#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyn n ARG 14 N 0.00 -0.97 0.26 5.56 1.74 -1.26 -4.74 116.66 117.25 1jyn n ARG 14 Ca 0.00 0.15 0.18 0.00 -0.77 0.00 0.00 57.85 57.41 1jyn n ARG 14 Cb 0.00 -3.31 0.90 0.00 -1.02 0.00 0.00 32.46 29.03 1jyn n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1jyn h ASP 15 N -2.17 0.00 -0.10 0.55 3.32 -1.95 -1.20 116.42 114.88 1jyn h ASP 15 Ca -0.68 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1jyn h ASP 15 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1jyn h ASP 15 CO 0.60 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.45 1jyn n TRP 16 N -2.78 0.14 -2.62 4.55 2.14 -1.26 -3.32 117.44 114.29 1jyn n TRP 16 Ca -0.02 -0.07 -0.12 0.00 2.07 0.00 0.00 57.50 59.36 1jyn n TRP 16 Cb 0.11 -0.01 0.03 0.00 -0.81 0.00 0.00 31.31 30.63 1jyn n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1jyn n GLU 17 N -0.19 1.72 -3.15 -2.67 1.02 -0.45 -0.93 120.64 115.99 1jyn n GLU 17 Ca 0.03 -3.55 0.04 0.00 -0.02 0.00 0.00 57.16 53.66 1jyn n GLU 17 Cb 0.10 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1jyn n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jyn s ASN 18 N -3.29 -1.55 0.00 1.62 2.47 -1.21 -4.78 114.94 108.21 1jyn s ASN 18 Ca 0.32 0.38 0.12 0.00 0.42 0.00 0.00 52.86 54.10 1jyn s ASN 18 Cb 0.43 2.06 0.62 0.00 -1.45 0.00 0.00 41.25 42.91 1jyn s ASN 18 CO -0.01 -0.28 1.31 -0.81 -3.72 0.00 0.00 177.10 173.59 1jyn n PRO 19 N 5.42 0.16 0.06 0.43 -0.04 -1.26 -0.81 135.00 138.96 1jyn n PRO 19 Ca 0.03 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 1jyn n PRO 19 Cb 0.53 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.91 1jyn n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jyn n GLY 20 N -0.23 -1.56 2.93 0.55 0.00 -1.26 -4.36 105.19 101.26 1jyn n GLY 20 Ca 0.06 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1jyn n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jyn s VAL 21 N -3.07 1.80 -1.33 1.61 1.01 0.01 -4.90 120.40 115.53 1jyn s VAL 21 Ca 0.11 -1.95 0.18 0.00 0.00 0.00 0.00 61.98 60.32 1jyn s VAL 21 Cb 0.15 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 1jyn s VAL 21 CO 0.61 -0.56 0.86 0.35 0.00 0.00 0.00 175.10 176.36 1jyn n THR 22 N 4.47 0.00 -3.59 3.92 -2.24 -1.26 -4.80 114.28 110.78 1jyn n THR 22 Ca 0.00 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 1jyn n THR 22 Cb 0.42 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 1jyn n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyn s GLN 23 N -2.33 0.56 -0.08 -0.78 1.03 -1.26 -1.43 119.66 115.36 1jyn s GLN 23 Ca 0.12 -0.24 -0.04 0.00 0.04 0.00 0.00 55.36 55.24 1jyn s GLN 23 Cb 0.14 0.24 0.04 0.00 0.03 0.00 0.00 33.01 33.46 1jyn s GLN 23 CO 0.57 -0.25 0.18 -0.51 -2.54 0.00 0.00 175.29 172.74 1jyn s LEU 24 N -2.47 0.41 -0.76 2.60 1.43 -0.36 -4.87 118.68 114.67 1jyn s LEU 24 Ca 0.09 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 1jyn s LEU 24 Cb -0.00 0.47 0.00 0.00 0.03 0.00 0.00 46.19 46.69 1jyn s LEU 24 CO -0.05 -0.18 0.00 0.59 0.23 0.00 0.00 176.35 176.94 1jyn n ASN 25 N 4.52 -4.99 -4.76 2.29 3.02 -1.26 -1.45 115.26 112.63 1jyn n ASN 25 Ca -0.20 0.18 -0.39 0.00 -0.03 0.00 0.00 54.58 54.13 1jyn n ASN 25 Cb 0.51 -3.12 -0.06 0.00 -0.61 0.00 0.00 39.78 36.51 1jyn n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1jyn s ARG 26 N -2.31 4.75 0.59 3.52 3.52 -1.26 -4.64 118.95 123.12 1jyn s ARG 26 Ca 0.00 1.50 -0.09 0.00 -0.13 0.00 0.00 55.73 57.01 1jyn s ARG 26 Cb 0.00 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1jyn s ARG 26 CO 0.00 0.41 0.97 -0.51 -0.81 0.00 0.00 175.30 175.35 1jyn s LEU 27 N -1.44 3.32 0.62 -0.88 1.43 -0.46 -5.01 118.68 116.26 1jyn s LEU 27 Ca 0.44 1.26 -0.18 0.00 -1.03 0.00 0.00 54.13 54.61 1jyn s LEU 27 Cb -0.25 -4.26 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 1jyn s LEU 27 CO 0.31 -0.82 1.12 0.00 0.23 0.00 0.00 176.35 177.19 1jyn n ALA 28 N -2.63 0.63 -1.87 4.21 0.00 -1.26 -4.66 120.51 114.93 1jyn n ALA 28 Ca 0.05 0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 1jyn n ALA 28 Cb 0.55 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 1jyn n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jyn s ALA 29 N -1.45 3.09 0.19 0.00 0.00 -1.26 -4.98 121.76 117.35 1jyn s ALA 29 Ca 0.78 0.17 -0.23 0.00 0.00 0.00 0.00 51.96 52.68 1jyn s ALA 29 Cb -0.40 -3.09 0.05 0.00 0.00 0.00 0.00 23.12 19.69 1jyn s ALA 29 CO 0.44 -0.18 0.91 -3.38 0.00 0.00 0.00 175.76 173.55 1jyn s HIS 30 N -2.56 -0.11 0.91 0.00 -3.43 -1.26 -4.86 115.29 103.98 1jyn s HIS 30 Ca 0.58 -0.26 -0.12 0.00 -0.80 0.00 0.00 55.06 54.47 1jyn s HIS 30 Cb -0.10 0.67 0.14 0.00 -1.43 0.00 0.00 32.58 31.86 1jyn s HIS 30 CO 0.30 -0.96 1.12 -2.14 -2.00 0.00 0.00 174.74 171.05 1jyn s PRO 31 N -3.27 1.16 0.12 -0.38 0.02 -1.17 -4.26 135.00 127.22 1jyn s PRO 31 Ca 0.13 0.43 -0.34 0.00 0.02 0.00 0.00 61.00 61.24 1jyn s PRO 31 Cb -0.03 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.53 1jyn s PRO 31 CO 0.04 -2.21 1.61 -2.30 -0.33 0.00 0.00 177.00 173.81 1jyn n PRO 32 N -3.80 2.08 -4.45 5.54 -0.02 -1.26 -4.98 135.00 128.12 1jyn n PRO 32 Ca 0.06 0.75 -0.24 0.00 -2.02 0.00 0.00 63.50 62.06 1jyn n PRO 32 Cb 0.58 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 1jyn n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1jyn s PHE 33 N 1.38 2.34 0.00 6.00 0.08 -1.26 -4.79 117.98 121.74 1jyn s PHE 33 Ca 0.81 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.55 1jyn s PHE 33 Cb -0.70 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 1jyn s PHE 33 CO 0.41 0.71 0.00 0.00 -0.10 0.00 0.00 175.22 176.23 1jyn n ALA 34 N -0.66 0.00 -3.98 5.36 0.00 -1.26 -5.05 120.51 114.92 1jyn n ALA 34 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1jyn n ALA 34 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1jyn n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jyn n SER 35 N 0.00 -3.10 -4.76 0.00 2.88 -1.26 -4.25 113.62 103.14 1jyn n SER 35 Ca 0.00 -1.17 -0.36 0.00 -1.33 0.00 0.00 58.87 56.01 1jyn n SER 35 Cb 0.04 -2.39 0.02 0.00 -0.75 0.00 0.00 64.21 61.13 1jyn n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1jyn s TRP 36 N -3.71 2.47 -0.17 0.66 0.51 -0.80 -4.56 118.94 113.35 1jyn s TRP 36 Ca 0.34 1.52 0.17 0.00 -2.12 0.00 0.00 56.10 56.00 1jyn s TRP 36 Cb -0.16 -3.43 0.43 0.00 -0.81 0.00 0.00 33.47 29.50 1jyn s TRP 36 CO 0.93 -2.04 1.31 0.54 -0.51 0.00 0.00 176.95 177.19 1jyn n ARG 37 N -1.48 2.14 -3.69 4.98 5.12 -1.26 -1.17 116.66 121.30 1jyn n ARG 37 Ca 0.13 -2.79 -0.14 0.00 -1.93 0.00 0.00 57.85 53.12 1jyn n ARG 37 Cb 0.50 -1.70 -0.14 0.00 -1.16 0.00 0.00 32.46 29.96 1jyn n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1jyn s ASN 38 N -2.40 0.25 0.42 0.55 3.84 -1.26 -4.98 114.94 111.36 1jyn s ASN 38 Ca 0.38 0.49 0.21 0.00 0.21 0.00 0.00 52.86 54.15 1jyn s ASN 38 Cb 0.32 0.48 0.91 0.00 -0.55 0.00 0.00 41.25 42.41 1jyn s ASN 38 CO 0.05 -0.21 1.84 0.28 -2.79 0.00 0.00 177.10 176.27 1jyn h SER 39 N 7.94 0.00 0.36 -4.21 0.02 -1.97 -2.78 113.55 112.90 1jyn h SER 39 Ca -0.23 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.52 1jyn h SER 39 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 1jyn h SER 39 CO 0.22 0.28 -0.81 -0.08 -1.14 0.00 0.00 176.83 175.30 1jyn h GLU 40 N 0.00 0.35 -0.36 3.45 4.57 -1.98 -0.54 114.58 120.07 1jyn h GLU 40 Ca -0.00 -0.32 -0.09 0.00 -1.18 0.00 0.00 59.36 57.76 1jyn h GLU 40 Cb 0.72 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 1jyn h GLU 40 CO 0.04 0.99 -0.14 0.93 -1.18 0.00 0.00 179.01 179.64 1jyn h GLU 41 N 0.22 0.65 -0.34 1.92 4.39 -1.90 -0.81 114.58 118.71 1jyn h GLU 41 Ca -0.05 -0.22 -0.16 0.00 0.34 0.00 0.00 59.36 59.28 1jyn h GLU 41 Cb 1.41 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1jyn h GLU 41 CO 0.14 0.77 -0.43 0.00 -1.16 0.00 0.00 179.01 178.33 1jyn h ALA 42 N 1.25 0.60 -0.86 3.43 0.00 -1.26 -1.19 119.26 121.23 1jyn h ALA 42 Ca 0.10 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1jyn h ALA 42 Cb 0.58 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1jyn h ALA 42 CO 0.04 0.68 0.56 -0.09 0.00 0.00 0.00 179.25 180.44 1jyn h ARG 43 N 0.69 1.14 -0.04 0.00 2.43 -0.59 -2.61 114.38 115.40 1jyn h ARG 43 Ca 0.05 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1jyn h ARG 43 Cb 1.01 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1jyn h ARG 43 CO 0.10 0.77 0.00 0.25 -1.51 0.00 0.00 179.97 179.58 1jyn n THR 44 N -4.47 0.04 -2.76 0.20 -2.24 -0.36 -4.93 114.28 99.76 1jyn n THR 44 Ca 0.09 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 1jyn n THR 44 Cb 0.02 0.38 0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1jyn n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jyn n ASP 45 N 0.09 -5.57 -4.88 3.42 2.03 -0.52 -4.98 116.55 106.14 1jyn n ASP 45 Ca 0.19 -0.19 -0.30 0.00 0.52 0.00 0.00 54.79 55.02 1jyn n ASP 45 Cb 0.33 -4.47 0.02 0.00 -0.72 0.00 0.00 41.12 36.28 1jyn n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1jyn s ARG 46 N -5.38 3.37 0.39 -0.67 0.52 -0.79 -4.99 118.95 111.40 1jyn s ARG 46 Ca 0.19 0.51 -0.27 0.00 -0.52 0.00 0.00 55.73 55.63 1jyn s ARG 46 Cb -0.08 -2.15 -0.11 0.00 0.52 0.00 0.00 34.95 33.13 1jyn s ARG 46 CO 0.24 -0.60 1.48 -2.30 0.02 0.00 0.00 175.30 174.13 1jyn n PRO 47 N -2.69 2.59 -4.20 3.54 -0.02 -1.26 -4.86 135.00 128.10 1jyn n PRO 47 Ca 0.05 0.91 -0.35 0.00 -2.02 0.00 0.00 63.50 62.09 1jyn n PRO 47 Cb 0.55 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.28 1jyn n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jyn s SER 48 N -0.20 5.40 0.30 2.55 0.15 -1.26 -4.96 113.70 115.68 1jyn s SER 48 Ca 0.55 0.10 0.25 0.00 0.70 0.00 0.00 55.95 57.55 1jyn s SER 48 Cb -0.47 -1.76 1.05 0.00 -1.71 0.00 0.00 66.02 63.13 1jyn s SER 48 CO 0.63 0.27 1.74 1.56 1.20 0.00 0.00 173.24 178.64 1jyn h GLN 49 N 5.97 0.00 -0.34 5.44 1.08 -1.91 -1.84 115.11 123.51 1jyn h GLN 49 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1jyn h GLN 49 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1jyn h GLN 49 CO 0.62 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 179.54 1jyn n GLN 50 N -2.33 1.92 -3.92 1.46 3.00 -1.26 -4.65 117.38 111.59 1jyn n GLN 50 Ca 0.02 -1.42 -0.30 0.00 -0.01 0.00 0.00 57.00 55.28 1jyn n GLN 50 Cb 0.22 -1.35 -0.15 0.00 0.00 0.00 0.00 30.24 28.95 1jyn n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1jyn s LEU 51 N -1.19 2.72 -0.01 1.08 2.96 -0.69 -1.43 118.68 122.11 1jyn s LEU 51 Ca 0.30 -1.32 0.00 0.00 -0.22 0.00 0.00 54.13 52.90 1jyn s LEU 51 Cb 0.16 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 1jyn s LEU 51 CO 0.22 -0.27 0.03 -0.13 -1.32 0.00 0.00 176.35 174.87 1jyn s ARG 52 N 1.38 2.90 -0.06 1.98 0.52 0.83 -4.72 118.95 121.78 1jyn s ARG 52 Ca -0.02 -0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 54.43 1jyn s ARG 52 Cb -0.19 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 1jyn s ARG 52 CO -0.08 0.64 0.59 0.45 0.02 0.00 0.00 175.30 176.92 1jyn s SER 53 N -1.55 6.89 -0.14 0.23 0.15 -1.26 -0.54 113.70 117.48 1jyn s SER 53 Ca 0.20 1.07 0.16 0.00 0.70 0.00 0.00 55.95 58.07 1jyn s SER 53 Cb -0.12 -2.36 0.64 0.00 -1.71 0.00 0.00 66.02 62.48 1jyn s SER 53 CO 0.11 -0.00 1.55 0.18 1.20 0.00 0.00 173.24 176.28 1jyn n LEU 54 N 3.36 4.51 -4.75 3.45 4.77 0.11 -4.91 117.00 123.54 1jyn n LEU 54 Ca -0.05 -2.65 -0.33 0.00 -0.03 0.00 0.00 56.01 52.94 1jyn n LEU 54 Cb 0.51 -0.55 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1jyn n LEU 54 CO 0.45 0.73 0.76 0.20 -1.33 0.00 0.00 177.39 178.19 1jyn s ASN 55 N -1.18 4.81 0.00 -1.43 0.01 -1.23 -4.85 114.94 111.07 1jyn s ASN 55 Ca 0.46 2.10 0.00 0.00 -0.71 0.00 0.00 52.86 54.71 1jyn s ASN 55 Cb 0.32 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1jyn s ASN 55 CO 0.17 -1.83 0.00 0.61 -1.51 0.00 0.00 177.10 174.54 1jyn n GLY 56 N -0.24 0.65 3.66 0.66 0.00 -0.05 -4.99 105.19 104.87 1jyn n GLY 56 Ca 0.11 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1jyn n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jyn s GLU 57 N -1.82 4.24 0.47 1.61 2.02 -1.26 -1.19 118.70 122.77 1jyn s GLU 57 Ca 0.00 1.27 0.05 0.00 0.02 0.00 0.00 54.97 56.30 1jyn s GLU 57 Cb 0.00 -3.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 1jyn s GLU 57 CO 0.00 -0.61 0.12 -1.58 0.02 0.00 0.00 175.26 173.21 1jyn s TRP 58 N 3.14 2.14 0.04 1.61 0.52 -0.06 -4.94 118.94 121.40 1jyn s TRP 58 Ca 0.42 -0.78 0.02 0.00 0.02 0.00 0.00 56.10 55.78 1jyn s TRP 58 Cb -0.15 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1jyn s TRP 58 CO 0.07 0.14 0.05 1.03 0.02 0.00 0.00 176.95 178.25 1jyn s ARG 59 N -3.92 2.85 -0.10 4.98 1.81 -0.35 -1.16 118.95 123.06 1jyn s ARG 59 Ca 0.26 -0.64 -0.12 0.00 -1.72 0.00 0.00 55.73 53.50 1jyn s ARG 59 Cb 0.03 -2.72 0.03 0.00 -0.45 0.00 0.00 34.95 31.84 1jyn s ARG 59 CO 0.14 0.60 0.33 0.12 -0.68 0.00 0.00 175.30 175.81 1jyn s PHE 60 N -1.26 -0.33 -0.01 -0.53 5.36 -0.06 -0.94 117.98 120.22 1jyn s PHE 60 Ca 0.25 0.77 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 1jyn s PHE 60 Cb -0.12 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.68 1jyn s PHE 60 CO 0.17 -0.22 -0.03 0.00 -1.46 0.00 0.00 175.22 173.67 1jyn s ALA 61 N -0.15 0.30 -0.09 11.12 0.00 -0.63 -0.93 121.76 131.39 1jyn s ALA 61 Ca -0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1jyn s ALA 61 Cb -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1jyn s ALA 61 CO 0.01 0.05 0.20 -0.46 0.00 0.00 0.00 175.76 175.56 1jyn s TRP 62 N 0.09 3.62 0.11 0.00 -0.00 -1.26 -0.13 118.94 121.37 1jyn s TRP 62 Ca -0.00 0.62 0.05 0.00 -0.00 0.00 0.00 56.10 56.76 1jyn s TRP 62 Cb -0.03 -2.01 -0.04 0.00 -0.00 0.00 0.00 33.47 31.40 1jyn s TRP 62 CO -0.00 0.71 -0.12 -0.06 -0.00 0.00 0.00 176.95 177.48 1jyn s PHE 63 N -1.06 1.20 -0.85 5.86 0.40 -0.02 -4.99 117.98 118.52 1jyn s PHE 63 Ca 0.18 -0.62 0.27 0.00 -0.60 0.00 0.00 56.93 56.16 1jyn s PHE 63 Cb -0.13 -0.64 0.92 0.00 0.51 0.00 0.00 43.02 43.67 1jyn s PHE 63 CO 0.07 0.06 1.77 -0.35 0.70 0.00 0.00 175.22 177.47 1jyn n PRO 64 N 0.53 0.14 -3.54 0.24 -0.04 -1.26 -0.99 135.00 130.08 1jyn n PRO 64 Ca -0.16 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 1jyn n PRO 64 Cb 0.57 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1jyn n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jyn s ALA 65 N -3.06 -1.84 0.49 0.55 0.00 -1.23 -0.96 121.76 115.71 1jyn s ALA 65 Ca 0.12 1.34 0.14 0.00 0.00 0.00 0.00 51.96 53.55 1jyn s ALA 65 Cb 0.15 -0.20 1.17 0.00 0.00 0.00 0.00 23.12 24.25 1jyn s ALA 65 CO 0.59 -0.42 2.12 -1.00 0.00 0.00 0.00 175.76 177.04 1jyn h PRO 66 N 2.56 0.09 0.00 0.00 0.13 -1.88 -1.17 132.00 131.73 1jyn h PRO 66 Ca -0.23 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1jyn h PRO 66 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jyn h PRO 66 CO 0.34 0.08 0.00 0.93 -0.23 0.00 0.00 178.00 179.12 1jyn h GLU 67 N 0.10 0.00 -0.11 0.86 3.07 -1.95 -1.78 114.58 114.76 1jyn h GLU 67 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1jyn h GLU 67 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1jyn h GLU 67 CO -0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1jyn n ALA 68 N -1.83 2.48 -2.63 3.43 0.00 -0.44 -4.88 120.51 116.64 1jyn n ALA 68 Ca -0.01 -0.68 -0.43 0.00 0.00 0.00 0.00 53.44 52.33 1jyn n ALA 68 Cb 0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 1jyn n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jyn s VAL 69 N -1.88 4.64 0.31 0.00 1.01 -0.67 -4.99 120.40 118.82 1jyn s VAL 69 Ca 0.33 1.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.95 1jyn s VAL 69 Cb 0.21 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 1jyn s VAL 69 CO 0.31 -0.03 1.34 -2.84 0.00 0.00 0.00 175.10 173.88 1jyn s PRO 70 N 2.27 4.33 0.52 2.72 0.02 -1.26 -4.91 135.00 138.70 1jyn s PRO 70 Ca 0.50 2.24 0.28 0.00 0.02 0.00 0.00 61.00 64.03 1jyn s PRO 70 Cb -0.19 -3.08 1.45 0.00 0.02 0.00 0.00 34.50 32.70 1jyn s PRO 70 CO 0.17 -0.25 2.07 0.93 -0.33 0.00 0.00 177.00 179.59 1jyn h GLU 71 N 3.78 0.00 -0.60 5.54 3.07 -1.98 -1.82 114.58 122.56 1jyn h GLU 71 Ca -0.48 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.52 1jyn h GLU 71 Cb 1.22 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.10 1jyn h GLU 71 CO 0.68 0.12 0.42 0.66 -1.40 0.00 0.00 179.01 179.48 1jyn h SER 72 N 0.00 0.19 -0.11 1.42 4.64 -1.93 -1.28 113.55 116.49 1jyn h SER 72 Ca -0.00 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1jyn h SER 72 Cb 0.35 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1jyn h SER 72 CO 0.01 0.11 0.15 -0.25 -0.87 0.00 0.00 176.83 175.98 1jyn h TRP 73 N 0.21 0.00 -0.03 4.77 7.01 -1.48 0.36 115.95 126.79 1jyn h TRP 73 Ca 0.29 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 61.17 1jyn h TRP 73 Cb 0.85 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.89 1jyn h TRP 73 CO -0.00 0.00 -0.53 -0.07 -2.79 0.00 0.00 178.44 175.04 1jyn h LEU 74 N 0.00 0.11 0.01 0.65 3.38 -1.42 -3.26 115.31 114.78 1jyn h LEU 74 Ca 0.05 -0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 1jyn h LEU 74 Cb 0.35 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1jyn h LEU 74 CO -0.00 0.62 -2.20 -0.62 0.09 0.00 0.00 178.44 176.33 1jyn n GLU 75 N -3.91 0.68 -3.51 1.13 -0.58 -0.67 -3.45 120.64 110.32 1jyn n GLU 75 Ca -0.02 0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.72 1jyn n GLU 75 Cb 0.55 -1.60 -0.04 0.00 -0.57 0.00 0.00 31.44 29.78 1jyn n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jyn n ASP 77 N -0.03 1.34 -4.71 0.00 2.03 -1.26 -4.11 116.55 109.80 1jyn n ASP 77 Ca -0.17 1.18 -0.39 0.00 0.52 0.00 0.00 54.79 55.92 1jyn n ASP 77 Cb 0.63 -1.29 -0.06 0.00 -0.72 0.00 0.00 41.12 39.69 1jyn n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jyn s LEU 78 N 0.46 4.26 0.49 -2.67 1.43 -1.26 -4.92 118.68 116.48 1jyn s LEU 78 Ca 0.60 0.93 0.16 0.00 -1.03 0.00 0.00 54.13 54.80 1jyn s LEU 78 Cb -0.71 -2.86 1.20 0.00 0.03 0.00 0.00 46.19 43.85 1jyn s LEU 78 CO 0.59 -0.09 2.09 -0.65 0.23 0.00 0.00 176.35 178.52 1jyn h PRO 79 N 6.89 0.13 0.00 1.29 0.11 -2.03 0.94 132.00 139.33 1jyn h PRO 79 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1jyn h PRO 79 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jyn h PRO 79 CO 0.76 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 179.02 1jyn n GLU 80 N -4.49 0.20 -0.89 1.05 4.71 -1.26 -4.84 120.64 115.12 1jyn n GLU 80 Ca 0.02 0.34 -0.30 0.00 -0.01 0.00 0.00 57.16 57.21 1jyn n GLU 80 Cb 0.21 -1.83 0.16 0.00 -1.01 0.00 0.00 31.44 28.98 1jyn n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jyn s ALA 81 N -3.23 1.31 0.35 0.62 0.00 0.32 -4.94 121.76 116.19 1jyn s ALA 81 Ca 0.07 0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.38 1jyn s ALA 81 Cb 0.10 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1jyn s ALA 81 CO 0.45 -2.67 0.15 -0.51 0.00 0.00 0.00 175.76 173.19 1jyn s ASP 82 N -2.94 4.68 -0.23 0.00 1.01 -0.10 -4.88 116.67 114.21 1jyn s ASP 82 Ca 0.65 -0.79 -0.14 0.00 0.71 0.00 0.00 52.55 52.99 1jyn s ASP 82 Cb -0.21 -0.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.97 1jyn s ASP 82 CO 0.58 -0.32 0.31 -0.89 0.21 0.00 0.00 175.17 175.06 1jyn s THR 83 N -2.44 5.25 0.15 -1.27 2.01 -1.26 -0.88 115.64 117.20 1jyn s THR 83 Ca 0.38 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.88 1jyn s THR 83 Cb -0.02 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1jyn s THR 83 CO 0.23 0.27 0.00 0.68 -0.69 0.00 0.00 174.62 175.11 1jyn s VAL 84 N 1.37 0.55 0.16 3.82 -7.23 -0.31 -4.95 120.40 113.81 1jyn s VAL 84 Ca 0.14 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.19 1jyn s VAL 84 Cb -0.15 -2.01 -0.07 0.00 0.56 0.00 0.00 36.38 34.71 1jyn s VAL 84 CO 0.07 -0.56 0.60 -0.69 -0.31 0.00 0.00 175.10 174.22 1jyn s VAL 85 N -3.74 4.76 -0.03 1.32 1.01 -1.26 -0.88 120.40 121.57 1jyn s VAL 85 Ca 0.21 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.23 1jyn s VAL 85 Cb 0.06 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1jyn s VAL 85 CO 0.02 0.26 -0.13 -0.69 0.00 0.00 0.00 175.10 174.56 1jyn s VAL 86 N -1.45 1.08 0.57 2.92 1.01 -0.33 -4.15 120.40 120.06 1jyn s VAL 86 Ca 0.39 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1jyn s VAL 86 Cb -0.16 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1jyn s VAL 86 CO 0.20 0.32 1.11 -2.16 0.00 0.00 0.00 175.10 174.57 1jyn s PRO 87 N 0.12 3.24 0.09 2.72 0.04 -1.26 -0.87 135.00 139.07 1jyn s PRO 87 Ca -0.03 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 1jyn s PRO 87 Cb -0.10 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.52 1jyn s PRO 87 CO 0.01 -0.92 0.92 -1.54 0.04 0.00 0.00 177.00 175.51 1jyn s SER 88 N -2.11 -0.27 -0.17 6.66 1.04 -0.15 -4.93 113.70 113.78 1jyn s SER 88 Ca 0.70 -0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.87 1jyn s SER 88 Cb -0.22 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 1jyn s SER 88 CO 0.31 -0.79 -0.03 0.20 0.98 0.00 0.00 173.24 173.91 1jyn s ASN 89 N -2.74 4.77 0.62 7.02 -0.87 -1.26 -3.23 114.94 119.25 1jyn s ASN 89 Ca 0.09 -0.16 0.40 0.00 -1.57 0.00 0.00 52.86 51.63 1jyn s ASN 89 Cb -0.01 -1.79 2.04 0.00 -0.02 0.00 0.00 41.25 41.47 1jyn s ASN 89 CO -0.03 0.14 2.23 4.11 -2.57 0.00 0.00 177.10 180.98 1jyn h TRP 90 N 6.90 0.00 -0.04 2.20 0.09 -1.75 -0.14 115.95 123.21 1jyn h TRP 90 Ca -0.32 0.00 -0.08 0.00 0.09 0.00 0.00 58.89 58.58 1jyn h TRP 90 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.42 1jyn h TRP 90 CO 0.54 0.00 -0.33 1.96 0.09 0.00 0.00 178.44 180.70 1jyn h GLN 91 N 0.00 0.07 0.00 0.12 7.50 -1.80 -2.25 115.11 118.75 1jyn h GLN 91 Ca -0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1jyn h GLN 91 Cb 0.19 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.72 1jyn h GLN 91 CO 0.00 0.40 0.00 -1.33 -1.50 0.00 0.00 178.83 176.40 1jyn n MET 92 N -4.12 0.07 0.00 1.46 2.81 -0.06 -2.20 117.12 115.07 1jyn n MET 92 Ca -0.02 0.18 0.12 0.00 -1.81 0.00 0.00 57.70 56.17 1jyn n MET 92 Cb 0.39 -1.61 0.16 0.00 -0.71 0.00 0.00 33.22 31.45 1jyn n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1jyn n HIS 93 N -1.74 0.00 -0.41 2.03 8.25 -0.87 -4.98 115.22 117.51 1jyn n HIS 93 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1jyn n HIS 93 Cb 0.29 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.35 1jyn n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jyn n GLY 94 N 1.38 0.76 0.28 -1.41 0.00 -0.94 -4.98 105.19 100.28 1jyn n GLY 94 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1jyn n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jyn h TYR 95 N 0.00 0.72 -3.33 1.61 0.05 -1.71 -3.46 116.97 110.85 1jyn h TYR 95 Ca 0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 1jyn h TYR 95 Cb 0.00 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.48 1jyn h TYR 95 CO 0.00 0.69 0.07 0.16 -1.05 0.00 0.00 178.16 178.03 1jyn s ASP 96 N -6.69 -0.09 0.03 3.88 1.47 -1.26 -5.03 116.67 108.98 1jyn s ASP 96 Ca -0.09 -0.86 -0.10 0.00 1.18 0.00 0.00 52.55 52.69 1jyn s ASP 96 Cb 0.15 0.68 -0.05 0.00 -0.34 0.00 0.00 42.92 43.36 1jyn s ASP 96 CO 0.79 -1.31 0.34 0.00 0.68 0.00 0.00 175.17 175.68 1jyn s ALA 97 N -3.71 3.77 0.51 2.11 0.00 -1.26 -4.35 121.76 118.83 1jyn s ALA 97 Ca 0.17 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.52 1jyn s ALA 97 Cb -0.03 -2.21 -0.08 0.00 0.00 0.00 0.00 23.12 20.80 1jyn s ALA 97 CO 0.09 0.58 1.03 -1.25 0.00 0.00 0.00 175.76 176.21 1jyn s PRO 98 N -1.65 3.75 -0.09 0.00 0.04 -1.26 -4.99 135.00 130.80 1jyn s PRO 98 Ca 0.28 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1jyn s PRO 98 Cb -0.14 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 1jyn s PRO 98 CO 0.16 -0.46 -0.19 0.42 0.04 0.00 0.00 177.00 176.97 1jyn s ILE 99 N -2.19 2.61 -0.38 0.56 1.01 -0.91 -4.69 121.20 117.21 1jyn s ILE 99 Ca 0.65 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 1jyn s ILE 99 Cb -0.15 -2.02 0.08 0.00 0.01 0.00 0.00 42.46 40.38 1jyn s ILE 99 CO 0.24 0.56 0.16 -0.47 0.00 0.00 0.00 174.94 175.43 1jyn s TYR 100 N -0.03 3.39 -0.00 3.97 5.04 -1.26 -0.57 117.35 127.88 1jyn s TYR 100 Ca -0.05 -1.88 0.04 0.00 -2.44 0.00 0.00 57.07 52.73 1jyn s TYR 100 Cb -0.14 -2.77 -0.01 0.00 0.35 0.00 0.00 41.96 39.39 1jyn s TYR 100 CO 0.04 -0.86 -0.12 -0.08 -1.34 0.00 0.00 175.55 173.19 1jyn s THR 101 N 1.29 0.95 0.00 4.34 -1.32 -1.26 -0.99 115.64 118.65 1jyn s THR 101 Ca 0.02 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 1jyn s THR 101 Cb -0.22 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1jyn s THR 101 CO -0.01 0.24 0.00 -3.20 -2.21 0.00 0.00 174.62 169.44 1jyn n ASN 102 N 2.71 0.00 -0.10 8.08 5.15 -1.26 -4.02 115.26 125.82 1jyn n ASN 102 Ca -0.14 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.65 1jyn n ASN 102 Cb 0.56 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.71 1jyn n ASN 102 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1jyn h VAL 103 N 0.00 0.82 -2.18 3.44 2.07 -1.94 -3.36 116.25 115.10 1jyn h VAL 103 Ca 0.00 -2.00 -0.59 0.00 0.82 0.00 0.00 66.70 64.93 1jyn h VAL 103 Cb 0.00 1.93 0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1jyn h VAL 103 CO 0.00 0.28 0.93 0.41 0.02 0.00 0.00 177.57 179.21 1jyn n THR 104 N -4.47 0.25 -1.82 2.57 -1.04 -1.26 -3.32 114.28 105.18 1jyn n THR 104 Ca -0.27 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.32 1jyn n THR 104 Cb 0.60 -1.70 0.04 0.00 -1.82 0.00 0.00 70.33 67.46 1jyn n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1jyn s TYR 105 N 2.25 2.30 -1.54 -1.42 2.02 -1.26 -4.85 117.35 114.85 1jyn s TYR 105 Ca 0.84 1.40 0.24 0.00 -0.37 0.00 0.00 57.07 59.18 1jyn s TYR 105 Cb -0.68 -3.75 1.24 0.00 -0.40 0.00 0.00 41.96 38.37 1jyn s TYR 105 CO 0.43 -2.80 1.78 -0.35 -1.57 0.00 0.00 175.55 173.05 1jyn n PRO 106 N -1.10 0.42 -4.36 -1.71 -0.04 -1.26 -4.73 135.00 122.21 1jyn n PRO 106 Ca 0.11 0.05 -0.19 0.00 -0.04 0.00 0.00 63.50 63.43 1jyn n PRO 106 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1jyn n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1jyn s ILE 107 N -2.46 1.55 0.37 0.52 -4.36 -1.26 -5.06 121.20 110.50 1jyn s ILE 107 Ca 0.25 -2.14 -0.28 0.00 -0.26 0.00 0.00 60.65 58.22 1jyn s ILE 107 Cb 0.16 -2.21 -0.11 0.00 1.25 0.00 0.00 42.46 41.54 1jyn s ILE 107 CO 0.34 -0.46 1.50 0.41 0.24 0.00 0.00 174.94 176.96 1jyn n THR 108 N -0.44 1.96 -2.66 8.37 -1.04 -1.26 -4.89 114.28 114.31 1jyn n THR 108 Ca -0.07 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.05 61.03 1jyn n THR 108 Cb 0.62 -1.98 -0.03 0.00 -1.82 0.00 0.00 70.33 67.12 1jyn n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1jyn s VAL 109 N -1.07 4.05 -0.43 12.58 1.01 -1.26 -4.79 120.40 130.49 1jyn s VAL 109 Ca 0.54 0.49 0.08 0.00 0.00 0.00 0.00 61.98 63.08 1jyn s VAL 109 Cb -0.48 -4.73 0.34 0.00 0.00 0.00 0.00 36.38 31.51 1jyn s VAL 109 CO 0.63 -1.45 1.03 -3.20 0.00 0.00 0.00 175.10 172.12 1jyn n ASN 110 N 8.39 -1.41 -4.68 3.32 5.15 -1.26 -5.12 115.26 119.66 1jyn n ASN 110 Ca 0.04 -3.43 -0.41 0.00 -0.60 0.00 0.00 54.58 50.19 1jyn n ASN 110 Cb 0.48 1.16 0.02 0.00 -0.53 0.00 0.00 39.78 40.91 1jyn n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1jyn n PRO 111 N 0.27 1.70 -0.77 1.20 -0.04 -1.26 -0.76 135.00 135.34 1jyn n PRO 111 Ca 0.10 0.61 0.04 0.00 -0.04 0.00 0.00 63.50 64.21 1jyn n PRO 111 Cb 0.70 -2.30 0.32 0.00 -0.04 0.00 0.00 33.50 32.19 1jyn n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1jyn n PRO 112 N -0.08 4.09 -2.21 0.54 -0.04 -1.26 -5.10 135.00 130.94 1jyn n PRO 112 Ca 0.08 -2.62 -0.31 0.00 -0.04 0.00 0.00 63.50 60.62 1jyn n PRO 112 Cb 0.40 -2.13 -0.01 0.00 -0.04 0.00 0.00 33.50 31.72 1jyn n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jyn s PHE 113 N -2.49 3.55 0.30 0.54 0.08 0.06 -4.30 117.98 115.73 1jyn s PHE 113 Ca 0.46 1.27 0.04 0.00 0.12 0.00 0.00 56.93 58.81 1jyn s PHE 113 Cb 0.35 -2.67 -0.06 0.00 -0.57 0.00 0.00 43.02 40.07 1jyn s PHE 113 CO 0.13 -0.49 0.03 0.14 -0.10 0.00 0.00 175.22 174.93 1jyn s VAL 114 N -2.89 1.26 0.66 -0.44 -7.23 -1.26 -4.54 120.40 105.96 1jyn s VAL 114 Ca 0.55 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.52 1jyn s VAL 114 Cb -0.11 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1jyn s VAL 114 CO 0.44 -0.11 1.24 -2.65 -0.31 0.00 0.00 175.10 173.71 1jyn n PRO 115 N -0.63 1.00 0.08 4.82 -0.02 -1.26 -4.91 135.00 134.08 1jyn n PRO 115 Ca -0.03 0.40 -0.07 0.00 -2.02 0.00 0.00 63.50 61.78 1jyn n PRO 115 Cb 0.66 -2.47 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 1jyn n PRO 115 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1jyn h THR 116 N 0.39 1.42 -2.18 3.45 1.35 -2.00 -3.34 112.91 112.00 1jyn h THR 116 Ca -0.50 -2.19 -0.58 0.00 -0.55 0.00 0.00 66.41 62.59 1jyn h THR 116 Cb 1.34 2.15 -0.10 0.00 -1.73 0.00 0.00 68.15 69.81 1jyn h THR 116 CO 0.52 0.64 1.03 -1.61 -0.25 0.00 0.00 175.52 175.85 1jyn s GLU 117 N -3.58 3.27 -0.38 4.72 2.02 -1.26 -4.74 118.70 118.75 1jyn s GLU 117 Ca -0.04 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.36 1jyn s GLU 117 Cb 0.11 -4.46 0.11 0.00 0.10 0.00 0.00 34.13 30.00 1jyn s GLU 117 CO 0.81 -2.07 0.14 1.21 0.02 0.00 0.00 175.26 175.37 1jyn s ASN 118 N 3.96 4.21 0.00 -0.19 2.47 -0.14 -5.00 114.94 120.26 1jyn s ASN 118 Ca 0.34 -2.25 -0.38 0.00 0.42 0.00 0.00 52.86 51.00 1jyn s ASN 118 Cb -0.08 -1.26 -0.17 0.00 -1.45 0.00 0.00 41.25 38.29 1jyn s ASN 118 CO 0.08 -0.34 1.38 -2.65 -3.72 0.00 0.00 177.10 171.84 1jyn n PRO 119 N 4.09 0.96 -4.71 0.43 -0.02 -1.23 -3.48 135.00 131.03 1jyn n PRO 119 Ca 0.03 0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 1jyn n PRO 119 Cb 0.39 -1.97 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 1jyn n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jyn s THR 120 N 0.97 1.74 -0.20 3.45 2.01 -0.16 -1.15 115.64 122.30 1jyn s THR 120 Ca 0.88 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 1jyn s THR 120 Cb -1.03 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1jyn s THR 120 CO 0.52 0.49 0.03 -0.83 -0.69 0.00 0.00 174.62 174.14 1jyn s GLY 121 N 0.74 1.79 -0.42 4.40 0.00 0.06 -0.84 107.32 113.06 1jyn s GLY 121 Ca -0.11 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 1jyn s GLY 121 CO 0.02 0.18 0.29 0.00 0.00 0.00 0.00 173.10 173.59 1jyn s TYR 123 N 1.55 3.03 0.12 0.00 1.51 -0.18 -1.60 117.35 121.78 1jyn s TYR 123 Ca 0.03 -0.06 -0.17 0.00 -1.01 0.00 0.00 57.07 55.85 1jyn s TYR 123 Cb -0.22 -1.46 0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1jyn s TYR 123 CO 0.05 0.52 0.43 -1.54 -1.11 0.00 0.00 175.55 173.90 1jyn s SER 124 N -3.07 -0.28 -0.16 2.29 1.04 -0.11 -0.09 113.70 113.32 1jyn s SER 124 Ca 0.30 -0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.38 1jyn s SER 124 Cb -0.10 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1jyn s SER 124 CO 0.22 -0.85 0.39 -0.22 0.98 0.00 0.00 173.24 173.76 1jyn s LEU 125 N -2.72 0.16 -0.21 2.42 2.96 -0.36 -1.22 118.68 119.72 1jyn s LEU 125 Ca 0.02 0.82 -0.08 0.00 -0.22 0.00 0.00 54.13 54.67 1jyn s LEU 125 Cb 0.01 1.29 -0.04 0.00 0.50 0.00 0.00 46.19 47.95 1jyn s LEU 125 CO -0.11 -0.17 0.09 -0.89 -1.32 0.00 0.00 176.35 173.95 1jyn s THR 126 N 0.97 4.90 0.23 3.68 2.01 -1.26 -0.55 115.64 125.62 1jyn s THR 126 Ca -0.06 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 1jyn s THR 126 Cb -0.07 -3.24 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 1jyn s THR 126 CO -0.08 0.41 0.44 0.72 -0.69 0.00 0.00 174.62 175.42 1jyn s PHE 127 N 0.75 0.34 0.13 4.92 -0.71 0.14 -4.93 117.98 118.63 1jyn s PHE 127 Ca 0.05 -0.70 -0.05 0.00 -1.04 0.00 0.00 56.93 55.19 1jyn s PHE 127 Cb -0.13 0.15 -0.06 0.00 -1.21 0.00 0.00 43.02 41.77 1jyn s PHE 127 CO 0.02 -0.93 0.38 1.21 -1.34 0.00 0.00 175.22 174.55 1jyn s ASN 128 N -3.00 6.51 -0.06 1.98 2.47 -1.26 0.27 114.94 121.86 1jyn s ASN 128 Ca 0.21 0.62 0.01 0.00 0.42 0.00 0.00 52.86 54.11 1jyn s ASN 128 Cb 0.00 -2.10 0.02 0.00 -1.45 0.00 0.00 41.25 37.72 1jyn s ASN 128 CO 0.07 0.07 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.77 1jyn s VAL 129 N -1.61 0.71 0.23 -5.21 1.01 0.14 -4.95 120.40 110.71 1jyn s VAL 129 Ca 0.39 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1jyn s VAL 129 Cb -0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1jyn s VAL 129 CO 0.23 0.27 1.15 -1.81 0.00 0.00 0.00 175.10 174.94 1jyn s ASP 130 N 0.96 7.17 0.56 3.32 1.01 -1.26 -0.59 116.67 127.85 1jyn s ASP 130 Ca -0.10 2.24 0.25 0.00 0.71 0.00 0.00 52.55 55.66 1jyn s ASP 130 Cb -0.14 -2.62 1.57 0.00 1.01 0.00 0.00 42.92 42.74 1jyn s ASP 130 CO 0.00 -0.27 2.14 -0.08 0.21 0.00 0.00 175.17 177.17 1jyn h GLU 131 N 4.59 0.00 0.00 8.23 4.57 -1.94 0.12 114.58 130.15 1jyn h GLU 131 Ca -0.46 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1jyn h GLU 131 Cb 1.21 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1jyn h GLU 131 CO 0.71 0.00 -0.05 0.66 -1.18 0.00 0.00 179.01 179.15 1jyn h SER 132 N 0.00 0.00 1.82 1.04 4.64 -1.98 0.43 113.55 119.50 1jyn h SER 132 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1jyn h SER 132 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1jyn h SER 132 CO -0.00 0.05 0.00 -0.50 -0.87 0.00 0.00 176.83 175.51 1jyn h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.04 -3.34 115.95 120.40 1jyn h TRP 133 Ca -0.00 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.82 1jyn h TRP 133 Cb 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 1jyn h TRP 133 CO 0.00 0.00 -1.89 1.28 -3.56 0.00 0.00 178.44 174.27 1jyn n LEU 134 N -2.85 0.00 0.26 -4.49 4.77 -0.12 -4.39 117.00 110.17 1jyn n LEU 134 Ca 0.04 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.19 1jyn n LEU 134 Cb 0.50 0.18 0.68 0.00 -2.33 0.00 0.00 43.42 42.45 1jyn n LEU 134 CO 0.33 0.18 0.98 0.06 -1.33 0.00 0.00 177.39 177.61 1jyn h GLN 135 N 0.00 0.00 -3.06 3.23 3.07 -0.36 -3.45 115.11 114.54 1jyn h GLN 135 Ca -0.20 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.56 1jyn h GLN 135 Cb 1.32 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.79 1jyn h GLN 135 CO 0.01 0.00 0.18 -1.83 0.09 0.00 0.00 178.83 177.28 1jyn s GLU 136 N -3.64 1.52 1.05 0.06 -1.05 -1.26 -5.12 118.70 110.27 1jyn s GLU 136 Ca 0.01 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1jyn s GLU 136 Cb 0.09 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.37 1jyn s GLU 136 CO 0.51 -0.68 0.00 0.41 0.95 0.00 0.00 175.26 176.45 1jyn n GLY 137 N -0.41 -1.84 3.21 -3.83 0.00 -1.26 -4.76 105.19 96.30 1jyn n GLY 137 Ca -0.10 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1jyn n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jyn s GLN 138 N -0.28 2.30 -0.22 1.61 0.74 0.18 -4.82 119.66 119.16 1jyn s GLN 138 Ca 0.00 -0.78 -0.03 0.00 0.05 0.00 0.00 55.36 54.59 1jyn s GLN 138 Cb 0.00 -1.94 -0.00 0.00 1.10 0.00 0.00 33.01 32.17 1jyn s GLN 138 CO 0.00 0.31 -0.05 0.99 -0.55 0.00 0.00 175.29 175.98 1jyn s THR 139 N -0.03 3.26 0.30 -0.34 2.01 -1.26 -0.85 115.64 118.74 1jyn s THR 139 Ca -0.05 -0.57 0.11 0.00 0.31 0.00 0.00 61.69 61.48 1jyn s THR 139 Cb -0.13 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 1jyn s THR 139 CO 0.04 0.40 -0.15 0.00 -0.69 0.00 0.00 174.62 174.22 1jyn s ARG 140 