#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyl s ALA 2 N 0.00 -1.61 0.20 3.04 0.00 -0.89 -4.95 121.76 117.55 3jyl s ALA 2 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 3jyl s ALA 2 Cb 0.00 0.78 -0.07 0.00 0.00 0.00 0.00 23.12 23.83 3jyl s ALA 2 CO 0.00 -0.79 0.54 0.15 0.00 0.00 0.00 175.76 175.66 3jyl s LYS 3 N -3.62 3.85 0.06 0.00 3.01 -1.26 -0.11 119.74 121.66 3jyl s LYS 3 Ca 0.03 0.33 -0.22 0.00 -1.01 0.00 0.00 55.97 55.10 3jyl s LYS 3 Cb -0.02 -2.73 0.05 0.00 -1.01 0.00 0.00 37.83 34.13 3jyl s LYS 3 CO -0.10 0.37 0.53 -0.98 0.51 0.00 0.00 175.35 175.68 3jyl s ARG 4 N -2.56 1.06 0.04 1.68 1.70 0.10 -2.48 118.95 118.48 3jyl s ARG 4 Ca 0.44 -0.26 -0.19 0.00 -0.47 0.00 0.00 55.73 55.25 3jyl s ARG 4 Cb -0.12 0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 34.68 3jyl s ARG 4 CO 0.20 -0.39 0.55 0.42 -1.08 0.00 0.00 175.30 175.01 3jyl s ILE 5 N -2.57 4.83 0.13 4.99 -1.09 0.60 -1.49 121.20 126.60 3jyl s ILE 5 Ca -0.05 1.17 -0.17 0.00 -2.23 0.00 0.00 60.65 59.38 3jyl s ILE 5 Cb -0.01 -3.88 0.04 0.00 -1.58 0.00 0.00 42.46 37.03 3jyl s ILE 5 CO -0.03 0.52 0.44 0.00 -1.23 0.00 0.00 174.94 174.64 3jyl s GLN 6 N -0.82 1.12 0.02 2.79 -2.07 -0.14 -4.06 119.66 116.49 3jyl s GLN 6 Ca 0.29 -0.68 0.06 0.00 -1.82 0.00 0.00 55.36 53.20 3jyl s GLN 6 Cb -0.19 0.49 -0.02 0.00 -1.09 0.00 0.00 33.01 32.20 3jyl s GLN 6 CO 0.18 -0.45 -0.17 -0.59 -1.32 0.00 0.00 175.29 172.94 3jyl s PHE 7 N -3.80 1.49 -0.80 9.60 -0.71 -0.67 -0.29 117.98 122.80 3jyl s PHE 7 Ca 0.03 -0.33 0.20 0.00 -1.04 0.00 0.00 56.93 55.79 3jyl s PHE 7 Cb 0.01 -0.91 -0.23 0.00 -1.21 0.00 0.00 43.02 40.68 3jyl s PHE 7 CO -0.12 0.03 0.78 0.43 -1.34 0.00 0.00 175.22 175.01 3jyl n SER 8 N 2.17 0.85 -3.77 1.98 7.64 -1.26 -0.67 113.62 120.56 3jyl n SER 8 Ca -0.16 -0.83 -0.13 0.00 1.01 0.00 0.00 58.87 58.76 3jyl n SER 8 Cb 0.54 1.14 -0.10 0.00 -1.01 0.00 0.00 64.21 64.78 3jyl n SER 8 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3jyl s THR 9 N -2.95 0.03 0.38 0.44 -1.32 -1.26 -4.77 115.64 106.18 3jyl s THR 9 Ca 0.05 -0.21 -0.20 0.00 -1.21 0.00 0.00 61.69 60.12 3jyl s THR 9 Cb 0.15 -0.51 -0.10 0.00 -1.51 0.00 0.00 72.50 70.52 3jyl s THR 9 CO 0.82 -0.12 0.88 0.68 -2.21 0.00 0.00 174.62 174.67 3jyl s VAL 10 N -0.48 4.46 -1.30 5.08 -7.23 -1.26 -4.88 120.40 114.80 3jyl s VAL 10 Ca -0.06 1.36 0.00 0.00 -1.81 0.00 0.00 61.98 61.47 3jyl s VAL 10 Cb -0.04 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.24 3jyl s VAL 10 CO 0.02 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 3jyl n GLY 11 N -0.36 -0.62 2.26 2.32 0.00 0.13 -4.93 105.19 103.99 3jyl n GLY 11 Ca 0.05 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 3jyl n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyl n GLY 12 N 0.00 -0.05 0.50 -0.02 0.00 -1.26 -3.21 105.19 101.15 3jyl n GLY 12 Ca 0.00 -1.89 0.32 0.00 0.00 0.00 0.00 46.02 44.45 3jyl n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jyl h PRO 13 N 0.00 0.05 0.00 1.61 0.11 -1.94 0.05 132.00 131.88 3jyl h PRO 13 Ca -0.21 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3jyl h PRO 13 Cb 0.71 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3jyl h PRO 13 CO 0.20 0.04 0.00 1.05 -0.21 0.00 0.00 178.00 179.07 3jyl h GLU 14 N 0.06 0.00 -0.78 1.05 9.09 -1.96 -2.09 114.58 119.95 3jyl h GLU 14 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 3jyl h GLU 14 Cb 2.05 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 29.11 3jyl h GLU 14 CO -0.05 0.00 0.50 0.28 0.05 0.00 0.00 179.01 179.79 3jyl h VAL 15 N 0.00 1.21 -3.89 -1.06 2.07 -1.32 -3.45 116.25 109.81 3jyl h VAL 15 Ca 0.00 -0.41 -0.53 0.00 0.82 0.00 0.00 66.70 66.59 3jyl h VAL 15 Cb 0.25 0.08 0.07 0.00 -1.52 0.00 0.00 31.29 30.17 3jyl h VAL 15 CO 0.00 0.21 0.66 -0.76 0.02 0.00 0.00 177.57 177.69 3jyl s LEU 16 N -9.86 4.41 -0.01 2.57 1.43 -0.79 -4.46 118.68 111.98 3jyl s LEU 16 Ca -0.11 2.74 0.02 0.00 -1.03 0.00 0.00 54.13 55.75 3jyl s LEU 16 Cb 0.18 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 3jyl s LEU 16 CO 0.79 -0.58 -0.08 -1.61 0.23 0.00 0.00 176.35 175.10 3jyl s GLU 17 N -1.83 0.65 -0.38 1.70 2.02 0.60 -4.95 118.70 116.52 3jyl s GLU 17 Ca 0.49 -0.28 -0.13 0.00 0.02 0.00 0.00 54.97 55.07 3jyl s GLU 17 Cb -0.41 -0.63 0.01 0.00 0.10 0.00 0.00 34.13 33.21 3jyl s GLU 17 CO 0.54 0.16 0.26 -0.47 0.02 0.00 0.00 175.26 175.77 3jyl s TYR 18 N -0.15 3.23 0.24 1.61 5.04 -1.26 -0.97 117.35 125.09 3jyl s TYR 18 Ca 0.03 -0.60 -0.08 0.00 -2.44 0.00 0.00 57.07 53.97 3jyl s TYR 18 Cb -0.03 -2.52 -0.02 0.00 0.35 0.00 0.00 41.96 39.74 3jyl s TYR 18 CO -0.00 -0.55 0.35 0.14 -1.34 0.00 0.00 175.55 174.15 3jyl s VAL 19 N 1.65 0.00 0.38 3.14 -7.23 -0.55 -4.94 120.40 112.85 3jyl s VAL 19 Ca 0.04 -1.64 -0.25 0.00 -1.81 0.00 0.00 61.98 58.33 3jyl s VAL 19 Cb -0.19 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.32 3jyl s VAL 19 CO 0.09 0.00 1.05 -1.81 -0.31 0.00 0.00 175.10 174.12 3jyl s ASP 20 N -3.09 6.87 0.09 4.85 -0.00 -1.26 -0.72 116.67 123.42 3jyl s ASP 20 Ca 0.29 2.06 -0.11 0.00 -0.00 0.00 0.00 52.55 54.79 3jyl s ASP 20 Cb 0.02 -2.59 0.01 0.00 -0.00 0.00 0.00 42.92 40.36 3jyl s ASP 20 CO 0.11 -0.41 0.26 0.72 -0.00 0.00 0.00 175.17 175.85 3jyl s PHE 21 N -1.58 0.02 -0.43 4.23 -0.12 0.84 -4.91 117.98 116.03 3jyl s PHE 21 Ca 0.55 -0.39 -0.19 0.00 -0.05 0.00 0.00 56.93 56.85 3jyl s PHE 21 Cb -0.23 0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.23 3jyl s PHE 21 CO 0.29 -0.58 0.56 -1.21 -0.05 0.00 0.00 175.22 174.23 3jyl s GLU 22 N -3.66 3.20 0.26 1.99 0.41 -1.26 -2.09 118.70 117.54 3jyl s GLU 22 Ca 0.03 -0.54 -0.30 0.00 -0.41 0.00 0.00 54.97 53.75 3jyl s GLU 22 Cb 0.03 -3.96 -0.10 0.00 -1.78 0.00 0.00 34.13 28.32 3jyl s GLU 22 CO -0.10 -0.95 1.46 -2.14 -0.49 0.00 0.00 175.26 173.04 3jyl s PRO 23 N 2.54 4.24 0.60 0.39 0.02 -1.26 -4.98 135.00 136.55 3jyl s PRO 23 Ca 0.18 2.35 -0.17 0.00 0.02 0.00 0.00 61.00 63.38 3jyl s PRO 23 Cb -0.15 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 3jyl s PRO 23 CO 0.17 -0.45 1.12 -1.21 -0.33 0.00 0.00 177.00 176.30 3jyl