N 1.45 1.78 0.00 4.92 1.70 -0.05 -0.59 118.95 128.17 1jyn s ARG 140 Ca 0.05 -1.78 0.04 0.00 -0.47 0.00 0.00 55.73 53.57 1jyn s ARG 140 Cb -0.14 -1.79 -0.03 0.00 -0.57 0.00 0.00 34.95 32.41 1jyn s ARG 140 CO -0.04 0.27 -0.09 -1.50 -1.08 0.00 0.00 175.30 172.86 1jyn s ILE 141 N -2.52 3.45 -0.14 4.99 2.07 -0.39 -1.03 121.20 127.63 1jyn s ILE 141 Ca 0.31 -0.82 0.01 0.00 -1.41 0.00 0.00 60.65 58.73 1jyn s ILE 141 Cb -0.03 -2.48 0.02 0.00 0.13 0.00 0.00 42.46 40.11 1jyn s ILE 141 CO 0.16 0.41 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.83 1jyn s ILE 142 N -0.95 1.55 -0.46 2.00 1.01 0.12 -1.30 121.20 123.17 1jyn s ILE 142 Ca 0.16 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 1jyn s ILE 142 Cb -0.11 -1.45 0.07 0.00 0.01 0.00 0.00 42.46 40.98 1jyn s ILE 142 CO 0.06 0.45 0.36 -0.36 0.00 0.00 0.00 174.94 175.45 1jyn s PHE 143 N 1.41 3.27 0.39 3.97 0.40 0.32 -1.40 117.98 126.35 1jyn s PHE 143 Ca 0.03 -1.07 0.22 0.00 -0.60 0.00 0.00 56.93 55.50 1jyn s PHE 143 Cb -0.13 -3.09 1.17 0.00 0.51 0.00 0.00 43.02 41.48 1jyn s PHE 143 CO -0.09 -0.80 1.99 -0.44 0.70 0.00 0.00 175.22 176.57 1jyn h ASP 144 N 8.66 0.00 -1.60 1.36 3.32 -0.62 0.12 116.42 127.66 1jyn h ASP 144 Ca -0.27 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.88 1jyn h ASP 144 Cb 1.10 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 1jyn h ASP 144 CO 0.84 0.19 -0.09 -0.83 -1.72 0.00 0.00 179.24 177.63 1jyn s GLY 145 N -4.22 -0.69 -0.12 2.75 0.00 -1.26 -3.38 107.32 100.40 1jyn s GLY 145 Ca -0.03 2.37 -0.01 0.00 0.00 0.00 0.00 44.72 47.06 1jyn s GLY 145 CO 0.64 3.18 -0.04 0.14 0.00 0.00 0.00 173.10 177.02 1jyn s VAL 146 N 2.83 0.82 -0.28 1.40 1.01 -1.25 -1.78 120.40 123.14 1jyn s VAL 146 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1jyn s VAL 146 Cb -0.12 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.34 1jyn s VAL 146 CO -0.19 0.24 0.01 0.21 0.00 0.00 0.00 175.10 175.38 1jyn s ASN 147 N 1.78 4.79 -0.00 3.32 3.84 -0.24 -3.96 114.94 124.46 1jyn s ASN 147 Ca 0.04 -0.93 0.06 0.00 0.21 0.00 0.00 52.86 52.23 1jyn s ASN 147 Cb -0.13 -1.76 -0.07 0.00 -0.55 0.00 0.00 41.25 38.73 1jyn s ASN 147 CO -0.07 -0.20 0.20 -1.54 -2.79 0.00 0.00 177.10 172.70 1jyn n SER 148 N 4.74 1.52 -3.47 -4.21 3.41 -0.70 -0.13 113.62 114.78 1jyn n SER 148 Ca -0.15 -0.40 -0.13 0.00 -0.26 0.00 0.00 58.87 57.93 1jyn n SER 148 Cb 0.46 1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 65.48 1jyn n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyn s ALA 149 N -1.87 -1.57 0.03 7.33 0.00 -1.17 -3.93 121.76 120.59 1jyn s ALA 149 Ca 0.01 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 1jyn s ALA 149 Cb 0.04 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.90 1jyn s ALA 149 CO 0.24 -0.66 0.66 -0.59 0.00 0.00 0.00 175.76 175.41 1jyn s PHE 150 N -3.16 -0.60 0.05 0.00 -0.71 -0.77 -0.84 117.98 111.95 1jyn s PHE 150 Ca -0.02 0.79 0.02 0.00 -1.04 0.00 0.00 56.93 56.68 1jyn s PHE 150 Cb -0.01 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 1jyn s PHE 150 CO -0.08 -0.69 0.07 -1.01 -1.34 0.00 0.00 175.22 172.17 1jyn s HIS 151 N -2.22 3.20 -0.03 3.49 3.76 -0.71 -1.47 115.29 121.31 1jyn s HIS 151 Ca -0.06 0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.00 1jyn s HIS 151 Cb -0.00 -1.66 -0.00 0.00 1.11 0.00 0.00 32.58 32.03 1jyn s HIS 151 CO 0.00 0.52 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.11 1jyn s LEU 152 N -2.10 1.88 0.08 0.89 2.96 -0.54 -1.21 118.68 120.63 1jyn s LEU 152 Ca 0.26 -0.27 0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1jyn s LEU 152 Cb -0.12 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 1jyn s LEU 152 CO 0.18 0.12 -0.19 0.26 -1.32 0.00 0.00 176.35 175.41 1jyn s TRP 153 N 0.05 1.59 -0.10 5.38 0.51 -0.04 -0.17 118.94 126.17 1jyn s TRP 153 Ca -0.02 -0.41 -0.01 0.00 -2.12 0.00 0.00 56.10 53.54 1jyn s TRP 153 Cb -0.10 -0.90 0.03 0.00 -0.81 0.00 0.00 33.47 31.69 1jyn s TRP 153 CO 0.01 0.13 -0.03 0.00 -0.51 0.00 0.00 176.95 176.55 1jyn n ASN 155 N 5.05 -5.95 0.00 0.00 3.02 0.52 -1.53 115.26 116.37 1jyn n ASN 155 Ca -0.10 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1jyn n ASN 155 Cb 0.50 -4.76 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 1jyn n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jyn n GLY 156 N -1.69 2.07 3.69 7.41 0.00 -1.22 -5.01 105.19 110.44 1jyn n GLY 156 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1jyn n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jyn s ARG 157 N -0.10 3.24 0.13 1.61 0.52 -0.58 -4.91 118.95 118.86 1jyn s ARG 157 Ca 0.00 -0.37 -0.31 0.00 -0.52 0.00 0.00 55.73 54.53 1jyn s ARG 157 Cb 0.00 -2.92 -0.08 0.00 0.52 0.00 0.00 34.95 32.47 1jyn s ARG 157 CO 0.00 0.62 1.38 -0.46 0.02 0.00 0.00 175.30 176.86 1jyn s TRP 158 N -0.64 3.24 -0.20 -0.53 -0.00 -1.26 -0.54 118.94 119.02 1jyn s TRP 158 Ca 0.11 1.00 -0.14 0.00 -0.00 0.00 0.00 56.10 57.07 1jyn s TRP 158 Cb -0.12 -3.67 -0.08 0.00 -0.00 0.00 0.00 33.47 29.60 1jyn s TRP 158 CO 0.02 -2.30 -0.31 0.28 -0.00 0.00 0.00 176.95 174.64 1jyn n VAL 159 N 3.67 1.41 -3.96 5.86 0.31 0.76 -4.91 118.33 121.47 1jyn n VAL 159 Ca 0.10 -0.09 0.01 0.00 -0.01 0.00 0.00 64.34 64.36 1jyn n VAL 159 Cb 0.42 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1jyn n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jyn n GLY 160 N 1.58 0.42 3.13 2.92 0.00 -1.16 -4.71 105.19 107.37 1jyn n GLY 160 Ca -0.30 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1jyn n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jyn s TYR 161 N -2.35 0.11 0.03 1.61 5.04 -0.53 -1.47 117.35 119.78 1jyn s TYR 161 Ca 0.06 -0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 54.20 1jyn s TYR 161 Cb -0.00 -0.08 0.03 0.00 0.35 0.00 0.00 41.96 42.26 1jyn s TYR 161 CO -0.00 -0.36 0.38 0.20 -1.34 0.00 0.00 175.55 174.42 1jyn s GLY 162 N -1.89 -0.22 0.34 8.97 0.00 -0.54 -1.22 107.32 112.76 1jyn s GLY 162 Ca -0.08 0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.95 1jyn s GLY 162 CO -0.02 0.03 0.12 1.20 0.00 0.00 0.00 173.10 174.43 1jyn s GLN 163 N -2.22 1.72 0.00 2.90 -0.21 -0.52 -1.84 119.66 119.49 1jyn s GLN 163 Ca -0.07 -2.00 0.00 0.00 0.02 0.00 0.00 55.36 53.31 1jyn s GLN 163 Cb -0.02 -0.49 0.00 0.00 1.00 0.00 0.00 33.01 33.50 1jyn s GLN 163 CO -0.01 -0.38 0.00 -3.47 -2.12 0.00 0.00 175.29 169.31 1jyn n ASP 164 N -0.97 -1.55 0.00 5.90 -0.08 -1.25 -4.92 116.55 113.67 1jyn n ASP 164 Ca -0.02 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.34 1jyn n ASP 164 Cb 0.65 -0.77 0.49 0.00 2.34 0.00 0.00 41.12 43.83 1jyn n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1jyn n SER 165 N 0.00 0.00 -0.06 1.67 7.64 -1.25 -3.64 113.62 117.98 1jyn n SER 165 Ca 0.00 -0.36 0.01 0.00 1.01 0.00 0.00 58.87 59.52 1jyn n SER 165 Cb 0.00 -0.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.12 1jyn n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jyn n ARG 166 N -1.09 2.41 -4.16 1.43 5.12 -1.26 -3.91 116.66 115.19 1jyn n ARG 166 Ca 0.11 -1.40 -0.16 0.00 -1.93 0.00 0.00 57.85 54.47 1jyn n ARG 166 Cb 0.08 -1.02 -0.11 0.00 -1.16 0.00 0.00 32.46 30.24 1jyn n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1jyn s LEU 167 N -0.86 2.31 0.34 0.55 1.43 -1.24 -4.44 118.68 116.77 1jyn s LEU 167 Ca 0.02 -0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 52.17 1jyn s LEU 167 Cb 0.01 -0.40 -0.10 0.00 0.03 0.00 0.00 46.19 45.73 1jyn s LEU 167 CO 0.01 -0.15 1.25 -2.16 0.23 0.00 0.00 176.35 175.53 1jyn s PRO 168 N -2.04 4.31 -0.13 1.29 0.04 -1.22 -4.56 135.00 132.70 1jyn s PRO 168 Ca -0.01 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1jyn s PRO 168 Cb -0.08 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 1jyn s PRO 168 CO 0.01 -0.17 -0.14 -1.12 0.04 0.00 0.00 177.00 175.63 1jyn s SER 169 N -0.69 3.96 0.06 6.66 0.01 0.43 -4.92 113.70 119.22 1jyn s SER 169 Ca 0.50 -0.34 0.09 0.00 1.31 0.00 0.00 55.95 57.52 1jyn s SER 169 Cb -0.37 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 1jyn s SER 169 CO 0.48 0.17 -0.25 -1.61 0.41 0.00 0.00 173.24 172.44 1jyn s GLU 170 N 0.32 1.60 -0.04 12.44 2.02 -1.26 -0.52 118.70 133.26 1jyn s GLU 170 Ca -0.11 -1.11 -0.05 0.00 0.02 0.00 0.00 54.97 53.73 1jyn s GLU 170 Cb -0.16 -1.82 0.01 0.00 0.10 0.00 0.00 34.13 32.26 1jyn s GLU 170 CO 0.06 0.46 0.12 -0.06 0.02 0.00 0.00 175.26 175.86 1jyn s PHE 171 N -0.86 -0.11 -0.23 1.61 0.08 -0.42 -1.35 117.98 116.70 1jyn s PHE 171 Ca 0.11 0.27 -0.29 0.00 0.12 0.00 0.00 56.93 57.13 1jyn s PHE 171 Cb -0.10 0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.38 1jyn s PHE 171 CO 0.03 -0.09 1.18 0.34 -0.10 0.00 0.00 175.22 176.57 1jyn s ASP 172 N -0.13 6.94 0.00 1.36 -1.08 -1.26 -1.26 116.67 121.23 1jyn s ASP 172 Ca -0.02 1.43 0.20 0.00 -0.52 0.00 0.00 52.55 53.64 1jyn s ASP 172 Cb -0.02 -2.54 0.34 0.00 -1.46 0.00 0.00 42.92 39.24 1jyn s ASP 172 CO 0.00 -0.81 1.29 0.18 0.52 0.00 0.00 175.17 176.36 1jyn n LEU 173 N 6.74 3.15 -0.23 -1.34 4.77 0.24 -4.68 117.00 125.65 1jyn n LEU 173 Ca 0.13 -1.43 0.01 0.00 -0.03 0.00 0.00 56.01 54.69 1jyn n LEU 173 Cb 0.46 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1jyn n LEU 173 CO 0.56 0.67 0.74 0.28 -1.33 0.00 0.00 177.39 178.31 1jyn h SER 174 N 3.94 -0.58 0.87 -1.43 0.02 -1.83 0.72 113.55 115.26 1jyn h SER 174 Ca 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1jyn h SER 174 Cb 0.89 0.41 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1jyn h SER 174 CO 0.00 -0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.47 1jyn n ALA 175 N -3.10 2.28 0.10 3.77 0.00 -1.26 -3.75 120.51 118.55 1jyn n ALA 175 Ca 0.09 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1jyn n ALA 175 Cb 0.37 -1.45 -0.16 0.00 0.00 0.00 0.00 19.45 18.21 1jyn n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1jyn n PHE 176 N -1.46 0.00 -3.08 0.00 3.01 0.19 -5.01 117.46 111.10 1jyn n PHE 176 Ca 0.08 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.30 1jyn n PHE 176 Cb 0.30 -0.44 -0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1jyn n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1jyn s LEU 177 N -4.35 3.80 0.05 4.37 1.43 -0.83 -4.71 118.68 118.44 1jyn s LEU 177 Ca -0.06 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1jyn s LEU 177 Cb 0.14 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 1jyn s LEU 177 CO 0.91 -0.50 -0.06 0.00 0.23 0.00 0.00 176.35 176.92 1jyn s ARG 178 N -4.49 0.54 0.42 1.70 1.70 -1.26 -5.03 118.95 112.52 1jyn s ARG 178 Ca 0.44 -0.85 -0.26 0.00 -0.47 0.00 0.00 55.73 54.60 1jyn s ARG 178 Cb -0.10 -0.17 -0.10 0.00 -0.57 0.00 0.00 34.95 34.01 1jyn s ARG 178 CO 0.39 0.01 1.35 0.00 -1.08 0.00 0.00 175.30 175.97 1jyn n ALA 179 N 1.17 1.66 0.00 7.88 0.00 -1.26 -4.55 120.51 125.41 1jyn n ALA 179 Ca -0.21 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1jyn n ALA 179 Cb 0.56 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1jyn n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyn n GLY 180 N 0.69 0.63 3.73 0.00 0.00 0.25 -4.92 105.19 105.56 1jyn n GLY 180 Ca 0.05 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1jyn n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jyn s GLU 181 N 0.00 4.53 0.10 1.61 0.41 -1.26 0.27 118.70 124.36 1jyn s GLU 181 Ca 0.00 1.71 0.00 0.00 -0.41 0.00 0.00 54.97 56.27 1jyn s GLU 181 Cb 0.00 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 1jyn s GLU 181 CO 0.00 -0.06 -0.03 -0.80 -0.49 0.00 0.00 175.26 173.88 1jyn s ASN 182 N 0.42 0.80 -0.07 -0.19 0.01 0.14 -4.86 114.94 111.20 1jyn s ASN 182 Ca 0.53 -1.06 0.01 0.00 -0.71 0.00 0.00 52.86 51.64 1jyn s ASN 182 Cb -0.29 0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.56 1jyn s ASN 182 CO 0.32 -0.57 -0.09 -0.60 -1.51 0.00 0.00 177.10 174.66 1jyn s ARG 183 N -3.91 1.42 0.04 -0.60 3.52 -1.26 0.25 118.95 118.41 1jyn s ARG 183 Ca 0.14 -0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 55.44 1jyn s ARG 183 Cb 0.07 -1.29 -0.04 0.00 -1.56 0.00 0.00 34.95 32.13 1jyn s ARG 183 CO -0.04 -0.06 0.19 -0.51 -0.81 0.00 0.00 175.30 174.07 1jyn s LEU 184 N 0.95 4.33 -0.08 -0.88 1.43 0.29 -0.36 118.68 124.37 1jyn s LEU 184 Ca -0.10 0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1jyn s LEU 184 Cb -0.15 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.28 1jyn s LEU 184 CO 0.00 0.20 -0.05 0.00 0.23 0.00 0.00 176.35 176.74 1jyn s ALA 185 N -1.44 1.01 -0.16 4.21 0.00 -0.46 -1.22 121.76 123.70 1jyn s ALA 185 Ca 0.32 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.97 1jyn s ALA 185 Cb -0.13 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1jyn s ALA 185 CO 0.24 -0.31 -0.15 0.08 0.00 0.00 0.00 175.76 175.62 1jyn s VAL 186 N 1.57 1.69 -0.31 0.00 1.01 0.87 -0.86 120.40 124.36 1jyn s VAL 186 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1jyn s VAL 186 Cb -0.13 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1jyn s VAL 186 CO -0.05 0.43 0.18 -0.32 0.00 0.00 0.00 175.10 175.35 1jyn s MET 187 N 1.43 3.49 -0.22 2.72 1.75 -0.35 -1.01 119.30 127.12 1jyn s MET 187 Ca 0.04 -0.63 -0.08 0.00 -1.25 0.00 0.00 55.69 53.77 1jyn s MET 187 Cb -0.13 -3.65 -0.04 0.00 2.84 0.00 0.00 34.83 33.85 1jyn s MET 187 CO -0.11 -0.38 0.08 0.08 -0.65 0.00 0.00 175.02 174.03 1jyn s VAL 188 N 1.67 4.63 -0.16 10.11 1.01 -0.22 -1.74 120.40 135.70 1jyn s VAL 188 Ca 0.06 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1jyn s VAL 188 Cb -0.17 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1jyn s VAL 188 CO 0.08 0.39 0.27 -0.76 0.00 0.00 0.00 175.10 175.08 1jyn s LEU 189 N 0.99 4.24 0.13 3.92 1.43 -0.02 -0.76 118.68 128.61 1jyn s LEU 189 Ca 0.04 0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 1jyn s LEU 189 Cb -0.14 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1jyn s LEU 189 CO 0.03 0.12 1.62 -0.09 0.23 0.00 0.00 176.35 178.26 1jyn h ARG 190 N 6.61 0.65 -6.51 1.70 2.43 -1.40 -1.85 114.38 116.01 1jyn h ARG 190 Ca -0.42 -0.16 -0.68 0.00 -0.81 0.00 0.00 59.98 57.91 1jyn h ARG 190 Cb 1.16 -0.08 -0.20 0.00 -0.42 0.00 0.00 29.97 30.44 1jyn h ARG 190 CO 0.75 0.68 -0.77 -1.58 -1.51 0.00 0.00 179.97 177.54 1jyn s TRP 191 N -5.25 2.66 0.30 2.20 0.52 -1.26 -3.86 118.94 114.25 1jyn s TRP 191 Ca -0.13 -0.19 -0.17 0.00 0.02 0.00 0.00 56.10 55.63 1jyn s TRP 191 Cb 0.10 -1.48 0.02 0.00 -1.15 0.00 0.00 33.47 30.96 1jyn s TRP 191 CO 0.77 0.32 0.68 -1.54 0.02 0.00 0.00 176.95 177.20 1jyn s SER 192 N -1.61 -0.10 0.60 2.95 1.04 -1.26 -4.89 113.70 110.42 1jyn s SER 192 Ca 0.17 -0.85 0.40 0.00 0.48 0.00 0.00 55.95 56.14 1jyn s SER 192 Cb -0.11 0.73 2.09 0.00 0.10 0.00 0.00 66.02 68.84 1jyn s SER 192 CO 0.08 -1.40 2.21 -2.24 0.98 0.00 0.00 173.24 172.87 1jyn h ASP 193 N 2.05 0.00 0.32 7.02 3.04 -1.22 0.16 116.42 127.80 1jyn h ASP 193 Ca -0.24 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.50 1jyn h ASP 193 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 1jyn h ASP 193 CO 0.30 0.00 -0.22 1.23 -2.04 0.00 0.00 179.24 178.51 1jyn h GLY 194 N 0.34 0.00 2.00 7.15 0.00 -1.90 -2.14 103.07 108.52 1jyn h GLY 194 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jyn h GLY 194 CO 0.00 0.00 -0.02 1.76 0.00 0.00 0.00 176.54 178.28 1jyn h SER 195 N 0.00 0.00 0.89 0.19 0.02 -1.02 -0.25 113.55 113.38 1jyn h SER 195 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jyn h SER 195 Cb 0.44 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1jyn h SER 195 CO 0.03 0.02 -0.00 1.88 -1.14 0.00 0.00 176.83 177.61 1jyn h TYR 196 N 0.00 0.00 -0.68 3.45 0.05 -1.51 -1.95 116.97 116.33 1jyn h TYR 196 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jyn h TYR 196 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1jyn h TYR 196 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 1jyn n LEU 197 N -3.10 4.18 -2.60 3.88 4.77 -0.11 -4.40 117.00 119.62 1jyn n LEU 197 Ca 0.00 -2.16 -0.16 0.00 -0.03 0.00 0.00 56.01 53.66 1jyn n LEU 197 Cb 0.28 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1jyn n LEU 197 CO 0.26 0.92 -0.00 -0.62 -1.33 0.00 0.00 177.39 176.62 1jyn n GLU 198 N 1.40 2.03 -1.03 3.23 1.02 -0.73 -0.29 120.64 126.26 1jyn n GLU 198 Ca 0.24 -3.75 -0.23 0.00 -0.02 0.00 0.00 57.16 53.41 1jyn n GLU 198 Cb 0.71 -1.64 0.10 0.00 -0.02 0.00 0.00 31.44 30.58 1jyn n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jyn n ASP 199 N -0.22 5.43 -4.77 1.62 2.03 -0.33 -4.98 116.55 115.33 1jyn n ASP 199 Ca 0.21 -3.34 -0.34 0.00 0.52 0.00 0.00 54.79 51.83 1jyn n ASP 199 Cb 0.75 -0.89 0.02 0.00 -0.72 0.00 0.00 41.12 40.29 1jyn n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1jyn s GLN 200 N -2.71 3.09 -1.03 -0.67 1.11 -1.26 -4.60 119.66 113.58 1jyn s GLN 200 Ca 0.46 1.52 -0.23 0.00 0.01 0.00 0.00 55.36 57.13 1jyn s GLN 200 Cb 0.38 -1.98 -0.00 0.00 -1.01 0.00 0.00 33.01 30.40 1jyn s GLN 200 CO 0.04 -1.04 1.73 0.34 0.01 0.00 0.00 175.29 176.36 1jyn s ASP 201 N -2.13 5.85 0.22 5.90 2.15 -1.26 -4.81 116.67 122.59 1jyn s ASP 201 Ca 0.70 -1.30 -0.21 0.00 0.43 0.00 0.00 52.55 52.17 1jyn s ASP 201 Cb -0.23 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 39.90 1jyn s ASP 201 CO 0.34 -2.13 0.99 0.00 -0.17 0.00 0.00 175.17 174.20 1jyn s MET 202 N 5.84 1.46 0.35 4.34 0.23 -1.26 -5.01 119.30 125.25 1jyn s MET 202 Ca 0.59 -0.93 -0.28 0.00 -1.03 0.00 0.00 55.69 54.04 1jyn s MET 202 Cb -0.02 0.42 -0.11 0.00 -1.53 0.00 0.00 34.83 33.59 1jyn s MET 202 CO -0.02 -0.68 1.40 -1.58 -2.03 0.00 0.00 175.02 172.11 1jyn s TRP 203 N -2.33 2.82 -0.44 3.16 0.52 -1.26 -4.31 118.94 117.10 1jyn s TRP 203 Ca 0.20 1.29 -0.16 0.00 0.02 0.00 0.00 56.10 57.45 1jyn s TRP 203 Cb -0.03 -3.85 0.04 0.00 -1.15 0.00 0.00 33.47 28.48 1jyn s TRP 203 CO 0.06 -2.42 0.40 1.03 0.02 0.00 0.00 176.95 176.04 1jyn s ARG 204 N -1.95 3.03 0.28 4.98 1.81 0.26 -4.94 118.95 122.43 1jyn s ARG 204 Ca 0.51 -1.01 0.01 0.00 -1.72 0.00 0.00 55.73 53.52 1jyn s ARG 204 Cb -0.43 -4.03 -0.00 0.00 -0.45 0.00 0.00 34.95 30.04 1jyn s ARG 204 CO 0.58 -0.91 0.04 -1.33 -0.68 0.00 0.00 175.30 173.01 1jyn n MET 205 N 5.42 1.01 -3.78 3.54 2.81 -1.26 -2.15 117.12 122.71 1jyn n MET 205 Ca -0.10 -2.16 -0.08 0.00 -1.81 0.00 0.00 57.70 53.55 1jyn n MET 205 Cb 0.46 0.85 -0.02 0.00 -0.71 0.00 0.00 33.22 33.80 1jyn n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1jyn s SER 206 N -2.60 -0.31 0.00 7.83 1.04 -1.26 -4.82 113.70 113.57 1jyn s SER 206 Ca 0.06 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1jyn s SER 206 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1jyn s SER 206 CO 0.04 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.62 1jyn n GLY 207 N -0.44 0.81 3.37 7.32 0.00 0.81 -1.85 105.19 115.22 1jyn n GLY 207 Ca -0.07 -2.13 -0.46 0.00 0.00 0.00 0.00 46.02 43.37 1jyn n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jyn s ILE 208 N -0.99 5.21 -1.42 -0.61 1.01 -1.20 -1.08 121.20 122.11 1jyn s ILE 208 Ca 0.00 -1.91 0.13 0.00 0.00 0.00 0.00 60.65 58.87 1jyn s ILE 208 Cb 0.00 -4.56 0.24 0.00 0.01 0.00 0.00 42.46 38.15 1jyn s ILE 208 CO 0.00 -1.17 1.12 2.22 0.00 0.00 0.00 174.94 177.10 1jyn n PHE 209 N 5.18 0.28 -4.47 3.97 -1.74 -0.73 -0.98 117.46 118.97 1jyn n PHE 209 Ca 0.11 -0.24 -0.23 0.00 -0.56 0.00 0.00 57.45 56.53 1jyn n PHE 209 Cb 0.46 -0.01 -0.10 0.00 1.52 0.00 0.00 39.48 41.35 1jyn n PHE 209 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1jyn s ARG 210 N -1.07 1.72 0.47 3.97 0.52 -1.17 -4.26 118.95 119.13 1jyn s ARG 210 Ca 0.22 -1.98 -0.22 0.00 -0.52 0.00 0.00 55.73 53.23 1jyn s ARG 210 Cb 0.13 -0.80 -0.10 0.00 0.52 0.00 0.00 34.95 34.70 1jyn s ARG 210 CO 0.18 -0.27 0.71 -0.25 0.02 0.00 0.00 175.30 175.70 1jyn n ASP 211 N -0.83 -0.16 -4.20 0.23 8.00 -1.26 -4.36 116.55 113.96 1jyn n ASP 211 Ca -0.03 0.90 -0.32 0.00 0.71 0.00 0.00 54.79 56.04 1jyn n ASP 211 Cb 0.66 -1.22 -0.17 0.00 -0.02 0.00 0.00 41.12 40.37 1jyn n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jyn s VAL 212 N -1.47 2.03 0.14 2.53 1.01 -1.26 0.04 120.40 123.43 1jyn s VAL 212 Ca 0.66 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1jyn s VAL 212 Cb -0.54 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1jyn s VAL 212 CO 0.56 0.55 0.21 -0.94 0.00 0.00 0.00 175.10 175.48 1jyn s SER 213 N 0.49 0.12 -0.10 3.32 1.04 -0.49 0.09 113.70 118.16 1jyn s SER 213 Ca -0.15 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.39 1jyn s SER 213 Cb -0.17 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1jyn s SER 213 CO 0.06 -0.83 -0.19 -0.76 0.98 0.00 0.00 173.24 172.50 1jyn s LEU 214 N -2.97 2.41 -0.09 2.42 1.43 0.30 0.15 118.68 122.33 1jyn s LEU 214 Ca 0.17 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1jyn s LEU 214 Cb 0.05 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.77 1jyn s LEU 214 CO -0.02 0.19 -0.17 -0.22 0.23 0.00 0.00 176.35 176.36 1jyn s LEU 215 N 0.20 1.81 -0.23 1.79 2.96 -0.20 -0.12 118.68 124.90 1jyn s LEU 215 Ca -0.11 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.28 1jyn s LEU 215 Cb -0.16 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 1jyn s LEU 215 CO 0.06 0.07 0.12 -2.28 -1.32 0.00 0.00 176.35 173.00 1jyn s HIS 216 N 0.67 3.23 0.15 5.38 5.65 -0.52 -0.87 115.29 128.99 1jyn s HIS 216 Ca -0.13 0.02 0.09 0.00 0.25 0.00 0.00 55.06 55.29 1jyn s HIS 216 Cb -0.16 -2.23 -0.04 0.00 -1.18 0.00 0.00 32.58 28.97 1jyn s HIS 216 CO 0.03 -0.04 -0.21 0.15 -0.65 0.00 0.00 174.74 174.03 1jyn s LYS 217 N 1.11 1.30 0.79 2.88 -0.14 -0.03 -4.72 119.74 120.93 1jyn s LYS 217 Ca 0.06 -1.37 -0.12 0.00 -1.36 0.00 0.00 55.97 53.18 1jyn s LYS 217 Cb -0.14 -1.48 0.06 0.00 -1.68 0.00 0.00 37.83 34.59 1jyn s LYS 217 CO 0.04 0.32 1.11 -1.25 -0.76 0.00 0.00 175.35 174.81 1jyn s PRO 218 N -2.51 2.16 0.17 -1.68 0.04 -1.26 0.49 135.00 132.40 1jyn s PRO 218 Ca 0.14 0.53 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 1jyn s PRO 218 Cb -0.07 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.60 1jyn s PRO 218 CO 0.07 -1.54 1.72 1.15 0.04 0.00 0.00 177.00 178.43 1jyn h THR 219 N -1.03 1.23 -3.62 1.26 2.02 -1.93 -3.34 112.91 107.50 1jyn h THR 219 Ca -0.47 -0.73 -0.65 0.00 0.77 0.00 0.00 66.41 65.33 1jyn h THR 219 Cb 1.27 0.61 -0.16 0.00 -1.74 0.00 0.00 68.15 68.14 1jyn h THR 219 CO 0.61 0.28 -0.13 -0.89 0.37 0.00 0.00 175.52 175.76 1jyn s THR 220 N -5.52 5.07 0.16 3.16 2.01 -1.26 -3.77 115.64 115.48 1jyn s THR 220 Ca -0.13 0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 1jyn s THR 220 Cb 0.13 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1jyn s THR 220 CO 0.80 -0.17 0.29 0.00 -0.69 0.00 0.00 174.62 174.84 1jyn s GLN 221 N 2.27 1.15 -0.20 4.92 -2.07 -0.43 -4.88 119.66 120.42 1jyn s GLN 221 Ca 0.16 -1.14 -0.29 0.00 -1.82 0.00 0.00 55.36 52.27 1jyn s GLN 221 Cb -0.16 0.38 -0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1jyn s GLN 221 CO 0.13 -0.42 1.15 0.42 -1.32 0.00 0.00 175.29 175.24 1jyn s ILE 222 N -3.96 4.49 -0.85 3.63 1.01 -1.26 -1.53 121.20 122.73 1jyn s ILE 222 Ca 0.16 1.79 0.19 0.00 0.00 0.00 0.00 60.65 62.79 1jyn s ILE 222 Cb 0.03 -4.16 -0.21 0.00 0.01 0.00 0.00 42.46 38.13 1jyn s ILE 222 CO -0.01 -0.15 0.79 -1.54 0.00 0.00 0.00 174.94 174.03 1jyn n SER 223 N 6.43 0.88 -3.58 3.58 3.41 0.12 -4.91 113.62 119.55 1jyn n SER 223 Ca 0.13 -0.90 -0.05 0.00 -0.26 0.00 0.00 58.87 57.79 1jyn n SER 223 Cb 0.45 1.05 -0.02 0.00 -0.26 0.00 0.00 64.21 65.44 1jyn n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jyn s ASP 224 N -2.89 -0.18 -0.22 4.04 2.15 -1.16 -4.87 116.67 113.53 1jyn s ASP 224 Ca 0.06 -0.00 -0.26 0.00 0.43 0.00 0.00 52.55 52.77 1jyn s ASP 224 Cb 0.14 0.20 0.07 0.00 -0.30 0.00 0.00 42.92 43.03 1jyn s ASP 224 CO 0.79 -0.32 0.73 0.72 -0.17 0.00 0.00 175.17 176.91 1jyn s PHE 225 N -2.57 -0.74 -0.05 -5.34 -0.71 -1.26 -1.15 117.98 106.16 1jyn s PHE 225 Ca 0.09 1.69 0.05 0.00 -1.04 0.00 0.00 56.93 57.71 1jyn s PHE 225 Cb -0.01 0.31 -0.00 0.00 -1.21 0.00 0.00 43.02 42.11 1jyn s PHE 225 CO -0.06 -0.43 -0.20 -1.01 -1.34 0.00 0.00 175.22 172.19 1jyn s HIS 226 N -0.02 2.00 -0.14 3.49 3.76 -0.07 -4.82 115.29 119.49 1jyn s HIS 226 Ca -0.02 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.29 1jyn s HIS 226 Cb -0.04 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.32 1jyn s HIS 226 CO 0.03 -0.20 -0.19 0.08 -0.85 0.00 0.00 174.74 173.61 1jyn s VAL 227 N 0.02 2.41 0.13 -0.90 1.01 -1.26 -1.48 120.40 120.33 1jyn s VAL 227 Ca -0.05 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.17 1jyn s VAL 227 Cb -0.13 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1jyn s VAL 227 CO 0.03 0.53 -0.26 0.00 0.00 0.00 0.00 175.10 175.41 1jyn s ALA 228 N 0.71 2.27 -0.09 5.51 0.00 0.00 -4.85 121.76 125.31 1jyn s ALA 228 Ca -0.08 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 1jyn s ALA 228 Cb -0.16 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.64 1jyn s ALA 228 CO 0.01 0.50 0.00 0.95 0.00 0.00 0.00 175.76 177.22 1jyn s THR 229 N -1.11 0.42 0.11 0.00 -4.23 -1.26 -0.83 115.64 108.74 1jyn s THR 229 Ca 0.13 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1jyn s THR 229 Cb -0.10 -0.63 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 1jyn s THR 229 CO 0.06 0.19 -0.14 -0.13 -0.54 0.00 0.00 174.62 174.06 1jyn s ARG 230 N 1.95 1.95 0.26 3.99 0.52 -0.82 -4.79 118.95 122.01 1jyn s ARG 230 Ca 0.04 -1.11 0.04 0.00 -0.52 0.00 0.00 55.73 54.19 1jyn s ARG 230 Cb -0.13 -2.21 -0.06 0.00 0.52 0.00 0.00 34.95 33.08 1jyn s ARG 230 CO -0.06 0.49 0.00 -0.06 0.02 0.00 0.00 175.30 175.70 1jyn s PHE 231 N -1.19 1.73 0.89 -0.53 0.08 -1.26 -1.22 117.98 116.48 1jyn s PHE 231 Ca 0.20 -0.90 -0.10 0.00 0.12 0.00 0.00 56.93 56.25 1jyn s PHE 231 Cb -0.11 -1.04 0.19 0.00 -0.57 0.00 0.00 43.02 41.49 1jyn s PHE 231 CO 0.12 0.02 1.22 0.54 -0.10 0.00 0.00 175.22 177.02 1jyn s ASN 232 N -3.38 3.43 0.50 1.36 4.22 -0.74 -4.95 114.94 115.39 1jyn s ASN 232 Ca 0.31 -0.06 0.17 0.00 -2.14 0.00 0.00 52.86 51.13 1jyn s ASN 232 Cb 0.06 -0.04 1.24 0.00 1.28 0.00 0.00 41.25 43.78 1jyn s ASN 232 CO 0.11 -2.50 2.10 -2.24 -2.04 0.00 0.00 177.10 172.53 1jyn h ASP 233 N -1.28 0.07 -0.11 3.54 3.04 -2.01 -2.44 116.42 117.22 1jyn h ASP 233 Ca -0.41 -0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.35 1jyn h ASP 233 Cb 1.24 -0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 39.49 1jyn h ASP 233 CO 0.35 0.05 -0.12 -0.90 -2.04 0.00 0.00 179.24 176.59 1jyn n ASP 234 N -4.50 2.56 -1.48 4.15 5.68 -1.26 -4.94 116.55 116.77 1jyn n ASP 234 Ca 0.01 -3.37 -0.18 0.00 -0.50 0.00 0.00 54.79 50.76 1jyn n ASP 234 Cb 0.20 -0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 39.61 1jyn n ASP 234 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1jyn n PHE 235 N -1.12 -0.16 1.09 2.11 3.01 -0.92 -4.85 117.46 116.61 1jyn n PHE 235 Ca 0.21 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.79 1jyn n PHE 235 Cb 0.77 -3.11 0.24 0.00 -0.01 0.00 0.00 39.48 37.37 1jyn n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jyn n SER 236 N -0.95 0.84 -3.87 4.37 3.41 -1.26 -4.56 113.62 111.60 1jyn n SER 236 Ca -0.18 -0.64 -0.12 0.00 -0.26 0.00 0.00 58.87 57.67 1jyn n SER 236 Cb 0.59 0.31 -0.12 0.00 -0.26 0.00 0.00 64.21 64.73 1jyn n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jyn s ARG 237 N -2.79 0.17 0.06 4.33 0.52 -1.26 0.18 118.95 120.16 1jyn s ARG 237 Ca 0.16 -0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 1jyn s ARG 237 Cb 0.18 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 1jyn s ARG 237 CO 0.65 -0.03 -0.04 0.00 0.02 0.00 0.00 175.30 175.89 1jyn s ALA 238 N -0.37 0.58 -0.17 2.13 0.00 0.52 -1.79 121.76 122.67 1jyn s ALA 238 Ca -0.04 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1jyn s ALA 238 Cb -0.03 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1jyn s ALA 238 CO 0.00 -0.27 -0.19 0.08 0.00 0.00 0.00 175.76 175.39 1jyn s VAL 239 N -3.20 1.96 -0.19 0.00 1.01 -0.36 -0.30 120.40 119.33 1jyn s VAL 239 Ca 0.03 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1jyn s VAL 239 Cb 0.03 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1jyn s VAL 239 CO -0.06 0.52 0.56 -0.22 0.00 0.00 0.00 175.10 175.90 1jyn s LEU 240 N 1.28 4.17 -0.13 3.92 0.20 0.68 -1.94 118.68 126.85 1jyn s LEU 240 Ca 0.04 0.76 0.03 0.00 0.69 0.00 0.00 54.13 55.65 1jyn s LEU 240 Cb -0.13 -2.78 0.01 0.00 -0.43 0.00 0.00 46.19 42.85 1jyn s LEU 240 CO -0.11 -0.19 -0.22 -0.70 -0.29 0.00 0.00 176.35 174.84 1jyn s GLU 241 N 1.60 2.97 -0.23 1.98 2.12 -0.01 -0.31 118.70 126.81 1jyn s GLU 241 Ca 0.26 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.78 1jyn s GLU 241 Cb -0.16 -2.38 0.05 0.00 0.26 0.00 0.00 34.13 31.90 1jyn s GLU 241 CO 0.10 0.00 -0.14 0.00 -0.54 0.00 0.00 175.26 174.69 1jyn s ALA 242 N 0.77 2.48 -0.15 6.30 0.00 -0.02 -0.82 121.76 130.33 1jyn s ALA 242 Ca -0.08 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.12 1jyn s ALA 242 Cb -0.16 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1jyn s ALA 242 CO -0.01 -0.93 0.43 -2.00 0.00 0.00 0.00 175.76 173.26 1jyn s GLU 243 N 1.17 4.29 -0.04 0.00 2.12 -0.55 -1.11 118.70 124.58 1jyn s GLU 243 Ca -0.04 0.33 0.06 0.00 0.36 0.00 0.00 54.97 55.68 1jyn s GLU 243 Cb -0.18 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1jyn s GLU 243 CO -0.08 0.12 -0.23 0.08 -0.54 0.00 0.00 175.26 174.61 1jyn s VAL 244 N 0.76 1.89 0.11 3.70 1.01 0.90 -0.89 120.40 127.88 1jyn s VAL 244 Ca 0.23 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.31 1jyn s VAL 244 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1jyn s VAL 244 CO 0.08 0.53 -0.22 -1.10 0.00 0.00 0.00 175.10 174.39 1jyn s GLN 245 N -0.30 1.65 0.23 2.72 -0.21 -0.30 -1.49 119.66 121.97 1jyn s GLN 245 Ca 0.02 -1.23 0.09 0.00 0.02 0.00 0.00 55.36 54.26 1jyn s GLN 245 Cb -0.12 -2.02 -0.05 0.00 1.00 0.00 0.00 33.01 31.83 1jyn s GLN 245 CO 0.02 0.47 -0.17 0.00 -2.12 0.00 0.00 175.29 173.49 1jyn s MET 246 N -2.00 1.46 0.14 2.91 0.23 -0.57 0.16 119.30 121.63 1jyn s MET 246 Ca 0.16 -1.66 0.10 0.00 -1.03 0.00 0.00 55.69 53.26 1jyn s MET 246 Cb -0.10 -1.36 -0.04 0.00 -1.53 0.00 0.00 34.83 31.79 1jyn s MET 246 CO 0.07 0.24 -0.23 0.00 -2.03 0.00 0.00 175.02 173.07 1jyn n GLY 248 N 0.69 -0.39 3.70 0.00 0.00 -1.25 -1.32 105.19 106.63 1jyn n GLY 248 Ca -0.16 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.17 1jyn n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jyn s GLU 249 N -0.63 4.48 0.32 1.61 2.12 -1.26 -5.00 118.70 120.34 1jyn s GLU 249 Ca 0.00 1.30 -0.28 0.00 0.36 0.00 0.00 54.97 56.35 1jyn s GLU 249 Cb 0.00 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.80 1jyn s GLU 249 CO 0.00 -0.14 1.15 -0.51 -0.54 0.00 0.00 175.26 175.21 1jyn s LEU 250 N 1.40 4.43 -0.08 2.70 1.43 -1.26 -5.02 118.68 122.28 1jyn s LEU 250 Ca 0.48 2.35 -0.12 0.00 -1.03 0.00 0.00 54.13 55.81 1jyn s LEU 250 Cb -0.19 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.30 1jyn s LEU 250 CO 0.22 -0.34 0.29 -0.13 0.23 0.00 0.00 176.35 176.62 1jyn s ARG 251 N -1.75 0.46 0.60 1.70 1.81 -1.26 -5.03 118.95 115.47 1jyn s ARG 251 Ca 0.49 0.18 0.35 0.00 -1.72 0.00 0.00 55.73 55.03 1jyn s ARG 251 Cb -0.32 0.21 1.90 0.00 -0.45 0.00 0.00 34.95 36.29 1jyn s ARG 251 CO 0.42 -0.09 2.22 -0.44 -0.68 0.00 0.00 175.30 176.73 1jyn h ASP 252 N 5.02 0.00 0.18 0.23 3.32 -2.00 -1.51 116.42 121.66 1jyn h ASP 252 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1jyn h ASP 252 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1jyn h ASP 252 CO 0.35 0.03 -0.03 0.00 -1.72 0.00 0.00 179.24 177.87 1jyn n TYR 253 N -3.41 0.00 -2.45 4.55 0.18 -1.26 -4.88 117.16 109.89 1jyn n TYR 253 Ca -0.02 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.40 1jyn n TYR 253 Cb 0.15 -0.09 -0.03 0.00 -0.38 0.00 0.00 39.34 38.99 1jyn n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1jyn s LEU 254 N -2.21 3.95 0.08 -3.48 1.43 -0.57 0.00 118.68 117.88 1jyn s LEU 254 Ca 0.39 2.07 -0.05 0.00 -1.03 0.00 0.00 54.13 55.50 1jyn s LEU 254 Cb 0.21 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.02 1jyn s LEU 254 CO 0.41 -0.78 0.09 -0.13 0.23 0.00 0.00 176.35 176.17 1jyn s ARG 255 N -2.91 0.76 -0.05 1.70 1.81 0.53 -4.23 118.95 116.57 1jyn s ARG 255 Ca 0.64 -1.11 0.04 0.00 -1.72 0.00 0.00 55.73 53.58 1jyn s ARG 255 Cb -0.21 0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.57 1jyn s ARG 255 CO 0.26 -0.21 -0.15 0.08 -0.68 0.00 0.00 175.30 174.60 1jyn s VAL 256 N -3.90 1.32 -0.11 3.52 1.01 0.10 -1.13 120.40 121.20 1jyn s VAL 256 Ca 0.08 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1jyn s VAL 256 Cb 0.06 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1jyn s VAL 256 CO -0.09 0.39 -0.16 -0.89 0.00 0.00 0.00 175.10 174.34 1jyn s THR 257 N 0.18 2.82 -0.14 3.92 2.01 -0.37 -1.35 115.64 122.71 1jyn s THR 257 Ca -0.06 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1jyn s THR 257 Cb -0.12 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.25 1jyn s THR 257 CO 0.02 0.54 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.60 1jyn s VAL 258 N 0.14 2.19 0.10 3.82 1.01 -0.33 -0.85 120.40 126.48 1jyn s VAL 258 Ca -0.08 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.06 1jyn s VAL 258 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1jyn s VAL 258 CO 0.05 0.54 -0.24 -0.94 0.00 0.00 0.00 175.10 174.52 1jyn s SER 259 N 0.76 3.46 -0.10 3.32 1.04 -0.45 -1.31 113.70 120.41 1jyn s SER 259 Ca -0.08 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.74 1jyn s SER 259 Cb -0.16 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1jyn s SER 259 CO -0.00 0.20 -0.23 -0.22 0.98 0.00 0.00 173.24 173.97 1jyn s LEU 260 N -1.85 2.07 0.10 2.42 2.96 0.81 -1.07 118.68 124.12 1jyn s LEU 260 Ca 0.14 -0.55 0.10 0.00 -0.22 0.00 0.00 54.13 53.61 1jyn s LEU 260 Cb -0.10 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1jyn s LEU 260 CO 0.06 0.14 -0.27 0.26 -1.32 0.00 0.00 176.35 175.23 1jyn s TRP 261 N 0.42 2.32 -0.40 5.38 0.52 0.13 0.16 118.94 127.47 1jyn s TRP 261 Ca -0.17 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.58 1jyn s TRP 261 Cb -0.18 -1.30 0.12 0.00 -1.15 0.00 0.00 33.47 30.96 1jyn s TRP 261 CO 0.07 0.27 0.16 -1.14 0.02 0.00 0.00 176.95 176.33 1jyn s GLN 262 N -1.77 1.35 7.02 4.98 2.00 -0.23 -0.88 119.66 132.12 1jyn s GLN 262 Ca 0.13 -1.89 0.00 0.00 -2.00 0.00 0.00 55.36 51.61 1jyn s GLN 262 Cb -0.10 -2.71 0.00 0.00 0.80 0.00 0.00 33.01 31.00 1jyn s GLN 262 CO 0.05 -1.05 0.00 0.41 -0.50 0.00 0.00 175.29 174.20 1jyn n GLY 263 N 3.95 2.87 0.09 2.59 0.00 -1.26 -1.67 105.19 111.76 1jyn n GLY 263 Ca 0.04 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.91 1jyn n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jyn n GLU 264 N 13.64 0.46 -3.21 1.61 1.02 -1.26 -4.82 120.64 128.08 1jyn n GLU 264 Ca 0.00 -0.17 -0.39 0.00 -0.02 0.00 0.00 57.16 56.58 1jyn n GLU 264 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.87 1jyn n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jyn s THR 265 N -2.66 5.01 -0.39 2.62 2.01 -0.67 -5.00 115.64 116.57 1jyn s THR 265 Ca 0.23 1.20 -0.26 0.00 0.31 0.00 0.00 61.69 63.17 1jyn s THR 265 Cb 0.19 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.80 1jyn s THR 265 CO 0.53 0.37 0.92 -1.58 -0.69 0.00 0.00 174.62 174.16 1jyn s GLN 266 N 0.18 3.76 0.07 4.92 0.74 -1.26 -1.07 119.66 127.01 1jyn s GLN 266 Ca 0.31 0.46 -0.07 0.00 0.05 0.00 0.00 55.36 56.11 1jyn s GLN 266 Cb -0.17 -3.83 -0.27 0.00 1.10 0.00 0.00 33.01 29.84 1jyn s GLN 266 CO 0.15 -1.01 1.14 0.28 -0.55 0.00 0.00 175.29 175.31 1jyn h VAL 267 N 5.88 1.44 -2.60 1.34 2.07 -0.62 -3.48 116.25 120.27 1jyn h VAL 267 Ca -0.23 -2.88 0.05 0.00 0.82 0.00 0.00 66.70 64.45 1jyn h VAL 267 Cb 1.08 2.88 -0.14 0.00 -1.52 0.00 0.00 31.29 33.59 1jyn h VAL 267 CO 0.99 0.85 0.36 0.00 0.02 0.00 0.00 177.57 179.79 1jyn s ALA 268 N -2.75 -1.72 -0.23 1.67 0.00 -1.11 -4.99 121.76 112.63 1jyn s ALA 268 Ca -0.05 0.78 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 1jyn s ALA 268 Cb 0.07 0.62 0.08 0.00 0.00 0.00 0.00 23.12 23.89 1jyn s ALA 268 CO 0.90 -0.72 0.75 0.45 0.00 0.00 0.00 175.76 177.13 1jyn s SER 269 N -2.58 -0.70 -0.06 0.00 0.15 -1.26 -0.14 113.70 109.11 1jyn s SER 269 Ca 0.03 1.25 -0.10 0.00 0.70 0.00 0.00 55.95 57.83 1jyn s SER 269 Cb -0.01 1.23 0.02 0.00 -1.71 0.00 0.00 66.02 65.55 1jyn s SER 269 CO -0.11 -0.30 0.24 -0.83 1.20 0.00 0.00 173.24 173.44 1jyn s GLY 270 N 0.07 -0.14 0.08 9.45 0.00 -0.43 -4.99 107.32 111.36 1jyn s GLY 270 Ca -0.02 0.48 0.06 0.00 0.00 0.00 0.00 44.72 45.24 1jyn s GLY 270 CO 0.02 0.35 -0.15 -1.59 0.00 0.00 0.00 173.10 171.73 1jyn s THR 271 N -0.43 1.20 -0.06 0.90 2.01 -1.26 -1.18 115.64 116.81 1jyn s THR 271 Ca -0.05 -1.34 -0.29 0.00 0.31 0.00 0.00 61.69 60.31 1jyn s THR 271 Cb -0.04 -1.14 0.10 0.00 0.01 0.00 0.00 72.50 71.43 1jyn s THR 271 CO 0.01 -0.20 0.82 0.00 -0.69 0.00 0.00 174.62 174.56 1jyn s ALA 272 N -1.27 -1.82 0.75 7.40 0.00 -0.46 -4.99 121.76 121.38 1jyn s ALA 272 Ca -0.01 1.28 -0.10 0.00 0.00 0.00 0.00 51.96 53.13 1jyn s ALA 272 Cb -0.10 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.99 1jyn s ALA 272 CO 0.03 -0.44 1.10 -1.25 0.00 0.00 0.00 175.76 175.19 1jyn s PRO 273 N -1.74 2.24 0.62 0.00 0.04 -1.26 0.00 135.00 134.91 1jyn s PRO 273 Ca -0.04 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 60.91 1jyn s PRO 273 Cb -0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1jyn s PRO 273 CO 0.02 -1.34 1.07 -0.06 0.04 0.00 0.00 177.00 176.72 1jyn s PHE 274 N -3.40 2.93 0.00 0.56 0.08 -1.26 -4.86 117.98 112.03 1jyn s PHE 274 Ca 0.60 1.51 0.00 0.00 0.12 0.00 0.00 56.93 59.16 1jyn s PHE 274 Cb -0.11 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 1jyn s PHE 274 CO 0.48 -1.25 0.00 0.41 -0.10 0.00 0.00 175.22 174.76 1jyn n GLY 275 N -1.06 1.88 3.93 4.36 0.00 -0.13 -4.96 105.19 109.22 1jyn n GLY 275 Ca 0.09 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1jyn n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jyn s GLY 276 N 0.00 1.70 0.79 -0.02 0.00 0.85 -4.83 107.32 105.81 1jyn s GLY 276 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 1jyn s GLY 276 CO 0.00 -0.47 1.09 -1.83 0.00 0.00 0.00 173.10 171.89 1jyn s GLU 277 N -5.53 2.11 0.25 2.90 -1.05 -1.26 -4.45 118.70 111.66 1jyn s GLU 277 Ca 0.66 1.15 -0.31 0.00 -0.15 0.00 0.00 54.97 56.32 1jyn s GLU 277 Cb -0.08 -1.88 -0.12 0.00 -0.44 0.00 0.00 34.13 31.61 1jyn s GLU 277 CO 0.48 -1.75 1.62 -0.89 0.95 0.00 0.00 175.26 175.68 1jyn n ILE 278 N -3.59 0.57 -0.08 1.83 5.41 -1.26 -4.34 119.36 117.89 1jyn n ILE 278 Ca 0.09 -0.14 -0.13 0.00 1.00 0.00 0.00 62.75 63.56 1jyn n ILE 278 Cb 0.53 -1.87 -0.07 0.00 -0.71 0.00 0.00 39.64 37.51 1jyn n ILE 278 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1jyn n ILE 279 N 2.86 0.96 -3.10 1.39 2.08 0.55 -4.89 119.36 119.21 1jyn n ILE 279 Ca 0.12 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 63.10 1jyn n ILE 279 Cb 0.35 -1.26 0.00 0.00 -0.75 0.00 0.00 39.64 37.98 1jyn n ILE 279 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1jyn n ASP 280 N -3.19 0.00 0.30 4.38 5.68 -0.57 -5.00 116.55 118.15 1jyn n ASP 280 Ca -0.31 -0.81 0.17 0.00 -0.50 0.00 0.00 54.79 53.34 1jyn n ASP 280 Cb 0.80 0.00 0.90 0.00 -1.14 0.00 0.00 41.12 41.68 1jyn n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jyn h GLU 281 N 0.00 0.00 -0.01 0.11 3.07 -2.05 -0.06 114.58 115.64 1jyn h GLU 281 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jyn h GLU 281 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jyn h GLU 281 CO 0.00 0.00 -0.41 0.54 -1.40 0.00 0.00 179.01 177.74 1jyn n ARG 282 N -2.81 1.03 0.00 2.33 5.12 -1.26 -5.07 116.66 116.01 1jyn n ARG 282 Ca -0.02 -0.78 0.00 0.00 -1.93 0.00 0.00 57.85 55.12 1jyn n ARG 282 Cb 0.22 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1jyn n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jyn n GLY 283 N 1.39 0.15 0.00 -0.13 0.00 -0.04 -5.07 105.19 101.49 1jyn n GLY 283 Ca 0.10 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1jyn n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 284 N 0.00 4.21 3.50 -0.02 0.00 -1.26 -0.33 105.19 111.28 1jyn n GLY 284 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1jyn n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jyn s TYR 285 N -1.70 3.00 -0.13 1.61 2.02 -1.26 -4.88 117.35 116.00 1jyn s TYR 285 Ca 0.00 -0.20 0.30 0.00 -0.37 0.00 0.00 57.07 56.80 1jyn s TYR 285 Cb 0.00 -3.59 1.21 0.00 -0.40 0.00 0.00 41.96 39.18 1jyn s TYR 285 CO 0.00 -1.04 1.88 0.00 -1.57 0.00 0.00 175.55 174.82 1jyn h ALA 286 N 9.02 1.00 -0.56 3.71 0.00 -1.94 0.25 119.26 130.74 1jyn h ALA 286 Ca -0.26 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1jyn h ALA 286 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1jyn h ALA 286 CO 0.96 0.00 0.03 -0.40 0.00 0.00 0.00 179.25 179.84 1jyn n ASP 287 N -2.76 5.47 -4.24 0.00 5.75 -1.26 -3.48 116.55 116.02 1jyn n ASP 287 Ca 0.01 -2.98 -0.13 0.00 -0.01 0.00 0.00 54.79 51.68 1jyn n ASP 287 Cb 0.28 -0.68 -0.10 0.00 -1.03 0.00 0.00 41.12 39.59 1jyn n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jyn s ARG 288 N -2.81 1.21 -0.10 0.11 0.52 -1.09 -1.52 118.95 115.27 1jyn s ARG 288 Ca 0.54 -1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 53.83 1jyn s ARG 288 Cb 0.41 -0.02 0.07 0.00 0.52 0.00 0.00 34.95 35.94 1jyn s ARG 288 CO 0.15 -0.29 0.67 0.54 0.02 0.00 0.00 175.30 176.39 1jyn s VAL 289 N -3.91 0.00 -0.18 3.52 0.11 -0.55 -0.95 120.40 118.44 1jyn s VAL 289 Ca 0.33 -0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1jyn s VAL 289 Cb 0.07 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1jyn s VAL 289 CO 0.09 -0.01 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.83 1jyn s THR 290 N -0.80 2.71 -0.12 5.04 2.01 -1.26 -0.07 115.64 123.16 1jyn s THR 290 Ca -0.08 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 1jyn s THR 290 Cb -0.01 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 1jyn s THR 290 CO 0.07 0.50 0.06 -0.76 -0.69 0.00 0.00 174.62 173.81 1jyn s LEU 291 N 1.09 3.92 -0.14 4.42 2.01 -0.27 -4.93 118.68 124.78 1jyn s LEU 291 Ca -0.00 0.25 0.03 0.00 0.01 0.00 0.00 54.13 54.41 1jyn s LEU 291 Cb -0.14 -1.94 0.01 0.00 0.01 0.00 0.00 46.19 44.13 1jyn s LEU 291 CO -0.04 0.35 -0.22 -0.13 1.01 0.00 0.00 176.35 177.32 1jyn s ARG 292 N -0.67 3.03 -0.10 1.70 0.52 -1.26 -0.84 118.95 121.32 1jyn s ARG 292 Ca 0.12 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 1jyn s ARG 292 Cb -0.12 -2.43 -0.00 0.00 0.52 0.00 0.00 34.95 32.92 1jyn s ARG 292 CO 0.02 0.00 -0.22 -0.51 0.02 0.00 0.00 175.30 174.62 1jyn s LEU 293 N 0.77 2.20 0.00 2.53 1.43 0.57 -4.96 118.68 121.23 1jyn s LEU 293 Ca -0.08 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.28 1jyn s LEU 293 Cb -0.16 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1jyn s LEU 293 CO -0.01 0.17 0.68 0.20 0.23 0.00 0.00 176.35 177.62 1jyn s ASN 294 N 0.31 7.07 -0.12 2.29 0.01 -1.26 -0.23 114.94 123.01 1jyn s ASN 294 Ca -0.17 1.28 -0.01 0.00 -0.71 0.00 0.00 52.86 53.25 1jyn s ASN 294 Cb -0.17 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.10 1jyn s ASN 294 CO 0.08 0.03 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.96 1jyn s VAL 295 N 0.03 0.86 0.09 1.60 1.01 0.58 -4.89 120.40 119.68 1jyn s VAL 295 Ca 0.35 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 1jyn s VAL 295 Cb -0.19 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 1jyn s VAL 295 CO 0.20 0.27 0.71 -1.61 0.00 0.00 0.00 175.10 174.67 1jyn s GLU 296 N 1.77 4.44 -1.47 2.72 0.41 -1.26 -0.35 118.70 124.95 1jyn s GLU 296 Ca 0.04 0.99 -0.06 0.00 -0.41 0.00 0.00 54.97 55.53 1jyn s GLU 296 Cb -0.13 -3.30 0.05 0.00 -1.78 0.00 0.00 34.13 28.97 1jyn s GLU 296 CO -0.07 0.48 0.63 0.09 -0.49 0.00 0.00 175.26 175.89 1jyn n ASN 297 N 2.12 -1.77 -4.68 -0.19 5.03 0.48 -4.89 115.26 111.35 1jyn n ASN 297 Ca -0.06 -0.94 -0.37 0.00 0.87 0.00 0.00 54.58 54.08 1jyn n ASN 297 Cb 0.50 -3.30 0.07 0.00 -1.02 0.00 0.00 39.78 36.02 1jyn n ASN 297 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1jyn n PRO 298 N -4.42 0.93 -2.76 3.52 -0.04 -1.26 -4.92 135.00 126.05 1jyn n PRO 298 Ca -0.18 0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 1jyn n PRO 298 Cb 0.62 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 1jyn n PRO 298 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jyn s LYS 299 N -3.23 4.32 0.36 0.54 1.02 -1.26 -5.01 119.74 116.48 1jyn s LYS 299 Ca 0.80 1.23 -0.18 0.00 0.02 0.00 0.00 55.97 57.84 1jyn s LYS 299 Cb -0.38 -3.59 -0.10 0.00 -0.52 0.00 0.00 37.83 33.24 1jyn s LYS 299 CO 0.43 -0.42 0.82 -0.51 -0.92 0.00 0.00 175.35 174.75 1jyn s LEU 300 N 2.44 4.03 -0.01 3.17 1.43 -1.26 -4.47 118.68 124.01 1jyn s LEU 300 Ca 0.43 1.45 -0.10 0.00 -1.03 0.00 0.00 54.13 54.88 1jyn s LEU 300 Cb -0.17 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 1jyn s LEU 300 CO 0.12 -0.25 0.31 0.86 0.23 0.00 0.00 176.35 177.62 1jyn s TRP 301 N -2.04 3.64 0.33 0.29 -0.00 0.24 -3.87 118.94 117.54 1jyn s TRP 301 Ca 0.57 0.76 -0.17 0.00 -0.00 0.00 0.00 56.10 57.25 1jyn s TRP 301 Cb -0.10 -2.12 0.03 0.00 -0.00 0.00 0.00 33.47 31.29 1jyn s TRP 301 CO 0.16 0.64 0.73 -1.54 -0.00 0.00 0.00 176.95 176.94 1jyn s SER 302 N -1.31 -0.08 0.32 5.86 1.04 -0.78 -4.68 113.70 114.06 1jyn s SER 302 Ca 0.24 -0.92 0.13 0.00 0.48 0.00 0.00 55.95 55.88 1jyn s SER 302 Cb -0.14 0.78 0.51 0.00 0.10 0.00 0.00 66.02 67.26 1jyn s SER 302 CO 0.12 -1.50 1.69 0.00 0.98 0.00 0.00 173.24 174.53 1jyn h ALA 303 N 2.02 1.07 -0.41 5.32 0.00 -1.92 -1.99 119.26 123.35 1jyn h ALA 303 Ca -0.26 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 1jyn h ALA 303 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1jyn h ALA 303 CO 0.33 0.65 -0.18 0.93 0.00 0.00 0.00 179.25 180.97 1jyn h GLU 304 N 0.00 0.85 -2.48 0.00 5.08 -1.94 -3.40 114.58 112.69 1jyn h GLU 304 Ca -0.01 -0.36 -0.46 0.00 -1.00 0.00 0.00 59.36 57.53 1jyn h GLU 304 Cb 0.96 -0.03 -0.37 0.00 0.50 0.00 0.00 28.75 29.81 1jyn h GLU 304 CO 0.07 1.00 -0.73 0.42 -1.00 0.00 0.00 179.01 178.76 1jyn s ILE 305 N -4.67 -0.17 -1.54 3.13 1.01 -1.11 -4.97 121.20 112.87 1jyn s ILE 305 Ca -0.12 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 1jyn s ILE 305 Cb 0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1jyn s ILE 305 CO 0.84 -0.67 2.63 -0.81 0.00 0.00 0.00 174.94 176.94 1jyn n PRO 306 N 5.02 3.31 -1.74 2.79 -0.04 -0.76 -1.87 135.00 141.70 1jyn n PRO 306 Ca -0.01 -2.37 -0.42 0.00 -0.04 0.00 0.00 63.50 60.67 1jyn n PRO 306 Cb 0.43 -3.01 -0.03 0.00 -0.04 0.00 0.00 33.50 30.85 1jyn n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1jyn s ASN 307 N 2.65 6.40 0.08 3.54 0.01 -1.25 -4.89 114.94 121.49 1jyn s ASN 307 Ca 0.60 2.83 0.05 0.00 -0.71 0.00 0.00 52.86 55.62 1jyn s ASN 307 Cb 0.16 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1jyn s ASN 307 CO -0.07 -0.97 -0.12 -0.76 -1.51 0.00 0.00 177.10 173.66 1jyn s LEU 308 N 1.53 2.33 0.44 0.60 1.43 -1.26 -4.18 118.68 119.57 1jyn s LEU 308 Ca 0.76 -0.70 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 1jyn s LEU 308 Cb -0.48 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 1jyn s LEU 308 CO 0.33 -0.15 0.09 -0.31 0.23 0.00 0.00 176.35 176.53 1jyn s TYR 309 N -1.76 2.35 -0.11 0.29 1.51 -0.48 -4.74 117.35 114.42 1jyn s TYR 309 Ca 0.01 -0.71 0.02 0.00 -1.01 0.00 0.00 57.07 55.38 1jyn s TYR 309 Cb -0.07 -1.81 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1jyn s TYR 309 CO 0.02 0.26 -0.16 0.50 -1.11 0.00 0.00 175.55 175.06 1jyn s ARG 310 N -3.84 2.30 -0.19 -0.62 6.06 -0.06 -0.46 118.95 122.14 1jyn s ARG 310 Ca 0.31 -0.60 -0.08 0.00 -2.50 0.00 0.00 55.73 52.86 1jyn s ARG 310 Cb 0.06 -1.91 -0.04 0.00 0.06 0.00 0.00 34.95 33.11 1jyn s ARG 310 CO 0.17 -0.03 0.08 0.00 -2.50 0.00 0.00 175.30 173.02 1jyn s ALA 311 N 0.88 3.46 -0.12 6.12 0.00 -0.42 0.19 121.76 131.87 1jyn s ALA 311 Ca -0.09 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1jyn s ALA 311 Cb -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1jyn s ALA 311 CO -0.00 0.13 -0.23 0.08 0.00 0.00 0.00 175.76 175.74 1jyn s VAL 312 N 0.45 2.10 -0.22 0.00 1.01 -0.23 -1.09 120.40 122.42 1jyn s VAL 312 Ca 0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1jyn s VAL 312 Cb -0.12 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1jyn s VAL 312 CO 0.00 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 1jyn s VAL 313 N 0.52 3.28 -0.10 2.92 1.01 0.37 -1.35 120.40 127.06 1jyn s VAL 313 Ca -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1jyn s VAL 313 Cb -0.17 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1jyn s VAL 313 CO 0.05 0.39 -0.09 -1.61 0.00 0.00 0.00 175.10 173.83 1jyn s GLU 314 N 1.46 3.04 -0.23 2.72 2.02 -0.03 -1.35 118.70 126.33 1jyn s GLU 314 Ca 0.05 -0.61 -0.08 0.00 0.02 0.00 0.00 54.97 54.35 1jyn s GLU 314 Cb -0.15 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 1jyn s GLU 314 CO -0.04 0.46 0.09 -1.17 0.02 0.00 0.00 175.26 174.62 1jyn s LEU 315 N -0.27 3.65 0.38 1.80 2.96 0.47 -1.24 118.68 126.42 1jyn s LEU 315 Ca 0.03 -0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1jyn s LEU 315 Cb -0.13 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.62 1jyn s LEU 315 CO 0.03 0.03 0.60 -1.38 -1.32 0.00 0.00 176.35 174.31 1jyn s HIS 316 N 1.24 0.78 0.31 5.38 -3.43 -0.29 -0.26 115.29 119.02 1jyn s HIS 316 Ca 0.05 -1.18 0.05 0.00 -0.80 0.00 0.00 55.06 53.18 1jyn s HIS 316 Cb -0.14 0.25 -0.02 0.00 -1.43 0.00 0.00 32.58 31.24 1jyn s HIS 316 CO 0.04 -1.34 0.46 0.95 -2.00 0.00 0.00 174.74 172.85 1jyn s THR 317 N -2.60 4.63 0.56 -5.38 -4.23 0.19 -0.34 115.64 108.47 1jyn s THR 317 Ca 0.25 -0.89 0.25 0.00 -1.18 0.00 0.00 61.69 60.13 1jyn s THR 317 Cb -0.02 -3.64 0.34 0.00 1.34 0.00 0.00 72.50 70.52 1jyn s THR 317 CO 0.18 -0.28 2.14 0.00 -0.54 0.00 0.00 174.62 176.12 1jyn h ALA 318 N 0.93 1.87 0.00 3.99 0.00 -0.74 0.32 119.26 125.63 1jyn h ALA 318 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1jyn h ALA 318 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1jyn h ALA 318 CO 0.57 -0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 1jyn n ASP 319 N -4.08 0.00 0.00 0.00 5.68 -1.26 -4.88 116.55 112.01 1jyn n ASP 319 Ca 0.00 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 1jyn n ASP 319 Cb 0.23 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1jyn n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jyn n GLY 320 N 1.11 0.74 3.68 6.12 0.00 0.11 -5.06 105.19 111.89 1jyn n GLY 320 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1jyn n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyn s THR 321 N -2.02 3.82 0.14 2.61 2.01 -1.24 -4.72 115.64 116.24 1jyn s THR 321 Ca 0.00 1.12 -0.31 0.00 0.31 0.00 0.00 61.69 62.81 1jyn s THR 321 Cb 0.00 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 1jyn s THR 321 CO 0.00 -0.04 1.33 -0.22 -0.69 0.00 0.00 174.62 175.00 1jyn s LEU 322 N 2.97 4.39 -0.22 4.42 2.96 -1.26 -0.63 118.68 131.31 1jyn s LEU 322 Ca 0.64 2.30 -0.16 0.00 -0.22 0.00 0.00 54.13 56.68 1jyn s LEU 322 Cb -0.30 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.68 1jyn s LEU 322 CO 0.24 -0.58 -0.12 -0.38 -1.32 0.00 0.00 176.35 174.20 1jyn n ILE 323 N 3.49 1.51 -3.79 6.68 5.41 0.64 -4.93 119.36 128.36 1jyn n ILE 323 Ca 0.09 -0.08 -0.04 0.00 1.00 0.00 0.00 62.75 63.72 1jyn n ILE 323 Cb 0.43 -2.10 -0.01 0.00 -0.71 0.00 0.00 39.64 37.26 1jyn n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1jyn s GLU 324 N -2.47 1.36 0.01 0.38 -1.05 -1.04 -4.85 118.70 111.04 1jyn s GLU 324 Ca -0.30 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1jyn s GLU 324 Cb 0.08 0.45 -0.01 0.00 -0.44 0.00 0.00 34.13 34.21 1jyn s GLU 324 CO 0.47 -0.63 -0.02 0.00 0.95 0.00 0.00 175.26 176.04 1jyn s ALA 325 N -3.21 0.10 0.32 -0.84 0.00 -0.32 -0.39 121.76 117.42 1jyn s ALA 325 Ca 0.13 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 51.96 1jyn s ALA 325 Cb -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 1jyn s ALA 325 CO 0.04 -0.03 -0.02 -1.21 0.00 0.00 0.00 175.76 174.54 1jyn s GLU 326 N -0.43 1.69 0.14 0.00 0.41 -0.46 -1.90 118.70 118.15 1jyn s GLU 326 Ca -0.04 -1.90 -0.25 0.00 -0.41 0.00 0.00 54.97 52.37 1jyn s GLU 326 Cb -0.03 -1.23 0.07 0.00 -1.78 0.00 0.00 34.13 31.16 1jyn s GLU 326 CO -0.00 -0.03 0.79 0.00 -0.49 0.00 0.00 175.26 175.53 1jyn s ALA 327 N -2.99 -1.60 0.19 5.21 0.00 -1.26 -0.48 121.76 120.83 1jyn s ALA 327 Ca 0.33 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.47 1jyn s ALA 327 Cb 0.06 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.92 1jyn s ALA 327 CO 0.15 -0.87 0.59 0.00 0.00 0.00 0.00 175.76 175.62 1jyn s ASP 329 N -2.82 7.10 -0.03 0.00 1.01 -1.26 -1.31 116.67 119.35 1jyn s ASP 329 Ca 0.05 1.67 0.05 0.00 0.71 0.00 0.00 52.55 55.04 1jyn s ASP 329 Cb -0.02 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1jyn s ASP 329 CO -0.06 -0.18 -0.19 -0.69 0.21 0.00 0.00 175.17 174.26 1jyn s VAL 330 N -1.85 1.54 -0.15 -1.27 1.01 0.39 -4.72 120.40 115.36 1jyn s VAL 330 Ca 0.54 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1jyn s VAL 330 Cb -0.14 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1jyn s VAL 330 CO 0.19 0.44 -0.21 -0.83 0.00 0.00 0.00 175.10 174.69 1jyn s GLY 331 N -0.20 1.34 -0.55 4.51 0.00 -1.26 -1.38 107.32 109.77 1jyn s GLY 331 Ca 0.01 -1.10 -0.28 0.00 0.00 0.00 0.00 44.72 43.35 1jyn s GLY 331 CO 0.01 0.08 1.17 -1.36 0.00 0.00 0.00 173.10 173.01 1jyn s PHE 332 N 0.96 2.66 -0.03 1.90 0.40 -1.26 -4.82 117.98 117.79 1jyn s PHE 332 Ca -0.04 0.48 -0.30 0.00 -0.60 0.00 0.00 56.93 56.48 1jyn s PHE 332 Cb -0.15 -4.49 0.07 0.00 0.51 0.00 0.00 43.02 38.96 1jyn s PHE 332 CO -0.05 -1.50 0.65 -0.98 0.70 0.00 0.00 175.22 174.04 1jyn s ARG 333 N 4.81 1.06 -0.05 0.44 3.03 -1.26 -0.59 118.95 126.38 1jyn s ARG 333 Ca 0.44 0.18 0.06 0.00 2.03 0.00 0.00 55.73 58.44 1jyn s ARG 333 Cb -0.07 0.50 -0.02 0.00 -1.03 0.00 0.00 34.95 34.33 1jyn s ARG 333 CO 0.27 -0.34 -0.22 -2.00 -1.13 0.00 0.00 175.30 171.88 1jyn s GLU 334 N -1.39 2.52 -0.11 3.89 2.12 -1.26 -4.88 118.70 119.58 1jyn s GLU 334 Ca -0.10 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.40 1jyn s GLU 334 Cb -0.00 -2.22 0.01 0.00 0.26 0.00 0.00 34.13 32.18 1jyn s GLU 334 CO 0.08 0.45 -0.21 0.08 -0.54 0.00 0.00 175.26 175.12 1jyn s VAL 335 N -0.32 1.93 0.08 3.70 1.01 -1.26 -0.79 120.40 124.75 1jyn s VAL 335 Ca 0.01 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1jyn s VAL 335 Cb -0.13 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1jyn s VAL 335 CO 0.02 0.53 0.36 0.00 0.00 0.00 0.00 175.10 176.01 1jyn s ARG 336 N 0.63 0.93 -0.20 2.72 1.70 -0.56 -4.61 118.95 119.56 1jyn s ARG 336 Ca -0.13 -0.58 -0.07 0.00 -0.47 0.00 0.00 55.73 54.48 1jyn s ARG 336 Cb -0.17 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1jyn s ARG 336 CO 0.03 -0.33 0.06 0.42 -1.08 0.00 0.00 175.30 174.40 1jyn s ILE 337 N -3.10 4.62 -0.03 4.99 1.01 -1.26 -0.21 121.20 127.22 1jyn s ILE 337 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 1jyn s ILE 337 Cb 0.01 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.41 1jyn s ILE 337 CO -0.07 0.43 0.05 -0.70 0.00 0.00 0.00 174.94 174.66 1jyn s GLU 338 N 0.67 0.01 -1.32 2.79 2.12 0.76 -4.83 118.70 118.89 1jyn s GLU 338 Ca 0.03 0.19 -0.03 0.00 0.36 0.00 0.00 54.97 55.52 1jyn s GLU 338 Cb -0.13 -0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.11 1jyn s GLU 338 CO 0.02 -0.12 0.20 -1.71 -0.54 0.00 0.00 175.26 173.11 1jyn n ASN 339 N 3.89 -4.63 0.00 -1.70 5.15 -1.26 -1.51 115.26 115.20 1jyn n ASN 339 Ca -0.23 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1jyn n ASN 339 Cb 0.53 -3.86 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 1jyn n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jyn n GLY 340 N -1.04 0.77 3.29 8.20 0.00 -1.26 -5.03 105.19 110.11 1jyn n GLY 340 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1jyn n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyn s LEU 341 N 0.00 2.05 -0.29 0.99 1.43 -0.57 -2.33 118.68 119.96 1jyn s LEU 341 Ca 0.00 -0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 52.37 1jyn s LEU 341 Cb 0.00 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1jyn s LEU 341 CO 0.00 0.30 0.95 -0.22 0.23 0.00 0.00 176.35 177.61 1jyn s LEU 342 N -0.50 4.03 0.16 1.79 2.96 -1.26 -0.17 118.68 125.69 1jyn s LEU 342 Ca 0.07 1.01 0.09 0.00 -0.22 0.00 0.00 54.13 55.08 1jyn s LEU 342 Cb -0.11 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1jyn s LEU 342 CO -0.00 -0.71 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.42 1jyn s LEU 343 N 3.25 2.83 -0.11 -0.68 1.43 0.71 -2.06 118.68 124.06 1jyn s LEU 343 Ca 0.40 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1jyn s LEU 343 Cb -0.14 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1jyn s LEU 343 CO 0.11 0.13 -0.11 -0.22 0.23 0.00 0.00 176.35 176.49 1jyn s LEU 344 N -2.62 1.46 -1.35 1.79 2.96 0.88 -1.49 118.68 120.31 1jyn s LEU 344 Ca 0.22 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1jyn s LEU 344 Cb -0.09 -0.95 0.06 0.00 0.50 0.00 0.00 46.19 45.71 1jyn s LEU 344 CO 0.13 -0.05 0.52 0.59 -1.32 0.00 0.00 176.35 176.22 1jyn n ASN 345 N 4.56 -4.29 0.00 3.68 3.02 0.03 -1.36 115.26 120.90 1jyn n ASN 345 Ca -0.16 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1jyn n ASN 345 Cb 0.51 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 1jyn n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jyn n GLY 346 N -1.26 0.74 3.36 7.41 0.00 -1.26 -5.03 105.19 109.15 1jyn n GLY 346 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1jyn n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyn s LYS 347 N -0.07 2.10 0.06 1.61 -0.14 -0.46 -4.99 119.74 117.84 1jyn s LYS 347 Ca 0.00 -0.94 -0.31 0.00 -1.36 0.00 0.00 55.97 53.36 1jyn s LYS 347 Cb 0.00 -2.09 -0.06 0.00 -1.68 0.00 0.00 37.83 34.00 1jyn s LYS 347 CO 0.00 0.56 1.21 -1.25 -0.76 0.00 0.00 175.35 175.11 1jyn s PRO 348 N -0.85 4.42 0.62 -1.68 0.04 -1.26 -0.09 135.00 136.20 1jyn s PRO 348 Ca 0.11 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1jyn s PRO 348 Cb -0.10 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1jyn s PRO 348 CO 0.00 -0.29 1.02 -0.51 0.04 0.00 0.00 177.00 177.27 1jyn s LEU 349 N 1.16 3.24 -0.30 -3.56 1.43 -0.87 -4.92 118.68 114.86 1jyn s LEU 349 Ca 0.59 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1jyn s LEU 349 Cb -0.30 -4.40 0.09 0.00 0.03 0.00 0.00 46.19 41.61 1jyn s LEU 349 CO 0.29 -0.87 0.06 -0.22 0.23 0.00 0.00 176.35 175.84 1jyn s LEU 350 N -5.16 2.74 -0.32 1.79 2.96 -1.26 -4.79 118.68 114.65 1jyn s LEU 350 Ca 0.55 -1.64 -0.29 0.00 -0.22 0.00 0.00 54.13 52.53 1jyn s LEU 350 Cb -0.11 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.54 1jyn s LEU 350 CO 0.53 -0.38 1.26 -0.63 -1.32 0.00 0.00 176.35 175.81 1jyn s ILE 351 N 1.45 4.20 -1.03 6.68 -1.09 0.09 -4.92 121.20 126.58 1jyn s ILE 351 Ca 0.07 1.35 -0.06 0.00 -2.23 0.00 0.00 60.65 59.78 1jyn s ILE 351 Cb -0.18 -4.23 0.26 0.00 -1.58 0.00 0.00 42.46 36.73 1jyn s ILE 351 CO -0.18 -0.51 1.00 0.54 -1.23 0.00 0.00 174.94 174.56 1jyn n ARG 352 N 7.29 3.22 -3.74 2.79 1.74 -1.26 -2.27 116.66 124.43 1jyn n ARG 352 Ca 0.14 -4.47 -0.23 0.00 -0.77 0.00 0.00 57.85 52.52 1jyn n ARG 352 Cb 0.47 -2.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.39 1jyn n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1jyn s GLY 353 N 0.59 2.23 -0.05 -0.13 0.00 -0.10 -0.74 107.32 109.12 1jyn s GLY 353 Ca 0.30 -1.77 -0.11 0.00 0.00 0.00 0.00 44.72 43.13 1jyn s GLY 353 CO -0.09 -1.80 0.26 0.54 0.00 0.00 0.00 173.10 172.01 1jyn s VAL 354 N -2.58 0.04 0.12 1.40 0.11 -0.92 -1.22 120.40 117.34 1jyn s VAL 354 Ca 0.43 -0.34 -0.21 0.00 -2.93 0.00 0.00 61.98 58.94 1jyn s VAL 354 Cb -0.02 -0.49 -0.07 0.00 -1.53 0.00 0.00 36.38 34.27 1jyn s VAL 354 CO 0.25 -0.18 0.64 0.20 -3.33 0.00 0.00 175.10 172.68 1jyn s ASN 355 N -0.76 7.14 -0.07 3.54 0.01 0.29 -1.47 114.94 123.61 1jyn s ASN 355 Ca -0.09 1.37 -0.02 0.00 -0.71 0.00 0.00 52.86 53.41 1jyn s ASN 355 Cb -0.04 -2.40 0.04 0.00 0.41 0.00 0.00 41.25 39.25 1jyn s ASN 355 CO 0.02 0.23 0.05 -0.60 -1.51 0.00 0.00 177.10 175.29 1jyn s ARG 356 N -1.24 0.10 0.59 -0.60 3.52 -0.93 -0.68 118.95 119.70 1jyn s ARG 356 Ca 0.32 0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 56.05 1jyn s ARG 356 Cb -0.20 -0.87 -0.04 0.00 -1.56 0.00 0.00 34.95 32.28 1jyn s ARG 356 CO 0.21 -0.39 0.98 -1.01 -0.81 0.00 0.00 175.30 174.29 1jyn s HIS 357 N 2.12 3.60 -0.63 5.12 3.76 -1.26 -3.91 115.29 124.09 1jyn s HIS 357 Ca 0.04 1.23 -0.22 0.00 -0.15 0.00 0.00 55.06 55.96 1jyn s HIS 357 Cb -0.13 -2.66 0.08 0.00 1.11 0.00 0.00 32.58 30.98 1jyn s HIS 357 CO -0.05 -0.59 0.89 -1.21 -0.85 0.00 0.00 174.74 172.93 1jyn s GLU 358 N -5.00 3.10 -0.03 1.40 2.02 -1.26 -4.93 118.70 114.00 1jyn s GLU 358 Ca 0.54 -0.93 -0.02 0.00 0.02 0.00 0.00 54.97 54.58 1jyn s GLU 358 Cb -0.11 -4.23 0.02 0.00 0.10 0.00 0.00 34.13 29.91 1jyn s GLU 358 CO 0.50 -1.72 0.07 -1.58 0.02 0.00 0.00 175.26 172.55 1jyn s HIS 359 N 3.68 -0.06 -0.06 1.61 2.46 -1.26 -4.51 115.29 117.14 1jyn s HIS 359 Ca 0.20 0.21 0.02 0.00 0.47 0.00 0.00 55.06 55.96 1jyn s HIS 359 Cb -0.19 -0.05 0.01 0.00 -0.13 0.00 0.00 32.58 32.23 1jyn s HIS 359 CO 0.10 -0.07 -0.11 -1.58 -2.47 0.00 0.00 174.74 170.61 1jyn s HIS 360 N 0.43 1.34 0.48 3.88 5.04 0.13 -4.99 115.29 121.60 1jyn s HIS 360 Ca -0.03 -0.48 0.34 0.00 -1.54 0.00 0.00 55.06 53.34 1jyn s HIS 360 Cb -0.05 -1.00 1.81 0.00 0.04 0.00 0.00 32.58 33.38 1jyn s HIS 360 CO -0.02 -0.26 2.19 -1.00 -2.34 0.00 0.00 174.74 173.31 1jyn h PRO 361 N 7.00 0.00 0.00 2.88 0.13 -1.78 0.14 132.00 140.37 1jyn h PRO 361 Ca -0.32 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.49 1jyn h PRO 361 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1jyn h PRO 361 CO 0.47 0.05 -2.21 1.28 -0.23 0.00 0.00 178.00 177.36 1jyn n LEU 362 N -3.44 2.60 -0.96 1.56 4.77 -1.26 -1.47 117.00 118.81 1jyn n LEU 362 Ca -0.02 -0.10 0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1jyn n LEU 362 Cb 0.17 -0.60 0.25 0.00 -2.33 0.00 0.00 43.42 40.91 1jyn n LEU 362 CO 0.26 0.81 0.72 1.41 -1.33 0.00 0.00 177.39 179.25 1jyn n HIS 363 N -3.06 0.34 0.00 -1.77 8.25 -1.21 -4.94 115.22 112.83 1jyn n HIS 363 Ca -0.37 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 1jyn n HIS 363 Cb 0.92 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.03 1jyn n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jyn n GLY 364 N 1.38 2.09 0.91 -1.41 0.00 0.03 -3.30 105.19 104.90 1jyn n GLY 364 Ca 0.18 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1jyn n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jyn n GLN 365 N 5.12 2.81 -2.97 1.61 6.02 -1.26 0.21 117.38 128.92 1jyn n GLN 365 Ca 0.00 -2.28 -0.40 0.00 -0.01 0.00 0.00 57.00 54.31 1jyn n GLN 365 Cb 0.00 -1.38 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 1jyn n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jyn s VAL 366 N -1.00 4.99 -0.07 5.09 1.01 -1.21 -4.86 120.40 124.35 1jyn s VAL 366 Ca 0.33 1.56 -0.03 0.00 0.00 0.00 0.00 61.98 63.84 1jyn s VAL 366 Cb 0.17 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1jyn s VAL 366 CO 0.22 0.20 0.06 -0.04 0.00 0.00 0.00 175.10 175.55 1jyn s MET 367 N 1.07 3.14 0.18 2.72 -1.94 -1.26 -4.66 119.30 118.55 1jyn s MET 367 Ca 0.40 -0.35 0.07 0.00 -1.71 0.00 0.00 55.69 54.10 1jyn s MET 367 Cb -0.18 -2.93 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 1jyn s MET 367 CO 0.19 0.71 -0.14 0.16 -0.01 0.00 0.00 175.02 175.92 1jyn s ASP 368 N -1.15 2.39 0.23 3.03 -4.77 -1.26 -5.03 116.67 110.11 1jyn s ASP 368 Ca 0.16 -0.97 -0.05 0.00 -3.30 0.00 0.00 52.55 48.39 1jyn s ASP 368 Cb -0.12 -0.11 0.24 0.00 -1.09 0.00 0.00 42.92 41.84 1jyn s ASP 368 CO 0.06 -0.17 1.76 -0.08 0.70 0.00 0.00 175.17 177.43 1jyn h GLU 369 N 2.81 0.99 -0.66 2.11 4.81 -2.00 -1.88 114.58 120.76 1jyn h GLU 369 Ca -0.39 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 58.63 1jyn h GLU 369 Cb 1.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1jyn h GLU 369 CO 0.59 0.89 0.43 1.96 -0.73 0.00 0.00 179.01 182.15 1jyn h GLN 370 N 0.94 0.84 -0.50 1.92 7.50 -1.99 0.18 115.11 123.99 1jyn h GLN 370 Ca 0.20 -0.05 -0.12 0.00 0.50 0.00 0.00 58.65 59.18 1jyn h GLN 370 Cb 0.37 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 1jyn h GLN 370 CO 0.00 0.56 -0.15 1.15 -1.50 0.00 0.00 178.83 178.89 1jyn h THR 371 N 0.86 1.27 -0.21 -0.54 2.02 -1.93 -0.12 112.91 114.26 1jyn h THR 371 Ca 0.25 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1jyn h THR 371 Cb -0.07 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1jyn h THR 371 CO -0.07 0.45 0.14 0.24 0.37 0.00 0.00 175.52 176.65 1jyn h MET 372 N 0.85 0.28 -0.69 6.66 2.86 -0.80 0.64 114.93 124.73 1jyn h MET 372 Ca 0.13 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1jyn h MET 372 Cb 0.70 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1jyn h MET 372 CO 0.05 0.21 0.42 0.28 1.06 0.00 0.00 176.91 178.93 1jyn h VAL 373 N 0.28 1.20 -0.79 -2.22 2.07 -0.84 0.33 116.25 116.27 1jyn h VAL 373 Ca 0.08 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1jyn h VAL 373 Cb -0.01 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 1jyn h VAL 373 CO -0.02 0.20 0.49 -0.61 0.02 0.00 0.00 177.57 177.66 1jyn h GLN 374 N 0.94 0.89 0.24 1.57 4.15 -0.71 0.17 115.11 122.37 1jyn h GLN 374 Ca 0.25 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1jyn h GLN 374 Cb -0.04 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.45 1jyn h GLN 374 CO -0.05 0.59 -0.12 -0.44 -1.93 0.00 0.00 178.83 176.89 1jyn h ASP 375 N 0.92 -0.28 -0.83 -0.69 3.32 -0.22 -2.21 116.42 116.43 1jyn h ASP 375 Ca 0.33 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.37 1jyn h ASP 375 Cb 0.11 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.66 1jyn h ASP 375 CO -0.15 -0.07 0.49 0.40 -1.72 0.00 0.00 179.24 178.19 1jyn h ILE 376 N -0.48 0.94 -0.50 0.35 2.04 -0.56 0.11 117.51 119.41 1jyn h ILE 376 Ca -0.03 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1jyn h ILE 376 Cb 0.36 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1jyn h ILE 376 CO 0.06 0.15 -0.01 -0.07 0.00 0.00 0.00 178.15 178.28 1jyn h LEU 377 N 0.83 0.88 -0.80 1.44 3.38 -0.62 -1.00 115.31 119.43 1jyn h LEU 377 Ca 0.39 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1jyn h LEU 377 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jyn h LEU 377 CO -0.23 0.98 0.08 -0.07 0.09 0.00 0.00 178.44 179.29 1jyn h LEU 378 N 0.76 0.94 0.32 1.67 3.38 -0.72 0.48 115.31 122.14 1jyn h LEU 378 Ca 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jyn h LEU 378 Cb 0.53 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1jyn h LEU 378 CO 0.03 0.95 -0.28 0.24 0.09 0.00 0.00 178.44 179.47 1jyn h MET 379 N 0.93 -0.59 -0.89 1.13 2.86 -0.46 0.81 114.93 118.71 1jyn h MET 379 Ca 0.18 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1jyn h MET 379 Cb 0.43 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1jyn h MET 379 CO 0.01 -0.40 0.55 0.87 1.06 0.00 0.00 176.91 179.00 1jyn h LYS 380 N -0.62 1.21 0.00 1.72 1.57 -1.03 -0.76 116.57 118.66 1jyn h LYS 380 Ca -0.02 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1jyn h LYS 380 Cb 0.55 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1jyn h LYS 380 CO -0.04 0.84 -0.10 1.96 -0.57 0.00 0.00 179.45 181.54 1jyn h GLN 381 N 1.23 0.00 -0.69 3.15 4.20 -0.70 -1.56 115.11 120.74 1jyn h GLN 381 Ca 0.32 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.92 1jyn h GLN 381 Cb -0.06 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.65 1jyn h GLN 381 CO -0.06 0.10 0.15 0.09 -0.67 0.00 0.00 178.83 178.43 1jyn n ASN 382 N -3.78 5.14 -1.92 1.46 3.02 0.26 -4.95 115.26 114.49 1jyn n ASN 382 Ca -0.02 -3.04 -0.17 0.00 -0.03 0.00 0.00 54.58 51.31 1jyn n ASN 382 Cb 0.20 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.65 1jyn n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jyn n ASN 383 N 0.21 -5.03 -4.85 6.41 3.02 -0.59 -3.94 115.26 110.50 1jyn n ASN 383 Ca 0.34 0.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.53 1jyn n ASN 383 Cb 1.27 -4.12 -0.06 0.00 -0.61 0.00 0.00 39.78 36.26 1jyn n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1jyn s PHE 384 N -2.84 3.66 0.00 3.10 0.08 -0.52 -4.83 117.98 116.62 1jyn s PHE 384 Ca 0.00 0.97 0.00 0.00 0.12 0.00 0.00 56.93 58.02 1jyn s PHE 384 Cb 0.00 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 1jyn s PHE 384 CO 0.00 0.54 0.80 0.27 -0.10 0.00 0.00 175.22 176.74 1jyn n ASN 385 N 1.26 1.36 -3.56 1.36 0.23 0.08 -4.26 115.26 111.73 1jyn n ASN 385 Ca -0.10 -1.64 -0.13 0.00 -0.53 0.00 0.00 54.58 52.18 1jyn n ASN 385 Cb 0.52 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.17 1jyn n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jyn s ALA 386 N -0.64 -1.35 -0.01 -2.53 0.00 -1.11 -1.01 121.76 115.10 1jyn s ALA 386 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 1jyn s ALA 386 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1jyn s ALA 386 CO 0.00 -0.55 0.06 0.54 0.00 0.00 0.00 175.76 175.81 1jyn s VAL 387 N -2.69 0.03 -0.16 0.00 0.11 0.33 -2.17 120.40 115.85 1jyn s VAL 387 Ca -0.04 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1jyn s VAL 387 Cb -0.00 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1jyn s VAL 387 CO -0.04 -0.15 -0.05 -0.60 -3.33 0.00 0.00 175.10 170.93 1jyn s ARG 388 N -0.47 3.60 -1.02 1.54 3.52 -0.54 -1.58 118.95 124.01 1jyn s ARG 388 Ca -0.05 -0.55 -0.18 0.00 -0.13 0.00 0.00 55.73 54.81 1jyn s ARG 388 Cb -0.03 -2.90 -0.09 0.00 -1.56 0.00 0.00 34.95 30.37 1jyn s ARG 388 CO 0.00 0.18 2.05 0.00 -0.81 0.00 0.00 175.30 176.73 1jyn s SER 390 N 4.29 6.16 -0.39 0.00 1.04 -1.25 -1.15 113.70 122.39 1jyn s SER 390 Ca 0.53 1.82 0.09 0.00 0.48 0.00 0.00 55.95 58.88 1jyn s SER 390 Cb 0.14 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 64.01 1jyn s SER 390 CO 0.04 -1.41 0.60 1.41 0.98 0.00 0.00 173.24 174.87 1jyn n HIS 391 N 9.12 -0.39 -3.61 5.02 -0.00 -1.26 -4.18 115.22 119.92 1jyn n HIS 391 Ca 0.22 -3.53 -0.02 0.00 -0.00 0.00 0.00 57.72 54.38 1jyn n HIS 391 Cb 0.45 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.99 30.17 1jyn n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1jyn s TYR 392 N -1.42 -0.10 0.37 4.41 -0.85 -0.30 -4.33 117.35 115.14 1jyn s TYR 392 Ca 0.36 0.03 -0.27 0.00 -0.52 0.00 0.00 57.07 56.67 1jyn s TYR 392 Cb 0.22 0.52 -0.09 0.00 0.38 0.00 0.00 41.96 42.99 1jyn s TYR 392 CO -0.11 -0.21 1.31 -2.14 -1.52 0.00 0.00 175.55 172.88 1jyn s PRO 393 N -2.40 4.14 0.65 -3.49 0.02 -0.85 -4.54 135.00 128.54 1jyn s PRO 393 Ca 0.11 2.20 -0.02 0.00 0.02 0.00 0.00 61.00 63.31 1jyn s PRO 393 Cb 0.01 -2.90 0.07 0.00 0.02 0.00 0.00 34.50 31.70 1jyn s PRO 393 CO -0.04 -0.36 0.91 -0.80 -0.33 0.00 0.00 177.00 176.38 1jyn s ASN 394 N -0.61 4.82 0.42 2.53 0.02 -1.26 -4.83 114.94 116.03 1jyn s ASN 394 Ca 0.53 -0.01 -0.25 0.00 -1.02 0.00 0.00 52.86 52.11 1jyn s ASN 394 Cb -0.39 -0.64 -0.10 0.00 0.02 0.00 0.00 41.25 40.14 1jyn s ASN 394 CO 0.51 -1.51 1.13 1.57 0.02 0.00 0.00 177.10 178.82 1jyn n HIS 395 N -2.66 1.62 -0.12 2.20 -0.00 -1.26 -4.82 115.22 110.18 1jyn n HIS 395 Ca 0.10 0.54 0.13 0.00 -0.00 0.00 0.00 57.72 58.49 1jyn n HIS 395 Cb 0.60 -2.30 0.49 0.00 -0.00 0.00 0.00 29.99 28.78 1jyn n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1jyn h PRO 396 N 1.79 0.43 0.00 1.57 0.13 -1.96 -1.95 132.00 132.01 1jyn h PRO 396 Ca -0.46 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1jyn h PRO 396 Cb 1.32 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jyn h PRO 396 CO 0.58 0.28 -0.12 1.25 -0.23 0.00 0.00 178.00 179.77 1jyn h LEU 397 N 0.44 0.00 -0.71 1.56 5.85 -2.02 -2.87 115.31 117.57 1jyn h LEU 397 Ca 0.31 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.11 1jyn h LEU 397 Cb 0.61 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1jyn h LEU 397 CO -0.09 0.12 0.37 -0.25 -0.34 0.00 0.00 178.44 178.24 1jyn h TRP 398 N 0.00 0.67 -0.53 1.25 2.91 -1.69 -1.49 115.95 117.07 1jyn h TRP 398 Ca -0.00 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.95 1jyn h TRP 398 Cb 0.30 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.74 1jyn h TRP 398 CO 0.00 0.27 -0.07 1.88 -1.03 0.00 0.00 178.44 179.49 1jyn h TYR 399 N 0.65 1.04 -0.29 2.65 -1.99 -1.68 -0.03 116.97 117.31 1jyn h TYR 399 Ca 0.34 -0.19 0.04 0.00 2.00 0.00 0.00 58.73 60.91 1jyn h TYR 399 Cb 0.31 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 1jyn h TYR 399 CO -0.09 0.97 0.08 1.15 -0.00 0.00 0.00 178.16 180.26 1jyn h THR 400 N 0.86 0.89 -0.62 -2.88 2.02 -1.46 0.15 112.91 111.87 1jyn h THR 400 Ca 0.14 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 1jyn h THR 400 Cb 0.60 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1jyn h THR 400 CO 0.04 0.04 0.04 -0.07 0.37 0.00 0.00 175.52 175.94 1jyn h LEU 401 N 0.20 1.02 -0.81 2.58 3.38 -1.05 -1.74 115.31 118.88 1jyn h LEU 401 Ca 0.13 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1jyn h LEU 401 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jyn h LEU 401 CO -0.16 1.04 -0.30 0.00 0.09 0.00 0.00 178.44 179.12 1jyn h ASP 403 N 0.47 1.12 0.41 0.00 3.32 -0.41 -0.04 116.42 121.28 1jyn h ASP 403 Ca 0.06 -0.06 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 1jyn h ASP 403 Cb 0.76 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1jyn h ASP 403 CO 0.06 0.85 -1.72 0.03 -1.72 0.00 0.00 179.24 176.74 1jyn h ARG 404 N 1.28 0.12 0.00 3.56 3.08 -0.98 -3.33 114.38 118.11 1jyn h ARG 404 Ca 0.34 -0.21 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 1jyn h ARG 404 Cb -0.07 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1jyn h ARG 404 CO -0.06 0.84 -1.13 1.88 -1.07 0.00 0.00 179.97 180.42 1jyn h TYR 405 N 0.03 0.00 -0.88 3.04 0.05 -0.73 -3.46 116.97 115.03 1jyn h TYR 405 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1jyn h TYR 405 Cb 2.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.75 1jyn h TYR 405 CO 0.03 0.76 0.00 0.41 -1.05 0.00 0.00 178.16 178.32 1jyn n GLY 406 N 1.37 -0.95 3.07 3.88 0.00 -0.08 -4.81 105.19 107.67 1jyn n GLY 406 Ca -0.06 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1jyn n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyn s LEU 407 N 0.00 1.22 0.31 0.99 1.43 -0.92 -4.70 118.68 117.01 1jyn s LEU 407 Ca 0.00 0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 53.22 1jyn s LEU 407 Cb 0.00 0.65 -0.10 0.00 0.03 0.00 0.00 46.19 46.77 1jyn s LEU 407 CO 0.00 -0.07 0.96 -0.31 0.23 0.00 0.00 176.35 177.16 1jyn s TYR 408 N 0.18 3.72 -0.02 0.29 2.02 -0.18 -4.73 117.35 118.62 1jyn s TYR 408 Ca -0.01 1.80 0.04 0.00 -0.37 0.00 0.00 57.07 58.54 1jyn s TYR 408 Cb -0.02 -2.97 -0.01 0.00 -0.40 0.00 0.00 41.96 38.56 1jyn s TYR 408 CO -0.00 0.17 -0.15 0.08 -1.57 0.00 0.00 175.55 174.07 1jyn s VAL 409 N -1.51 1.23 -0.40 0.71 1.01 0.87 -0.51 120.40 121.79 1jyn s VAL 409 Ca 0.49 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 1jyn s VAL 409 Cb -0.21 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1jyn s VAL 409 CO 0.26 0.35 0.31 -0.69 0.00 0.00 0.00 175.10 175.34 1jyn s VAL 410 N -0.22 5.24 -0.15 2.92 1.01 -0.61 -1.04 120.40 127.55 1jyn s VAL 410 Ca 0.03 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 1jyn s VAL 410 Cb -0.08 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1jyn s VAL 410 CO 0.00 -0.29 0.53 -0.62 0.00 0.00 0.00 175.10 174.72 1jyn s ASP 411 N 1.70 6.67 -0.09 3.32 2.15 -0.68 -1.58 116.67 128.16 1jyn s ASP 411 Ca 0.06 0.81 0.03 0.00 0.43 0.00 0.00 52.55 53.88 1jyn s ASP 411 Cb -0.19 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.13 1jyn s ASP 411 CO 0.10 -0.10 -0.19 -0.70 -0.17 0.00 0.00 175.17 174.12 1jyn s GLU 412 N 1.09 2.50 0.61 4.34 2.12 -1.26 -0.35 118.70 127.75 1jyn s GLU 412 Ca 0.27 -0.69 -0.19 0.00 0.36 0.00 0.00 54.97 54.72 1jyn s GLU 412 Cb -0.16 -1.96 -0.03 0.00 0.26 0.00 0.00 34.13 32.25 1jyn s GLU 412 CO 0.11 0.10 1.23 0.00 -0.54 0.00 0.00 175.26 176.16 1jyn s ALA 413 N 0.53 2.51 -1.37 6.30 0.00 -0.73 -2.01 121.76 126.98 1jyn s ALA 413 Ca -0.16 1.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 1jyn s ALA 413 Cb -0.17 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.55 1jyn s ALA 413 CO 0.06 -1.28 2.01 -1.71 0.00 0.00 0.00 175.76 174.83 1jyn n ASN 414 N -1.65 4.43 -3.76 0.00 5.15 -1.26 -3.97 115.26 114.19 1jyn n ASN 414 Ca 0.14 -2.93 -0.27 0.00 -0.60 0.00 0.00 54.58 50.93 1jyn n ASN 414 Cb 0.49 -1.63 -0.17 0.00 -0.53 0.00 0.00 39.78 37.94 1jyn n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1jyn s ILE 415 N 2.64 0.56 -0.12 -1.44 1.01 -1.25 -4.77 121.20 117.83 1jyn s ILE 415 Ca 0.46 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 1jyn s ILE 415 Cb 0.10 -0.95 0.06 0.00 0.01 0.00 0.00 42.46 41.68 1jyn s ILE 415 CO -0.03 -0.06 0.25 -0.70 0.00 0.00 0.00 174.94 174.40 1jyn s GLU 416 N 1.86 0.17 -0.30 2.79 2.12 0.60 -1.55 118.70 124.39 1jyn s GLU 416 Ca 0.01 0.66 0.13 0.00 0.36 0.00 0.00 54.97 56.12 1jyn s GLU 416 Cb -0.16 -0.08 0.47 0.00 0.26 0.00 0.00 34.13 34.63 1jyn s GLU 416 CO -0.07 -0.24 1.14 0.25 -0.54 0.00 0.00 175.26 175.80 1jyn n THR 417 N 4.90 2.02 -0.33 -1.70 -2.24 -1.13 -1.18 114.28 114.62 1jyn n THR 417 Ca -0.14 -3.80 0.20 0.00 -2.27 0.00 0.00 64.05 58.05 1jyn n THR 417 Cb 0.51 -0.25 0.46 0.00 -2.10 0.00 0.00 70.33 68.95 1jyn n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1jyn h HIS 418 N 2.40 0.78 0.00 4.78 6.17 -1.55 -1.87 115.15 125.86 1jyn h HIS 418 Ca 0.17 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.28 1jyn h HIS 418 Cb 1.37 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 31.08 1jyn h HIS 418 CO 0.71 0.09 0.00 0.41 0.71 0.00 0.00 177.93 179.86 1jyn n GLY 419 N -1.43 -1.09 3.84 5.26 0.00 -1.21 -4.78 105.19 105.79 1jyn n GLY 419 Ca 0.25 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1jyn n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jyn s MET 420 N -2.44 3.01 -0.08 1.61 -1.94 -0.70 -4.75 119.30 114.00 1jyn s MET 420 Ca 0.29 0.76 -0.02 0.00 -1.71 0.00 0.00 55.69 55.01 1jyn s MET 420 Cb 0.18 -2.01 0.03 0.00 2.01 0.00 0.00 34.83 35.04 1jyn s MET 420 CO 0.38 -1.00 0.02 0.08 -0.01 0.00 0.00 175.02 174.50 1jyn s VAL 421 N -3.15 0.24 1.14 -6.03 1.01 -1.26 -3.22 120.40 109.12 1jyn s VAL 421 Ca 0.57 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 1jyn s VAL 421 Cb -0.13 -0.48 0.26 0.00 0.00 0.00 0.00 36.38 36.03 1jyn s VAL 421 CO 0.54 0.17 1.12 -2.16 0.00 0.00 0.00 175.10 174.77 1jyn s PRO 422 N 2.02 -0.73 0.54 2.72 0.04 -1.26 -4.84 135.00 133.49 1jyn s PRO 422 Ca 0.04 0.04 0.23 0.00 0.04 0.00 0.00 61.00 61.36 1jyn s PRO 422 Cb -0.13 -1.64 1.50 0.00 0.04 0.00 0.00 34.50 34.27 1jyn s PRO 422 CO -0.05 -3.40 2.16 1.98 0.04 0.00 0.00 177.00 177.73 1jyn h MET 423 N -2.36 0.00 -0.66 4.56 4.05 -1.85 -2.53 114.93 116.14 1jyn h MET 423 Ca -0.47 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.91 1jyn h MET 423 Cb 1.30 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.08 1jyn h MET 423 CO 0.40 0.05 0.05 0.27 0.23 0.00 0.00 176.91 177.91 1jyn n ASN 424 N -4.07 5.15 -0.30 1.39 6.94 -1.25 -3.83 115.26 119.29 1jyn n ASN 424 Ca -0.03 -2.89 0.06 0.00 -0.02 0.00 0.00 54.58 51.70 1jyn n ASN 424 Cb 0.13 -0.68 0.21 0.00 -2.36 0.00 0.00 39.78 37.08 1jyn n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1jyn h ARG 425 N 3.38 0.70 0.14 -3.83 2.43 -1.77 -1.37 114.38 114.07 1jyn h ARG 425 Ca 0.05 -0.04 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 1jyn h ARG 425 Cb 1.91 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 31.30 1jyn h ARG 425 CO 0.49 0.46 -1.75 -0.07 -1.51 0.00 0.00 179.97 177.59 1jyn h LEU 426 N 0.72 0.48 -1.36 3.80 3.38 -1.86 -3.34 115.31 117.12 1jyn h LEU 426 Ca 0.45 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jyn h LEU 426 Cb 0.54 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jyn h LEU 426 CO -0.31 1.67 0.00 0.71 0.09 0.00 0.00 178.44 180.60 1jyn h THR 427 N 0.08 0.00 -0.29 0.22 1.35 -1.76 -1.58 112.91 110.94 1jyn h THR 427 Ca -0.33 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1jyn h THR 427 Cb 2.06 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 1jyn h THR 427 CO 0.15 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.75 1jyn n ASP 428 N -2.94 2.87 -4.51 5.36 2.03 -0.54 -1.61 116.55 117.21 1jyn n ASP 428 Ca 0.01 -1.91 -0.38 0.00 0.52 0.00 0.00 54.79 53.03 1jyn n ASP 428 Cb 0.29 -0.18 -0.12 0.00 -0.72 0.00 0.00 41.12 40.39 1jyn n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1jyn s ASP 429 N -1.56 5.64 0.57 1.67 -1.08 -0.59 -4.61 116.67 116.71 1jyn s ASP 429 Ca 0.36 -0.20 0.34 0.00 -0.52 0.00 0.00 52.55 52.53 1jyn s ASP 429 Cb 0.21 -2.03 1.71 0.00 -1.46 0.00 0.00 42.92 41.35 1jyn s ASP 429 CO 0.30 -0.09 2.14 1.55 0.52 0.00 0.00 175.17 179.59 1jyn h PRO 430 N 8.33 0.00 0.00 4.34 0.13 -1.91 -0.45 132.00 142.45 1jyn h PRO 430 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1jyn h PRO 430 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1jyn h PRO 430 CO 0.58 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1jyn h ARG 431 N 0.00 0.00 -0.03 0.86 3.08 -1.93 -1.66 114.38 114.70 1jyn h ARG 431 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jyn h ARG 431 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1jyn h ARG 431 CO 0.01 0.00 -0.01 0.91 -1.07 0.00 0.00 179.97 179.80 1jyn n TRP 432 N -2.40 0.00 -0.29 3.04 7.02 -0.18 -4.48 117.44 120.15 1jyn n TRP 432 Ca 0.01 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.45 1jyn n TRP 432 Cb 0.19 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.15 1jyn n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1jyn h LEU 433 N 4.28 0.92 0.19 -0.99 5.85 -1.28 -0.23 115.31 124.05 1jyn h LEU 433 Ca 0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1jyn h LEU 433 Cb 0.91 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1jyn h LEU 433 CO 0.00 0.69 -0.11 -0.65 -0.34 0.00 0.00 178.44 178.02 1jyn h PRO 434 N 1.07 -0.28 -0.70 5.25 0.11 -1.79 0.59 132.00 136.26 1jyn h PRO 434 Ca 0.29 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 1jyn h PRO 434 Cb -0.09 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 1jyn h PRO 434 CO -0.06 -0.19 0.38 0.00 -0.21 0.00 0.00 178.00 177.92 1jyn h ALA 435 N 0.51 0.90 -0.35 -0.75 0.00 -1.74 -1.86 119.26 115.97 1jyn h ALA 435 Ca -0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1jyn h ALA 435 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jyn h ALA 435 CO 0.02 0.42 -0.27 0.52 0.00 0.00 0.00 179.25 179.95 1jyn h MET 436 N 0.96 0.71 -0.80 0.00 2.86 -0.64 -3.02 114.93 115.00 1jyn h MET 436 Ca 0.25 -0.30 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1jyn h MET 436 Cb 0.05 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 1jyn h MET 436 CO -0.04 0.90 0.50 0.66 1.06 0.00 0.00 176.91 180.00 1jyn h SER 437 N 0.61 0.82 0.07 1.22 4.64 0.96 -1.23 113.55 120.64 1jyn h SER 437 Ca 0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1jyn h SER 437 Cb 0.77 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1jyn h SER 437 CO 0.06 0.55 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.19 1jyn h GLU 438 N 0.96 0.00 0.00 4.77 5.08 -1.26 0.27 114.58 124.41 1jyn h GLU 438 Ca 0.33 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1jyn h GLU 438 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1jyn h GLU 438 CO -0.13 0.06 -0.47 0.00 -1.00 0.00 0.00 179.01 177.47 1jyn h ARG 439 N 0.00 0.00 0.00 2.33 3.08 -1.19 -1.98 114.38 116.63 1jyn h ARG 439 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1jyn h ARG 439 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1jyn h ARG 439 CO 0.01 0.47 -1.00 0.28 -1.07 0.00 0.00 179.97 178.66 1jyn h VAL 440 N 0.00 0.92 -0.72 2.04 2.07 -1.18 -3.34 116.25 116.04 1jyn h VAL 440 Ca -0.00 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 1jyn h VAL 440 Cb 0.93 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 1jyn h VAL 440 CO 0.06 0.31 0.39 0.71 0.02 0.00 0.00 177.57 179.06 1jyn h THR 441 N -1.00 1.22 0.00 2.57 1.35 -0.55 -2.02 112.91 114.48 1jyn h THR 441 Ca -0.26 -0.56 -0.04 0.00 -0.55 0.00 0.00 66.41 65.00 1jyn h THR 441 Cb 1.16 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1jyn h THR 441 CO -0.16 0.25 -0.20 0.03 -0.25 0.00 0.00 175.52 175.19 1jyn h ARG 442 N 0.99 0.00 -0.05 4.72 3.08 -1.56 -0.79 114.38 120.77 1jyn h ARG 442 Ca 0.25 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 1jyn h ARG 442 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.10 1jyn h ARG 442 CO -0.04 0.20 -0.45 1.98 -1.07 0.00 0.00 179.97 180.58 1jyn h MET 443 N 0.00 0.40 -0.78 0.04 4.05 -1.56 -2.33 114.93 114.76 1jyn h MET 443 Ca -0.00 -0.36 -0.05 0.00 -0.28 0.00 0.00 59.70 59.00 1jyn h MET 443 Cb 0.61 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.46 1jyn h MET 443 CO 0.03 1.01 0.27 0.28 0.23 0.00 0.00 176.91 178.73 1jyn h VAL 444 N -0.09 1.26 0.00 -5.77 2.07 -1.17 -1.05 116.25 111.51 1jyn h VAL 444 Ca -0.04 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1jyn h VAL 444 Cb 1.13 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1jyn h VAL 444 CO 0.09 0.35 -0.11 1.56 0.02 0.00 0.00 177.57 179.49 1jyn h GLN 445 N 1.15 0.00 0.15 1.57 4.20 -1.12 -2.13 115.11 118.93 1jyn h GLN 445 Ca 0.25 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.67 1jyn h GLN 445 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1jyn h GLN 445 CO -0.01 0.11 -1.45 -0.09 -0.67 0.00 0.00 178.83 176.71 1jyn h ARG 446 N 0.00 0.32 -0.02 1.46 2.43 -0.91 -3.09 114.38 114.57 1jyn h ARG 446 Ca -0.00 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1jyn h ARG 446 Cb 0.21 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1jyn h ARG 446 CO 0.01 1.26 -0.12 -0.25 -1.51 0.00 0.00 179.97 179.37 1jyn n ASP 447 N -3.83 2.29 0.27 -3.80 8.00 -0.44 -4.27 116.55 114.76 1jyn n ASP 447 Ca -0.23 -1.64 0.19 0.00 0.71 0.00 0.00 54.79 53.81 1jyn n ASP 447 Cb 0.96 0.15 0.99 0.00 -0.02 0.00 0.00 41.12 43.20 1jyn n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1jyn h ARG 448 N 3.11 0.00 -0.17 -1.24 0.11 -1.60 -1.57 114.38 113.01 1jyn h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jyn h ARG 448 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1jyn h ARG 448 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1jyn n ASN 449 N -2.77 2.13 -4.64 0.08 3.02 -1.26 -4.87 115.26 106.95 1jyn n ASN 449 Ca -0.02 -1.76 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 1jyn n ASN 449 Cb 0.06 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.07 1jyn n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1jyn s HIS 450 N -1.79 3.32 0.46 3.10 3.76 -0.60 -4.85 115.29 118.69 1jyn s HIS 450 Ca 0.34 1.01 0.15 0.00 -0.15 0.00 0.00 55.06 56.41 1jyn s HIS 450 Cb 0.19 -2.93 1.04 0.00 1.11 0.00 0.00 32.58 31.99 1jyn s HIS 450 CO 0.29 -0.32 2.01 -1.00 -0.85 0.00 0.00 174.74 174.87 1jyn h PRO 451 N 7.68 0.00 0.00 8.40 0.13 -1.87 -2.50 132.00 143.84 1jyn h PRO 451 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1jyn h PRO 451 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1jyn h PRO 451 CO 0.82 0.16 -0.08 0.66 -0.23 0.00 0.00 178.00 179.33 1jyn h SER 452 N 0.00 0.00 -3.20 1.44 4.64 -1.87 -3.40 113.55 111.16 1jyn h SER 452 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1jyn h SER 452 Cb 0.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 1jyn h SER 452 CO 0.02 0.08 0.89 -0.69 -0.87 0.00 0.00 176.83 176.26 1jyn s VAL 453 N -4.23 4.37 -0.11 0.95 1.01 -0.94 -0.09 120.40 121.35 1jyn s VAL 453 Ca -0.03 1.59 0.09 0.00 0.00 0.00 0.00 61.98 63.63 1jyn s VAL 453 Cb 0.13 -4.28 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 1jyn s VAL 453 CO 0.56 -0.42 0.24 2.30 0.00 0.00 0.00 175.10 177.77 1jyn n ILE 454 N 5.89 0.00 -3.86 2.22 -5.35 -0.21 -4.90 119.36 113.15 1jyn n ILE 454 Ca 0.13 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 1jyn n ILE 454 Cb 0.47 0.47 -0.12 0.00 -1.74 0.00 0.00 39.64 38.72 1jyn n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1jyn s ILE 455 N -2.43 0.04 -0.00 7.28 1.01 -1.18 -3.89 121.20 122.03 1jyn s ILE 455 Ca -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1jyn s ILE 455 Cb 0.06 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 1jyn s ILE 455 CO 0.37 -0.18 0.12 0.26 0.00 0.00 0.00 174.94 175.51 1jyn s TRP 456 N -0.58 3.40 -0.03 3.97 0.52 -0.46 -1.69 118.94 124.06 1jyn s TRP 456 Ca -0.07 0.27 0.05 0.00 0.02 0.00 0.00 56.10 56.37 1jyn s TRP 456 Cb -0.04 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1jyn s TRP 456 CO 0.00 0.59 -0.18 0.45 0.02 0.00 0.00 176.95 177.83 1jyn s SER 457 N -1.84 2.23 0.00 2.95 0.15 0.52 0.03 113.70 117.74 1jyn s SER 457 Ca 0.25 -0.36 0.11 0.00 0.70 0.00 0.00 55.95 56.66 1jyn s SER 457 Cb -0.12 -0.45 0.67 0.00 -1.71 0.00 0.00 66.02 64.41 1jyn s SER 457 CO 0.16 0.19 1.31 0.18 1.20 0.00 0.00 173.24 176.29 1jyn n LEU 458 N 2.89 0.00 0.00 3.45 4.77 -0.81 -1.78 117.00 125.52 1jyn n LEU 458 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1jyn n LEU 458 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1jyn n LEU 458 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1jyn n GLY 459 N 0.49 0.38 3.31 -0.72 0.00 -1.25 -4.64 105.19 102.76 1jyn n GLY 459 Ca 0.08 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 1jyn n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jyn s ASN 460 N -4.00 -0.40 -0.98 1.61 2.47 -0.59 -4.74 114.94 108.30 1jyn s ASN 460 Ca 0.00 0.69 -0.20 0.00 0.42 0.00 0.00 52.86 53.77 1jyn s ASN 460 Cb 0.00 0.73 0.03 0.00 -1.45 0.00 0.00 41.25 40.56 1jyn s ASN 460 CO 0.00 -0.24 0.59 -0.62 -3.72 0.00 0.00 177.10 173.12 1jyn n GLU 461 N 2.41 -0.70 -1.04 0.43 1.02 -1.26 -4.06 120.64 117.43 1jyn n GLU 461 Ca -0.15 0.26 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 1jyn n GLU 461 Cb 0.57 -2.09 0.09 0.00 -0.02 0.00 0.00 31.44 29.98 1jyn n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1jyn n SER 462 N -2.06 1.24 -0.04 1.62 7.64 -1.26 -1.61 113.62 119.15 1jyn n SER 462 Ca -0.18 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1jyn n SER 462 Cb 0.56 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1jyn n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jyn n GLY 463 N -0.19 0.82 2.94 0.23 0.00 -1.25 -3.93 105.19 103.80 1jyn n GLY 463 Ca 0.11 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1jyn n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jyn s HIS 464 N 0.00 1.79 0.36 1.61 2.46 -1.26 -3.46 115.29 116.78 1jyn s HIS 464 Ca 0.00 -1.02 0.06 0.00 0.47 0.00 0.00 55.06 54.57 1jyn s HIS 464 Cb 0.00 -1.38 -0.07 0.00 -0.13 0.00 0.00 32.58 31.00 1jyn s HIS 464 CO 0.00 -0.60 0.01 0.20 -2.47 0.00 0.00 174.74 171.88 1jyn s GLY 465 N 1.61 2.24 0.53 1.59 0.00 -1.26 -4.84 107.32 107.19 1jyn s GLY 465 Ca 0.03 -2.15 0.20 0.00 0.00 0.00 0.00 44.72 42.80 1jyn s GLY 465 CO -0.09 -1.96 2.15 0.00 0.00 0.00 0.00 173.10 173.21 1jyn h ALA 466 N 1.98 1.81 -0.12 3.20 0.00 -1.81 -1.09 119.26 123.24 1jyn h ALA 466 Ca -0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1jyn h ALA 466 Cb 1.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1jyn h ALA 466 CO 0.74 0.04 0.01 -0.91 0.00 0.00 0.00 179.25 179.13 1jyn h ASN 467 N 0.00 0.15 -0.58 0.00 2.35 -1.62 -0.68 115.58 115.20 1jyn h ASN 467 Ca -0.00 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1jyn h ASN 467 Cb 0.06 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1jyn h ASN 467 CO 0.00 0.18 -0.02 0.45 -1.65 0.00 0.00 177.43 176.40 1jyn h HIS 468 N 0.17 1.14 -0.21 1.19 3.86 -1.36 -1.35 115.15 118.57 1jyn h HIS 468 Ca 0.04 -0.20 -0.15 0.00 -1.16 0.00 0.00 60.37 58.90 1jyn h HIS 468 Cb 0.11 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1jyn h HIS 468 CO 0.00 1.02 -0.50 -0.44 0.86 0.00 0.00 177.93 178.87 1jyn h ASP 469 N 0.93 0.64 -0.63 2.45 3.32 -1.21 0.14 116.42 122.06 1jyn h ASP 469 Ca 0.16 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1jyn h ASP 469 Cb 0.57 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1jyn h ASP 469 CO 0.03 1.03 0.28 0.00 -1.72 0.00 0.00 179.24 178.86 1jyn h ALA 470 N 0.99 0.82 -0.01 3.45 0.00 -0.99 -2.48 119.26 121.04 1jyn h ALA 470 Ca 0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1jyn h ALA 470 Cb 1.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1jyn h ALA 470 CO 0.10 0.41 -0.74 -0.07 0.00 0.00 0.00 179.25 178.94 1jyn h LEU 471 N 0.88 0.11 -0.32 0.00 3.38 -0.90 -1.10 115.31 117.36 1jyn h LEU 471 Ca 0.21 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1jyn h LEU 471 Cb 0.16 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1jyn h LEU 471 CO -0.02 0.81 0.15 0.22 0.09 0.00 0.00 178.44 179.68 1jyn h TYR 472 N 0.05 0.28 -0.08 1.13 3.20 -0.61 -1.54 116.97 119.40 1jyn h TYR 472 Ca -0.02 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 1jyn h TYR 472 Cb 1.30 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1jyn h TYR 472 CO 0.01 0.15 -0.55 -0.09 -1.64 0.00 0.00 178.16 176.04 1jyn h ARG 473 N 0.32 0.24 -0.33 1.82 9.65 -1.19 -1.20 114.38 123.68 1jyn h ARG 473 Ca 0.13 -0.15 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1jyn h ARG 473 Cb 0.06 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 1jyn h ARG 473 CO -0.10 0.73 0.13 2.35 2.80 0.00 0.00 179.97 185.88 1jyn h TRP 474 N 0.18 0.24 -0.46 2.20 7.01 -0.87 0.14 115.95 124.40 1jyn h TRP 474 Ca 0.00 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1jyn h TRP 474 Cb 1.03 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.01 1jyn h TRP 474 CO 0.02 0.12 0.12 0.82 -2.79 0.00 0.00 178.44 176.72 1jyn h ILE 475 N 0.29 1.23 -0.69 2.65 2.04 -0.87 0.08 117.51 122.24 1jyn h ILE 475 Ca 0.15 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.28 1jyn h ILE 475 Cb 0.10 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1jyn h ILE 475 CO -0.13 0.29 0.45 0.11 0.00 0.00 0.00 178.15 178.87 1jyn h LYS 476 N 0.62 0.62 0.00 2.37 1.79 -0.94 0.66 116.57 121.68 1jyn h LYS 476 Ca 0.15 -0.04 -0.21 0.00 -2.18 0.00 0.00 60.65 58.37 1jyn h LYS 476 Cb 0.31 -0.14 0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1jyn h LYS 476 CO 0.00 0.41 -0.83 1.03 -1.08 0.00 0.00 179.45 178.98 1jyn h SER 477 N 0.63 0.72 1.53 0.86 0.87 -0.24 -3.32 113.55 114.61 1jyn h SER 477 Ca 0.31 -0.75 -0.07 0.00 -1.23 0.00 0.00 61.79 60.04 1jyn h SER 477 Cb 0.38 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1jyn h SER 477 CO -0.10 1.38 -0.48 -0.37 -0.53 0.00 0.00 176.83 176.73 1jyn h VAL 478 N 0.14 0.49 -2.24 2.23 -1.51 -0.55 -3.42 116.25 111.39 1jyn h VAL 478 Ca -0.10 -1.72 -0.47 0.00 -1.23 0.00 0.00 66.70 63.17 1jyn h VAL 478 Cb 1.51 2.18 -0.35 0.00 -2.13 0.00 0.00 31.29 32.50 1jyn h VAL 478 CO 0.16 0.28 -0.78 -0.62 -1.23 0.00 0.00 177.57 175.38 1jyn s ASP 479 N -6.22 1.92 0.00 4.19 2.15 0.18 -4.95 116.67 113.95 1jyn s ASP 479 Ca 0.04 -1.97 0.21 0.00 0.43 0.00 0.00 52.55 51.26 1jyn s ASP 479 Cb 0.07 0.09 1.12 0.00 -0.30 0.00 0.00 42.92 43.91 1jyn s ASP 479 CO 0.73 -0.27 1.68 -2.65 -0.17 0.00 0.00 175.17 174.49 1jyn n PRO 480 N 4.01 0.39 0.02 4.34 -0.02 -1.25 -3.51 135.00 138.99 1jyn n PRO 480 Ca 0.13 0.07 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1jyn n PRO 480 Cb 0.42 -1.50 0.52 0.00 -0.02 0.00 0.00 33.50 32.92 1jyn n PRO 480 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jyn n SER 481 N -1.22 0.17 -3.94 2.55 3.41 -1.26 -4.78 113.62 108.55 1jyn n SER 481 Ca 0.11 0.52 -0.16 0.00 -0.26 0.00 0.00 58.87 59.08 1jyn n SER 481 Cb 0.15 -0.57 -0.15 0.00 -0.26 0.00 0.00 64.21 63.38 1jyn n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jyn s ARG 482 N -3.03 0.47 0.86 4.33 0.52 -1.23 -4.21 118.95 116.65 1jyn s ARG 482 Ca 0.12 -0.15 -0.10 0.00 -0.52 0.00 0.00 55.73 55.07 1jyn s ARG 482 Cb 0.15 -0.47 0.11 0.00 0.52 0.00 0.00 34.95 35.26 1jyn s ARG 482 CO 0.48 0.07 1.12 -2.14 0.02 0.00 0.00 175.30 174.84 1jyn s PRO 483 N 0.12 1.53 -0.11 3.54 0.02 -1.25 -4.75 135.00 134.09 1jyn s PRO 483 Ca -0.01 1.35 0.01 0.00 0.02 0.00 0.00 61.00 62.37 1jyn s PRO 483 Cb -0.05 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 1jyn s PRO 483 CO -0.00 -2.21 -0.14 0.08 -0.33 0.00 0.00 177.00 174.40 1jyn s VAL 484 N -2.77 3.03 0.22 3.83 1.01 -1.26 -1.35 120.40 123.12 1jyn s VAL 484 Ca 0.64 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1jyn s VAL 484 Cb -0.20 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1jyn s VAL 484 CO 0.57 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 176.16 1jyn s GLN 485 N 0.06 1.33 -0.29 2.72 -2.07 0.10 -0.27 119.66 121.24 1jyn s GLN 485 Ca -0.05 -1.64 -0.16 0.00 -1.82 0.00 0.00 55.36 51.69 1jyn s GLN 485 Cb -0.15 -0.80 0.14 0.00 -1.09 0.00 0.00 33.01 31.12 1jyn s GLN 485 CO 0.04 0.00 0.96 -0.47 -1.32 0.00 0.00 175.29 174.51 1jyn s TYR 486 N -3.25 -0.62 -0.21 9.60 5.04 -1.26 -1.92 117.35 124.74 1jyn s TYR 486 Ca 0.25 1.21 0.19 0.00 -2.44 0.00 0.00 57.07 56.29 1jyn s TYR 486 Cb 0.04 0.37 0.01 0.00 0.35 0.00 0.00 41.96 42.72 1jyn s TYR 486 CO 0.07 -0.30 1.11 1.49 -1.34 0.00 0.00 175.55 176.58 1jyn h GLU 487 N 6.27 0.00 -7.11 4.97 4.22 -1.85 -3.42 114.58 117.65 1jyn h GLU 487 Ca -0.27 0.00 -0.55 0.00 0.08 0.00 0.00 59.36 58.62 1jyn h GLU 487 Cb 1.19 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.59 1jyn h GLU 487 CO 0.18 0.19 0.50 0.20 -2.18 0.00 0.00 179.01 177.90 1jyn s GLY 488 N -4.51 2.80 -0.25 1.92 0.00 -1.26 -0.64 107.32 105.39 1jyn s GLY 488 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.89 1jyn s GLY 488 CO 0.77 1.59 0.00 0.61 0.00 0.00 0.00 173.10 176.08 1jyn n GLY 489 N 0.82 0.56 0.00 0.20 0.00 -1.22 -3.98 105.19 101.57 1jyn n GLY 489 Ca 0.15 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1jyn n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 490 N -2.71 0.96 3.72 -0.02 0.00 -1.23 -4.75 105.19 101.16 1jyn n GLY 490 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1jyn n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jyn n ALA 491 N -0.33 0.00 -2.47 4.61 0.00 0.19 -4.70 120.51 117.80 1jyn n ALA 491 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1jyn n ALA 491 Cb 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 19.45 19.02 1jyn n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jyn n ASP 492 N 0.00 1.23 -3.38 0.00 5.75 -1.26 -1.99 116.55 116.89 1jyn n ASP 492 Ca 0.00 -2.20 -0.23 0.00 -0.01 0.00 0.00 54.79 52.35 1jyn n ASP 492 Cb 0.00 -0.35 0.17 0.00 -1.03 0.00 0.00 41.12 39.91 1jyn n ASP 492 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1jyn n THR 493 N 0.16 0.00 1.30 2.12 -2.24 -1.26 -4.90 114.28 109.46 1jyn n THR 493 Ca 0.08 -0.57 0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1jyn n THR 493 Cb 1.05 -1.41 0.64 0.00 -2.10 0.00 0.00 70.33 68.50 1jyn n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jyn n THR 494 N -3.83 0.10 -0.62 4.28 -2.24 -1.26 -2.94 114.28 107.77 1jyn n THR 494 Ca 0.12 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 1jyn n THR 494 Cb 0.45 -0.67 0.35 0.00 -2.10 0.00 0.00 70.33 68.36 1jyn n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyn n ALA 495 N -1.09 3.04 -2.92 6.98 0.00 -1.26 -4.95 120.51 120.31 1jyn n ALA 495 Ca 0.15 -1.61 -0.13 0.00 0.00 0.00 0.00 53.44 51.86 1jyn n ALA 495 Cb 0.11 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 1jyn n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1jyn s THR 496 N -1.83 0.04 -0.91 0.00 -1.32 -1.15 -4.12 115.64 106.35 1jyn s THR 496 Ca 0.51 -0.01 0.25 0.00 -1.21 0.00 0.00 61.69 61.23 1jyn s THR 496 Cb 0.32 -0.05 0.05 0.00 -1.51 0.00 0.00 72.50 71.31 1jyn s THR 496 CO 0.24 0.02 1.46 0.47 -2.21 0.00 0.00 174.62 174.61 1jyn n ASP 497 N 3.15 0.48 -4.05 8.08 8.00 0.62 -4.83 116.55 128.00 1jyn n ASP 497 Ca -0.13 -0.05 -0.23 0.00 0.71 0.00 0.00 54.79 55.08 1jyn n ASP 497 Cb 0.59 0.12 -0.16 0.00 -0.02 0.00 0.00 41.12 41.65 1jyn n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jyn s ILE 498 N -3.04 1.08 -0.18 0.53 1.01 -1.26 -4.52 121.20 114.82 1jyn s ILE 498 Ca 0.10 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 1jyn s ILE 498 Cb 0.17 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 1jyn s ILE 498 CO 0.68 0.33 1.34 -0.63 0.00 0.00 0.00 174.94 176.65 1jyn s ILE 499 N 0.23 4.14 -0.45 2.92 1.01 0.14 -4.70 121.20 124.49 1jyn s ILE 499 Ca -0.06 1.36 0.08 0.00 0.00 0.00 0.00 60.65 62.04 1jyn s ILE 499 Cb -0.11 -3.95 0.29 0.00 0.01 0.00 0.00 42.46 38.70 1jyn s ILE 499 CO 0.02 -0.20 0.69 0.00 0.00 0.00 0.00 174.94 175.44 1jyn s PRO 501 N -2.14 0.72 -0.18 0.00 0.04 -1.26 -3.54 135.00 128.64 1jyn s PRO 501 Ca 0.40 0.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 1jyn s PRO 501 Cb 0.24 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 33.03 1jyn s PRO 501 CO -0.09 -2.59 -0.14 0.00 0.04 0.00 0.00 177.00 174.22 1jyn s MET 502 N -4.89 3.18 -1.47 4.56 0.23 -1.26 -0.84 119.30 118.81 1jyn s MET 502 Ca 0.65 -0.75 0.00 0.00 -1.03 0.00 0.00 55.69 54.56 1jyn s MET 502 Cb -0.19 -2.71 0.00 0.00 -1.53 0.00 0.00 34.83 30.40 1jyn s MET 502 CO 0.58 -0.12 0.00 0.66 -2.03 0.00 0.00 175.02 174.11 1jyn n TYR 503 N 4.45 -0.20 -2.39 3.16 4.01 0.05 -4.98 117.16 121.25 1jyn n TYR 503 Ca -0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.14 1jyn n TYR 503 Cb 0.51 -2.74 -0.04 0.00 -0.31 0.00 0.00 39.34 36.76 1jyn n TYR 503 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jyn s ALA 504 N -2.60 3.43 0.74 -0.72 0.00 -1.26 -4.88 121.76 116.47 1jyn s ALA 504 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 1jyn s ALA 504 Cb 0.00 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.79 1jyn s ALA 504 CO 0.00 -0.32 1.08 1.03 0.00 0.00 0.00 175.76 177.55 1jyn s ARG 505 N -0.71 2.22 -0.07 0.00 0.52 -1.26 -4.78 118.95 114.87 1jyn s ARG 505 Ca 0.50 -0.03 -0.26 0.00 -0.52 0.00 0.00 55.73 55.42 1jyn s ARG 505 Cb -0.33 -2.08 -0.21 0.00 0.52 0.00 0.00 34.95 32.85 1jyn s ARG 505 CO 0.39 -1.32 1.01 0.28 0.02 0.00 0.00 175.30 175.68 1jyn h VAL 506 N -0.75 1.41 0.00 3.52 2.07 -1.94 -1.03 116.25 119.53 1jyn h VAL 506 Ca -0.45 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 1jyn h VAL 506 Cb 1.31 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1jyn h VAL 506 CO 0.63 0.39 -1.34 0.47 0.02 0.00 0.00 177.57 177.73 1jyn n ASP 507 N -4.78 3.36 -4.74 0.57 8.00 -1.26 -3.37 116.55 114.33 1jyn n ASP 507 Ca -0.09 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.05 1jyn n ASP 507 Cb 0.33 1.26 -0.07 0.00 -0.02 0.00 0.00 41.12 42.61 1jyn n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1jyn s GLU 508 N -2.46 4.19 0.31 -1.24 2.12 -1.26 -4.74 118.70 115.61 1jyn s GLU 508 Ca -0.03 -0.00 -0.18 0.00 0.36 0.00 0.00 54.97 55.13 1jyn s GLU 508 Cb 0.04 -3.41 -0.09 0.00 0.26 0.00 0.00 34.13 30.94 1jyn s GLU 508 CO 0.30 0.30 0.77 -0.51 -0.54 0.00 0.00 175.26 175.57 1jyn s ASP 509 N 0.32 6.90 -0.48 -1.70 1.01 -1.26 -3.67 116.67 117.79 1jyn s ASP 509 Ca 0.14 1.40 0.03 0.00 0.71 0.00 0.00 52.55 54.83 1jyn s ASP 509 Cb -0.12 -2.42 0.15 0.00 1.01 0.00 0.00 42.92 41.54 1jyn s ASP 509 CO 0.02 -0.16 0.31 -1.10 0.21 0.00 0.00 175.17 174.46 1jyn s GLN 510 N -2.69 1.43 -0.44 8.23 -0.21 -0.52 -4.91 119.66 120.55 1jyn s GLN 510 Ca 0.52 -2.27 -0.05 0.00 0.02 0.00 0.00 55.36 53.57 1jyn s GLN 510 Cb -0.12 -2.35 -0.13 0.00 1.00 0.00 0.00 33.01 31.40 1jyn s GLN 510 CO 0.18 -1.23 2.49 -0.35 -2.12 0.00 0.00 175.29 174.26 1jyn n PRO 511 N 3.11 1.80 -1.54 2.91 -0.04 -1.26 -0.68 135.00 139.30 1jyn n PRO 511 Ca 0.15 -1.06 -0.36 0.00 -0.04 0.00 0.00 63.50 62.19 1jyn n PRO 511 Cb 0.37 -2.12 0.08 0.00 -0.04 0.00 0.00 33.50 31.79 1jyn n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1jyn n PHE 512 N 3.22 1.42 -2.15 0.54 3.72 -1.26 -4.79 117.46 118.15 1jyn n PHE 512 Ca 0.39 0.41 -0.39 0.00 -0.05 0.00 0.00 57.45 57.81 1jyn n PHE 512 Cb 0.43 -2.19 -0.01 0.00 -0.94 0.00 0.00 39.48 36.77 1jyn n PHE 512 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1jyn s PRO 513 N -3.40 4.06 0.00 -1.08 0.02 -1.26 -2.23 135.00 131.11 1jyn s PRO 513 Ca 0.79 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1jyn s PRO 513 Cb -0.36 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1jyn s PRO 513 CO 0.45 -0.38 0.00 0.00 -0.33 0.00 0.00 177.00 176.73 1jyn n ALA 514 N 0.22 0.00 -2.95 -1.55 0.00 -1.26 -4.48 120.51 110.49 1jyn n ALA 514 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1jyn n ALA 514 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 1jyn n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jyn n VAL 515 N 0.00 1.10 -1.41 0.00 0.24 -1.23 -4.82 118.33 112.22 1jyn n VAL 515 Ca 0.00 -4.54 -0.35 0.00 -2.04 0.00 0.00 64.34 57.41 1jyn n VAL 515 Cb 0.00 -0.44 0.09 0.00 -1.47 0.00 0.00 33.84 32.02 1jyn n VAL 515 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1jyn n PRO 516 N 0.00 0.62 -3.57 7.34 -0.04 -0.95 -4.60 135.00 133.80 1jyn n PRO 516 Ca 0.25 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.57 1jyn n PRO 516 Cb 0.63 -2.39 -0.07 0.00 -0.04 0.00 0.00 33.50 31.63 1jyn n PRO 516 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jyn s LYS 517 N -3.56 2.89 0.71 0.54 1.02 0.14 -4.86 119.74 116.62 1jyn s LYS 517 Ca 0.77 -2.42 -0.12 0.00 0.02 0.00 0.00 55.97 54.22 1jyn s LYS 517 Cb -0.34 -3.98 0.02 0.00 -0.52 0.00 0.00 37.83 33.01 1jyn s LYS 517 CO 0.47 -1.21 1.08 -1.58 -0.92 0.00 0.00 175.35 173.19 1jyn s TRP 518 N 0.17 2.80 0.32 3.18 0.52 -1.26 -1.43 118.94 123.24 1jyn s TRP 518 Ca 0.16 1.51 -0.27 0.00 0.02 0.00 0.00 56.10 57.51 1jyn s TRP 518 Cb -0.18 -3.00 -0.13 0.00 -1.15 0.00 0.00 33.47 29.01 1jyn s TRP 518 CO -0.05 -1.52 1.06 0.45 0.02 0.00 0.00 176.95 176.91 1jyn n SER 519 N -3.09 1.55 -0.00 2.95 2.88 -1.24 -4.39 113.62 112.28 1jyn n SER 519 Ca 0.09 1.16 -0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1jyn n SER 519 Cb 0.53 -1.33 0.29 0.00 -0.75 0.00 0.00 64.21 62.95 1jyn n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1jyn h ILE 520 N 2.03 1.20 -0.56 2.46 3.07 -1.19 0.11 117.51 124.62 1jyn h ILE 520 Ca -0.41 -0.80 -0.04 0.00 1.55 0.00 0.00 64.86 65.16 1jyn h ILE 520 Cb 1.33 0.95 -0.02 0.00 -0.27 0.00 0.00 36.82 38.81 1jyn h ILE 520 CO 0.60 0.27 0.19 0.11 -1.05 0.00 0.00 178.15 178.27 1jyn h LYS 521 N 0.51 0.87 -0.11 0.16 1.57 -1.83 -2.95 116.57 114.77 1jyn h LYS 521 Ca 0.11 -0.18 -0.21 0.00 -1.87 0.00 0.00 60.65 58.50 1jyn h LYS 521 Cb 0.34 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1jyn h LYS 521 CO 0.01 0.78 -0.76 -0.22 -0.57 0.00 0.00 179.45 178.69 1jyn h LYS 522 N 0.78 0.61 -0.73 3.15 3.64 -1.73 -3.30 116.57 119.00 1jyn h LYS 522 Ca 0.18 -0.50 0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1jyn h LYS 522 Cb 0.27 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 1jyn h LYS 522 CO -0.01 1.12 0.39 2.35 -2.27 0.00 0.00 179.45 181.04 1jyn h TRP 523 N 0.41 0.71 -0.78 1.91 2.91 -0.63 -2.20 115.95 118.28 1jyn h TRP 523 Ca -0.04 0.03 0.18 0.00 1.13 0.00 0.00 58.89 60.18 1jyn h TRP 523 Cb 1.37 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 29.76 1jyn h TRP 523 CO 0.07 0.29 0.53 -0.07 -1.03 0.00 0.00 178.44 178.22 1jyn h LEU 524 N 0.68 0.28 -3.11 0.65 3.38 -1.60 -2.04 115.31 113.54 1jyn h LEU 524 Ca 0.35 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1jyn h LEU 524 Cb 0.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jyn h LEU 524 CO -0.24 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 176.88 1jyn n SER 525 N -4.44 4.07 -4.67 -0.43 3.41 -0.84 -4.61 113.62 106.11 1jyn n SER 525 Ca 0.15 -2.49 -0.35 0.00 -0.26 0.00 0.00 58.87 55.92 1jyn n SER 525 Cb 0.65 -0.48 0.10 0.00 -0.26 0.00 0.00 64.21 64.22 1jyn n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jyn n LEU 526 N 0.52 4.45 -4.63 1.04 4.77 -0.77 -4.75 117.00 117.63 1jyn n LEU 526 Ca 0.21 0.67 -0.54 0.00 -0.03 0.00 0.00 56.01 56.32 1jyn n LEU 526 Cb 0.77 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.32 1jyn n LEU 526 CO 0.18 -1.66 1.02 -2.65 -1.33 0.00 0.00 177.39 172.95 1jyn n PRO 527 N -2.41 1.09 -0.23 3.23 -0.02 -1.26 -0.69 135.00 134.71 1jyn n PRO 527 Ca 0.14 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1jyn n PRO 527 Cb 0.49 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1jyn n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jyn n GLY 528 N 3.02 2.24 3.74 -1.23 0.00 -1.26 -5.02 105.19 106.68 1jyn n GLY 528 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1jyn n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jyn s GLU 529 N -0.03 4.71 0.00 1.61 2.56 0.13 -4.94 118.70 122.74 1jyn s GLU 529 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 54.97 56.56 1jyn s GLU 529 Cb 0.00 -3.29 0.00 0.00 2.00 0.00 0.00 34.13 32.84 1jyn s GLU 529 CO 0.00 0.26 0.09 0.25 -0.56 0.00 0.00 175.26 175.31 1jyn n THR 530 N 2.07 0.00 -1.98 -1.70 -2.24 -1.26 -4.78 114.28 104.39 1jyn n THR 530 Ca 0.01 -0.10 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 1jyn n THR 530 Cb 0.47 1.74 0.05 0.00 -2.10 0.00 0.00 70.33 70.49 1jyn n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jyn s ARG 531 N -0.01 2.74 0.58 -0.78 0.52 -1.26 -4.14 118.95 116.59 1jyn s ARG 531 Ca 0.00 0.32 -0.16 0.00 -0.52 0.00 0.00 55.73 55.37 1jyn s ARG 531 Cb 0.00 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 1jyn s ARG 531 CO 0.00 -1.05 1.04 -1.25 0.02 0.00 0.00 175.30 174.06 1jyn s PRO 532 N -5.32 3.45 -0.13 3.54 0.04 -0.98 -4.82 135.00 130.78 1jyn s PRO 532 Ca 0.58 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.79 1jyn s PRO 532 Cb -0.11 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1jyn s PRO 532 CO 0.50 -0.70 -0.18 -1.17 0.04 0.00 0.00 177.00 175.49 1jyn s LEU 533 N -4.41 1.87 -0.10 -3.56 0.20 -0.43 -0.68 118.68 111.56 1jyn s LEU 533 Ca 0.63 -0.50 -0.01 0.00 0.69 0.00 0.00 54.13 54.93 1jyn s LEU 533 Cb -0.15 -1.24 0.03 0.00 -0.43 0.00 0.00 46.19 44.41 1jyn s LEU 533 CO 0.36 0.03 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.81 1jyn s ILE 534 N 0.99 0.55 0.24 6.68 1.01 0.05 -1.81 121.20 128.90 1jyn s ILE 534 Ca -0.05 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 1jyn s ILE 534 Cb -0.15 -0.72 -0.10 0.00 0.01 0.00 0.00 42.46 41.50 1jyn s ILE 534 CO -0.03 0.21 1.50 -0.76 0.00 0.00 0.00 174.94 175.86 1jyn s LEU 535 N 1.90 4.37 0.40 2.97 1.43 -0.58 -4.16 118.68 125.00 1jyn s LEU 535 Ca 0.04 2.71 0.21 0.00 -1.03 0.00 0.00 54.13 56.06 1jyn s LEU 535 Cb -0.13 -3.62 0.29 0.00 0.03 0.00 0.00 46.19 42.76 1jyn s LEU 535 CO -0.06 -0.77 1.57 0.00 0.23 0.00 0.00 176.35 177.32 1jyn s GLN 537 N -3.16 0.42 0.11 0.00 -0.21 -1.23 -4.28 119.66 111.32 1jyn s GLN 537 Ca 0.06 0.83 -0.18 0.00 0.02 0.00 0.00 55.36 56.08 1jyn s GLN 537 Cb 0.06 -0.01 0.04 0.00 1.00 0.00 0.00 33.01 34.10 1jyn s GLN 537 CO 0.69 -0.16 0.45 1.52 -2.12 0.00 0.00 175.29 175.67 1jyn s TYR 538 N 1.41 -0.30 0.29 0.91 1.13 -0.71 -0.77 117.35 119.31 1jyn s TYR 538 Ca -0.09 0.08 0.00 0.00 -1.41 0.00 0.00 57.07 55.65 1jyn s TYR 538 Cb -0.08 0.31 0.00 0.00 -1.10 0.00 0.00 41.96 41.09 1jyn s TYR 538 CO -0.13 -0.70 0.00 0.00 -2.51 0.00 0.00 175.55 172.21 1jyn n ALA 539 N -0.07 -1.84 -3.30 9.51 0.00 -1.26 -0.17 120.51 123.38 1jyn n ALA 539 Ca -0.17 0.44 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1jyn n ALA 539 Cb 0.63 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 1jyn n ALA 539 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jyn s HIS 540 N -3.43 -1.00 -0.48 0.00 2.46 -0.69 -3.83 115.29 108.32 1jyn s HIS 540 Ca 0.00 0.22 -0.06 0.00 0.47 0.00 0.00 55.06 55.69 1jyn s HIS 540 Cb 0.00 -0.15 -0.13 0.00 -0.13 0.00 0.00 32.58 32.18 1jyn s HIS 540 CO 0.00 -1.00 3.21 0.00 -2.47 0.00 0.00 174.74 174.48 1jyn n ALA 541 N 5.20 6.63 -2.60 1.58 0.00 0.59 -4.40 120.51 127.51 1jyn n ALA 541 Ca 0.02 -2.59 -0.41 0.00 0.00 0.00 0.00 53.44 50.46 1jyn n ALA 541 Cb 0.49 -2.48 -0.07 0.00 0.00 0.00 0.00 19.45 17.40 1jyn n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1jyn s MET 542 N 0.32 3.87 3.95 0.00 1.75 -1.26 -3.36 119.30 124.57 1jyn s MET 542 Ca 0.64 0.26 0.00 0.00 -1.25 0.00 0.00 55.69 55.35 1jyn s MET 542 Cb 0.30 -3.74 0.00 0.00 2.84 0.00 0.00 34.83 34.24 1jyn s MET 542 CO -0.07 -0.59 0.00 0.41 -0.65 0.00 0.00 175.02 174.12 1jyn n GLY 543 N 4.46 0.73 3.51 2.11 0.00 -1.26 -4.18 105.19 110.57 1jyn n GLY 543 Ca -0.01 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1jyn n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jyn s ASN 544 N -4.00 6.25 0.00 1.61 3.84 -1.26 -4.89 114.94 116.49 1jyn s ASN 544 Ca 0.00 -0.90 0.00 0.00 0.21 0.00 0.00 52.86 52.17 1jyn s ASN 544 Cb 0.00 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1jyn s ASN 544 CO 0.00 -1.60 0.00 -0.24 -2.79 0.00 0.00 177.10 172.47 1jyn n SER 545 N 8.54 0.01 0.00 -4.21 2.88 -1.26 -4.73 113.62 114.84 1jyn n SER 545 Ca 0.07 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1jyn n SER 545 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1jyn n SER 545 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jyn n LEU 546 N 0.00 0.00 -4.71 2.46 4.32 -1.23 -4.78 117.00 113.06 1jyn n LEU 546 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 1jyn n LEU 546 Cb 0.00 -0.46 -0.03 0.00 -1.62 0.00 0.00 43.42 41.31 1jyn n LEU 546 CO 0.00 0.00 1.24 -0.83 -1.22 0.00 0.00 177.39 176.58 1jyn s GLY 547 N -2.10 1.59 0.00 -0.72 0.00 -0.16 -2.13 107.32 103.80 1jyn s GLY 547 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.03 1jyn s GLY 547 CO 0.00 2.68 0.00 0.61 0.00 0.00 0.00 173.10 176.39 1jyn n GLY 548 N 3.80 0.68 0.28 0.20 0.00 0.23 -3.98 105.19 106.40 1jyn n GLY 548 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1jyn n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jyn h PHE 549 N 0.00 0.49 0.00 1.61 3.57 -1.61 -1.04 116.94 119.96 1jyn h PHE 549 Ca 0.00 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1jyn h PHE 549 Cb 0.00 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 1jyn h PHE 549 CO 0.00 0.44 -0.16 0.00 -2.23 0.00 0.00 178.31 176.36 1jyn h ALA 550 N 1.61 1.12 -0.46 2.41 0.00 -1.85 -2.44 119.26 119.63 1jyn h ALA 550 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1jyn h ALA 550 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jyn h ALA 550 CO -0.00 0.20 0.01 -0.22 0.00 0.00 0.00 179.25 179.25 1jyn h LYS 551 N 0.00 0.75 -0.30 0.00 3.64 -1.58 -0.58 116.57 118.50 1jyn h LYS 551 Ca -0.00 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1jyn h LYS 551 Cb 0.55 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1jyn h LYS 551 CO 0.02 0.75 0.13 1.88 -2.27 0.00 0.00 179.45 179.96 1jyn h TYR 552 N 0.71 0.45 -0.63 1.91 0.05 -1.48 -2.75 116.97 115.23 1jyn h TYR 552 Ca 0.14 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.84 1jyn h TYR 552 Cb 0.41 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 1jyn h TYR 552 CO 0.02 0.42 0.18 -1.49 -1.05 0.00 0.00 178.16 176.24 1jyn h TRP 553 N 0.34 1.00 -0.21 4.88 4.06 -1.48 0.19 115.95 124.73 1jyn h TRP 553 Ca 0.10 -0.09 -0.09 0.00 2.06 0.00 0.00 58.89 60.87 1jyn h TRP 553 Cb 0.16 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.01 1jyn h TRP 553 CO -0.01 0.81 -0.24 0.37 -3.56 0.00 0.00 178.44 175.81 1jyn h GLN 554 N 0.93 0.39 -0.03 0.49 -0.00 -1.06 -1.74 115.11 114.10 1jyn h GLN 554 Ca 0.21 -0.14 -0.23 0.00 -0.00 0.00 0.00 58.65 58.49 1jyn h GLN 554 Cb 0.29 -0.03 0.02 0.00 0.00 0.00 0.00 27.48 27.76 1jyn h GLN 554 CO -0.01 0.61 -0.87 0.00 0.00 0.00 0.00 178.83 178.57 1jyn h ALA 555 N 1.40 0.14 -0.79 3.38 0.00 -1.00 -2.04 119.26 120.35 1jyn h ALA 555 Ca 0.06 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.34 1jyn h ALA 555 Cb 0.61 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1jyn h ALA 555 CO 0.04 0.58 0.52 0.74 0.00 0.00 0.00 179.25 181.14 1jyn h PHE 556 N 0.28 0.97 -0.11 0.00 0.04 -0.53 -0.94 116.94 116.65 1jyn h PHE 556 Ca -0.10 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.51 1jyn h PHE 556 Cb 1.53 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 1jyn h PHE 556 CO 0.11 0.59 -0.70 0.00 -0.60 0.00 0.00 178.31 177.72 1jyn h ARG 557 N 1.03 0.50 -0.08 1.51 3.08 -1.24 -3.29 114.38 115.90 1jyn h ARG 557 Ca 0.30 -0.39 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 1jyn h ARG 557 Cb -0.05 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1jyn h ARG 557 CO -0.08 1.02 -0.63 0.37 -1.07 0.00 0.00 179.97 179.58 1jyn h GLN 558 N 0.35 0.30 -4.83 0.04 4.15 -0.81 -3.43 115.11 110.87 1jyn h GLN 558 Ca -0.03 -0.21 -0.67 0.00 0.77 0.00 0.00 58.65 58.51 1jyn h GLN 558 Cb 1.28 0.04 -0.26 0.00 0.21 0.00 0.00 27.48 28.74 1jyn h GLN 558 CO 0.13 0.83 -0.63 0.71 -1.93 0.00 0.00 178.83 177.94 1jyn s TYR 559 N -3.73 3.13 0.22 3.99 1.51 -0.41 -4.99 117.35 117.06 1jyn s TYR 559 Ca -0.05 -0.91 -0.09 0.00 -1.01 0.00 0.00 57.07 55.02 1jyn s TYR 559 Cb 0.12 -2.24 0.32 0.00 -0.11 0.00 0.00 41.96 40.05 1jyn s TYR 559 CO 0.81 -0.55 1.72 -1.35 -1.11 0.00 0.00 175.55 175.07 1jyn h PRO 560 N 8.23 0.33 0.00 -1.71 0.11 -1.85 -0.26 132.00 136.85 1jyn h PRO 560 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1jyn h PRO 560 Cb 1.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1jyn h PRO 560 CO 0.60 0.22 0.00 0.54 -0.21 0.00 0.00 178.00 179.15 1jyn n ARG 561 N -5.07 0.17 -2.85 1.05 1.74 -1.26 -4.32 116.66 106.11 1jyn n ARG 561 Ca 0.10 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.83 1jyn n ARG 561 Cb 0.33 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.23 1jyn n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jyn s LEU 562 N -2.80 4.27 -0.40 0.55 1.43 -0.11 -1.32 118.68 120.30 1jyn s LEU 562 Ca 0.17 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 1jyn s LEU 562 Cb 0.16 -2.57 0.66 0.00 0.03 0.00 0.00 46.19 44.47 1jyn s LEU 562 CO 0.40 -1.36 1.83 0.00 0.23 0.00 0.00 176.35 177.46 1jyn n GLN 563 N 7.61 2.47 0.00 1.70 6.02 -0.75 -4.66 117.38 129.77 1jyn n GLN 563 Ca -0.02 -3.05 0.00 0.00 -0.01 0.00 0.00 57.00 53.92 1jyn n GLN 563 Cb 0.46 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.59 1jyn n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jyn n GLY 564 N -0.96 0.18 0.00 1.08 0.00 -1.26 -0.73 105.19 103.50 1jyn n GLY 564 Ca 0.52 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1jyn n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 565 N 0.00 -0.29 3.28 -0.02 0.00 -0.96 -1.53 105.19 105.66 1jyn n GLY 565 Ca 0.00 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 1jyn n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jyn s PHE 566 N -2.00 3.19 0.56 1.61 0.40 -0.38 -0.93 117.98 120.43 1jyn s PHE 566 Ca 0.00 -1.33 -0.21 0.00 -0.60 0.00 0.00 56.93 54.79 1jyn s PHE 566 Cb 0.00 -2.22 -0.05 0.00 0.51 0.00 0.00 43.02 41.26 1jyn s PHE 566 CO 0.00 -0.68 1.27 0.28 0.70 0.00 0.00 175.22 176.78 1jyn n VAL 567 N 4.79 3.82 -3.69 -0.44 0.31 -0.36 -1.74 118.33 121.03 1jyn n VAL 567 Ca -0.14 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.31 1jyn n VAL 567 Cb 0.46 -1.53 -0.11 0.00 -0.91 0.00 0.00 33.84 31.75 1jyn n VAL 567 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1jyn s TRP 568 N -1.33 3.37 0.01 3.52 -0.11 0.75 -0.55 118.94 124.60 1jyn s TRP 568 Ca 0.73 -1.73 -0.00 0.00 1.22 0.00 0.00 56.10 56.32 1jyn s TRP 568 Cb -0.42 -2.83 0.00 0.00 -1.50 0.00 0.00 33.47 28.71 1jyn s TRP 568 CO 0.49 -0.85 0.01 -0.40 -4.62 0.00 0.00 176.95 171.58 1jyn n ASP 569 N 4.81 -0.04 0.14 5.86 5.75 -0.42 -0.30 116.55 132.36 1jyn n ASP 569 Ca -0.09 -1.05 -0.10 0.00 -0.01 0.00 0.00 54.79 53.54 1jyn n ASP 569 Cb 0.43 0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.53 1jyn n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1jyn h TRP 570 N 1.03 -0.40 -3.82 2.11 -0.00 -1.14 -1.12 115.95 112.61 1jyn h TRP 570 Ca -0.01 -0.01 -0.48 0.00 -0.00 0.00 0.00 58.89 58.40 1jyn h TRP 570 Cb 0.03 0.13 -0.31 0.00 -0.00 0.00 0.00 29.16 29.01 1jyn h TRP 570 CO 0.00 -0.11 -0.80 0.54 -0.00 0.00 0.00 178.44 178.06 1jyn s VAL 571 N -3.53 1.01 0.27 2.65 0.11 -1.26 -0.89 120.40 118.74 1jyn s VAL 571 Ca -0.10 -0.48 -0.31 0.00 -2.93 0.00 0.00 61.98 58.16 1jyn s VAL 571 Cb 0.01 -0.89 -0.13 0.00 -1.53 0.00 0.00 36.38 33.84 1jyn s VAL 571 CO 0.36 0.31 1.46 0.47 -3.33 0.00 0.00 175.10 174.36 1jyn n ASP 572 N 3.28 3.11 -3.66 3.54 8.00 -0.43 -4.34 116.55 126.06 1jyn n ASP 572 Ca -0.19 1.15 -0.41 0.00 0.71 0.00 0.00 54.79 56.05 1jyn n ASP 572 Cb 0.54 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1jyn n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jyn n GLN 573 N 1.93 4.57 -3.67 -1.24 6.02 0.06 -4.05 117.38 121.01 1jyn n GLN 573 Ca 0.10 -3.88 -0.27 0.00 -0.01 0.00 0.00 57.00 52.94 1jyn n GLN 573 Cb 0.34 -2.64 -0.03 0.00 1.02 0.00 0.00 30.24 28.92 1jyn n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jyn s SER 574 N -0.18 6.39 0.09 1.08 1.04 -1.26 -4.69 113.70 116.16 1jyn s SER 574 Ca 0.45 0.42 0.09 0.00 0.48 0.00 0.00 55.95 57.39 1jyn s SER 574 Cb 0.15 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 1jyn s SER 574 CO -0.06 -0.06 -0.22 -0.76 0.98 0.00 0.00 173.24 173.13 1jyn s LEU 575 N -3.35 2.49 0.05 2.42 1.43 -0.73 -4.34 118.68 116.65 1jyn s LEU 575 Ca 0.39 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 1jyn s LEU 575 Cb -0.11 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1jyn s LEU 575 CO 0.29 0.21 0.87 -0.63 0.23 0.00 0.00 176.35 177.33 1jyn s ILE 576 N -1.01 4.71 0.27 -0.59 -1.09 -0.54 -0.32 121.20 122.63 1jyn s ILE 576 Ca 0.15 1.86 0.09 0.00 -2.23 0.00 0.00 60.65 60.53 1jyn s ILE 576 Cb -0.10 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.50 1jyn s ILE 576 CO 0.06 0.29 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.39 1jyn s LYS 577 N 0.27 1.59 -0.05 2.79 1.02 0.37 -4.93 119.74 120.80 1jyn s LYS 577 Ca 0.44 -1.76 0.05 0.00 0.02 0.00 0.00 55.97 54.72 1jyn s LYS 577 Cb -0.21 -1.47 -0.00 0.00 -0.52 0.00 0.00 37.83 35.62 1jyn s LYS 577 CO 0.26 0.20 -0.19 0.71 -0.92 0.00 0.00 175.35 175.41 1jyn s TYR 578 N -2.75 1.92 0.48 3.18 2.02 -1.26 0.39 117.35 121.34 1jyn s TYR 578 Ca 0.28 -0.58 -0.07 0.00 -0.37 0.00 0.00 57.07 56.33 1jyn s TYR 578 Cb -0.01 -1.29 0.11 0.00 -0.40 0.00 0.00 41.96 40.38 1jyn s TYR 578 CO 0.13 -0.20 0.66 -0.40 -1.57 0.00 0.00 175.55 174.17 1jyn n ASP 579 N 3.14 0.13 -0.31 2.29 5.68 0.70 -4.84 116.55 123.34 1jyn n ASP 579 Ca -0.18 -1.29 0.10 0.00 -0.50 0.00 0.00 54.79 52.92 1jyn n ASP 579 Cb 0.53 -0.50 0.26 0.00 -1.14 0.00 0.00 41.12 40.27 1jyn n ASP 579 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1jyn h GLU 580 N 0.00 0.56 0.00 0.11 4.11 -2.01 0.16 114.58 117.51 1jyn h GLU 580 Ca -0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1jyn h GLU 580 Cb 0.61 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1jyn h GLU 580 CO 0.16 0.37 0.00 0.09 0.07 0.00 0.00 179.01 179.70 1jyn n ASN 581 N -4.91 0.00 0.00 3.06 3.02 -1.26 -4.87 115.26 110.31 1jyn n ASN 581 Ca 0.20 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1jyn n ASN 581 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1jyn n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jyn n GLY 582 N 0.67 0.60 3.81 7.41 0.00 0.55 -5.01 105.19 113.22 1jyn n GLY 582 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1jyn n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jyn s ASN 583 N -2.25 7.14 0.35 1.61 0.01 -1.26 -4.71 114.94 115.83 1jyn s ASN 583 Ca 0.00 1.47 -0.18 0.00 -0.71 0.00 0.00 52.86 53.44 1jyn s ASN 583 Cb 0.00 -2.44 -0.10 0.00 0.41 0.00 0.00 41.25 39.13 1jyn s ASN 583 CO 0.00 0.09 0.81 -2.16 -1.51 0.00 0.00 177.10 174.33 1jyn s PRO 584 N -1.72 4.11 0.04 -0.60 0.04 -1.26 -0.22 135.00 135.40 1jyn s PRO 584 Ca 0.40 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.16 1jyn s PRO 584 Cb -0.18 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 31.97 1jyn s PRO 584 CO 0.22 0.13 0.29 1.67 0.04 0.00 0.00 177.00 179.34 1jyn s TRP 585 N -1.99 -0.08 -0.17 0.56 1.48 0.16 -4.91 118.94 113.98 1jyn s TRP 585 Ca 0.55 -0.06 -0.23 0.00 -1.06 0.00 0.00 56.10 55.30 1jyn s TRP 585 Cb -0.11 0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.26 1jyn s TRP 585 CO 0.17 -0.49 0.72 -1.12 -4.06 0.00 0.00 176.95 172.17 1jyn s SER 586 N -2.05 6.82 0.18 -2.66 0.01 -1.26 -0.48 113.70 114.26 1jyn s SER 586 Ca -0.05 1.01 0.08 0.00 1.31 0.00 0.00 55.95 58.29 1jyn s SER 586 Cb -0.01 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1jyn s SER 586 CO -0.03 -0.31 -0.02 0.00 0.41 0.00 0.00 173.24 173.29 1jyn s ALA 587 N 1.91 3.16 0.00 1.44 0.00 0.56 -4.91 121.76 123.92 1jyn s ALA 587 Ca 0.33 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1jyn s ALA 587 Cb -0.16 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1jyn s ALA 587 CO 0.12 0.47 0.00 2.48 0.00 0.00 0.00 175.76 178.83 1jyn n TYR 588 N -0.13 0.00 -1.64 0.00 0.18 -1.26 -1.77 117.16 112.53 1jyn n TYR 588 Ca -0.10 0.00 -0.47 0.00 1.88 0.00 0.00 57.90 59.21 1jyn n TYR 588 Cb 0.55 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.47 1jyn n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1jyn n GLY 589 N 1.55 0.77 1.44 -7.48 0.00 -0.51 -1.60 105.19 99.36 1jyn n GLY 589 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1jyn n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 590 N 2.73 2.50 0.00 -0.02 0.00 -1.26 -4.00 105.19 105.14 1jyn n GLY 590 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1jyn n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyn n ASP 591 N 0.00 0.00 -0.41 1.61 8.00 -0.63 -1.72 116.55 123.41 1jyn n ASP 591 Ca 0.00 -0.33 0.08 0.00 0.71 0.00 0.00 54.79 55.25 1jyn n ASP 591 Cb 0.00 -0.12 0.17 0.00 -0.02 0.00 0.00 41.12 41.15 1jyn n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1jyn n PHE 592 N -1.12 0.38 -0.82 1.24 3.01 -1.26 -4.93 117.46 113.96 1jyn n PHE 592 Ca 0.12 -0.88 0.00 0.00 1.01 0.00 0.00 57.45 57.69 1jyn n PHE 592 Cb 0.10 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 1jyn n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jyn n GLY 593 N -0.90 1.04 3.68 1.37 0.00 -0.70 -4.87 105.19 104.81 1jyn n GLY 593 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1jyn n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jyn s ASP 594 N -3.05 6.76 -0.17 1.61 -4.77 -1.26 -5.00 116.67 110.80 1jyn s ASP 594 Ca 0.00 2.20 -0.16 0.00 -3.30 0.00 0.00 52.55 51.29 1jyn s ASP 594 Cb 0.00 -2.55 0.05 0.00 -1.09 0.00 0.00 42.92 39.32 1jyn s ASP 594 CO 0.00 -0.80 0.47 0.28 0.70 0.00 0.00 175.17 175.82 1jyn s THR 595 N 2.82 0.00 0.86 2.11 -1.32 -1.26 -4.09 115.64 114.76 1jyn s THR 595 Ca 0.67 -0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 61.03 1jyn s THR 595 Cb -0.33 -0.66 0.11 0.00 -1.51 0.00 0.00 72.50 70.10 1jyn s THR 595 CO 0.28 -0.01 1.09 -2.16 -2.21 0.00 0.00 174.62 171.61 1jyn s PRO 596 N 0.20 1.58 0.23 7.08 0.04 -1.26 -5.16 135.00 137.71 1jyn s PRO 596 Ca -0.00 0.86 -0.09 0.00 0.04 0.00 0.00 61.00 61.81 1jyn s PRO 596 Cb -0.03 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1jyn s PRO 596 CO 0.01 -2.03 0.35 0.54 0.04 0.00 0.00 177.00 175.91 1jyn s ASN 597 N -3.49 -0.00 -0.34 6.66 2.20 -1.26 -4.75 114.94 113.96 1jyn s ASN 597 Ca 0.63 -1.08 0.07 0.00 -0.94 0.00 0.00 52.86 51.53 1jyn s ASN 597 Cb -0.17 0.51 0.47 0.00 -2.00 0.00 0.00 41.25 40.05 1jyn s ASN 597 CO 0.56 -1.03 1.40 0.47 -2.94 0.00 0.00 177.10 175.57 1jyn n ASP 598 N -0.34 4.16 0.00 3.54 8.00 -0.16 -4.95 116.55 126.80 1jyn n ASP 598 Ca -0.01 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.70 1jyn n ASP 598 Cb 0.63 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1jyn n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1jyn n ARG 599 N -0.92 0.00 0.00 -1.24 1.85 -1.26 -1.23 116.66 113.87 1jyn n ARG 599 Ca 0.40 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 57.31 1jyn n ARG 599 Cb 0.91 0.00 0.33 0.00 -1.05 0.00 0.00 32.46 32.65 1jyn n ARG 599 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jyn n GLN 600 N 13.33 0.87 0.00 2.89 0.00 -1.26 -1.43 117.38 131.78 1jyn n GLN 600 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.00 57.07 1jyn n GLN 600 Cb 0.00 -1.20 0.39 0.00 0.00 0.00 0.00 30.24 29.44 1jyn n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1jyn n PHE 601 N -0.70 0.00 1.33 2.61 3.72 -0.36 -1.53 117.46 122.53 1jyn n PHE 601 Ca 0.08 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.62 1jyn n PHE 601 Cb 0.04 -0.23 0.58 0.00 -0.94 0.00 0.00 39.48 38.93 1jyn n PHE 601 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jyn s MET 603 N -2.58 2.50 -0.07 0.00 -1.94 -0.58 -0.76 119.30 115.87 1jyn s MET 603 Ca 0.26 -2.13 0.11 0.00 -1.71 0.00 0.00 55.69 52.21 1jyn s MET 603 Cb 0.20 -3.82 0.17 0.00 2.01 0.00 0.00 34.83 33.39 1jyn s MET 603 CO 0.50 -1.17 1.09 0.09 -0.01 0.00 0.00 175.02 175.52 1jyn n ASN 604 N 4.21 1.34 -4.91 3.03 5.03 -1.26 -4.22 115.26 118.48 1jyn n ASN 604 Ca 0.01 -2.62 -0.27 0.00 0.87 0.00 0.00 54.58 52.57 1jyn n ASN 604 Cb 0.40 -0.33 -0.01 0.00 -1.02 0.00 0.00 39.78 38.83 1jyn n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1jyn s GLY 605 N -2.08 1.52 0.31 7.41 0.00 -1.21 -1.30 107.32 111.96 1jyn s GLY 605 Ca 0.18 -0.56 0.13 0.00 0.00 0.00 0.00 44.72 44.48 1jyn s GLY 605 CO 0.02 -0.41 1.65 1.41 0.00 0.00 0.00 173.10 175.76 1jyn h LEU 606 N 0.48 0.00 -9.03 0.66 3.38 0.33 -3.44 115.31 107.69 1jyn h LEU 606 Ca -0.47 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.86 1jyn h LEU 606 Cb 1.21 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.77 1jyn h LEU 606 CO 0.62 0.54 -0.81 0.68 0.09 0.00 0.00 178.44 179.55 1jyn s VAL 607 N -3.59 2.31 0.92 1.22 -7.23 -0.39 -0.97 120.40 112.67 1jyn s VAL 607 Ca -0.01 -2.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.00 1jyn s VAL 607 Cb 0.12 -2.11 0.14 0.00 0.56 0.00 0.00 36.38 35.09 1jyn s VAL 607 CO 0.74 -0.16 1.09 -0.36 -0.31 0.00 0.00 175.10 176.10 1jyn s PHE 608 N -1.77 2.22 0.53 2.82 0.08 0.25 -1.31 117.98 120.79 1jyn s PHE 608 Ca 0.21 1.26 0.24 0.00 0.12 0.00 0.00 56.93 58.77 1jyn s PHE 608 Cb -0.07 -3.17 1.37 0.00 -0.57 0.00 0.00 43.02 40.58 1jyn s PHE 608 CO 0.10 -2.52 2.00 0.00 -0.10 0.00 0.00 175.22 174.69 1jyn h ALA 609 N -1.64 2.46 -0.20 5.36 0.00 -1.89 0.29 119.26 123.64 1jyn h ALA 609 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1jyn h ALA 609 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jyn h ALA 609 CO 0.54 -0.61 0.00 -0.40 0.00 0.00 0.00 179.25 178.78 1jyn n ASP 610 N -4.39 1.25 0.00 0.00 5.75 -1.26 -4.47 116.55 113.43 1jyn n ASP 610 Ca 0.09 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 1jyn n ASP 610 Cb 0.58 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1jyn n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jyn n ARG 611 N 0.14 0.00 -2.12 0.11 3.00 0.10 -5.03 116.66 112.86 1jyn n ARG 611 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.54 1jyn n ARG 611 Cb 0.22 -1.80 -0.02 0.00 0.00 0.00 0.00 32.46 30.85 1jyn n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1jyn s THR 612 N -3.38 2.74 0.45 0.55 2.01 -1.26 -4.77 115.64 111.98 1jyn s THR 612 Ca 0.00 0.74 -0.20 0.00 0.31 0.00 0.00 61.69 62.55 1jyn s THR 612 Cb 0.00 -3.47 -0.10 0.00 0.01 0.00 0.00 72.50 68.94 1jyn s THR 612 CO 0.00 0.18 0.96 -2.84 -0.69 0.00 0.00 174.62 172.22 1jyn s PRO 613 N -1.73 4.14 0.56 4.92 0.02 -1.26 -0.58 135.00 141.06 1jyn s PRO 613 Ca 0.49 1.06 -0.03 0.00 0.02 0.00 0.00 61.00 62.54 1jyn s PRO 613 Cb -0.40 -2.17 0.01 0.00 0.02 0.00 0.00 34.50 31.97 1jyn s PRO 613 CO 0.52 -0.10 0.83 -1.01 -0.33 0.00 0.00 177.00 176.91 1jyn s HIS 614 N -2.31 3.17 0.48 6.54 3.76 -0.14 -4.79 115.29 122.00 1jyn s HIS 614 Ca 0.61 0.43 0.13 0.00 -0.15 0.00 0.00 55.06 56.08 1jyn s HIS 614 Cb -0.09 -2.66 1.12 0.00 1.11 0.00 0.00 32.58 32.06 1jyn s HIS 614 CO 0.19 -0.75 2.12 -1.35 -0.85 0.00 0.00 174.74 174.09 1jyn h PRO 615 N -0.02 0.20 -0.23 8.40 0.11 -1.93 -2.22 132.00 136.31 1jyn h PRO 615 Ca -0.45 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1jyn h PRO 615 Cb 1.27 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1jyn h PRO 615 CO 0.59 0.13 0.19 0.00 -0.21 0.00 0.00 178.00 178.70 1jyn h ALA 616 N 1.90 2.05 -0.84 -0.75 0.00 -1.86 -2.09 119.26 117.68 1jyn h ALA 616 Ca 0.06 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1jyn h ALA 616 Cb -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1jyn h ALA 616 CO -0.01 -0.30 0.55 1.25 0.00 0.00 0.00 179.25 180.73 1jyn h LEU 617 N 0.00 0.76 -1.10 0.00 5.85 -1.59 0.02 115.31 119.25 1jyn h LEU 617 Ca 0.11 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1jyn h LEU 617 Cb 0.48 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1jyn h LEU 617 CO -0.00 0.46 -0.39 0.00 -0.34 0.00 0.00 178.44 178.17 1jyn h THR 618 N 0.85 1.05 -0.31 1.05 1.03 -1.57 -0.31 112.91 114.70 1jyn h THR 618 Ca 0.38 -1.45 -0.18 0.00 -0.01 0.00 0.00 66.41 65.15 1jyn h THR 618 Cb 0.37 1.84 -0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1jyn h THR 618 CO -0.15 0.38 -0.51 -0.08 -0.01 0.00 0.00 175.52 175.15 1jyn h GLU 619 N 0.00 0.89 -0.20 0.00 4.57 -1.13 -2.05 114.58 116.66 1jyn h GLU 619 Ca -0.00 -0.54 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 1jyn h GLU 619 Cb 0.81 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1jyn h GLU 619 CO 0.05 1.18 0.09 0.00 -1.18 0.00 0.00 179.01 179.15 1jyn h ALA 620 N 0.71 0.26 -0.73 2.92 0.00 -0.65 -1.41 119.26 120.36 1jyn h ALA 620 Ca 0.03 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1jyn h ALA 620 Cb 1.12 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 1jyn h ALA 620 CO 0.12 -0.17 0.27 -0.22 0.00 0.00 0.00 179.25 179.25 1jyn h LYS 621 N 0.19 0.40 -0.22 0.00 3.64 -0.90 -0.07 116.57 119.60 1jyn h LYS 621 Ca 0.07 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 1jyn h LYS 621 Cb 0.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1jyn h LYS 621 CO -0.01 0.27 -0.44 1.25 -2.27 0.00 0.00 179.45 178.24 1jyn h HIS 622 N 0.41 0.87 0.00 1.91 2.76 -1.24 -2.86 115.15 117.00 1jyn h HIS 622 Ca 0.40 -0.32 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 1jyn h HIS 622 Cb 0.60 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1jyn h HIS 622 CO -0.18 1.09 -0.23 1.96 -1.30 0.00 0.00 177.93 179.27 1jyn h GLN 623 N 0.39 0.00 -0.67 5.26 1.08 -0.82 -2.86 115.11 117.49 1jyn h GLN 623 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1jyn h GLN 623 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1jyn h GLN 623 CO 0.10 0.23 0.00 1.04 -0.95 0.00 0.00 178.83 179.25 1jyn n GLN 624 N -3.37 3.62 -1.21 1.46 6.02 -0.08 -4.97 117.38 118.84 1jyn n GLN 624 Ca 0.00 -2.24 -0.34 0.00 -0.01 0.00 0.00 57.00 54.41 1jyn n GLN 624 Cb 0.45 -1.97 0.12 0.00 1.02 0.00 0.00 30.24 29.85 1jyn n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1jyn n GLN 625 N 0.55 0.33 0.00 -1.09 6.02 -1.08 -4.86 117.38 117.25 1jyn n GLN 625 Ca 0.20 0.18 0.12 0.00 -0.01 0.00 0.00 57.00 57.50 1jyn n GLN 625 Cb 0.87 -2.41 0.18 0.00 1.02 0.00 0.00 30.24 29.90 1jyn n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1jyn n PHE 626 N -3.04 0.00 -4.88 1.08 3.01 -1.26 -4.89 117.46 107.49 1jyn n PHE 626 Ca 0.14 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.33 1jyn n PHE 626 Cb 0.50 -0.01 -0.16 0.00 -0.01 0.00 0.00 39.48 39.80 1jyn n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1jyn s PHE 627 N -2.15 1.79 0.06 1.38 0.08 -1.26 0.15 117.98 118.03 1jyn s PHE 627 Ca 0.27 -0.52 0.05 0.00 0.12 0.00 0.00 56.93 56.85 1jyn s PHE 627 Cb 0.20 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 1jyn s PHE 627 CO 0.39 -0.17 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.63 1jyn s GLN 628 N 0.03 2.45 0.10 0.44 -1.52 -0.64 -4.95 119.66 115.57 1jyn s GLN 628 Ca -0.04 -0.84 0.03 0.00 -1.95 0.00 0.00 55.36 52.56 1jyn s GLN 628 Cb -0.12 -2.47 -0.04 0.00 -0.22 0.00 0.00 33.01 30.16 1jyn s GLN 628 CO 0.02 0.56 -0.09 -0.06 -0.25 0.00 0.00 175.29 175.47 1jyn s PHE 629 N -1.17 1.00 0.03 0.91 0.08 -1.26 -1.29 117.98 116.29 1jyn s PHE 629 Ca 0.21 -0.75 -0.04 0.00 0.12 0.00 0.00 56.93 56.47 1jyn s PHE 629 Cb -0.11 -0.55 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 1jyn s PHE 629 CO 0.13 -0.05 0.06 1.03 -0.10 0.00 0.00 175.22 176.30 1jyn s ARG 630 N -3.24 0.51 -0.02 0.44 0.52 -0.20 -4.97 118.95 112.00 1jyn s ARG 630 Ca 0.08 -0.70 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1jyn s ARG 630 Cb 0.00 0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.66 1jyn s ARG 630 CO -0.02 -0.12 -0.20 -1.17 0.02 0.00 0.00 175.30 173.82 1jyn s LEU 631 N -1.91 2.02 -0.18 2.53 2.96 -1.26 -1.00 118.68 121.85 1jyn s LEU 631 Ca -0.08 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1jyn s LEU 631 Cb -0.04 -1.03 0.08 0.00 0.50 0.00 0.00 46.19 45.71 1jyn s LEU 631 CO -0.03 0.23 0.23 -0.55 -1.32 0.00 0.00 176.35 174.91 1jyn s SER 632 N -0.38 1.07 1.67 3.68 0.15 0.40 -4.98 113.70 115.32 1jyn s SER 632 Ca 0.05 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1jyn s SER 632 Cb -0.08 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1jyn s SER 632 CO -0.00 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1jyn n GLY 633 N 5.33 3.65 0.98 9.45 0.00 -1.26 0.20 105.19 123.54 1jyn n GLY 633 Ca -0.05 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1jyn n GLY 633 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jyn n GLN 634 N 13.35 2.35 -3.57 1.61 -0.06 -1.26 -4.92 117.38 124.87 1jyn n GLN 634 Ca 0.00 -1.97 -0.37 0.00 -2.00 0.00 0.00 57.00 52.67 1jyn n GLN 634 Cb 0.00 -1.47 -0.09 0.00 -4.06 0.00 0.00 30.24 24.63 1jyn n GLN 634 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1jyn s THR 635 N -1.95 5.31 -0.22 1.69 2.01 0.54 0.58 115.64 123.60 1jyn s THR 635 Ca 0.29 0.36 -0.08 0.00 0.31 0.00 0.00 61.69 62.57 1jyn s THR 635 Cb 0.20 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1jyn s THR 635 CO 0.30 0.33 0.09 -0.63 -0.69 0.00 0.00 174.62 174.02 1jyn s ILE 636 N 1.05 4.77 -0.22 1.82 1.01 -0.10 0.15 121.20 129.67 1jyn s ILE 636 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 1jyn s ILE 636 Cb -0.14 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 1jyn s ILE 636 CO 0.05 0.38 -0.02 -0.70 0.00 0.00 0.00 174.94 174.66 1jyn s GLU 637 N 1.01 3.45 -0.19 2.79 2.12 -0.17 -1.06 118.70 126.66 1jyn s GLU 637 Ca 0.05 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.72 1jyn s GLU 637 Cb -0.14 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1jyn s GLU 637 CO 0.03 -0.17 0.06 0.08 -0.54 0.00 0.00 175.26 174.72 1jyn s VAL 638 N 1.45 4.76 -0.06 3.70 1.01 -0.47 -1.03 120.40 129.76 1jyn s VAL 638 Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1jyn s VAL 638 Cb -0.14 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1jyn s VAL 638 CO -0.01 0.45 -0.22 -0.89 0.00 0.00 0.00 175.10 174.43 1jyn s THR 639 N 0.44 2.34 -0.10 3.92 2.01 -0.41 -0.87 115.64 122.97 1jyn s THR 639 Ca 0.03 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 60.92 1jyn s THR 639 Cb -0.13 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1jyn s THR 639 CO 0.01 0.57 0.38 -0.55 -0.69 0.00 0.00 174.62 174.33 1jyn s SER 640 N -0.20 6.62 0.00 3.53 0.15 -0.43 -1.62 113.70 121.74 1jyn s SER 640 Ca -0.02 0.74 0.22 0.00 0.70 0.00 0.00 55.95 57.59 1jyn s SER 640 Cb -0.13 -2.23 0.52 0.00 -1.71 0.00 0.00 66.02 62.47 1jyn s SER 640 CO 0.03 0.15 1.45 -0.62 1.20 0.00 0.00 173.24 175.45 1jyn n GLU 641 N 3.03 2.45 -2.00 5.44 1.02 0.39 -2.17 120.64 128.80 1jyn n GLU 641 Ca -0.11 -2.21 -0.39 0.00 -0.02 0.00 0.00 57.16 54.42 1jyn n GLU 641 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1jyn n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jyn s TYR 642 N -1.37 2.70 -0.13 -0.32 2.02 -1.26 -4.82 117.35 114.18 1jyn s TYR 642 Ca 0.40 1.39 0.19 0.00 -0.37 0.00 0.00 57.07 58.68 1jyn s TYR 642 Cb 0.22 -3.70 -0.22 0.00 -0.40 0.00 0.00 41.96 37.86 1jyn s TYR 642 CO 0.31 -2.28 0.52 1.28 -1.57 0.00 0.00 175.55 173.80 1jyn n LEU 643 N -0.11 0.39 0.00 -1.29 4.77 -1.26 -2.11 117.00 117.39 1jyn n LEU 643 Ca 0.05 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1jyn n LEU 643 Cb 0.44 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1jyn n LEU 643 CO 0.55 0.21 -0.34 0.49 -1.33 0.00 0.00 177.39 176.97 1jyn n PHE 644 N -2.69 0.00 -3.55 -1.77 3.72 -1.26 -4.83 117.46 107.08 1jyn n PHE 644 Ca -0.15 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.95 1jyn n PHE 644 Cb 0.86 0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 39.42 1jyn n PHE 644 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1jyn s ARG 645 N -1.78 3.62 0.55 -1.08 1.70 -1.26 -4.75 118.95 115.95 1jyn s ARG 645 Ca 0.00 -0.08 -0.10 0.00 -0.47 0.00 0.00 55.73 55.08 1jyn s ARG 645 Cb 0.00 -2.76 -0.05 0.00 -0.57 0.00 0.00 34.95 31.57 1jyn s ARG 645 CO 0.00 0.36 0.93 -1.01 -1.08 0.00 0.00 175.30 174.50 1jyn s HIS 646 N -1.85 3.57 -1.32 5.89 3.76 -1.26 -3.59 115.29 120.49 1jyn s HIS 646 Ca 0.42 1.17 -0.14 0.00 -0.15 0.00 0.00 55.06 56.35 1jyn s HIS 646 Cb -0.11 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.96 1jyn s HIS 646 CO 0.27 -0.48 2.29 -1.13 -0.85 0.00 0.00 174.74 174.83 1jyn n SER 647 N -2.32 4.50 -1.08 1.40 3.41 -0.54 -4.64 113.62 114.34 1jyn n SER 647 Ca 0.04 -2.73 0.04 0.00 -0.26 0.00 0.00 58.87 55.96 1jyn n SER 647 Cb 0.54 -1.50 0.19 0.00 -0.26 0.00 0.00 64.21 63.18 1jyn n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jyn n ASP 648 N 5.83 3.05 -2.69 4.04 5.68 -1.26 -3.76 116.55 127.43 1jyn n ASP 648 Ca 0.56 -2.37 -0.07 0.00 -0.50 0.00 0.00 54.79 52.40 1jyn n ASP 648 Cb 0.35 -0.53 0.09 0.00 -1.14 0.00 0.00 41.12 39.89 1jyn n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jyn n ASN 649 N 0.35 -0.69 -3.77 -1.12 5.15 -1.26 -5.05 115.26 108.86 1jyn n ASN 649 Ca 0.13 -2.51 -0.13 0.00 -0.60 0.00 0.00 54.58 51.47 1jyn n ASN 649 Cb 0.64 0.45 -0.10 0.00 -0.53 0.00 0.00 39.78 40.23 1jyn n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1jyn s GLU 650 N -1.01 0.43 0.00 1.20 8.01 -1.25 -4.17 118.70 121.91 1jyn s GLU 650 Ca 0.23 0.30 0.03 0.00 0.01 0.00 0.00 54.97 55.54 1jyn s GLU 650 Cb 0.42 0.20 -0.01 0.00 -4.31 0.00 0.00 34.13 30.43 1jyn s GLU 650 CO -0.05 -0.07 -0.10 -0.48 0.01 0.00 0.00 175.26 174.57 1jyn s LEU 651 N -0.15 2.05 -0.20 1.80 2.34 -0.02 -1.83 118.68 122.67 1jyn s LEU 651 Ca -0.03 -0.23 -0.15 0.00 0.06 0.00 0.00 54.13 53.78 1jyn s LEU 651 Cb -0.03 -0.49 -0.04 0.00 -0.56 0.00 0.00 46.19 45.07 1jyn s LEU 651 CO 0.01 0.09 0.36 -0.22 -1.06 0.00 0.00 176.35 175.53 1jyn s LEU 652 N -0.41 4.16 -0.11 1.48 2.96 0.23 -0.80 118.68 126.19 1jyn s LEU 652 Ca 0.03 0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1jyn s LEU 652 Cb -0.05 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1jyn s LEU 652 CO -0.00 -0.04 -0.03 -2.28 -1.32 0.00 0.00 176.35 172.68 1jyn s HIS 653 N 1.17 3.06 0.10 5.38 5.65 0.24 -0.82 115.29 130.06 1jyn s HIS 653 Ca 0.18 -0.04 0.06 0.00 0.25 0.00 0.00 55.06 55.51 1jyn s HIS 653 Cb -0.14 -1.85 -0.03 0.00 -1.18 0.00 0.00 32.58 29.37 1jyn s HIS 653 CO 0.07 0.23 -0.16 1.67 -0.65 0.00 0.00 174.74 175.90 1jyn s TRP 654 N -0.31 1.41 -0.16 3.88 1.48 0.03 -1.11 118.94 124.16 1jyn s TRP 654 Ca 0.06 -0.48 -0.10 0.00 -1.06 0.00 0.00 56.10 54.52 1jyn s TRP 654 Cb -0.12 -0.77 0.05 0.00 -1.16 0.00 0.00 33.47 31.47 1jyn s TRP 654 CO 0.02 0.12 0.40 1.41 -4.06 0.00 0.00 176.95 174.84 1jyn s MET 655 N -2.07 0.40 -0.13 3.25 1.75 -0.51 -1.14 119.30 120.84 1jyn s MET 655 Ca 0.03 0.73 -0.01 0.00 -1.25 0.00 0.00 55.69 55.20 1jyn s MET 655 Cb -0.08 0.02 -0.02 0.00 2.84 0.00 0.00 34.83 37.58 1jyn s MET 655 CO 0.03 -0.14 -0.11 0.08 -0.65 0.00 0.00 175.02 174.23 1jyn s VAL 656 N 1.17 3.28 0.01 10.11 1.01 0.27 -1.45 120.40 134.80 1jyn s VAL 656 Ca -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1jyn s VAL 656 Cb -0.07 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1jyn s VAL 656 CO -0.10 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.48 1jyn s ALA 657 N 0.20 0.31 -0.35 5.51 0.00 -0.66 -0.57 121.76 126.20 1jyn s ALA 657 Ca -0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 1jyn s ALA 657 Cb -0.15 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1jyn s ALA 657 CO 0.04 -0.01 0.18 -1.17 0.00 0.00 0.00 175.76 174.81 1jyn s LEU 658 N -0.75 4.47 -1.46 0.00 2.96 0.15 -1.12 118.68 122.92 1jyn s LEU 658 Ca -0.05 -0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 52.99 1jyn s LEU 658 Cb -0.05 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.66 1jyn s LEU 658 CO -0.00 -0.31 0.56 0.47 -1.32 0.00 0.00 176.35 175.75 1jyn n ASP 659 N 4.99 -1.35 0.00 3.68 8.00 -0.86 -0.36 116.55 130.64 1jyn n ASP 659 Ca -0.13 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.41 1jyn n ASP 659 Cb 0.47 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.40 1jyn n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jyn n GLY 660 N -1.81 3.12 3.64 0.44 0.00 -1.26 -4.89 105.19 104.43 1jyn n GLY 660 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1jyn n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyn s LYS 661 N -0.29 4.12 0.31 1.61 1.02 0.51 -4.67 119.74 122.35 1jyn s LYS 661 Ca 0.00 0.31 -0.29 0.00 0.02 0.00 0.00 55.97 56.01 1jyn s LYS 661 Cb 0.00 -3.61 -0.11 0.00 -0.52 0.00 0.00 37.83 33.60 1jyn s LYS 661 CO 0.00 -0.24 1.43 -2.14 -0.92 0.00 0.00 175.35 173.48 1jyn s PRO 662 N 1.94 4.24 -0.04 -1.68 0.02 -1.26 0.33 135.00 138.54 1jyn s PRO 662 Ca 0.21 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.62 1jyn s PRO 662 Cb -0.15 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 1jyn s PRO 662 CO 0.09 -0.40 -0.03 1.28 -0.33 0.00 0.00 177.00 177.61 1jyn n LEU 663 N 1.37 2.44 -3.51 -5.54 4.77 0.26 -4.85 117.00 111.94 1jyn n LEU 663 Ca 0.03 -0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1jyn n LEU 663 Cb 0.40 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1jyn n LEU 663 CO 0.61 0.48 0.70 0.00 -1.33 0.00 0.00 177.39 177.85 1jyn s ALA 664 N -2.09 -1.82 0.03 -1.18 0.00 -1.01 -5.00 121.76 110.69 1jyn s ALA 664 Ca -0.05 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.63 1jyn s ALA 664 Cb 0.01 0.41 0.09 0.00 0.00 0.00 0.00 23.12 23.64 1jyn s ALA 664 CO 0.11 -0.69 1.01 -1.54 0.00 0.00 0.00 175.76 174.64 1jyn s SER 665 N -2.49 -0.23 0.20 0.00 1.04 -1.26 0.95 113.70 111.92 1jyn s SER 665 Ca 0.05 -0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.18 1jyn s SER 665 Cb -0.01 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.52 1jyn s SER 665 CO -0.09 -0.63 0.67 0.61 0.98 0.00 0.00 173.24 174.78 1jyn n GLY 666 N -0.34 1.00 2.96 7.32 0.00 -0.29 -4.97 105.19 110.87 1jyn n GLY 666 Ca -0.07 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 1jyn n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jyn s GLU 667 N -2.05 0.15 -0.02 1.61 2.02 -1.26 -0.79 118.70 118.35 1jyn s GLU 667 Ca 0.14 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 55.10 1jyn s GLU 667 Cb -0.03 0.06 0.02 0.00 0.10 0.00 0.00 34.13 34.28 1jyn s GLU 667 CO 0.06 -0.02 -0.02 0.08 0.02 0.00 0.00 175.26 175.38 1jyn s VAL 668 N -0.28 0.29 0.33 2.63 1.01 0.00 -4.99 120.40 119.38 1jyn s VAL 668 Ca -0.03 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 1jyn s VAL 668 Cb -0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.94 1jyn s VAL 668 CO 0.00 0.14 1.16 -2.16 0.00 0.00 0.00 175.10 174.24 1jyn s PRO 669 N 0.65 4.42 -0.08 2.72 0.04 -1.26 0.77 135.00 142.26 1jyn s PRO 669 Ca -0.07 1.88 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 1jyn s PRO 669 Cb -0.10 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1jyn s PRO 669 CO -0.01 -0.01 0.34 -0.51 0.04 0.00 0.00 177.00 176.85 1jyn s LEU 670 N -1.83 4.37 -0.42 -3.56 1.43 -0.76 -4.74 118.68 113.16 1jyn s LEU 670 Ca 0.49 0.73 0.05 0.00 -1.03 0.00 0.00 54.13 54.38 1jyn s LEU 670 Cb -0.33 -2.46 0.19 0.00 0.03 0.00 0.00 46.19 43.63 1jyn s LEU 670 CO 0.42 0.23 0.44 -0.67 0.23 0.00 0.00 176.35 177.00 1jyn n ASP 671 N 2.59 -0.70 -4.31 2.29 2.03 -1.26 -4.73 116.55 112.46 1jyn n ASP 671 Ca -0.13 -2.53 -0.32 0.00 0.52 0.00 0.00 54.79 52.32 1jyn n ASP 671 Cb 0.52 -0.27 -0.16 0.00 -0.72 0.00 0.00 41.12 40.49 1jyn n ASP 671 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1jyn s VAL 672 N -0.14 2.49 0.79 5.18 1.01 -1.26 -4.90 120.40 123.56 1jyn s VAL 672 Ca 0.33 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1jyn s VAL 672 Cb 0.07 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.54 1jyn s VAL 672 CO -0.17 0.55 1.08 0.00 0.00 0.00 0.00 175.10 176.57 1jyn s ALA 673 N 0.10 2.21 0.14 5.51 0.00 -1.26 -1.47 121.76 126.99 1jyn s ALA 673 Ca -0.09 0.02 -0.33 0.00 0.00 0.00 0.00 51.96 51.55 1jyn s ALA 673 Cb -0.15 -3.18 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 1jyn s ALA 673 CO 0.06 -1.74 1.67 -0.35 0.00 0.00 0.00 175.76 175.39 1jyn n PRO 674 N -3.48 2.35 -0.85 0.00 -0.04 -1.24 -0.77 135.00 130.98 1jyn n PRO 674 Ca 0.08 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 1jyn n PRO 674 Cb 0.55 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1jyn n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jyn n GLN 675 N 4.12 -0.31 -2.46 0.54 1.13 -0.90 -4.94 117.38 114.55 1jyn n GLN 675 Ca 0.17 0.08 -0.25 0.00 -1.94 0.00 0.00 57.00 55.06 1jyn n GLN 675 Cb 0.31 -3.58 0.14 0.00 0.11 0.00 0.00 30.24 27.22 1jyn n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jyn n GLY 676 N -1.72 0.14 3.17 1.08 0.00 0.05 -4.72 105.19 103.20 1jyn n GLY 676 Ca 0.00 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 1jyn n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyn s LYS 677 N -5.37 0.81 -0.03 1.61 1.02 -1.26 -1.32 119.74 115.21 1jyn s LYS 677 Ca 0.70 -0.98 0.02 0.00 0.02 0.00 0.00 55.97 55.73 1jyn s LYS 677 Cb -0.03 -0.74 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1jyn s LYS 677 CO 0.47 0.15 -0.09 -1.14 -0.92 0.00 0.00 175.35 173.83 1jyn s GLN 678 N -1.94 0.99 -0.14 1.68 0.74 -0.05 -4.90 119.66 116.03 1jyn s GLN 678 Ca -0.01 -0.30 -0.07 0.00 0.05 0.00 0.00 55.36 55.03 1jyn s GLN 678 Cb -0.09 -0.92 -0.04 0.00 1.10 0.00 0.00 33.01 33.07 1jyn s GLN 678 CO 0.02 0.10 0.13 -0.51 -0.55 0.00 0.00 175.29 174.47 1jyn s LEU 679 N 0.25 4.28 -0.13 3.68 1.43 -1.26 -1.37 118.68 125.56 1jyn s LEU 679 Ca -0.04 0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1jyn s LEU 679 Cb -0.09 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1jyn s LEU 679 CO 0.01 0.35 -0.08 -0.63 0.23 0.00 0.00 176.35 176.22 1jyn s ILE 680 N -0.65 1.13 -0.27 -0.59 1.01 -0.22 -5.00 121.20 116.62 1jyn s ILE 680 Ca 0.13 -0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 1jyn s ILE 680 Cb -0.12 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1jyn s ILE 680 CO 0.02 0.34 0.39 -0.70 0.00 0.00 0.00 174.94 175.00 1jyn s GLU 681 N 1.66 4.01 0.64 2.79 2.56 -1.26 -0.92 118.70 128.17 1jyn s GLU 681 Ca 0.04 0.07 -0.16 0.00 0.00 0.00 0.00 54.97 54.92 1jyn s GLU 681 Cb -0.13 -3.66 -0.01 0.00 2.00 0.00 0.00 34.13 32.33 1jyn s GLU 681 CO -0.09 -0.30 1.11 -0.51 -0.56 0.00 0.00 175.26 174.92 1jyn s LEU 682 N 2.11 3.45 0.78 2.70 1.43 0.20 -5.00 118.68 124.33 1jyn s LEU 682 Ca 0.16 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.15 1jyn s LEU 682 Cb -0.16 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.57 1jyn s LEU 682 CO 0.10 -1.53 1.10 -2.16 0.23 0.00 0.00 176.35 174.08 1jyn s PRO 683 N -3.99 2.25 0.16 1.29 0.04 -1.26 -4.93 135.00 128.56 1jyn s PRO 683 Ca 0.67 0.59 -0.34 0.00 0.04 0.00 0.00 61.00 61.96 1jyn s PRO 683 Cb -0.20 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.25 1jyn s PRO 683 CO 0.39 -1.49 1.47 -1.91 0.04 0.00 0.00 177.00 175.50 1jyn n GLU 684 N -3.34 1.85 -2.63 4.56 0.00 -1.26 -4.90 120.64 114.92 1jyn n GLU 684 Ca 0.07 0.67 -0.42 0.00 0.00 0.00 0.00 57.16 57.48 1jyn n GLU 684 Cb 0.57 -2.37 -0.03 0.00 0.00 0.00 0.00 31.44 29.60 1jyn n GLU 684 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1jyn s LEU 685 N 0.66 3.56 0.39 4.31 1.43 -1.26 -4.99 118.68 122.78 1jyn s LEU 685 Ca 0.78 -0.83 -0.28 0.00 -1.03 0.00 0.00 54.13 52.77 1jyn s LEU 685 Cb -0.74 -2.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.84 1jyn s LEU 685 CO 0.43 -1.66 1.48 -2.65 0.23 0.00 0.00 176.35 174.18 1jyn n PRO 686 N 8.81 2.62 -1.24 1.29 -0.02 -1.26 -4.92 135.00 140.29 1jyn n PRO 686 Ca 0.08 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 62.16 1jyn n PRO 686 Cb 0.49 -2.67 0.11 0.00 -0.02 0.00 0.00 33.50 31.40 1jyn n PRO 686 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1jyn s GLN 687 N -2.16 1.96 0.07 -0.52 1.11 -1.26 -5.03 119.66 113.84 1jyn s GLN 687 Ca 0.54 1.49 0.00 0.00 0.01 0.00 0.00 55.36 57.41 1jyn s GLN 687 Cb -0.47 -1.84 -0.04 0.00 -1.01 0.00 0.00 33.01 29.65 1jyn s GLN 687 CO 0.63 -1.92 0.21 -1.25 0.01 0.00 0.00 175.29 172.97 1jyn s PRO 688 N -4.40 3.40 -0.85 2.91 0.04 -1.26 -5.03 135.00 129.81 1jyn s PRO 688 Ca 0.68 -0.47 0.01 0.00 0.04 0.00 0.00 61.00 61.25 1jyn s PRO 688 Cb -0.23 -3.01 0.31 0.00 0.04 0.00 0.00 34.50 31.61 1jyn s PRO 688 CO 0.51 0.60 1.33 0.39 0.04 0.00 0.00 177.00 179.87 1jyn n GLU 689 N 0.23 4.14 0.00 4.56 -0.58 -1.26 -4.93 120.64 122.79 1jyn n GLU 689 Ca -0.05 -4.70 0.00 0.00 -0.42 0.00 0.00 57.16 51.99 1jyn n GLU 689 Cb 0.51 -2.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 1jyn n GLU 689 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1jyn n SER 690 N 0.35 0.00 -4.71 1.62 7.64 -1.26 -5.16 113.62 112.11 1jyn n SER 690 Ca 0.35 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.93 1jyn n SER 690 Cb 0.34 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.67 1jyn n SER 690 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jyn s ALA 691 N -2.00 1.59 0.00 -0.43 0.00 -1.26 -4.82 121.76 114.83 1jyn s ALA 691 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1jyn s ALA 691 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1jyn s ALA 691 CO 0.00 -2.36 0.00 0.41 0.00 0.00 0.00 175.76 173.81 1jyn n GLY 692 N -0.78 3.11 3.49 0.00 0.00 -0.36 -4.93 105.19 105.72 1jyn n GLY 692 Ca 0.08 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 1jyn n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jyn s GLN 693 N -1.99 3.68 0.08 1.61 2.00 -1.26 -0.71 119.66 123.07 1jyn s GLN 693 Ca 0.00 -0.51 -0.22 0.00 -2.00 0.00 0.00 55.36 52.63 1jyn s GLN 693 Cb 0.00 -2.98 -0.07 0.00 0.80 0.00 0.00 33.01 30.76 1jyn s GLN 693 CO 0.00 0.18 0.67 -0.51 -0.50 0.00 0.00 175.29 175.13 1jyn s LEU 694 N 0.54 4.51 -0.03 3.68 1.43 -0.47 -2.03 118.68 126.31 1jyn s LEU 694 Ca -0.02 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 54.51 1jyn s LEU 694 Cb -0.14 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 1jyn s LEU 694 CO 0.02 0.18 -0.15 0.26 0.23 0.00 0.00 176.35 176.89 1jyn s TRP 695 N -0.76 1.46 -0.20 0.29 0.52 -0.27 0.43 118.94 120.40 1jyn s TRP 695 Ca 0.33 -0.36 -0.07 0.00 0.02 0.00 0.00 56.10 56.03 1jyn s TRP 695 Cb -0.21 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.10 1jyn s TRP 695 CO 0.22 -0.10 0.04 -1.17 0.02 0.00 0.00 176.95 175.96 1jyn s LEU 696 N -0.10 3.53 -0.04 2.99 2.96 -0.05 -1.65 118.68 126.32 1jyn s LEU 696 Ca 0.00 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 1jyn s LEU 696 Cb -0.09 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1jyn s LEU 696 CO 0.01 0.09 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.02 1jyn s THR 697 N 0.88 2.43 0.06 3.68 2.01 -0.53 -0.78 115.64 123.39 1jyn s THR 697 Ca 0.03 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1jyn s THR 697 Cb -0.14 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1jyn s THR 697 CO 0.02 0.58 -0.16 0.68 -0.69 0.00 0.00 174.62 175.05 1jyn s VAL 698 N -0.54 1.28 0.03 3.82 -7.23 -0.36 -1.43 120.40 115.98 1jyn s VAL 698 Ca 0.07 -1.18 -0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1jyn s VAL 698 Cb -0.11 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 1jyn s VAL 698 CO 0.01 -0.03 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.60 1jyn s ARG 699 N -1.39 0.45 -0.24 4.82 0.52 -0.27 -2.00 118.95 120.84 1jyn s ARG 699 Ca 0.02 -0.85 -0.07 0.00 -0.52 0.00 0.00 55.73 54.31 1jyn s ARG 699 Cb -0.09 0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.45 1jyn s ARG 699 CO 0.02 -0.06 0.05 0.08 0.02 0.00 0.00 175.30 175.41 1jyn s VAL 700 N -2.34 4.17 -0.00 3.52 1.01 0.33 -0.60 120.40 126.49 1jyn s VAL 700 Ca -0.07 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1jyn s VAL 700 Cb -0.04 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1jyn s VAL 700 CO -0.04 0.35 -0.22 -0.69 0.00 0.00 0.00 175.10 174.50 1jyn s VAL 701 N 1.59 2.44 -0.44 2.92 1.01 0.02 -0.40 120.40 127.54 1jyn s VAL 701 Ca 0.06 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 1jyn s VAL 701 Cb -0.15 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.34 1jyn s VAL 701 CO 0.03 0.50 0.43 -1.10 0.00 0.00 0.00 175.10 174.95 1jyn s GLN 702 N -0.92 3.05 0.38 2.72 -0.21 0.24 -0.84 119.66 124.09 1jyn s GLN 702 Ca 0.12 -0.96 0.13 0.00 0.02 0.00 0.00 55.36 54.67 1jyn s GLN 702 Cb -0.10 -4.02 0.74 0.00 1.00 0.00 0.00 33.01 30.62 1jyn s GLN 702 CO 0.01 -0.92 1.84 -1.35 -2.12 0.00 0.00 175.29 172.75 1jyn h PRO 703 N 8.75 0.00 -6.11 2.91 0.11 -1.89 0.40 132.00 136.18 1jyn h PRO 703 Ca -0.27 -0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.18 1jyn h PRO 703 Cb 1.11 -0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.11 1jyn h PRO 703 CO 0.82 0.36 -0.61 -0.80 -0.21 0.00 0.00 178.00 177.56 1jyn s ASN 704 N -6.94 5.43 0.87 -2.05 0.02 -1.26 -3.86 114.94 107.15 1jyn s ASN 704 Ca -0.03 0.05 -0.11 0.00 -1.02 0.00 0.00 52.86 51.75 1jyn s ASN 704 Cb 0.14 -1.48 0.12 0.00 0.02 0.00 0.00 41.25 40.05 1jyn s ASN 704 CO 0.72 0.25 1.11 0.00 0.02 0.00 0.00 177.10 179.20 1jyn s ALA 705 N -1.21 1.67 0.23 0.60 0.00 -1.26 -4.41 121.76 117.38 1jyn s ALA 705 Ca 0.23 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.58 1jyn s ALA 705 Cb -0.12 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1jyn s ALA 705 CO 0.15 -2.39 0.14 0.25 0.00 0.00 0.00 175.76 173.91 1jyn n THR 706 N -3.95 0.00 0.30 0.00 -2.24 0.99 -4.87 114.28 104.50 1jyn n THR 706 Ca 0.10 -1.49 0.12 0.00 -2.27 0.00 0.00 64.05 60.51 1jyn n THR 706 Cb 0.53 0.65 0.56 0.00 -2.10 0.00 0.00 70.33 69.98 1jyn n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyn h ALA 707 N 1.56 1.00 0.00 6.98 0.00 -1.99 -3.20 119.26 123.60 1jyn h ALA 707 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jyn h ALA 707 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1jyn h ALA 707 CO 0.25 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.83 1jyn n TRP 708 N -2.32 0.00 -3.58 0.00 4.27 -1.26 -5.07 117.44 109.48 1jyn n TRP 708 Ca 0.01 -0.17 -0.11 0.00 -3.89 0.00 0.00 57.50 53.33 1jyn n TRP 708 Cb 0.16 -0.02 -0.04 0.00 -1.36 0.00 0.00 31.31 30.05 1jyn n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 1jyn s SER 709 N -0.34 -0.34 0.38 -0.67 1.04 -1.21 -4.64 113.70 107.91 1jyn s SER 709 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1jyn s SER 709 Cb 0.00 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1jyn s SER 709 CO 0.00 -0.84 0.59 -1.61 0.98 0.00 0.00 173.24 172.36 1jyn s GLU 710 N -3.50 3.40 0.54 4.02 2.02 -1.26 -0.01 118.70 123.92 1jyn s GLU 710 Ca 0.01 -0.32 -0.22 0.00 0.02 0.00 0.00 54.97 54.46 1jyn s GLU 710 Cb 0.01 -2.62 -0.06 0.00 0.10 0.00 0.00 34.13 31.56 1jyn s GLU 710 CO -0.10 0.03 1.26 0.00 0.02 0.00 0.00 175.26 176.47 1jyn n ALA 711 N -1.89 1.22 -0.02 5.21 0.00 -1.26 -2.00 120.51 121.77 1jyn n ALA 711 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1jyn n ALA 711 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1jyn n ALA 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyn n GLY 712 N 0.88 1.17 3.64 0.00 0.00 0.14 -4.90 105.19 106.12 1jyn n GLY 712 Ca 0.11 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.60 1jyn n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1jyn n HIS 713 N -2.00 1.78 -3.28 1.61 -0.00 -0.85 -4.56 115.22 107.92 1jyn n HIS 713 Ca 0.00 0.54 -0.39 0.00 0.46 0.00 0.00 57.72 58.33 1jyn n HIS 713 Cb 0.00 -2.41 -0.07 0.00 -0.12 0.00 0.00 29.99 27.39 1jyn n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1jyn s ILE 714 N 1.54 5.12 -0.84 3.57 1.01 -1.26 -0.59 121.20 129.75 1jyn s ILE 714 Ca 0.88 0.84 0.13 0.00 0.00 0.00 0.00 60.65 62.50 1jyn s ILE 714 Cb -0.94 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 37.64 1jyn s ILE 714 CO 0.51 0.16 0.62 -1.54 0.00 0.00 0.00 174.94 174.69 1jyn n SER 715 N 5.04 0.93 -3.50 3.58 3.41 0.46 -5.01 113.62 118.54 1jyn n SER 715 Ca -0.06 -0.96 -0.12 0.00 -0.26 0.00 0.00 58.87 57.47 1jyn n SER 715 Cb 0.50 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 1jyn n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyn s ALA 716 N -1.97 -1.78 0.23 7.33 0.00 -1.23 -4.68 121.76 119.66 1jyn s ALA 716 Ca 0.07 1.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.90 1jyn s ALA 716 Cb 0.10 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1jyn s ALA 716 CO 0.44 -0.57 0.60 1.67 0.00 0.00 0.00 175.76 177.91 1jyn s TRP 717 N -2.48 -0.14 -0.07 0.00 -2.14 -1.26 -0.51 118.94 112.35 1jyn s TRP 717 Ca -0.01 -0.24 -0.30 0.00 2.66 0.00 0.00 56.10 58.22 1jyn s TRP 717 Cb -0.01 0.51 0.10 0.00 -3.10 0.00 0.00 33.47 30.97 1jyn s TRP 717 CO -0.04 -1.04 0.84 -1.14 -2.66 0.00 0.00 176.95 172.91 1jyn s GLN 718 N -3.89 0.84 0.16 3.25 2.00 -0.85 -5.00 119.66 116.17 1jyn s GLN 718 Ca 0.11 0.05 0.04 0.00 -2.00 0.00 0.00 55.36 53.55 1jyn s GLN 718 Cb -0.03 0.39 -0.05 0.00 0.80 0.00 0.00 33.01 34.13 1jyn s GLN 718 CO 0.01 -0.29 -0.08 -0.65 -0.50 0.00 0.00 175.29 173.78 1jyn s GLN 719 N -1.73 1.09 0.02 1.67 -0.21 -1.26 -1.22 119.66 118.02 1jyn s GLN 719 Ca -0.03 -1.48 -0.07 0.00 0.02 0.00 0.00 55.36 53.79 1jyn s GLN 719 Cb -0.00 -0.56 -0.00 0.00 1.00 0.00 0.00 33.01 33.44 1jyn s GLN 719 CO 0.01 0.03 0.13 -1.58 -2.12 0.00 0.00 175.29 171.76 1jyn s TRP 720 N -3.39 0.10 0.17 0.91 0.51 0.04 -4.99 118.94 112.29 1jyn s TRP 720 Ca 0.19 -0.28 -0.26 0.00 -2.12 0.00 0.00 56.10 53.63 1jyn s TRP 720 Cb 0.03 -0.08 -0.08 0.00 -0.81 0.00 0.00 33.47 32.54 1jyn s TRP 720 CO 0.02 -0.34 0.81 1.03 -0.51 0.00 0.00 176.95 177.95 1jyn s ARG 721 N -1.98 4.61 0.00 4.98 0.52 -1.26 -0.87 118.95 124.95 1jyn s ARG 721 Ca -0.10 1.21 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 1jyn s ARG 721 Cb -0.04 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.15 1jyn s ARG 721 CO -0.01 0.54 0.00 1.28 0.02 0.00 0.00 175.30 177.13 1jyn n LEU 722 N 1.67 0.00 -4.73 2.53 4.77 0.17 -4.89 117.00 116.51 1jyn n LEU 722 Ca -0.05 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.58 1jyn n LEU 722 Cb 0.48 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1jyn n LEU 722 CO 0.47 0.00 0.84 0.00 -1.33 0.00 0.00 177.39 177.37 1jyn s ALA 723 N -2.64 2.28 -0.01 -1.18 0.00 -1.26 -4.63 121.76 114.32 1jyn s ALA 723 Ca 0.00 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.00 1jyn s ALA 723 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1jyn s ALA 723 CO 0.00 -1.64 -0.15 -2.00 0.00 0.00 0.00 175.76 171.97 1jyn s GLU 724 N -3.64 1.24 -0.28 0.00 2.12 -1.26 -1.37 118.70 115.50 1jyn s GLU 724 Ca 0.77 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.59 1jyn s GLU 724 Cb -0.32 -1.19 0.07 0.00 0.26 0.00 0.00 34.13 32.95 1jyn s GLU 724 CO 0.41 0.32 -0.07 -0.80 -0.54 0.00 0.00 175.26 174.58 1jyn s ASN 725 N -0.33 4.56 0.40 -1.70 0.01 0.11 -4.97 114.94 113.03 1jyn s ASN 725 Ca 0.05 -1.54 -0.25 0.00 -0.71 0.00 0.00 52.86 50.41 1jyn s ASN 725 Cb -0.06 -1.58 -0.08 0.00 0.41 0.00 0.00 41.25 39.93 1jyn s ASN 725 CO -0.00 -0.24 1.18 -0.76 -1.51 0.00 0.00 177.10 175.77 1jyn s LEU 726 N 1.08 4.18 0.00 0.60 1.43 -1.26 -1.23 118.68 123.48 1jyn s LEU 726 Ca -0.05 2.38 -0.30 0.00 -1.03 0.00 0.00 54.13 55.13 1jyn s LEU 726 Cb -0.20 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 1jyn s LEU 726 CO -0.05 -0.71 0.97 -0.55 0.23 0.00 0.00 176.35 176.23 1jyn s SER 727 N -1.11 7.36 -0.00 2.29 0.15 -1.26 -4.88 113.70 116.26 1jyn s SER 727 Ca 0.57 1.65 0.01 0.00 0.70 0.00 0.00 55.95 58.88 1jyn s SER 727 Cb -0.31 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.44 1jyn s SER 727 CO 0.39 -0.25 0.96 1.33 1.20 0.00 0.00 173.24 176.88 1jyn n VAL 728 N 3.85 0.93 -3.09 4.45 0.24 -1.26 -5.02 118.33 118.43 1jyn n VAL 728 Ca 0.06 -0.94 -0.40 0.00 -2.04 0.00 0.00 64.34 61.01 1jyn n VAL 728 Cb 0.51 0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 1jyn n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1jyn s THR 729 N -0.96 5.00 0.38 3.34 -4.23 -1.26 -5.02 115.64 112.88 1jyn s THR 729 Ca 0.01 1.23 -0.28 0.00 -1.18 0.00 0.00 61.69 61.47 1jyn s THR 729 Cb 0.01 -3.96 -0.11 0.00 1.34 0.00 0.00 72.50 69.77 1jyn s THR 729 CO 0.00 0.09 1.48 0.18 -0.54 0.00 0.00 174.62 175.83 1jyn n LEU 730 N 5.15 4.77 0.22 4.79 4.32 -1.26 -4.97 117.00 130.02 1jyn n LEU 730 Ca -0.01 1.22 -0.17 0.00 -0.02 0.00 0.00 56.01 57.04 1jyn n LEU 730 Cb 0.49 -1.62 -0.10 0.00 -1.62 0.00 0.00 43.42 40.58 1jyn n LEU 730 CO 0.44 0.12 0.52 1.55 -1.22 0.00 0.00 177.39 178.80 1jyn h PRO 731 N 2.89 -0.86 0.00 3.23 0.13 -2.04 -3.49 132.00 131.86 1jyn h PRO 731 Ca -0.51 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1jyn h PRO 731 Cb 1.25 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1jyn h PRO 731 CO 0.64 -0.57 0.00 0.00 -0.23 0.00 0.00 178.00 177.83 1jyn n ALA 732 N -2.83 0.00 -1.62 -0.56 0.00 -1.26 -5.10 120.51 109.14 1jyn n ALA 732 Ca -0.10 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.82 1jyn n ALA 732 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1jyn n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jyn n ALA 733 N -0.37 -0.55 -1.84 0.00 0.00 -1.26 -4.92 120.51 111.57 1jyn n ALA 733 Ca 0.00 0.49 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 1jyn n ALA 733 Cb 0.00 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.25 1jyn n ALA 733 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jyn s SER 734 N 0.99 7.61 0.57 0.00 1.04 -1.26 -4.93 113.70 117.72 1jyn s SER 734 Ca 0.86 1.91 0.34 0.00 0.48 0.00 0.00 55.95 59.53 1jyn s SER 734 Cb -0.93 -2.60 1.68 0.00 0.10 0.00 0.00 66.02 64.28 1jyn s SER 734 CO 0.48 0.13 2.12 0.45 0.98 0.00 0.00 173.24 177.40 1jyn h HIS 735 N 4.38 0.00 -4.13 5.02 3.86 -1.91 -3.46 115.15 118.91 1jyn h HIS 735 Ca -0.45 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.49 1jyn h HIS 735 Cb 1.20 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.52 1jyn h HIS 735 CO 0.62 0.05 -0.63 0.00 0.86 0.00 0.00 177.93 178.83 1jyn s ALA 736 N -4.02 1.33 -0.09 2.45 0.00 -1.26 -5.16 121.76 115.00 1jyn s ALA 736 Ca -0.02 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.26 1jyn s ALA 736 Cb 0.12 1.01 0.02 0.00 0.00 0.00 0.00 23.12 24.27 1jyn s ALA 736 CO 0.53 -0.48 -0.11 0.42 0.00 0.00 0.00 175.76 176.12 1jyn s ILE 737 N -3.91 1.17 0.60 0.00 1.01 -1.26 -4.20 121.20 114.61 1jyn s ILE 737 Ca 0.33 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 1jyn s ILE 737 Cb 0.07 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 1jyn s ILE 737 CO 0.09 0.38 1.31 -2.84 0.00 0.00 0.00 174.94 173.87 1jyn s PRO 738 N 1.13 2.84 -0.10 2.79 0.02 -1.26 -4.96 135.00 135.47 1jyn s PRO 738 Ca -0.05 2.10 -0.03 0.00 0.02 0.00 0.00 61.00 63.04 1jyn s PRO 738 Cb -0.14 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 1jyn s PRO 738 CO -0.02 -1.38 0.01 -1.58 -0.33 0.00 0.00 177.00 173.70 1jyn s HIS 739 N -1.38 3.19 -0.21 6.54 2.46 0.10 -4.76 115.29 121.23 1jyn s HIS 739 Ca 0.78 0.19 -0.09 0.00 0.47 0.00 0.00 55.06 56.41 1jyn s HIS 739 Cb -0.38 -1.82 -0.04 0.00 -0.13 0.00 0.00 32.58 30.21 1jyn s HIS 739 CO 0.42 0.46 0.10 -1.17 -2.47 0.00 0.00 174.74 172.08 1jyn s LEU 740 N -0.79 3.96 -0.30 8.88 2.96 -1.26 -1.38 118.68 130.75 1jyn s LEU 740 Ca 0.12 0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 54.08 1jyn s LEU 740 Cb -0.12 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1jyn s LEU 740 CO 0.02 0.13 0.07 -0.89 -1.32 0.00 0.00 176.35 174.37 1jyn s THR 741 N 0.63 3.82 -0.15 3.68 2.01 0.49 -5.00 115.64 121.12 1jyn s THR 741 Ca 0.06 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 1jyn s THR 741 Cb -0.13 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1jyn s THR 741 CO 0.01 0.02 0.11 -0.89 -0.69 0.00 0.00 174.62 173.18 1jyn s THR 742 N 1.46 5.21 0.23 -0.82 2.01 -1.26 -1.55 115.64 120.91 1jyn s THR 742 Ca 0.01 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1jyn s THR 742 Cb -0.18 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1jyn s THR 742 CO 0.02 0.53 0.09 -0.94 -0.69 0.00 0.00 174.62 173.63 1jyn s SER 743 N -0.32 0.94 0.22 3.53 1.04 -0.20 -5.02 113.70 113.89 1jyn s SER 743 Ca 0.10 -1.35 -0.09 0.00 0.48 0.00 0.00 55.95 55.10 1jyn s SER 743 Cb -0.12 0.21 0.24 0.00 0.10 0.00 0.00 66.02 66.45 1jyn s SER 743 CO 0.01 -0.73 1.83 -0.33 0.98 0.00 0.00 173.24 175.01 1jyn h GLU 744 N 2.50 0.79 -0.01 4.02 4.39 -2.03 -3.08 114.58 121.15 1jyn h GLU 744 Ca -0.37 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1jyn h GLU 744 Cb 1.24 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1jyn h GLU 744 CO 0.59 0.52 -0.49 0.00 -1.16 0.00 0.00 179.01 178.48 1jyn n MET 745 N -4.70 0.94 -3.72 2.33 0.00 -1.26 -4.82 117.12 105.89 1jyn n MET 745 Ca 0.09 -0.73 -0.11 0.00 0.00 0.00 0.00 57.70 56.95 1jyn n MET 745 Cb 0.14 -1.48 -0.06 0.00 0.00 0.00 0.00 33.22 31.81 1jyn n MET 745 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1jyn s ASP 746 N -2.56 -0.15 -0.26 3.17 1.01 -1.17 -0.02 116.67 116.69 1jyn s ASP 746 Ca 0.18 -0.24 -0.04 0.00 0.71 0.00 0.00 52.55 53.17 1jyn s ASP 746 Cb 0.18 0.39 0.01 0.00 1.01 0.00 0.00 42.92 44.52 1jyn s ASP 746 CO 0.60 -0.69 -0.01 -0.36 0.21 0.00 0.00 175.17 174.92 1jyn s PHE 747 N -2.98 3.07 0.04 4.23 0.08 0.42 -1.03 117.98 121.80 1jyn s PHE 747 Ca -0.02 -1.24 0.07 0.00 0.12 0.00 0.00 56.93 55.86 1jyn s PHE 747 Cb 0.01 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1jyn s PHE 747 CO -0.06 -0.64 -0.19 0.00 -0.10 0.00 0.00 175.22 174.23 1jyn s ILE 749 N -0.91 1.58 0.01 0.00 1.09 -0.22 -0.38 121.20 122.36 1jyn s ILE 749 Ca 0.14 -0.82 0.06 0.00 -1.10 0.00 0.00 60.65 58.93 1jyn s ILE 749 Cb -0.10 -1.33 -0.02 0.00 -1.06 0.00 0.00 42.46 39.95 1jyn s ILE 749 CO 0.05 0.45 -0.18 -1.61 -0.10 0.00 0.00 174.94 173.55 1jyn s GLU 750 N -0.20 1.34 -0.22 2.79 8.01 -0.48 -1.29 118.70 128.65 1jyn s GLU 750 Ca 0.01 -0.73 -0.03 0.00 0.01 0.00 0.00 54.97 54.23 1jyn s GLU 750 Cb -0.10 -1.35 0.12 0.00 -4.31 0.00 0.00 34.13 28.49 1jyn s GLU 750 CO 0.01 0.36 0.32 -1.17 0.01 0.00 0.00 175.26 174.79 1jyn s LEU 751 N -0.72 -0.43 0.00 1.80 2.96 -0.10 -0.72 118.68 121.46 1jyn s LEU 751 Ca 0.06 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1jyn s LEU 751 Cb -0.07 0.84 0.00 0.00 0.50 0.00 0.00 46.19 47.46 1jyn s LEU 751 CO 0.00 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 1jyn n GLY 752 N 5.35 3.44 1.27 7.98 0.00 -1.26 -1.27 105.19 120.70 1jyn n GLY 752 Ca -0.04 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.85 1jyn n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jyn n ASN 753 N 4.03 3.64 -4.62 1.61 6.94 -1.26 -4.91 115.26 120.68 1jyn n ASN 753 Ca 0.00 -2.49 -0.27 0.00 -0.02 0.00 0.00 54.58 51.80 1jyn n ASN 753 Cb 0.00 -0.58 -0.09 0.00 -2.36 0.00 0.00 39.78 36.76 1jyn n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jyn s LYS 754 N -1.97 2.26 -0.02 -3.83 1.02 -0.39 0.15 119.74 116.96 1jyn s LYS 754 Ca 0.32 -1.13 -0.07 0.00 0.02 0.00 0.00 55.97 55.10 1jyn s LYS 754 Cb 0.23 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1jyn s LYS 754 CO 0.10 0.46 0.16 0.50 -0.92 0.00 0.00 175.35 175.65 1jyn s ARG 755 N -2.77 0.42 0.05 1.68 3.52 -0.95 -0.93 118.95 119.97 1jyn s ARG 755 Ca 0.26 -0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.72 1jyn s ARG 755 Cb -0.09 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 1jyn s ARG 755 CO 0.17 -0.09 -0.18 -1.58 -0.81 0.00 0.00 175.30 172.81 1jyn s TRP 756 N -0.96 1.56 -0.10 5.12 0.51 -0.41 -0.98 118.94 123.68 1jyn s TRP 756 Ca -0.10 -0.38 0.01 0.00 -2.12 0.00 0.00 56.10 53.51 1jyn s TRP 756 Cb -0.06 -0.91 0.02 0.00 -0.81 0.00 0.00 33.47 31.71 1jyn s TRP 756 CO 0.01 0.08 -0.11 -1.14 -0.51 0.00 0.00 176.95 175.29 1jyn s GLN 757 N -1.29 1.73 -0.30 4.98 0.74 0.24 -1.05 119.66 124.71 1jyn s GLN 757 Ca 0.05 -0.37 -0.07 0.00 0.05 0.00 0.00 55.36 55.02 1jyn s GLN 757 Cb -0.09 -1.61 0.01 0.00 1.10 0.00 0.00 33.01 32.43 1jyn s GLN 757 CO 0.02 -0.15 0.08 -0.06 -0.55 0.00 0.00 175.29 174.63 1jyn s PHE 758 N 1.27 3.16 -0.00 1.67 0.40 0.16 -0.59 117.98 124.04 1jyn s PHE 758 Ca -0.03 -1.07 -0.30 0.00 -0.60 0.00 0.00 56.93 54.93 1jyn s PHE 758 Cb -0.14 -2.25 -0.05 0.00 0.51 0.00 0.00 43.02 41.09 1jyn s PHE 758 CO -0.04 -0.61 1.29 1.21 0.70 0.00 0.00 175.22 177.78 1jyn s ASN 759 N 1.48 6.96 0.36 1.36 3.84 -0.70 -0.44 114.94 127.80 1jyn s ASN 759 Ca 0.02 2.00 0.27 0.00 0.21 0.00 0.00 52.86 55.36 1jyn s ASN 759 Cb -0.18 -2.56 0.89 0.00 -0.55 0.00 0.00 41.25 38.85 1jyn s ASN 759 CO 0.02 -0.62 1.77 0.03 -2.79 0.00 0.00 177.10 175.52 1jyn h ARG 760 N 7.44 0.00 0.08 0.43 3.08 -0.76 0.16 114.38 124.81 1jyn h ARG 760 Ca -0.37 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.35 1jyn h ARG 760 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 1jyn h ARG 760 CO 0.88 0.00 -1.77 1.96 -1.07 0.00 0.00 179.97 179.97 1jyn h GLN 761 N 0.00 0.17 0.06 0.04 4.20 -1.91 -3.39 115.11 114.28 1jyn h GLN 761 Ca 0.00 -0.29 -0.31 0.00 0.06 0.00 0.00 58.65 58.11 1jyn h GLN 761 Cb 0.64 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1jyn h GLN 761 CO 0.00 0.94 -1.74 0.66 -0.67 0.00 0.00 178.83 178.02 1jyn h SER 762 N 0.05 0.21 0.00 1.46 4.64 -1.93 -3.44 113.55 114.54 1jyn h SER 762 Ca -0.33 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.58 1jyn h SER 762 Cb 2.02 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1jyn h SER 762 CO 0.11 1.36 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 1jyn n GLY 763 N 1.71 0.48 3.43 -0.77 0.00 0.57 -4.78 105.19 105.82 1jyn n GLY 763 Ca -0.21 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1jyn n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jyn s PHE 764 N -2.00 2.11 -0.39 1.61 0.08 -1.24 -4.93 117.98 113.21 1jyn s PHE 764 Ca 0.00 -0.41 -0.28 0.00 0.12 0.00 0.00 56.93 56.36 1jyn s PHE 764 Cb 0.00 -0.93 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 1jyn s PHE 764 CO 0.00 0.60 1.79 -1.17 -0.10 0.00 0.00 175.22 176.34 1jyn s LEU 765 N -3.45 3.47 0.03 -0.37 2.96 -1.26 -1.72 118.68 118.35 1jyn s LEU 765 Ca 0.28 1.10 0.22 0.00 -0.22 0.00 0.00 54.13 55.51 1jyn s LEU 765 Cb -0.04 -3.33 -0.21 0.00 0.50 0.00 0.00 46.19 43.11 1jyn s LEU 765 CO 0.12 -1.82 0.70 -1.54 -1.32 0.00 0.00 176.35 172.50 1jyn n SER 766 N 10.68 0.34 -3.62 3.68 3.41 0.24 -2.00 113.62 126.35 1jyn n SER 766 Ca 0.22 -0.05 -0.16 0.00 -0.26 0.00 0.00 58.87 58.62 1jyn n SER 766 Cb 0.48 1.44 -0.07 0.00 -0.26 0.00 0.00 64.21 65.80 1jyn n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1jyn s GLN 767 N -3.40 0.89 -0.04 4.33 2.00 -1.17 -4.44 119.66 117.83 1jyn s GLN 767 Ca -0.04 0.20 -0.02 0.00 -2.00 0.00 0.00 55.36 53.50 1jyn s GLN 767 Cb 0.13 0.41 0.02 0.00 0.80 0.00 0.00 33.01 34.38 1jyn s GLN 767 CO 0.87 -0.25 0.09 1.41 -0.50 0.00 0.00 175.29 176.91 1jyn s MET 768 N -1.02 0.06 0.02 1.67 -2.45 -1.26 -0.59 119.30 115.72 1jyn s MET 768 Ca -0.10 0.23 0.08 0.00 -1.25 0.00 0.00 55.69 54.64 1jyn s MET 768 Cb -0.02 -0.12 -0.02 0.00 1.25 0.00 0.00 34.83 35.92 1jyn s MET 768 CO 0.07 -0.11 -0.24 -1.58 1.05 0.00 0.00 175.02 174.21 1jyn s TRP 769 N 0.73 2.15 -0.38 4.11 0.51 -0.15 -0.12 118.94 125.78 1jyn s TRP 769 Ca -0.06 -0.40 -0.07 0.00 -2.12 0.00 0.00 56.10 53.46 1jyn s TRP 769 Cb -0.08 -1.33 0.07 0.00 -0.81 0.00 0.00 33.47 31.33 1jyn s TRP 769 CO -0.03 0.05 0.18 0.42 -0.51 0.00 0.00 176.95 177.06 1jyn s ILE 770 N -0.70 3.82 0.00 2.03 1.01 0.06 -2.24 121.20 125.18 1jyn s ILE 770 Ca 0.10 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.31 1jyn s ILE 770 Cb -0.09 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1jyn s ILE 770 CO 0.01 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.15 1jyn n GLY 771 N 4.80 1.92 0.99 6.18 0.00 0.12 -1.02 105.19 118.18 1jyn n GLY 771 Ca -0.10 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.52 1jyn n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jyn n ASP 772 N 4.49 2.87 -4.60 1.61 5.68 -1.26 -4.88 116.55 120.45 1jyn n ASP 772 Ca 0.00 -1.99 -0.40 0.00 -0.50 0.00 0.00 54.79 51.90 1jyn n ASP 772 Cb 0.00 -0.35 -0.08 0.00 -1.14 0.00 0.00 41.12 39.55 1jyn n ASP 772 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jyn s LYS 773 N -1.30 3.94 0.26 0.11 -0.14 -0.19 -5.06 119.74 117.36 1jyn s LYS 773 Ca 0.36 0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 54.76 1jyn s LYS 773 Cb 0.19 -3.69 -0.10 0.00 -1.68 0.00 0.00 37.83 32.55 1jyn s LYS 773 CO 0.25 -0.39 1.30 0.15 -0.76 0.00 0.00 175.35 175.89 1jyn s LYS 774 N 2.22 4.40 -0.01 1.68 1.02 -1.26 -0.76 119.74 127.03 1jyn s LYS 774 Ca 0.18 2.11 0.18 0.00 0.02 0.00 0.00 55.97 58.46 1jyn s LYS 774 Cb -0.16 -3.14 -0.25 0.00 -0.52 0.00 0.00 37.83 33.77 1jyn s LYS 774 CO 0.10 -0.19 0.57 1.04 -0.92 0.00 0.00 175.35 175.95 1jyn n GLN 775 N 1.75 0.78 -4.44 1.68 1.13 0.83 -4.72 117.38 114.38 1jyn n GLN 775 Ca 0.03 -0.09 -0.30 0.00 -1.94 0.00 0.00 57.00 54.70 1jyn n GLN 775 Cb 0.42 -1.40 -0.12 0.00 0.11 0.00 0.00 30.24 29.25 1jyn n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1jyn s LEU 776 N -3.65 2.57 -0.11 1.08 1.43 -1.26 0.59 118.68 119.33 1jyn s LEU 776 Ca -0.01 -0.57 0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1jyn s LEU 776 Cb 0.13 -1.46 -0.16 0.00 0.03 0.00 0.00 46.19 44.73 1jyn s LEU 776 CO 0.76 0.20 0.07 0.18 0.23 0.00 0.00 176.35 177.79 1jyn n LEU 777 N 1.05 0.00 -3.98 1.79 4.77 0.21 -4.64 117.00 116.20 1jyn n LEU 777 Ca -0.16 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 1jyn n LEU 777 Cb 0.53 0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.76 1jyn n LEU 777 CO 0.27 0.27 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.32 1jyn s THR 778 N -2.37 0.31 1.00 -5.08 2.01 -1.00 -4.93 115.64 105.58 1jyn s THR 778 Ca -0.06 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 1jyn s THR 778 Cb 0.04 -0.36 0.15 0.00 0.01 0.00 0.00 72.50 72.34 1jyn s THR 778 CO 0.51 -0.23 0.87 -2.65 -0.69 0.00 0.00 174.62 172.43 1jyn n PRO 779 N 2.12 -0.95 -2.82 4.92 -0.02 -1.26 -3.62 135.00 133.36 1jyn n PRO 779 Ca -0.19 -0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 60.64 1jyn n PRO 779 Cb 0.56 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1jyn n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jyn s LEU 780 N -5.15 4.01 0.09 2.45 2.96 -0.84 -4.49 118.68 117.70 1jyn s LEU 780 Ca 0.64 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.93 1jyn s LEU 780 Cb -0.22 -3.21 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 1jyn s LEU 780 CO 0.62 -0.94 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.49 1jyn s ARG 781 N 3.59 0.80 0.74 1.98 0.52 -0.32 -4.27 118.95 121.98 1jyn s ARG 781 Ca 0.37 -1.12 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 1jyn s ARG 781 Cb -0.11 -0.45 0.04 0.00 0.52 0.00 0.00 34.95 34.95 1jyn s ARG 781 CO 0.22 0.06 1.17 -0.51 0.02 0.00 0.00 175.30 176.27 1jyn s ASP 782 N -2.39 4.25 -0.06 0.23 1.11 -1.26 -0.06 116.67 118.49 1jyn s ASP 782 Ca 0.04 2.23 -0.02 0.00 0.18 0.00 0.00 52.55 54.98 1jyn s ASP 782 Cb -0.03 -2.57 0.04 0.00 1.07 0.00 0.00 42.92 41.43 1jyn s ASP 782 CO -0.01 -2.22 0.12 -1.58 1.18 0.00 0.00 175.17 172.66 1jyn s GLN 783 N -4.09 0.03 0.00 8.23 0.74 0.56 -4.73 119.66 120.39 1jyn s GLN 783 Ca 0.71 0.38 0.04 0.00 0.05 0.00 0.00 55.36 56.54 1jyn s GLN 783 Cb -0.26 -0.26 0.07 0.00 1.10 0.00 0.00 33.01 33.67 1jyn s GLN 783 CO 0.47 -0.22 0.89 1.19 -0.55 0.00 0.00 175.29 177.07 1jyn n PHE 784 N 4.62 0.09 -4.37 1.67 3.72 -1.26 -1.94 117.46 119.98 1jyn n PHE 784 Ca -0.19 -0.30 -0.19 0.00 -0.05 0.00 0.00 57.45 56.73 1jyn n PHE 784 Cb 0.51 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.92 1jyn n PHE 784 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1jyn s THR 785 N -0.72 1.07 0.07 4.37 -4.23 -1.26 -3.22 115.64 111.72 1jyn s THR 785 Ca 0.06 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1jyn s THR 785 Cb 0.04 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1jyn s THR 785 CO 0.05 -0.20 -0.07 0.00 -0.54 0.00 0.00 174.62 173.87 1jyn s ARG 786 N -3.88 0.67 0.00 3.99 1.70 -1.26 -4.76 118.95 115.41 1jyn s ARG 786 Ca 0.32 -1.04 -0.30 0.00 -0.47 0.00 0.00 55.73 54.24 1jyn s ARG 786 Cb 0.07 -0.21 -0.07 0.00 -0.57 0.00 0.00 34.95 34.16 1jyn s ARG 786 CO 0.11 0.01 1.73 0.00 -1.08 0.00 0.00 175.30 176.07 1jyn s ALA 787 N -2.55 3.63 0.19 7.88 0.00 -1.26 -4.86 121.76 124.79 1jyn s ALA 787 Ca 0.01 1.11 -0.33 0.00 0.00 0.00 0.00 51.96 52.75 1jyn s ALA 787 Cb -0.02 -3.76 -0.13 0.00 0.00 0.00 0.00 23.12 19.21 1jyn s ALA 787 CO -0.03 -1.36 1.56 -0.35 0.00 0.00 0.00 175.76 175.58 1jyn n PRO 788 N 6.79 2.22 -1.69 0.00 -0.04 -1.26 -1.43 135.00 139.60 1jyn n PRO 788 Ca 0.17 0.80 -0.29 0.00 -0.04 0.00 0.00 63.50 64.14 1jyn n PRO 788 Cb 0.42 -2.55 0.10 0.00 -0.04 0.00 0.00 33.50 31.43 1jyn n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jyn s LEU 789 N 0.66 2.36 0.28 1.53 1.43 -1.26 -4.61 118.68 119.07 1jyn s LEU 789 Ca 0.75 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 1jyn s LEU 789 Cb -0.64 -3.46 0.58 0.00 0.03 0.00 0.00 46.19 42.70 1jyn s LEU 789 CO 0.41 -2.12 1.82 0.44 0.23 0.00 0.00 176.35 177.13 1jyn h ASP 790 N -1.20 0.88 0.70 2.29 3.32 -1.87 0.91 116.42 121.46 1jyn h ASP 790 Ca -0.48 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 1jyn h ASP 790 Cb 1.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1jyn h ASP 790 CO 0.63 0.44 -0.24 0.78 -1.72 0.00 0.00 179.24 179.13 1jyn h ASN 791 N 0.93 0.00 0.83 6.45 2.35 -1.85 0.48 115.58 124.77 1jyn h ASN 791 Ca 0.51 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.09 1jyn h ASN 791 Cb 0.57 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1jyn h ASN 791 CO -0.29 0.24 -0.79 0.44 -1.65 0.00 0.00 177.43 175.37 1jyn h ASP 792 N 0.00 0.00 0.15 5.81 3.32 -1.16 -3.33 116.42 121.20 1jyn h ASP 792 Ca -0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1jyn h ASP 792 Cb 0.65 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.22 1jyn h ASP 792 CO 0.03 0.79 -1.13 0.40 -1.72 0.00 0.00 179.24 177.61 1jyn h ILE 793 N 0.00 1.30 0.00 0.35 2.04 -0.81 0.07 117.51 120.47 1jyn h ILE 793 Ca -0.01 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1jyn h ILE 793 Cb 1.42 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 40.51 1jyn h ILE 793 CO 0.10 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.59 1jyn n GLY 794 N 1.71 2.23 0.42 5.37 0.00 0.11 -1.55 105.19 113.47 1jyn n GLY 794 Ca -0.18 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.46 1jyn n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jyn n VAL 795 N 0.00 0.01 -1.72 1.61 0.24 -1.26 -4.91 118.33 112.30 1jyn n VAL 795 Ca 0.00 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.34 61.67 1jyn n VAL 795 Cb 0.00 0.35 0.01 0.00 -1.47 0.00 0.00 33.84 32.73 1jyn n VAL 795 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1jyn n SER 796 N 0.02 2.83 -3.81 -1.34 2.88 -0.60 -4.80 113.62 108.81 1jyn n SER 796 Ca 0.20 1.14 -0.12 0.00 -1.33 0.00 0.00 58.87 58.75 1jyn n SER 796 Cb 0.32 -1.53 -0.10 0.00 -0.75 0.00 0.00 64.21 62.16 1jyn n SER 796 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1jyn s GLU 797 N -2.18 0.52 0.35 -1.46 2.02 -0.59 -4.90 118.70 112.46 1jyn s GLU 797 Ca 0.59 -0.15 0.11 0.00 0.02 0.00 0.00 54.97 55.54 1jyn s GLU 797 Cb -0.50 0.23 0.87 0.00 0.10 0.00 0.00 34.13 34.82 1jyn s GLU 797 CO 0.59 -0.13 1.82 0.00 0.02 0.00 0.00 175.26 177.57 1jyn h ALA 798 N 4.42 1.89 0.00 5.21 0.00 -1.99 1.36 119.26 130.15 1jyn h ALA 798 Ca -0.29 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jyn h ALA 798 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1jyn h ALA 798 CO 0.39 -0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.68 1jyn n THR 799 N -4.62 0.58 -2.83 0.00 -2.24 -1.26 -4.51 114.28 99.39 1jyn n THR 799 Ca 0.21 -0.27 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1jyn n THR 799 Cb 0.59 -0.59 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1jyn n THR 799 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1jyn s ARG 800 N -3.10 0.75 0.32 -0.78 3.52 0.44 -5.14 118.95 114.96 1jyn s ARG 800 Ca 0.11 -0.62 -0.29 0.00 -0.13 0.00 0.00 55.73 54.79 1jyn s ARG 800 Cb 0.13 -0.00 -0.11 0.00 -1.56 0.00 0.00 34.95 33.40 1jyn s ARG 800 CO 0.59 -0.96 1.57 -0.89 -0.81 0.00 0.00 175.30 174.80 1jyn n ILE 801 N 3.23 1.33 -3.51 4.11 2.08 0.37 -1.54 119.36 125.43 1jyn n ILE 801 Ca 0.14 -0.33 -0.42 0.00 0.56 0.00 0.00 62.75 62.70 1jyn n ILE 801 Cb 0.59 -1.98 -0.08 0.00 -0.75 0.00 0.00 39.64 37.42 1jyn n ILE 801 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1jyn s ASP 802 N 0.30 5.79 0.40 4.38 -1.08 -1.26 -4.86 116.67 120.35 1jyn s ASP 802 Ca 0.61 -1.87 0.28 0.00 -0.52 0.00 0.00 52.55 51.05 1jyn s ASP 802 Cb -0.49 -2.05 1.46 0.00 -1.46 0.00 0.00 42.92 40.38 1jyn s ASP 802 CO 0.53 -0.71 1.85 1.55 0.52 0.00 0.00 175.17 178.91 1jyn h PRO 803 N 8.53 0.00 0.00 4.34 0.13 -1.95 -1.56 132.00 141.49 1jyn h PRO 803 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1jyn h PRO 803 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1jyn h PRO 803 CO 0.89 0.00 -0.38 -1.71 -0.23 0.00 0.00 178.00 176.57 1jyn n ASN 804 N -2.48 0.53 -4.76 1.44 4.05 -1.26 -4.08 115.26 108.69 1jyn n ASN 804 Ca -0.01 0.16 -0.36 0.00 0.45 0.00 0.00 54.58 54.81 1jyn n ASN 804 Cb 0.08 -0.08 0.02 0.00 1.23 0.00 0.00 39.78 41.02 1jyn n ASN 804 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jyn s ALA 805 N -3.08 2.65 0.21 5.20 0.00 -0.59 -4.74 121.76 121.41 1jyn s ALA 805 Ca 0.10 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 1jyn s ALA 805 Cb 0.15 -3.41 0.25 0.00 0.00 0.00 0.00 23.12 20.11 1jyn s ALA 805 CO 0.66 -0.96 1.80 -1.49 0.00 0.00 0.00 175.76 175.77 1jyn h TRP 806 N 1.13 0.65 -0.42 0.00 4.06 -1.79 -0.78 115.95 118.80 1jyn h TRP 806 Ca -0.50 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.49 1jyn h TRP 806 Cb 1.28 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 29.22 1jyn h TRP 806 CO 0.49 0.30 0.28 -0.24 -3.56 0.00 0.00 178.44 175.71 1jyn h VAL 807 N 0.65 1.07 -0.00 1.49 3.04 -1.33 -0.74 116.25 120.42 1jyn h VAL 807 Ca 0.30 -0.17 -0.20 0.00 -1.01 0.00 0.00 66.70 65.62 1jyn h VAL 807 Cb 0.21 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 1jyn h VAL 807 CO -0.19 0.09 -0.87 -0.33 -1.01 0.00 0.00 177.57 175.25 1jyn h GLU 808 N 0.50 0.26 -0.37 4.17 4.39 -1.53 0.92 114.58 122.91 1jyn h GLU 808 Ca 0.16 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1jyn h GLU 808 Cb 0.03 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1jyn h GLU 808 CO -0.04 0.98 0.14 0.00 -1.16 0.00 0.00 179.01 178.93 1jyn h ARG 809 N 0.15 0.56 -0.32 2.33 3.08 -0.73 -0.67 114.38 118.77 1jyn h ARG 809 Ca -0.05 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 1jyn h ARG 809 Cb 1.50 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 1jyn h ARG 809 CO 0.14 0.55 -0.01 -1.49 -1.07 0.00 0.00 179.97 178.09 1jyn h TRP 810 N 0.45 0.63 0.17 3.04 6.55 -0.97 -1.38 115.95 124.43 1jyn h TRP 810 Ca 0.12 -0.11 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 1jyn h TRP 810 Cb 0.21 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 1jyn h TRP 810 CO 0.00 0.70 -0.08 0.87 -1.05 0.00 0.00 178.44 178.88 1jyn h LYS 811 N 0.37 -0.22 -0.47 0.49 1.57 -0.75 -0.77 116.57 116.80 1jyn h LYS 811 Ca 0.09 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1jyn h LYS 811 Cb 0.46 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1jyn h LYS 811 CO 0.02 -0.15 0.32 0.00 -0.57 0.00 0.00 179.45 179.07 1jyn h ALA 812 N 0.60 2.03 -0.00 3.86 0.00 -1.05 0.53 119.26 125.23 1jyn h ALA 812 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jyn h ALA 812 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jyn h ALA 812 CO 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 179.25 179.10 1jyn n ALA 813 N -2.53 2.49 -0.51 0.00 0.00 -0.53 -4.91 120.51 114.52 1jyn n ALA 813 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jyn n ALA 813 Cb 0.31 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1jyn n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyn n GLY 814 N 1.49 0.74 0.37 0.00 0.00 0.18 -4.86 105.19 103.11 1jyn n GLY 814 Ca 0.07 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1jyn n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jyn h HIS 815 N 0.00 1.05 -0.00 1.61 3.86 -1.33 0.29 115.15 120.62 1jyn h HIS 815 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1jyn h HIS 815 Cb 0.00 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.13 1jyn h HIS 815 CO 0.00 0.46 -0.19 0.66 0.86 0.00 0.00 177.93 179.72 1jyn n TYR 816 N -4.56 0.00 0.35 2.45 4.01 -1.26 -3.86 117.16 114.29 1jyn n TYR 816 Ca 0.17 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.95 1jyn n TYR 816 Cb 0.32 -0.32 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 1jyn n TYR 816 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1jyn n GLN 817 N -1.32 2.99 -1.71 -0.72 1.13 -0.29 -5.03 117.38 112.44 1jyn n GLN 817 Ca 0.09 -0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.70 1jyn n GLN 817 Cb 0.32 -1.02 -0.01 0.00 0.11 0.00 0.00 30.24 29.63 1jyn n GLN 817 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jyn n ALA 818 N -1.37 1.55 -2.37 -1.58 0.00 0.85 -5.01 120.51 112.59 1jyn n ALA 818 Ca 0.01 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 1jyn n ALA 818 Cb 0.18 -2.31 -0.15 0.00 0.00 0.00 0.00 19.45 17.18 1jyn n ALA 818 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jyn s GLU 819 N -1.46 1.99 0.05 0.00 2.02 -1.20 -4.89 118.70 115.21 1jyn s GLU 819 Ca 0.59 -1.01 -0.30 0.00 0.02 0.00 0.00 54.97 54.27 1jyn s GLU 819 Cb -0.56 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 31.52 1jyn s GLU 819 CO 0.58 0.54 1.69 0.00 0.02 0.00 0.00 175.26 178.09 1jyn s ALA 820 N -0.77 3.67 -0.17 5.21 0.00 -1.26 -3.28 121.76 125.16 1jyn s ALA 820 Ca 0.12 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 1jyn s ALA 820 Cb -0.10 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 1jyn s ALA 820 CO 0.02 -1.20 -0.05 0.00 0.00 0.00 0.00 175.76 174.52 1jyn s ALA 821 N 3.05 2.89 0.22 0.00 0.00 0.15 -4.94 121.76 123.12 1jyn s ALA 821 Ca 0.75 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1jyn s ALA 821 Cb -0.39 -1.53 -0.08 0.00 0.00 0.00 0.00 23.12 21.11 1jyn s ALA 821 CO 0.33 0.06 1.02 -1.17 0.00 0.00 0.00 175.76 176.00 1jyn s LEU 822 N 0.64 4.57 -0.11 0.00 2.96 -1.26 -1.52 118.68 123.95 1jyn s LEU 822 Ca -0.03 2.04 0.04 0.00 -0.22 0.00 0.00 54.13 55.95 1jyn s LEU 822 Cb -0.15 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 42.84 1jyn s LEU 822 CO 0.02 -0.03 -0.05 0.18 -1.32 0.00 0.00 176.35 175.15 1jyn n LEU 823 N 1.82 1.79 -3.63 -0.68 4.77 0.16 -4.92 117.00 116.31 1jyn n LEU 823 Ca -0.00 -0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.79 1jyn n LEU 823 Cb 0.47 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 1jyn n LEU 823 CO 0.52 0.52 0.36 -1.58 -1.33 0.00 0.00 177.39 175.88 1jyn s GLN 824 N -2.24 0.83 -0.28 3.23 0.74 -0.91 -4.91 119.66 116.12 1jyn s GLN 824 Ca -0.12 0.76 -0.00 0.00 0.05 0.00 0.00 55.36 56.05 1jyn s GLN 824 Cb 0.04 0.40 0.14 0.00 1.10 0.00 0.00 33.01 34.68 1jyn s GLN 824 CO 0.32 -0.14 0.32 0.00 -0.55 0.00 0.00 175.29 175.24 1jyn s THR 826 N 2.41 1.87 -0.01 0.00 -4.23 0.23 -4.95 115.64 110.95 1jyn s THR 826 Ca 0.09 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 1jyn s THR 826 Cb -0.14 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1jyn s THR 826 CO -0.30 -0.24 -0.04 0.00 -0.54 0.00 0.00 174.62 173.49 1jyn s ALA 827 N -2.86 0.40 0.04 3.99 0.00 -1.26 -0.91 121.76 121.16 1jyn s ALA 827 Ca 0.31 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1jyn s ALA 827 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1jyn s ALA 827 CO 0.14 0.07 -0.06 -0.51 0.00 0.00 0.00 175.76 175.41 1jyn s ASP 828 N 0.05 0.65 -0.15 0.00 1.01 -0.15 -4.98 116.67 113.10 1jyn s ASP 828 Ca -0.00 -0.59 -0.06 0.00 0.71 0.00 0.00 52.55 52.62 1jyn s ASP 828 Cb -0.04 0.07 -0.04 0.00 1.01 0.00 0.00 42.92 43.93 1jyn s ASP 828 CO -0.00 -0.27 0.04 0.42 0.21 0.00 0.00 175.17 175.56 1jyn s THR 829 N -1.69 4.62 0.55 -1.27 -4.23 -1.26 0.47 115.64 112.82 1jyn s THR 829 Ca -0.10 -0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.35 1jyn s THR 829 Cb -0.08 -3.04 0.04 0.00 1.34 0.00 0.00 72.50 70.76 1jyn s THR 829 CO -0.01 0.52 0.33 -0.76 -0.54 0.00 0.00 174.62 174.15 1jyn s LEU 830 N -0.07 2.54 0.24 4.79 1.43 0.20 -4.93 118.68 122.88 1jyn s LEU 830 Ca 0.06 -1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 51.70 1jyn s LEU 830 Cb -0.12 -1.03 0.41 0.00 0.03 0.00 0.00 46.19 45.48 1jyn s LEU 830 CO 0.01 -1.11 1.64 0.00 0.23 0.00 0.00 176.35 177.12 1jyn h ALA 831 N 0.82 0.76 0.00 4.21 0.00 -2.03 -3.11 119.26 119.92 1jyn h ALA 831 Ca -0.38 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jyn h ALA 831 Cb 1.31 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1jyn h ALA 831 CO 0.60 -0.42 -0.21 -0.40 0.00 0.00 0.00 179.25 178.83 1jyn n ASP 832 N -5.33 1.57 -3.72 0.00 5.75 -1.26 -5.05 116.55 108.51 1jyn n ASP 832 Ca 0.13 -2.78 -0.05 0.00 -0.01 0.00 0.00 54.79 52.08 1jyn n ASP 832 Cb 0.45 -0.36 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1jyn n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jyn s ALA 833 N -1.95 -1.41 0.03 2.12 0.00 -1.18 -2.93 121.76 116.45 1jyn s ALA 833 Ca 0.23 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1jyn s ALA 833 Cb 0.20 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1jyn s ALA 833 CO 0.01 -1.04 -0.21 0.08 0.00 0.00 0.00 175.76 174.60 1jyn s VAL 834 N -3.40 2.54 -0.15 0.00 1.01 -0.58 0.58 120.40 120.40 1jyn s VAL 834 Ca 0.13 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1jyn s VAL 834 Cb -0.04 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1jyn s VAL 834 CO 0.05 0.38 -0.17 -0.22 0.00 0.00 0.00 175.10 175.14 1jyn s LEU 835 N -1.27 1.88 -0.17 3.92 2.96 0.18 -1.25 118.68 124.92 1jyn s LEU 835 Ca 0.13 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 1jyn s LEU 835 Cb -0.10 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1jyn s LEU 835 CO 0.03 -0.01 0.03 -0.63 -1.32 0.00 0.00 176.35 174.45 1jyn s ILE 836 N 1.29 4.53 -0.09 6.68 -1.09 -0.22 -0.98 121.20 131.32 1jyn s ILE 836 Ca 0.02 -0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 1jyn s ILE 836 Cb -0.13 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.71 1jyn s ILE 836 CO -0.09 0.48 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.04 1jyn s THR 837 N 0.29 2.79 0.06 2.92 2.01 -0.08 -0.75 115.64 122.87 1jyn s THR 837 Ca 0.02 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1jyn s THR 837 Cb -0.13 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1jyn s THR 837 CO 0.01 0.56 -0.06 0.42 -0.69 0.00 0.00 174.62 174.85 1jyn s THR 838 N -0.10 0.53 -0.03 -0.82 -4.23 0.25 -0.61 115.64 110.63 1jyn s THR 838 Ca -0.03 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1jyn s THR 838 Cb -0.14 -1.13 0.02 0.00 1.34 0.00 0.00 72.50 72.59 1jyn s THR 838 CO 0.04 -0.67 0.06 0.00 -0.54 0.00 0.00 174.62 173.51 1jyn s ALA 839 N -2.62 -0.07 0.07 3.99 0.00 0.09 -1.59 121.76 121.63 1jyn s ALA 839 Ca 0.01 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.36 1jyn s ALA 839 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1jyn s ALA 839 CO -0.03 -0.10 -0.12 -1.01 0.00 0.00 0.00 175.76 174.51 1jyn s HIS 840 N 0.78 1.03 0.03 0.00 3.76 -0.26 -0.66 115.29 119.96 1jyn s HIS 840 Ca -0.06 -0.49 0.09 0.00 -0.15 0.00 0.00 55.06 54.44 1jyn s HIS 840 Cb -0.09 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.99 1jyn s HIS 840 CO -0.03 0.01 -0.26 0.00 -0.85 0.00 0.00 174.74 173.61 1jyn s ALA 841 N -1.44 2.17 -0.19 -1.40 0.00 -0.57 -0.89 121.76 119.45 1jyn s ALA 841 Ca -0.04 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 1jyn s ALA 841 Cb -0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1jyn s ALA 841 CO 0.01 0.52 -0.05 -1.58 0.00 0.00 0.00 175.76 174.66 1jyn s TRP 842 N -0.74 2.96 0.15 0.00 0.51 0.81 0.33 118.94 122.95 1jyn s TRP 842 Ca 0.11 -0.66 0.05 0.00 -2.12 0.00 0.00 56.10 53.47 1jyn s TRP 842 Cb -0.10 -2.02 -0.04 0.00 -0.81 0.00 0.00 33.47 30.50 1jyn s TRP 842 CO 0.01 -0.33 -0.11 -0.65 -0.51 0.00 0.00 176.95 175.37 1jyn s GLN 843 N 0.96 1.09 -0.16 4.98 -0.21 -1.20 0.54 119.66 125.65 1jyn s GLN 843 Ca -0.00 -1.46 -0.08 0.00 0.02 0.00 0.00 55.36 53.85 1jyn s GLN 843 Cb -0.15 -0.70 0.06 0.00 1.00 0.00 0.00 33.01 33.23 1jyn s GLN 843 CO 0.01 0.09 0.37 -1.58 -2.12 0.00 0.00 175.29 172.06 1jyn s HIS 844 N -3.22 -0.57 -1.64 0.91 2.46 0.03 -3.25 115.29 110.02 1jyn s HIS 844 Ca 0.17 1.21 -0.12 0.00 0.47 0.00 0.00 55.06 56.80 1jyn s HIS 844 Cb 0.02 0.21 0.10 0.00 -0.13 0.00 0.00 32.58 32.78 1jyn s HIS 844 CO 0.01 -0.35 0.52 1.04 -2.47 0.00 0.00 174.74 173.49 1jyn n GLN 845 N 4.57 -2.36 -0.97 2.88 1.13 -1.26 0.51 117.38 121.89 1jyn n GLN 845 Ca -0.19 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1jyn n GLN 845 Cb 0.53 -4.61 0.00 0.00 0.11 0.00 0.00 30.24 26.27 1jyn n GLN 845 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jyn n GLY 846 N -1.71 0.48 3.67 1.08 0.00 -1.26 -5.02 105.19 102.44 1jyn n GLY 846 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1jyn n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jyn s LYS 847 N -0.41 2.90 -0.26 1.61 2.20 0.18 -5.06 119.74 120.90 1jyn s LYS 847 Ca 0.00 -0.48 -0.26 0.00 -0.36 0.00 0.00 55.97 54.86 1jyn s LYS 847 Cb 0.00 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1jyn s LYS 847 CO 0.00 0.68 0.92 0.99 -0.36 0.00 0.00 175.35 177.57 1jyn s THR 848 N -0.94 4.73 -0.16 3.43 2.01 -1.26 -0.79 115.64 122.66 1jyn s THR 848 Ca 0.15 1.65 -0.15 0.00 0.31 0.00 0.00 61.69 63.65 1jyn s THR 848 Cb -0.11 -4.22 -0.23 0.00 0.01 0.00 0.00 72.50 67.95 1jyn s THR 848 CO 0.05 -0.20 0.30 -0.07 -0.69 0.00 0.00 174.62 174.01 1jyn h LEU 849 N 9.45 0.20 -8.06 4.42 3.38 -0.26 -3.42 115.31 121.02 1jyn h LEU 849 Ca -0.22 -0.72 -0.19 0.00 0.09 0.00 0.00 57.88 56.84 1jyn h LEU 849 Cb 1.08 -0.07 -0.20 0.00 0.09 0.00 0.00 40.66 41.56 1jyn h LEU 849 CO 0.93 1.66 -0.71 -0.36 0.09 0.00 0.00 178.44 180.05 1jyn s PHE 850 N -2.45 0.41 -0.07 1.13 0.08 -1.07 -1.68 117.98 114.33 1jyn s PHE 850 Ca -0.26 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 56.24 1jyn s PHE 850 Cb 0.06 -0.27 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 1jyn s PHE 850 CO 0.68 -0.18 -0.14 0.42 -0.10 0.00 0.00 175.22 175.90 1jyn s ILE 851 N -1.74 1.24 -0.11 0.64 1.01 -0.10 -0.14 121.20 122.00 1jyn s ILE 851 Ca -0.12 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1jyn s ILE 851 Cb -0.08 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1jyn s ILE 851 CO -0.02 0.38 -0.23 -0.55 0.00 0.00 0.00 174.94 174.52 1jyn s SER 852 N 0.60 3.16 -0.10 3.58 0.15 -0.06 -0.88 113.70 120.14 1jyn s SER 852 Ca -0.15 -0.55 0.03 0.00 0.70 0.00 0.00 55.95 55.98 1jyn s SER 852 Cb -0.16 -1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 62.71 1jyn s SER 852 CO 0.04 0.14 -0.20 -0.13 1.20 0.00 0.00 173.24 174.30 1jyn s ARG 853 N 0.46 3.06 0.10 5.44 0.52 -0.24 -1.11 118.95 127.18 1jyn s ARG 853 Ca -0.16 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.22 1jyn s ARG 853 Cb -0.17 -2.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 1jyn s ARG 853 CO 0.06 0.25 0.08 0.15 0.02 0.00 0.00 175.30 175.86 1jyn s LYS 854 N 0.20 0.82 0.04 3.54 1.02 -0.62 -0.51 119.74 124.23 1jyn s LYS 854 Ca -0.12 -1.23 0.05 0.00 0.02 0.00 0.00 55.97 54.69 1jyn s LYS 854 Cb -0.16 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.39 1jyn s LYS 854 CO 0.07 -0.23 -0.15 0.95 -0.92 0.00 0.00 175.35 175.07 1jyn s THR 855 N -3.95 1.17 -0.14 2.17 -4.23 -0.95 -0.58 115.64 109.12 1jyn s THR 855 Ca 0.13 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1jyn s THR 855 Cb 0.07 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.87 1jyn s THR 855 CO -0.05 0.02 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.59 1jyn s TYR 856 N -0.85 2.22 -0.22 3.99 1.51 0.07 -1.60 117.35 122.47 1jyn s TYR 856 Ca 0.02 -1.22 0.00 0.00 -1.01 0.00 0.00 57.07 54.86 1jyn s TYR 856 Cb -0.08 -1.61 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1jyn s TYR 856 CO 0.01 -0.65 -0.13 0.50 -1.11 0.00 0.00 175.55 174.17 1jyn s ARG 857 N 1.35 2.88 -0.22 -0.62 3.52 0.75 -1.05 118.95 125.55 1jyn s ARG 857 Ca 0.02 -0.93 -0.06 0.00 -0.13 0.00 0.00 55.73 54.64 1jyn s ARG 857 Cb -0.13 -2.78 -0.02 0.00 -1.56 0.00 0.00 34.95 30.45 1jyn s ARG 857 CO -0.09 -0.32 0.02 0.42 -0.81 0.00 0.00 175.30 174.52 1jyn s ILE 858 N 1.29 3.96 0.33 4.11 1.01 -0.38 -0.83 121.20 130.69 1jyn s ILE 858 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1jyn s ILE 858 Cb -0.15 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.52 1jyn s ILE 858 CO -0.08 0.39 0.18 -0.90 0.00 0.00 0.00 174.94 174.53 1jyn n ASP 859 N 4.64 2.27 0.30 3.58 5.68 -1.07 -1.52 116.55 130.44 1jyn n ASP 859 Ca -0.17 -2.21 0.19 0.00 -0.50 0.00 0.00 54.79 52.10 1jyn n ASP 859 Cb 0.51 0.04 1.00 0.00 -1.14 0.00 0.00 41.12 41.53 1jyn n ASP 859 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jyn h GLY 860 N 0.49 0.00 0.80 6.12 0.00 -1.70 0.71 103.07 109.49 1jyn h GLY 860 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1jyn h GLY 860 CO 0.36 0.00 -0.09 -1.14 0.00 0.00 0.00 176.54 175.67 1jyn n SER 861 N -3.26 0.51 0.00 0.19 3.41 -1.26 -4.45 113.62 108.76 1jyn n SER 861 Ca -0.02 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1jyn n SER 861 Cb 0.21 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1jyn n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jyn n GLY 862 N 1.24 0.98 3.79 5.00 0.00 0.25 -5.00 105.19 111.45 1jyn n GLY 862 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1jyn n GLY 862 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jyn s GLN 863 N -0.31 4.42 -0.26 1.61 0.74 -1.26 -4.58 119.66 120.01 1jyn s GLN 863 Ca 0.00 1.03 -0.03 0.00 0.05 0.00 0.00 55.36 56.40 1jyn s GLN 863 Cb 0.00 -3.07 0.02 0.00 1.10 0.00 0.00 33.01 31.06 1jyn s GLN 863 CO 0.00 0.48 -0.01 1.41 -0.55 0.00 0.00 175.29 176.62 1jyn s MET 864 N -1.55 2.93 -0.20 1.67 -2.45 0.19 -2.60 119.30 117.29 1jyn s MET 864 Ca 0.39 -0.93 -0.17 0.00 -1.25 0.00 0.00 55.69 53.73 1jyn s MET 864 Cb -0.20 -3.12 -0.03 0.00 1.25 0.00 0.00 34.83 32.73 1jyn s MET 864 CO 0.23 -0.41 0.47 0.00 1.05 0.00 0.00 175.02 176.36 1jyn s ALA 865 N 1.39 3.55 -0.20 4.11 0.00 -0.01 -0.12 121.76 130.48 1jyn s ALA 865 Ca 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 1jyn s ALA 865 Cb -0.17 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1jyn s ALA 865 CO -0.02 -0.39 -0.06 0.42 0.00 0.00 0.00 175.76 175.71 1jyn s ILE 866 N 1.51 3.34 -0.10 0.00 1.01 0.15 -0.18 121.20 126.94 1jyn s ILE 866 Ca 0.22 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1jyn s ILE 866 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1jyn s ILE 866 CO 0.09 0.45 -0.13 -0.89 0.00 0.00 0.00 174.94 174.47 1jyn s THR 867 N 1.14 3.14 -0.09 2.92 2.01 -0.63 -0.88 115.64 123.26 1jyn s THR 867 Ca 0.02 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1jyn s THR 867 Cb -0.14 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.09 1jyn s THR 867 CO -0.01 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.63 1jyn s VAL 868 N -0.14 1.39 -0.16 3.82 1.01 0.10 -2.24 120.40 124.17 1jyn s VAL 868 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1jyn s VAL 868 Cb -0.13 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1jyn s VAL 868 CO 0.03 0.41 -0.09 -1.81 0.00 0.00 0.00 175.10 173.65 1jyn s ASP 869 N 0.76 2.82 0.05 3.32 1.01 0.33 -0.88 116.67 124.09 1jyn s ASP 869 Ca -0.12 -0.62 0.07 0.00 0.71 0.00 0.00 52.55 52.59 1jyn s ASP 869 Cb -0.16 -1.04 -0.03 0.00 1.01 0.00 0.00 42.92 42.70 1jyn s ASP 869 CO 0.02 -0.13 -0.15 -0.69 0.21 0.00 0.00 175.17 174.43 1jyn s VAL 870 N 1.55 3.04 -0.07 -1.27 1.01 0.83 -1.08 120.40 124.41 1jyn s VAL 870 Ca 0.02 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1jyn s VAL 870 Cb -0.14 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1jyn s VAL 870 CO -0.09 0.28 -0.15 -1.61 0.00 0.00 0.00 175.10 173.54 1jyn s GLU 871 N -1.64 2.76 -0.16 2.72 2.02 -0.06 -1.37 118.70 122.97 1jyn s GLU 871 Ca 0.16 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1jyn s GLU 871 Cb -0.11 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.72 1jyn s GLU 871 CO 0.08 0.48 -0.17 0.08 0.02 0.00 0.00 175.26 175.75 1jyn s VAL 872 N -0.37 1.79 0.31 2.63 1.01 0.27 -0.93 120.40 125.11 1jyn s VAL 872 Ca 0.04 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 1jyn s VAL 872 Cb -0.12 -1.64 -0.13 0.00 0.00 0.00 0.00 36.38 34.48 1jyn s VAL 872 CO 0.02 0.50 1.19 0.00 0.00 0.00 0.00 175.10 176.80 1jyn n ALA 873 N 4.66 0.63 0.24 5.51 0.00 -0.68 -4.65 120.51 126.23 1jyn n ALA 873 Ca -0.19 0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.73 1jyn n ALA 873 Cb 0.50 -2.16 0.63 0.00 0.00 0.00 0.00 19.45 18.42 1jyn n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jyn h SER 874 N 2.49 0.00 -0.39 0.00 4.64 -1.94 -1.92 113.55 116.43 1jyn h SER 874 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1jyn h SER 874 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1jyn h SER 874 CO 0.63 0.17 0.00 -0.90 -0.87 0.00 0.00 176.83 175.86 1jyn n ASP 875 N -3.80 2.73 -4.89 4.97 5.75 -1.26 -4.86 116.55 115.20 1jyn n ASP 875 Ca -0.02 -1.92 -0.31 0.00 -0.01 0.00 0.00 54.79 52.53 1jyn n ASP 875 Cb 0.27 -0.26 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 1jyn n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1jyn s THR 876 N -1.48 5.02 0.36 2.12 -1.32 -0.72 -5.02 115.64 114.59 1jyn s THR 876 Ca 0.36 0.23 -0.28 0.00 -1.21 0.00 0.00 61.69 60.79 1jyn s THR 876 Cb 0.20 -3.66 -0.12 0.00 -1.51 0.00 0.00 72.50 67.41 1jyn s THR 876 CO 0.27 -0.13 1.33 -0.81 -2.21 0.00 0.00 174.62 173.07 1jyn n PRO 877 N -0.34 2.22 -1.71 7.08 -0.04 -1.26 -4.85 135.00 136.09 1jyn n PRO 877 Ca -0.01 0.78 -0.43 0.00 -0.04 0.00 0.00 63.50 63.80 1jyn n PRO 877 Cb 0.53 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 1jyn n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1jyn n HIS 878 N 0.31 2.52 -1.72 0.54 8.25 -1.26 -4.91 115.22 118.95 1jyn n HIS 878 Ca 0.04 0.35 -0.32 0.00 -0.26 0.00 0.00 57.72 57.54 1jyn n HIS 878 Cb 0.37 -2.52 0.04 0.00 1.12 0.00 0.00 29.99 28.99 1jyn n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1jyn s PRO 879 N -0.58 3.02 0.40 -0.41 0.04 -1.26 -4.87 135.00 131.35 1jyn s PRO 879 Ca 0.65 1.06 0.15 0.00 0.04 0.00 0.00 61.00 62.90 1jyn s PRO 879 Cb -0.57 -2.00 0.83 0.00 0.04 0.00 0.00 34.50 32.80 1jyn s PRO 879 CO 0.50 -1.04 1.86 0.00 0.04 0.00 0.00 177.00 178.36 1jyn h ALA 880 N -0.34 1.35 -2.71 8.56 0.00 -1.90 -3.41 119.26 120.82 1jyn h ALA 880 Ca -0.45 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.27 1jyn h ALA 880 Cb 1.21 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1jyn h ALA 880 CO 0.57 0.41 0.36 -0.98 0.00 0.00 0.00 179.25 179.61 1jyn s ARG 881 N -4.16 1.57 -0.29 0.00 1.70 -1.22 -0.36 118.95 116.20 1jyn s ARG 881 Ca -0.03 -0.90 -0.03 0.00 -0.47 0.00 0.00 55.73 54.31 1jyn s ARG 881 Cb 0.14 0.51 0.11 0.00 -0.57 0.00 0.00 34.95 35.15 1jyn s ARG 881 CO 0.70 -0.73 0.20 0.42 -1.08 0.00 0.00 175.30 174.81 1jyn s ILE 882 N -3.35 -0.20 0.00 4.99 1.01 -0.37 -4.25 121.20 119.03 1jyn s ILE 882 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1jyn s ILE 882 Cb -0.04 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1jyn s ILE 882 CO 0.06 -0.63 0.00 0.61 0.00 0.00 0.00 174.94 174.98 1jyn n GLY 883 N 5.27 2.90 3.30 6.18 0.00 -0.82 -0.22 105.19 121.80 1jyn n GLY 883 Ca -0.04 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 1jyn n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyn s LEU 884 N 0.00 2.53 0.07 0.99 1.43 0.29 -0.33 118.68 123.66 1jyn s LEU 884 Ca 0.00 -0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 52.01 1jyn s LEU 884 Cb 0.00 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.66 1jyn s LEU 884 CO 0.00 -0.21 0.23 0.54 0.23 0.00 0.00 176.35 177.14 1jyn s ASN 885 N -3.15 0.03 0.16 2.29 4.22 0.92 -1.37 114.94 118.04 1jyn s ASN 885 Ca 0.19 -0.48 -0.22 0.00 -2.14 0.00 0.00 52.86 50.21 1jyn s ASN 885 Cb -0.00 0.34 0.06 0.00 1.28 0.00 0.00 41.25 42.93 1jyn s ASN 885 CO 0.04 -0.68 0.58 0.00 -2.04 0.00 0.00 177.10 175.00 1jyn s GLN 887 N -3.77 2.70 0.51 0.00 0.74 -1.24 -0.93 119.66 117.68 1jyn s GLN 887 Ca 0.02 -1.19 -0.20 0.00 0.05 0.00 0.00 55.36 54.03 1jyn s GLN 887 Cb -0.01 -3.65 -0.07 0.00 1.10 0.00 0.00 33.01 30.38 1jyn s GLN 887 CO -0.12 -0.74 1.11 -0.51 -0.55 0.00 0.00 175.29 174.48 1jyn s LEU 888 N 1.48 3.83 0.21 3.68 1.43 0.98 0.65 118.68 130.94 1jyn s LEU 888 Ca 0.01 2.15 0.11 0.00 -1.03 0.00 0.00 54.13 55.37 1jyn s LEU 888 Cb -0.20 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 1jyn s LEU 888 CO 0.04 -1.05 1.37 0.00 0.23 0.00 0.00 176.35 176.95 1jyn h ALA 889 N 1.48 0.53 -1.85 4.21 0.00 -0.12 -2.14 119.26 121.36 1jyn h ALA 889 Ca -0.50 -0.67 -0.49 0.00 0.00 0.00 0.00 54.91 53.25 1jyn h ALA 889 Cb 1.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1jyn h ALA 889 CO 0.58 0.92 -0.44 -0.65 0.00 0.00 0.00 179.25 179.66 1jyn s GLN 890 N -2.86 2.77 -0.05 0.00 1.11 -1.26 -4.21 119.66 115.16 1jyn s GLN 890 Ca 0.02 -1.26 0.04 0.00 0.01 0.00 0.00 55.36 54.17 1jyn s GLN 890 Cb 0.09 -2.51 -0.02 0.00 -1.01 0.00 0.00 33.01 29.55 1jyn s GLN 890 CO 0.78 0.10 -0.16 0.08 0.01 0.00 0.00 175.29 176.10 1jyn s VAL 891 N -2.29 2.88 0.18 1.09 1.01 -1.26 -3.70 120.40 118.31 1jyn s VAL 891 Ca 0.41 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1jyn s VAL 891 Cb -0.06 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1jyn s VAL 891 CO 0.27 0.58 -0.16 0.00 0.00 0.00 0.00 175.10 175.79 1jyn s ALA 892 N -0.60 1.98 0.11 5.51 0.00 -1.26 -5.03 121.76 122.48 1jyn s ALA 892 Ca 0.09 -1.56 -0.14 0.00 0.00 0.00 0.00 51.96 50.35 1jyn s ALA 892 Cb -0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 1jyn s ALA 892 CO 0.01 0.15 1.43 0.93 0.00 0.00 0.00 175.76 178.28 1jyn h GLU 893 N 2.94 0.77 -6.08 0.00 4.39 -2.00 -3.43 114.58 111.18 1jyn h GLU 893 Ca -0.40 -0.41 -0.61 0.00 0.34 0.00 0.00 59.36 58.28 1jyn h GLU 893 Cb 1.21 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 29.74 1jyn h GLU 893 CO 0.56 1.03 -0.71 1.03 -1.16 0.00 0.00 179.01 179.76 1jyn s ARG 894 N -4.37 1.79 -0.09 2.33 1.81 -1.26 -1.56 118.95 117.59 1jyn s ARG 894 Ca -0.12 -1.83 0.01 0.00 -1.72 0.00 0.00 55.73 52.07 1jyn s ARG 894 Cb 0.09 -1.77 0.02 0.00 -0.45 0.00 0.00 34.95 32.85 1jyn s ARG 894 CO 0.84 0.24 -0.12 0.08 -0.68 0.00 0.00 175.30 175.67 1jyn s VAL 895 N -2.55 1.20 -0.07 3.52 1.01 0.14 -4.55 120.40 119.10 1jyn s VAL 895 Ca 0.31 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1jyn s VAL 895 Cb -0.01 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1jyn s VAL 895 CO 0.16 0.38 -0.14 0.21 0.00 0.00 0.00 175.10 175.71 1jyn s ASN 896 N 1.09 2.04 0.08 3.32 3.84 -0.95 -1.20 114.94 123.16 1jyn s ASN 896 Ca -0.06 -0.35 -0.08 0.00 0.21 0.00 0.00 52.86 52.58 1jyn s ASN 896 Cb -0.14 -0.94 -0.00 0.00 -0.55 0.00 0.00 41.25 39.61 1jyn s ASN 896 CO -0.02 0.05 0.18 -1.66 -2.79 0.00 0.00 177.10 172.86 1jyn s TRP 897 N 0.63 0.17 -0.38 0.43 -2.14 -0.39 0.45 118.94 117.71 1jyn s TRP 897 Ca -0.15 -0.59 -0.04 0.00 2.66 0.00 0.00 56.10 57.98 1jyn s TRP 897 Cb -0.16 -0.08 0.08 0.00 -3.10 0.00 0.00 33.47 30.22 1jyn s TRP 897 CO 0.04 -0.53 0.16 -1.17 -2.66 0.00 0.00 176.95 172.79 1jyn s LEU 898 N -2.82 4.84 0.00 -4.66 2.96 0.64 -0.08 118.68 119.55 1jyn s LEU 898 Ca 0.04 -1.68 0.00 0.00 -0.22 0.00 0.00 54.13 52.27 1jyn s LEU 898 Cb 0.05 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1jyn s LEU 898 CO -0.11 -0.46 0.00 0.61 -1.32 0.00 0.00 176.35 175.08 1jyn n GLY 899 N 4.68 -0.60 3.75 7.98 0.00 -0.46 -0.16 105.19 120.39 1jyn n GLY 899 Ca -0.07 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1jyn n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyn s LEU 900 N 0.00 4.56 0.00 0.99 1.43 -0.93 -1.84 118.68 122.89 1jyn s LEU 900 Ca 0.00 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1jyn s LEU 900 Cb 0.00 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1jyn s LEU 900 CO 0.00 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1jyn n GLY 901 N 1.87 -0.55 0.20 -3.19 0.00 -0.19 -4.41 105.19 98.91 1jyn n GLY 901 Ca -0.03 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.39 1jyn n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jyn h PRO 902 N 0.00 0.00 -7.41 1.61 0.13 -1.94 -0.22 132.00 124.18 1jyn h PRO 902 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1jyn h PRO 902 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1jyn h PRO 902 CO 0.00 0.07 0.37 -0.65 -0.23 0.00 0.00 178.00 177.56 1jyn s GLN 903 N -3.19 2.83 0.19 0.86 -0.21 -1.26 -4.99 119.66 113.89 1jyn s GLN 903 Ca 0.06 0.35 -0.32 0.00 0.02 0.00 0.00 55.36 55.47 1jyn s GLN 903 Cb 0.06 -2.07 -0.16 0.00 1.00 0.00 0.00 33.01 31.84 1jyn s GLN 903 CO 0.69 -0.99 1.03 -1.91 -2.12 0.00 0.00 175.29 172.00 1jyn n GLU 904 N -2.94 0.96 -3.74 2.91 2.13 -1.26 -4.87 120.64 113.83 1jyn n GLU 904 Ca 0.06 0.34 -0.14 0.00 0.66 0.00 0.00 57.16 58.09 1jyn n GLU 904 Cb 0.57 -1.74 -0.09 0.00 0.27 0.00 0.00 31.44 30.46 1jyn n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1jyn s ASN 905 N -0.26 -0.26 0.31 4.31 2.20 0.16 -4.93 114.94 116.47 1jyn s ASN 905 Ca 0.70 0.25 0.04 0.00 -0.94 0.00 0.00 52.86 52.91 1jyn s ASN 905 Cb -0.86 0.41 -0.06 0.00 -2.00 0.00 0.00 41.25 38.73 1jyn s ASN 905 CO 0.55 -0.40 0.03 -0.31 -2.94 0.00 0.00 177.10 174.03 1jyn s TYR 906 N -1.05 1.96 0.29 1.54 1.51 -0.90 -3.78 117.35 116.92 1jyn s TYR 906 Ca -0.11 -0.90 0.03 0.00 -1.01 0.00 0.00 57.07 55.08 1jyn s TYR 906 Cb -0.04 -1.25 0.62 0.00 -0.11 0.00 0.00 41.96 41.17 1jyn s TYR 906 CO 0.04 0.07 1.83 -1.35 -1.11 0.00 0.00 175.55 175.02 1jyn h PRO 907 N 2.15 0.89 -0.46 -1.71 0.11 -1.85 0.79 132.00 131.92 1jyn h PRO 907 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jyn h PRO 907 Cb 1.24 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1jyn h PRO 907 CO 0.69 0.59 0.00 -0.40 -0.21 0.00 0.00 178.00 178.67 1jyn n ASP 908 N -4.64 2.95 -2.99 -2.05 5.75 -1.26 -4.37 116.55 109.94 1jyn n ASP 908 Ca 0.20 -1.95 -0.16 0.00 -0.01 0.00 0.00 54.79 52.87 1jyn n ASP 908 Cb 0.42 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1jyn n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1jyn n ARG 909 N 1.13 0.87 -0.17 0.11 0.63 0.24 -0.60 116.66 118.87 1jyn n ARG 909 Ca 0.19 -2.66 0.01 0.00 -0.92 0.00 0.00 57.85 54.46 1jyn n ARG 909 Cb 0.49 -1.37 0.01 0.00 0.45 0.00 0.00 32.46 32.04 1jyn n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1jyn n LEU 910 N 0.89 0.36 -0.14 6.15 -0.00 -1.00 -2.13 117.00 121.14 1jyn n LEU 910 Ca 0.16 -0.73 -0.06 0.00 -0.00 0.00 0.00 56.01 55.38 1jyn n LEU 910 Cb 0.63 -0.03 0.11 0.00 -0.00 0.00 0.00 43.42 44.13 1jyn n LEU 910 CO 0.13 0.18 0.83 0.71 -0.00 0.00 0.00 177.39 179.24 1jyn h THR 911 N 3.78 1.26 0.00 1.47 1.35 -1.90 -2.73 112.91 116.14 1jyn h THR 911 Ca 0.00 -1.11 -0.06 0.00 -0.55 0.00 0.00 66.41 64.70 1jyn h THR 911 Cb 1.08 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1jyn h THR 911 CO 0.00 0.39 -0.27 0.00 -0.25 0.00 0.00 175.52 175.39 1jyn h ALA 912 N 1.15 1.17 -2.85 6.62 0.00 -1.87 -3.45 119.26 120.01 1jyn h ALA 912 Ca 0.15 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.29 1jyn h ALA 912 Cb 0.53 -0.04 0.09 0.00 0.00 0.00 0.00 17.79 18.37 1jyn h ALA 912 CO 0.03 0.34 0.56 0.00 0.00 0.00 0.00 179.25 180.18 1jyn s ALA 913 N -3.92 3.00 0.09 0.00 0.00 -1.03 -5.00 121.76 114.90 1jyn s ALA 913 Ca -0.01 1.15 0.08 0.00 0.00 0.00 0.00 51.96 53.18 1jyn s ALA 913 Cb 0.12 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1jyn s ALA 913 CO 0.65 -0.95 -0.17 0.00 0.00 0.00 0.00 175.76 175.29 1jyn s PHE 915 N -1.08 3.47 0.00 0.00 5.36 -1.26 -1.02 117.98 123.45 1jyn s PHE 915 Ca 0.17 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.29 1jyn s PHE 915 Cb -0.11 -2.86 0.00 0.00 -0.34 0.00 0.00 43.02 39.71 1jyn s PHE 915 CO 0.09 -0.09 0.00 -3.47 -1.46 0.00 0.00 175.22 170.29 1jyn n ASP 916 N 4.61 0.00 -4.41 6.13 -0.08 -0.76 -4.93 116.55 117.10 1jyn n ASP 916 Ca 0.00 -0.45 -0.38 0.00 -1.51 0.00 0.00 54.79 52.45 1jyn n ASP 916 Cb 0.50 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.84 1jyn n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1jyn s ARG 917 N -0.36 3.35 0.21 -0.67 6.06 -1.26 -1.36 118.95 124.92 1jyn s ARG 917 Ca 0.00 -0.70 0.09 0.00 -2.50 0.00 0.00 55.73 52.62 1jyn s ARG 917 Cb 0.00 -3.44 -0.04 0.00 0.06 0.00 0.00 34.95 31.52 1jyn s ARG 917 CO 0.00 -0.36 -0.06 -1.58 -2.50 0.00 0.00 175.30 170.79 1jyn s TRP 918 N 1.58 2.66 -0.18 5.12 0.52 0.89 -4.96 118.94 124.56 1jyn s TRP 918 Ca 0.04 -0.22 -0.05 0.00 0.02 0.00 0.00 56.10 55.90 1jyn s TRP 918 Cb -0.17 -1.25 0.09 0.00 -1.15 0.00 0.00 33.47 30.99 1jyn s TRP 918 CO 0.04 0.56 0.34 0.34 0.02 0.00 0.00 176.95 178.25 1jyn s ASP 919 N -3.14 0.23 0.14 2.95 -1.08 -1.26 -1.26 116.67 113.25 1jyn s ASP 919 Ca 0.27 0.56 0.03 0.00 -0.52 0.00 0.00 52.55 52.90 1jyn s ASP 919 Cb -0.08 0.97 -0.04 0.00 -1.46 0.00 0.00 42.92 42.31 1jyn s ASP 919 CO 0.17 -0.26 -0.07 -0.76 0.52 0.00 0.00 175.17 174.77 1jyn s LEU 920 N 2.50 2.46 0.51 -1.34 1.43 -0.34 -4.96 118.68 118.95 1jyn s LEU 920 Ca 0.03 -1.04 -0.22 0.00 -1.03 0.00 0.00 54.13 51.88 1jyn s LEU 920 Cb -0.13 -0.23 -0.06 0.00 0.03 0.00 0.00 46.19 45.80 1jyn s LEU 920 CO -0.12 -0.41 1.24 -2.16 0.23 0.00 0.00 176.35 175.14 1jyn s PRO 921 N -3.80 3.40 0.25 1.29 0.04 -1.26 0.28 135.00 135.20 1jyn s PRO 921 Ca 0.17 1.95 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 1jyn s PRO 921 Cb 0.04 -2.27 0.48 0.00 0.04 0.00 0.00 34.50 32.79 1jyn s PRO 921 CO -0.00 -0.89 1.70 1.25 0.04 0.00 0.00 177.00 179.09 1jyn h LEU 922 N 1.64 0.13 -2.08 -3.56 5.85 -1.55 -1.26 115.31 114.47 1jyn h LEU 922 Ca -0.50 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1jyn h LEU 922 Cb 1.27 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1jyn h LEU 922 CO 0.58 0.01 0.17 0.77 -0.34 0.00 0.00 178.44 179.63 1jyn h SER 923 N 0.34 0.00 0.41 1.25 4.64 -1.91 0.12 113.55 118.39 1jyn h SER 923 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1jyn h SER 923 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1jyn h SER 923 CO -0.48 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 175.95 1jyn n ASP 924 N -4.27 0.32 -0.50 4.97 8.00 -0.48 -2.02 116.55 122.57 1jyn n ASP 924 Ca 0.02 0.60 0.08 0.00 0.71 0.00 0.00 54.79 56.20 1jyn n ASP 924 Cb 0.31 -0.66 0.27 0.00 -0.02 0.00 0.00 41.12 41.02 1jyn n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1jyn n MET 925 N -1.87 1.64 -4.81 -1.24 2.81 0.41 -4.74 117.12 109.32 1jyn n MET 925 Ca 0.02 -0.98 -0.25 0.00 -1.81 0.00 0.00 57.70 54.67 1jyn n MET 925 Cb 0.14 -1.30 -0.16 0.00 -0.71 0.00 0.00 33.22 31.19 1jyn n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1jyn s TYR 926 N -1.72 1.63 -0.28 2.03 5.04 -0.85 -4.48 117.35 118.72 1jyn s TYR 926 Ca 0.26 -0.42 -0.08 0.00 -2.44 0.00 0.00 57.07 54.39 1jyn s TYR 926 Cb 0.13 -1.09 -0.01 0.00 0.35 0.00 0.00 41.96 41.34 1jyn s TYR 926 CO 0.20 -0.12 0.10 0.99 -1.34 0.00 0.00 175.55 175.37 1jyn s THR 927 N -0.08 4.34 -1.42 4.34 2.01 -1.26 -4.98 115.64 118.59 1jyn s THR 927 Ca -0.01 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 1jyn s THR 927 Cb -0.10 -3.13 -0.07 0.00 0.01 0.00 0.00 72.50 69.21 1jyn s THR 927 CO 0.01 0.20 2.67 -0.81 -0.69 0.00 0.00 174.62 176.00 1jyn n PRO 928 N 4.93 3.18 -1.81 4.92 -0.04 -1.26 -4.89 135.00 140.03 1jyn n PRO 928 Ca -0.15 -2.05 -0.41 0.00 -0.04 0.00 0.00 63.50 60.84 1jyn n PRO 928 Cb 0.50 -2.77 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 1jyn n PRO 928 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jyn s TYR 929 N 2.64 2.65 0.22 0.54 2.02 -1.26 -4.87 117.35 119.29 1jyn s TYR 929 Ca 0.60 1.08 -0.09 0.00 -0.37 0.00 0.00 57.07 58.30 1jyn s TYR 929 Cb 0.16 -4.02 0.24 0.00 -0.40 0.00 0.00 41.96 37.94 1jyn s TYR 929 CO -0.05 -3.09 1.84 0.28 -1.57 0.00 0.00 175.55 172.96 1jyn h VAL 930 N 3.09 1.04 -3.30 0.71 2.07 -1.96 -3.28 116.25 114.61 1jyn h VAL 930 Ca -0.50 -0.28 -0.68 0.00 0.82 0.00 0.00 66.70 66.06 1jyn h VAL 930 Cb 1.23 0.14 -0.18 0.00 -1.52 0.00 0.00 31.29 30.96 1jyn h VAL 930 CO 0.68 0.15 0.04 0.12 0.02 0.00 0.00 177.57 178.58 1jyn s PHE 931 N -6.10 3.06 0.55 1.57 5.36 -1.26 -0.43 117.98 120.73 1jyn s PHE 931 Ca -0.13 -0.48 -0.20 0.00 -0.96 0.00 0.00 56.93 55.16 1jyn s PHE 931 Cb 0.16 -3.49 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 1jyn s PHE 931 CO 0.77 -1.00 1.21 -2.14 -1.46 0.00 0.00 175.22 172.60 1jyn s PRO 932 N 2.62 3.25 0.14 10.12 0.02 -1.24 -4.95 135.00 144.96 1jyn s PRO 932 Ca 0.16 1.85 -0.09 0.00 0.02 0.00 0.00 61.00 62.93 1jyn s PRO 932 Cb -0.19 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 32.26 1jyn s PRO 932 CO 0.13 -0.99 0.45 -1.13 -0.33 0.00 0.00 177.00 175.12 1jyn n SER 933 N -1.19 -0.97 -4.65 2.53 3.41 -1.26 -4.74 113.62 106.75 1jyn n SER 933 Ca 0.11 -1.60 -0.45 0.00 -0.26 0.00 0.00 58.87 56.67 1jyn n SER 933 Cb 0.49 1.60 -0.02 0.00 -0.26 0.00 0.00 64.21 66.02 1jyn n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1jyn n GLU 934 N -0.31 1.79 -3.63 4.33 4.07 -0.51 -4.94 120.64 121.44 1jyn n GLU 934 Ca -0.03 0.64 -0.07 0.00 -0.06 0.00 0.00 57.16 57.64 1jyn n GLU 934 Cb 0.29 -2.21 -0.02 0.00 -0.06 0.00 0.00 31.44 29.43 1jyn n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1jyn s ASN 935 N 0.04 -0.33 0.00 4.31 2.20 -1.26 -4.89 114.94 115.00 1jyn s ASN 935 Ca 0.66 -0.24 0.00 0.00 -0.94 0.00 0.00 52.86 52.34 1jyn s ASN 935 Cb -0.68 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.09 1jyn s ASN 935 CO 0.53 -0.91 0.00 0.61 -2.94 0.00 0.00 177.10 174.39 1jyn n GLY 936 N -0.38 0.60 3.72 0.45 0.00 -1.26 -4.81 105.19 103.51 1jyn n GLY 936 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1jyn n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jyn s LEU 937 N 0.00 3.30 -0.05 0.99 2.96 -1.26 -4.57 118.68 120.05 1jyn s LEU 937 Ca 0.00 2.30 0.03 0.00 -0.22 0.00 0.00 54.13 56.24 1jyn s LEU 937 Cb 0.00 -4.58 0.01 0.00 0.50 0.00 0.00 46.19 42.11 1jyn s LEU 937 CO 0.00 -2.23 -0.12 -0.13 -1.32 0.00 0.00 176.35 172.54 1jyn s ARG 938 N -3.98 1.48 0.44 1.98 3.00 -0.36 0.36 118.95 121.87 1jyn s ARG 938 Ca 0.73 -0.42 0.06 0.00 0.00 0.00 0.00 55.73 56.09 1jyn s ARG 938 Cb -0.28 -1.28 0.06 0.00 0.00 0.00 0.00 34.95 33.45 1jyn s ARG 938 CO 0.46 0.11 0.47 0.00 0.00 0.00 0.00 175.30 176.33 1jyn n GLY 940 N -0.37 -0.48 3.76 0.00 0.00 -1.19 -2.19 105.19 104.72 1jyn n GLY 940 Ca 0.05 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1jyn n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyn s THR 941 N -3.19 5.40 -0.13 2.61 2.01 0.25 -3.65 115.64 118.93 1jyn s THR 941 Ca 0.61 0.28 0.16 0.00 0.31 0.00 0.00 61.69 63.04 1jyn s THR 941 Cb -0.31 -3.49 -0.23 0.00 0.01 0.00 0.00 72.50 68.47 1jyn s THR 941 CO 0.75 0.47 0.39 0.54 -0.69 0.00 0.00 174.62 176.08 1jyn n ARG 942 N 3.17 0.71 -3.70 4.92 5.12 0.78 -1.04 116.66 126.63 1jyn n ARG 942 Ca -0.16 -0.12 -0.11 0.00 -1.93 0.00 0.00 57.85 55.53 1jyn n ARG 942 Cb 0.53 -1.35 -0.10 0.00 -1.16 0.00 0.00 32.46 30.38 1jyn n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1jyn s GLU 943 N -2.99 0.49 -0.03 5.56 2.12 -1.15 -1.68 118.70 121.02 1jyn s GLU 943 Ca -0.04 0.79 0.03 0.00 0.36 0.00 0.00 54.97 56.11 1jyn s GLU 943 Cb 0.10 0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.60 1jyn s GLU 943 CO 0.65 -0.12 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.96 1jyn s LEU 944 N 0.98 1.85 -0.05 2.70 2.96 0.21 -0.26 118.68 127.06 1jyn s LEU 944 Ca -0.06 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1jyn s LEU 944 Cb -0.06 -0.66 0.00 0.00 0.50 0.00 0.00 46.19 45.97 1jyn s LEU 944 CO -0.08 0.10 -0.16 0.20 -1.32 0.00 0.00 176.35 175.08 1jyn s ASN 945 N 0.09 2.07 -0.21 3.68 0.01 0.17 -1.13 114.94 119.62 1jyn s ASN 945 Ca -0.02 -0.34 -0.07 0.00 -0.71 0.00 0.00 52.86 51.72 1jyn s ASN 945 Cb -0.09 -0.66 0.10 0.00 0.41 0.00 0.00 41.25 41.01 1jyn s ASN 945 CO 0.01 0.13 0.45 -0.47 -1.51 0.00 0.00 177.10 175.70 1jyn s TYR 946 N 0.17 -0.87 0.00 2.20 5.04 -0.28 -2.25 117.35 121.36 1jyn s TYR 946 Ca -0.06 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1jyn s TYR 946 Cb -0.12 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.55 1jyn s TYR 946 CO 0.03 -0.51 0.00 0.41 -1.34 0.00 0.00 175.55 174.14 1jyn n GLY 947 N 5.40 3.15 0.38 8.97 0.00 -1.26 -1.05 105.19 120.78 1jyn n GLY 947 Ca -0.09 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1jyn n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jyn n PRO 948 N 13.93 1.51 -3.47 1.61 -0.04 -1.26 -4.87 135.00 142.42 1jyn n PRO 948 Ca 0.00 -0.76 -0.34 0.00 -0.04 0.00 0.00 63.50 62.36 1jyn n PRO 948 Cb 0.00 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.96 1jyn n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1jyn s HIS 949 N -1.94 3.54 -0.01 0.54 3.76 -0.21 0.29 115.29 121.25 1jyn s HIS 949 Ca 0.37 0.88 0.01 0.00 -0.15 0.00 0.00 55.06 56.18 1jyn s HIS 949 Cb 0.19 -2.24 0.01 0.00 1.11 0.00 0.00 32.58 31.65 1jyn s HIS 949 CO 0.31 0.42 -0.04 -1.14 -0.85 0.00 0.00 174.74 173.44 1jyn s GLN 950 N -2.21 0.45 -0.08 1.40 0.74 -0.65 -1.13 119.66 118.18 1jyn s GLN 950 Ca 0.39 -0.12 0.04 0.00 0.05 0.00 0.00 55.36 55.71 1jyn s GLN 950 Cb -0.13 -0.47 0.00 0.00 1.10 0.00 0.00 33.01 33.51 1jyn s GLN 950 CO 0.20 0.04 -0.21 -1.58 -0.55 0.00 0.00 175.29 173.19 1jyn s TRP 951 N 0.23 2.23 0.06 1.67 0.51 -0.29 -0.82 118.94 122.53 1jyn s TRP 951 Ca -0.02 -0.85 0.08 0.00 -2.12 0.00 0.00 56.10 53.19 1jyn s TRP 951 Cb -0.06 -1.51 -0.03 0.00 -0.81 0.00 0.00 33.47 31.07 1jyn s TRP 951 CO -0.00 -0.35 -0.22 1.03 -0.51 0.00 0.00 176.95 176.90 1jyn s ARG 952 N 0.34 1.42 0.00 4.98 0.52 0.19 -0.62 118.95 125.78 1jyn s ARG 952 Ca -0.15 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 1jyn s ARG 952 Cb -0.17 -1.61 0.00 0.00 0.52 0.00 0.00 34.95 33.69 1jyn s ARG 952 CO 0.07 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.20 1jyn n GLY 953 N 1.61 -0.63 2.87 -3.53 0.00 -0.68 -0.37 105.19 104.45 1jyn n GLY 953 Ca -0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 1jyn n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jyn s ASP 954 N -4.00 -0.24 0.29 1.61 2.15 -1.24 -4.22 116.67 111.02 1jyn s ASP 954 Ca 0.00 -1.53 0.06 0.00 0.43 0.00 0.00 52.55 51.52 1jyn s ASP 954 Cb 0.00 1.20 -0.02 0.00 -0.30 0.00 0.00 42.92 43.79 1jyn s ASP 954 CO 0.00 -0.17 0.26 2.22 -0.17 0.00 0.00 175.17 177.31 1jyn n PHE 955 N 3.86 -0.76 -4.53 -5.34 1.16 -0.20 -4.89 117.46 106.76 1jyn n PHE 955 Ca 0.15 -2.44 -0.30 0.00 -1.87 0.00 0.00 57.45 52.99 1jyn n PHE 955 Cb 0.52 0.28 -0.13 0.00 -1.61 0.00 0.00 39.48 38.53 1jyn n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1jyn s GLN 956 N -3.15 1.68 0.15 3.97 -1.52 0.03 -0.59 119.66 120.23 1jyn s GLN 956 Ca 0.34 -1.20 -0.12 0.00 -1.95 0.00 0.00 55.36 52.43 1jyn s GLN 956 Cb 0.02 -2.01 0.01 0.00 -0.22 0.00 0.00 33.01 30.80 1jyn s GLN 956 CO 0.24 0.48 0.34 -0.59 -0.25 0.00 0.00 175.29 175.52 1jyn s PHE 957 N -1.00 0.09 0.03 0.91 -0.71 -0.31 0.81 117.98 117.80 1jyn s PHE 957 Ca 0.14 -0.46 -0.04 0.00 -1.04 0.00 0.00 56.93 55.54 1jyn s PHE 957 Cb -0.10 0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 1jyn s PHE 957 CO 0.06 -0.72 0.06 0.54 -1.34 0.00 0.00 175.22 173.82 1jyn s ASN 958 N -2.89 0.20 -0.15 1.98 2.20 -0.57 -1.23 114.94 114.49 1jyn s ASN 958 Ca 0.10 -0.52 -0.08 0.00 -0.94 0.00 0.00 52.86 51.42 1jyn s ASN 958 Cb 0.02 0.19 0.06 0.00 -2.00 0.00 0.00 41.25 39.52 1jyn s ASN 958 CO -0.06 -0.44 0.35 -0.51 -2.94 0.00 0.00 177.10 173.50 1jyn s ILE 959 N -2.26 -0.05 0.16 0.54 2.07 -1.26 -0.84 121.20 119.56 1jyn s ILE 959 Ca -0.08 0.12 -0.24 0.00 -1.41 0.00 0.00 60.65 59.04 1jyn s ILE 959 Cb -0.03 -0.53 0.08 0.00 0.13 0.00 0.00 42.46 42.10 1jyn s ILE 959 CO -0.03 0.05 1.03 -0.94 -1.91 0.00 0.00 174.94 173.14 1jyn s SER 960 N 1.40 -0.06 -0.04 4.50 1.04 -0.72 -4.58 113.70 115.24 1jyn s SER 960 Ca -0.09 -0.56 0.08 0.00 0.48 0.00 0.00 55.95 55.86 1jyn s SER 960 Cb -0.09 0.47 0.31 0.00 0.10 0.00 0.00 66.02 66.81 1jyn s SER 960 CO -0.11 -0.92 1.14 0.54 0.98 0.00 0.00 173.24 174.87 1jyn n ARG 961 N -0.62 2.11 -4.65 4.02 5.12 -1.26 0.39 116.66 121.77 1jyn n ARG 961 Ca -0.04 -1.21 -0.25 0.00 -1.93 0.00 0.00 57.85 54.42 1jyn n ARG 961 Cb 0.60 -1.49 -0.16 0.00 -1.16 0.00 0.00 32.46 30.25 1jyn n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1jyn s TYR 962 N -1.65 1.53 0.74 -1.55 2.02 -1.26 -0.69 117.35 116.49 1jyn s TYR 962 Ca 0.22 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.27 1jyn s TYR 962 Cb 0.14 -1.09 0.04 0.00 -0.40 0.00 0.00 41.96 40.64 1jyn s TYR 962 CO 0.11 -0.25 1.08 -1.54 -1.57 0.00 0.00 175.55 173.37 1jyn s SER 963 N 0.50 4.84 0.29 2.29 1.04 -1.26 -4.83 113.70 116.58 1jyn s SER 963 Ca -0.12 1.71 -0.01 0.00 0.48 0.00 0.00 55.95 58.01 1jyn s SER 963 Cb -0.15 -2.48 0.44 0.00 0.10 0.00 0.00 66.02 63.94 1jyn s SER 963 CO 0.04 -1.80 1.87 1.56 0.98 0.00 0.00 173.24 175.89 1jyn h GLN 964 N -0.97 0.86 -0.05 4.02 1.08 -1.99 -1.76 115.11 116.31 1jyn h GLN 964 Ca -0.44 -0.14 0.03 0.00 -1.45 0.00 0.00 58.65 56.66 1jyn h GLN 964 Cb 1.23 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.46 1jyn h GLN 964 CO 0.54 0.71 -0.18 0.37 -0.95 0.00 0.00 178.83 179.32 1jyn h GLN 965 N 0.85 -0.26 -0.66 1.46 4.15 -1.98 0.20 115.11 118.87 1jyn h GLN 965 Ca 0.20 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 1jyn h GLN 965 Cb 0.17 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1jyn h GLN 965 CO -0.02 -0.17 0.36 0.37 -1.93 0.00 0.00 178.83 177.43 1jyn h GLN 966 N -0.27 0.92 -0.91 1.69 4.15 -1.84 -0.17 115.11 118.67 1jyn h GLN 966 Ca 0.07 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1jyn h GLN 966 Cb 0.37 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 1jyn h GLN 966 CO -0.20 0.69 0.50 -0.07 -1.93 0.00 0.00 178.83 177.82 1jyn h LEU 967 N 0.90 1.13 -1.00 -2.39 3.38 -0.72 -0.96 115.31 115.65 1jyn h LEU 967 Ca 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1jyn h LEU 967 Cb 0.05 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1jyn h LEU 967 CO -0.04 0.91 -0.08 0.00 0.09 0.00 0.00 178.44 179.31 1jyn h MET 968 N 1.27 0.00 -0.09 1.13 -0.00 0.02 -2.75 114.93 114.51 1jyn h MET 968 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.02 1jyn h MET 968 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.62 1jyn h MET 968 CO -0.05 0.08 0.00 0.39 -0.00 0.00 0.00 176.91 177.33 1jyn n GLU 969 N -3.18 2.02 -5.04 -0.10 1.02 -0.14 -4.89 120.64 110.33 1jyn n GLU 969 Ca 0.01 -1.50 -0.32 0.00 -0.02 0.00 0.00 57.16 55.33 1jyn n GLU 969 Cb 0.41 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.21 1jyn n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jyn s THR 970 N -1.90 2.53 -1.54 2.62 2.01 -0.54 -5.02 115.64 113.79 1jyn s THR 970 Ca 0.34 -0.87 0.22 0.00 0.31 0.00 0.00 61.69 61.69 1jyn s THR 970 Cb 0.20 -1.99 -0.08 0.00 0.01 0.00 0.00 72.50 70.64 1jyn s THR 970 CO 0.31 0.56 1.05 -1.54 -0.69 0.00 0.00 174.62 174.31 1jyn n SER 971 N 3.20 1.47 -3.76 3.53 3.41 -1.26 -4.24 113.62 115.97 1jyn n SER 971 Ca -0.18 -1.21 -0.15 0.00 -0.26 0.00 0.00 58.87 57.08 1jyn n SER 971 Cb 0.52 0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 64.98 1jyn n SER 971 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jyn s HIS 972 N -2.72 -0.05 0.50 7.33 3.76 -1.26 -4.46 115.29 118.39 1jyn s HIS 972 Ca 0.14 0.28 0.24 0.00 -0.15 0.00 0.00 55.06 55.57 1jyn s HIS 972 Cb 0.17 -0.19 1.32 0.00 1.11 0.00 0.00 32.58 35.00 1jyn s HIS 972 CO 0.70 -0.13 1.93 0.07 -0.85 0.00 0.00 174.74 176.46 1jyn h ARG 973 N 7.33 0.13 0.00 1.40 0.11 -0.96 -1.40 114.38 120.99 1jyn h ARG 973 Ca -0.44 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1jyn h ARG 973 Cb 1.13 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1jyn h ARG 973 CO 0.44 0.08 0.00 -2.39 0.10 0.00 0.00 179.97 178.21 1jyn n HIS 974 N -4.38 0.33 1.12 4.08 1.44 -1.26 -2.13 115.22 114.41 1jyn n HIS 974 Ca 0.15 0.13 0.12 0.00 -2.01 0.00 0.00 57.72 56.10 1jyn n HIS 974 Cb 0.72 -0.70 0.18 0.00 0.12 0.00 0.00 29.99 30.31 1jyn n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1jyn n LEU 975 N -1.79 2.28 -4.78 2.39 4.77 -0.53 -4.92 117.00 114.42 1jyn n LEU 975 Ca 0.03 -0.77 -0.36 0.00 -0.03 0.00 0.00 56.01 54.88 1jyn n LEU 975 Cb 0.20 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1jyn n LEU 975 CO 0.17 0.39 0.74 -0.76 -1.33 0.00 0.00 177.39 176.60 1jyn s LEU 976 N -2.17 4.07 -0.02 2.23 1.43 -0.91 -5.06 118.68 118.25 1jyn s LEU 976 Ca 0.27 2.04 0.04 0.00 -1.03 0.00 0.00 54.13 55.46 1jyn s LEU 976 Cb 0.20 -4.27 -0.01 0.00 0.03 0.00 0.00 46.19 42.14 1jyn s LEU 976 CO 0.40 -0.60 -0.15 -1.38 0.23 0.00 0.00 176.35 174.85 1jyn s HIS 977 N -1.71 1.36 0.21 0.29 -3.43 -1.26 -5.11 115.29 105.64 1jyn s HIS 977 Ca 0.60 -0.30 -0.31 0.00 -0.80 0.00 0.00 55.06 54.25 1jyn s HIS 977 Cb -0.22 -0.90 -0.11 0.00 -1.43 0.00 0.00 32.58 29.93 1jyn s HIS 977 CO 0.27 -0.07 1.58 0.00 -2.00 0.00 0.00 174.74 174.52 1jyn s ALA 978 N -0.18 3.78 0.71 -1.38 0.00 -1.26 -4.83 121.76 118.59 1jyn s ALA 978 Ca 0.02 1.44 -0.06 0.00 0.00 0.00 0.00 51.96 53.37 1jyn s ALA 978 Cb -0.07 -3.63 0.08 0.00 0.00 0.00 0.00 23.12 19.49 1jyn s ALA 978 CO 0.00 -0.83 1.00 -1.21 0.00 0.00 0.00 175.76 174.72 1jyn s GLU 979 N 0.59 2.04 0.48 0.00 2.02 0.13 -5.02 118.70 118.95 1jyn s GLU 979 Ca 0.68 -0.46 -0.22 0.00 0.02 0.00 0.00 54.97 54.99 1jyn s GLU 979 Cb -0.45 -2.21 -0.07 0.00 0.10 0.00 0.00 34.13 31.50 1jyn s GLU 979 CO 0.36 -1.30 1.19 -2.00 0.02 0.00 0.00 175.26 173.54 1jyn s GLU 980 N -5.22 3.60 3.05 1.61 2.12 -1.26 -4.77 118.70 117.83 1jyn s GLU 980 Ca 0.62 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.78 1jyn s GLU 980 Cb -0.09 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1jyn s GLU 980 CO 0.44 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1jyn n GLY 981 N 0.46 0.10 2.87 -1.50 0.00 -1.26 -4.83 105.19 101.03 1jyn n GLY 981 Ca 0.08 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 1jyn n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyn s THR 982 N 0.00 0.45 -0.09 2.61 2.01 -0.80 -4.69 115.64 115.13 1jyn s THR 982 Ca 0.00 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 1jyn s THR 982 Cb 0.00 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1jyn s THR 982 CO 0.00 0.21 0.61 0.26 -0.69 0.00 0.00 174.62 175.01 1jyn s TRP 983 N 0.97 3.55 -0.14 4.92 0.52 0.16 -0.01 118.94 128.91 1jyn s TRP 983 Ca -0.10 1.10 0.02 0.00 0.02 0.00 0.00 56.10 57.14 1jyn s TRP 983 Cb -0.14 -2.71 0.01 0.00 -1.15 0.00 0.00 33.47 29.48 1jyn s TRP 983 CO -0.00 0.12 -0.21 -1.17 0.02 0.00 0.00 176.95 175.70 1jyn s LEU 984 N 0.75 2.05 -0.21 2.99 2.96 -0.11 -1.75 118.68 125.36 1jyn s LEU 984 Ca 0.33 -0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1jyn s LEU 984 Cb -0.17 -1.39 0.01 0.00 0.50 0.00 0.00 46.19 45.14 1jyn s LEU 984 CO 0.15 0.07 -0.11 0.20 -1.32 0.00 0.00 176.35 175.34 1jyn s ASN 985 N 0.85 3.83 -0.22 3.68 0.01 -0.02 -1.90 114.94 121.17 1jyn s ASN 985 Ca -0.07 -0.55 0.01 0.00 -0.71 0.00 0.00 52.86 51.55 1jyn s ASN 985 Cb -0.15 -1.63 0.03 0.00 0.41 0.00 0.00 41.25 39.91 1jyn s ASN 985 CO -0.02 -0.02 -0.15 -0.51 -1.51 0.00 0.00 177.10 174.89 1jyn s ILE 986 N 1.39 2.25 -0.14 0.60 2.07 -0.47 -1.51 121.20 125.39 1jyn s ILE 986 Ca 0.05 -1.17 -0.05 0.00 -1.41 0.00 0.00 60.65 58.07 1jyn s ILE 986 Cb -0.14 -2.11 -0.04 0.00 0.13 0.00 0.00 42.46 40.31 1jyn s ILE 986 CO -0.07 0.30 0.03 -1.81 -1.91 0.00 0.00 174.94 171.48 1jyn s ASP 987 N 1.24 5.44 0.21 4.50 1.01 0.24 -0.55 116.67 128.75 1jyn s ASP 987 Ca -0.00 0.11 -0.01 0.00 0.71 0.00 0.00 52.55 53.36 1jyn s ASP 987 Cb -0.16 -1.78 0.17 0.00 1.01 0.00 0.00 42.92 42.16 1jyn s ASP 987 CO -0.09 0.27 1.53 1.23 0.21 0.00 0.00 175.17 178.32 1jyn h GLY 988 N 6.00 0.51 -4.76 0.21 0.00 -0.88 0.12 103.07 104.26 1jyn h GLY 988 Ca -0.42 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.18 1jyn h GLY 988 CO 0.63 0.53 -0.37 -1.36 0.00 0.00 0.00 176.54 175.97 1jyn s PHE 989 N -3.96 -0.14 -0.05 5.60 0.08 -1.01 -4.67 117.98 113.82 1jyn s PHE 989 Ca -0.06 0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.19 1jyn s PHE 989 Cb 0.12 0.05 0.01 0.00 -0.57 0.00 0.00 43.02 42.63 1jyn s PHE 989 CO 0.83 -0.31 0.13 -1.58 -0.10 0.00 0.00 175.22 174.19 1jyn s HIS 990 N -1.03 -0.15 0.56 0.36 2.46 -1.26 -1.23 115.29 115.01 1jyn s HIS 990 Ca -0.11 0.36 -0.18 0.00 0.47 0.00 0.00 55.06 55.60 1jyn s HIS 990 Cb -0.05 0.04 -0.05 0.00 -0.13 0.00 0.00 32.58 32.39 1jyn s HIS 990 CO 0.03 -0.07 1.11 1.41 -2.47 0.00 0.00 174.74 174.75 1jyn s MET 991 N 0.12 3.28 0.99 2.88 1.75 0.52 -4.75 119.30 124.09 1jyn s MET 991 Ca -0.00 1.53 -0.11 0.00 -1.25 0.00 0.00 55.69 55.85 1jyn s MET 991 Cb -0.01 -2.00 0.19 0.00 2.84 0.00 0.00 34.83 35.84 1jyn s MET 991 CO -0.00 -0.89 1.09 0.20 -0.65 0.00 0.00 175.02 174.78 1jyn s GLY 992 N -2.00 1.63 0.01 2.11 0.00 -0.48 -4.69 107.32 103.89 1jyn s GLY 992 Ca 0.71 0.23 0.22 0.00 0.00 0.00 0.00 44.72 45.88 1jyn s GLY 992 CO 0.30 0.76 0.71 0.29 0.00 0.00 0.00 173.10 175.16 1jyn n ILE 993 N -4.38 0.07 -4.90 0.90 -5.35 -1.26 -4.93 119.36 99.51 1jyn n ILE 993 Ca 0.08 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1jyn n ILE 993 Cb 0.53 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1jyn n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jyn n GLY 994 N 1.33 0.70 0.00 3.28 0.00 -1.26 -4.76 105.19 104.48 1jyn n GLY 994 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1jyn n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jyn n GLY 995 N 0.00 -0.67 0.45 -0.02 0.00 -1.26 -0.98 105.19 102.71 1jyn n GLY 995 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 1jyn n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jyn h ASP 996 N 0.00 0.23 -5.14 1.61 3.32 -1.80 -1.83 116.42 112.82 1jyn h ASP 996 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1jyn h ASP 996 Cb 0.00 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 1jyn h ASP 996 CO 0.00 0.06 0.03 1.51 -1.72 0.00 0.00 179.24 179.12 1jyn s ASP 997 N -5.37 -0.17 -0.20 6.45 1.47 -1.26 -4.02 116.67 113.57 1jyn s ASP 997 Ca -0.07 -0.78 0.12 0.00 1.18 0.00 0.00 52.55 53.00 1jyn s ASP 997 Cb 0.24 0.64 0.42 0.00 -0.34 0.00 0.00 42.92 43.88 1jyn s ASP 997 CO 0.79 -1.22 1.22 -1.20 0.68 0.00 0.00 175.17 175.44 1jyn n SER 998 N -0.41 1.83 0.00 2.11 7.64 -1.26 -4.62 113.62 118.91 1jyn n SER 998 Ca -0.03 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.07 1jyn n SER 998 Cb 0.61 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1jyn n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1jyn n TRP 999 N -1.00 0.00 -3.76 1.43 2.14 -1.26 -4.24 117.44 110.75 1jyn n TRP 999 Ca 0.19 -0.09 -0.11 0.00 2.07 0.00 0.00 57.50 59.57 1jyn n TRP 999 Cb 0.73 -0.01 -0.07 0.00 -0.81 0.00 0.00 31.31 31.15 1jyn n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1jyn s SER 1000N -0.19 -0.07 0.20 -0.67 1.04 -1.26 -4.48 113.70 108.27 1jyn s SER 1000Ca 0.00 -0.35 -0.32 0.00 0.48 0.00 0.00 55.95 55.76 1jyn s SER 1000Cb 0.00 0.37 -0.13 0.00 0.10 0.00 0.00 66.02 66.36 1jyn s SER 1000CO 0.00 -0.69 1.60 -2.65 0.98 0.00 0.00 173.24 172.48 1jyn n PRO 1001N 0.25 2.39 -0.04 4.02 -0.02 -1.26 -4.81 135.00 135.53 1jyn n PRO 1001Ca -0.17 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1jyn n PRO 1001Cb 0.61 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1jyn n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jyn n SER 1002N 3.22 0.51 -4.66 2.55 3.41 -1.26 -5.00 113.62 112.38 1jyn n SER 1002Ca 0.15 -1.36 -0.43 0.00 -0.26 0.00 0.00 58.87 56.97 1jyn n SER 1002Cb 0.32 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 1jyn n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jyn s VAL 1003N -0.30 4.73 0.57 -3.33 1.01 -1.26 -4.35 120.40 117.47 1jyn s VAL 1003Ca 0.01 1.93 -0.21 0.00 0.00 0.00 0.00 61.98 63.71 1jyn s VAL 1003Cb 0.01 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1jyn s VAL 1003CO 0.00 -0.14 1.32 -0.55 0.00 0.00 0.00 175.10 175.74 1jyn s SER 1004N 1.22 5.12 0.30 3.32 0.15 -1.26 -4.85 113.70 117.69 1jyn s SER 1004Ca 0.42 2.68 0.05 0.00 0.70 0.00 0.00 55.95 59.81 1jyn s SER 1004Cb -0.15 -2.63 0.72 0.00 -1.71 0.00 0.00 66.02 62.25 1jyn s SER 1004CO 0.07 -1.66 1.77 0.00 1.20 0.00 0.00 173.24 174.62 1jyn h ALA 1005N 1.19 1.63 0.00 5.45 0.00 -1.96 0.40 119.26 125.97 1jyn h ALA 1005Ca -0.51 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jyn h ALA 1005Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jyn h ALA 1005CO 0.56 -0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.90 1jyn n GLU 1006N -4.79 0.11 -0.13 0.00 0.00 -1.26 -1.97 120.64 112.60 1jyn n GLU 1006Ca 0.23 0.49 0.06 0.00 0.00 0.00 0.00 57.16 57.94 1jyn n GLU 1006Cb 0.56 -1.78 0.13 0.00 0.00 0.00 0.00 31.44 30.36 1jyn n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1jyn n PHE 1007N -2.00 0.34 -3.47 -1.84 3.72 0.12 -4.97 117.46 109.36 1jyn n PHE 1007Ca 0.01 -0.31 -0.37 0.00 -0.05 0.00 0.00 57.45 56.73 1jyn n PHE 1007Cb 0.11 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.58 1jyn n PHE 1007CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1jyn s GLN 1008N -1.03 3.92 -1.26 -1.08 -0.21 -0.83 -1.38 119.66 117.78 1jyn s GLN 1008Ca 0.23 0.40 -0.14 0.00 0.02 0.00 0.00 55.36 55.87 1jyn s GLN 1008Cb 0.13 -3.11 0.14 0.00 1.00 0.00 0.00 33.01 31.17 1jyn s GLN 1008CO 0.18 0.61 1.64 1.28 -2.12 0.00 0.00 175.29 176.87 1jyn n LEU 1009N 1.36 5.54 -0.82 2.90 4.77 -1.26 -4.69 117.00 124.81 1jyn n LEU 1009Ca -0.10 -4.36 0.09 0.00 -0.03 0.00 0.00 56.01 51.61 1jyn n LEU 1009Cb 0.52 -1.62 0.14 0.00 -2.33 0.00 0.00 43.42 40.12 1jyn n LEU 1009CO 0.40 0.75 0.60 -1.54 -1.33 0.00 0.00 177.39 176.27 1jyn n SER 1010N 5.93 2.85 0.31 -1.43 3.41 -1.26 -4.35 113.62 119.08 1jyn n SER 1010Ca 0.41 -1.83 0.21 0.00 -0.26 0.00 0.00 58.87 57.39 1jyn n SER 1010Cb 0.42 -0.14 1.00 0.00 -0.26 0.00 0.00 64.21 65.23 1jyn n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyn h ALA 1011N 3.31 1.00 0.00 7.33 0.00 -1.98 -3.47 119.26 125.45 1jyn h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jyn h ALA 1011Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1jyn h ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1jyn n GLY 1012N -0.64 2.10 3.07 0.00 0.00 -1.26 -4.89 105.19 103.57 1jyn n GLY 1012Ca -0.02 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 1jyn n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jyn s ARG 1013N 0.00 1.53 0.03 1.61 0.52 -1.26 -0.56 118.95 120.81 1jyn s ARG 1013Ca 0.00 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 1jyn s ARG 1013Cb 0.00 -1.33 -0.02 0.00 0.52 0.00 0.00 34.95 34.12 1jyn s ARG 1013CO 0.00 0.16 -0.12 0.71 0.02 0.00 0.00 175.30 176.07 1jyn s TYR 1014N 0.21 1.03 -0.00 -0.53 2.02 -0.47 -4.97 117.35 114.63 1jyn s TYR 1014Ca -0.06 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1jyn s TYR 1014Cb -0.11 -0.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.82 1jyn s TYR 1014CO 0.02 0.01 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.35 1jyn s HIS 1015N -0.77 0.66 0.12 2.71 5.65 -1.26 -0.12 115.29 122.28 1jyn s HIS 1015Ca 0.00 -0.14 -0.16 0.00 0.25 0.00 0.00 55.06 55.01 1jyn s HIS 1015Cb -0.07 -0.42 0.03 0.00 -1.18 0.00 0.00 32.58 30.94 1jyn s HIS 1015CO 0.01 -0.01 0.40 1.52 -0.65 0.00 0.00 174.74 176.00 1jyn s TYR 1016N -0.23 -0.20 -0.07 3.88 1.13 -0.06 -5.01 117.35 116.79 1jyn s TYR 1016Ca 0.02 -0.12 -0.10 0.00 -1.41 0.00 0.00 57.07 55.47 1jyn s TYR 1016Cb -0.03 0.25 0.02 0.00 -1.10 0.00 0.00 41.96 41.10 1jyn s TYR 1016CO -0.00 -0.70 0.25 1.14 -2.51 0.00 0.00 175.55 173.74 1jyn s GLN 1017N -3.79 0.38 0.05 -3.49 -2.07 -1.26 0.02 119.66 109.49 1jyn s GLN 1017Ca 0.03 0.19 -0.03 0.00 -1.82 0.00 0.00 55.36 53.73 1jyn s GLN 1017Cb 0.02 0.18 -0.03 0.00 -1.09 0.00 0.00 33.01 32.09 1jyn s GLN 1017CO -0.12 -0.07 0.02 -0.51 -1.32 0.00 0.00 175.29 173.30 1jyn s LEU 1018N -0.26 2.17 -0.11 2.60 1.43 -0.05 -4.34 118.68 120.12 1jyn s LEU 1018Ca -0.04 -0.76 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1jyn s LEU 1018Cb -0.03 0.36 -0.00 0.00 0.03 0.00 0.00 46.19 46.55 1jyn s LEU 1018CO 0.01 -0.54 -0.22 -0.69 0.23 0.00 0.00 176.35 175.14 1jyn s VAL 1019N -3.15 2.18 -0.16 -1.59 1.01 0.50 0.33 120.40 119.52 1jyn s VAL 1019Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1jyn s VAL 1019Cb 0.02 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1jyn s VAL 1019CO -0.07 0.55 -0.07 0.86 0.00 0.00 0.00 175.10 176.37 1jyn s TRP 1020N 0.39 2.93 0.21 5.22 -0.11 0.83 -0.64 118.94 127.77 1jyn s TRP 1020Ca -0.17 -0.59 -0.05 0.00 1.22 0.00 0.00 56.10 56.51 1jyn s TRP 1020Cb -0.18 -1.96 -0.03 0.00 -1.50 0.00 0.00 33.47 29.81 1jyn s TRP 1020CO 0.08 -0.24 0.24 0.00 -4.62 0.00 0.00 176.95 172.40 1jyn s GLN 1022N -4.11 3.71 0.00 0.00 0.74 -1.26 -1.63 119.66 117.12 1jyn s GLN 1022Ca 0.33 0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.86 1jyn s GLN 1022Cb 0.05 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.48 1jyn s GLN 1022CO 0.10 0.30 0.31 1.17 -0.55 0.00 0.00 175.29 176.63