s GLU 24 N -0.43 3.10 0.29 5.54 0.41 -1.26 -5.00 118.70 121.35 3jyl s GLU 24 Ca 0.60 1.51 -0.29 0.00 -0.41 0.00 0.00 54.97 56.38 3jyl s GLU 24 Cb -0.43 -1.98 -0.09 0.00 -1.78 0.00 0.00 34.13 29.85 3jyl s GLU 24 CO 0.44 -1.03 1.06 0.00 -0.49 0.00 0.00 175.26 175.25 3jyl s ALA 25 N -2.04 3.36 0.06 5.21 0.00 -1.26 -4.97 121.76 122.13 3jyl s ALA 25 Ca 0.70 0.82 -0.31 0.00 0.00 0.00 0.00 51.96 53.18 3jyl s ALA 25 Cb -0.22 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.52 3jyl s ALA 25 CO 0.34 -0.10 1.67 -1.25 0.00 0.00 0.00 175.76 176.42 3jyl s PRO 26 N -1.53 4.19 1.13 0.00 0.04 -1.26 -5.00 135.00 132.57 3jyl s PRO 26 Ca 0.45 2.35 -0.13 0.00 0.04 0.00 0.00 61.00 63.71 3jyl s PRO 26 Cb -0.30 -3.64 0.26 0.00 0.04 0.00 0.00 34.50 30.86 3jyl s PRO 26 CO 0.38 -0.76 1.04 0.20 0.04 0.00 0.00 177.00 177.90 3jyl s GLY 27 N 2.56 1.55 0.32 0.56 0.00 -1.26 -4.71 107.32 106.34 3jyl s GLY 27 Ca 0.75 -0.21 0.09 0.00 0.00 0.00 0.00 44.72 45.35 3jyl s GLY 27 CO 0.33 0.49 1.76 -2.55 0.00 0.00 0.00 173.10 173.13 3jyl h PRO 28 N -2.46 0.62 -0.29 2.90 0.11 -1.94 -1.84 132.00 129.09 3jyl h PRO 28 Ca -0.60 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.45 3jyl h PRO 28 Cb 1.33 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3jyl h PRO 28 CO 0.52 0.41 0.00 1.04 -0.21 0.00 0.00 178.00 179.77 3jyl n GLN 29 N -4.79 2.97 -3.96 1.05 6.02 -1.26 -1.36 117.38 116.05 3jyl n GLN 29 Ca 0.25 -2.89 -0.21 0.00 -0.01 0.00 0.00 57.00 54.14 3jyl n GLN 29 Cb 0.68 -1.88 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 3jyl n GLN 29 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jyl s ALA 30 N -2.86 3.75 -0.02 -1.58 0.00 -0.69 -1.31 121.76 119.04 3jyl s ALA 30 Ca 0.43 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.95 3jyl s ALA 30 Cb 0.35 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 3jyl s ALA 30 CO 0.09 0.15 -0.13 0.08 0.00 0.00 0.00 175.76 175.95 3jyl s VAL 31 N -2.18 1.07 -0.25 0.00 1.01 -0.02 -1.34 120.40 118.70 3jyl s VAL 31 Ca 0.37 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 3jyl s VAL 31 Cb -0.07 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 3jyl s VAL 31 CO 0.26 0.31 0.23 -0.69 0.00 0.00 0.00 175.10 175.22 3jyl s VAL 32 N -0.06 5.30 0.09 2.92 1.01 0.28 -2.25 120.40 127.69 3jyl s VAL 32 Ca 0.00 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.34 3jyl s VAL 32 Cb -0.08 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3jyl s VAL 32 CO 0.00 0.29 -0.03 -0.69 0.00 0.00 0.00 175.10 174.67 3jyl s VAL 33 N 1.37 3.80 -0.90 2.92 1.01 0.17 -0.16 120.40 128.62 3jyl s VAL 33 Ca 0.10 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 3jyl s VAL 33 Cb -0.15 -2.80 0.22 0.00 0.00 0.00 0.00 36.38 33.66 3jyl s VAL 33 CO 0.07 0.13 0.80 -0.60 0.00 0.00 0.00 175.10 175.50 3jyl s ARG 34 N -2.25 3.37 -0.45 2.72 6.06 0.79 -2.11 118.95 127.09 3jyl s ARG 34 Ca 0.24 -3.19 -0.43 0.00 -2.50 0.00 0.00 55.73 49.85 3jyl s ARG 34 Cb -0.11 -4.04 -0.18 0.00 0.06 0.00 0.00 34.95 30.68 3jyl s ARG 34 CO 0.16 -1.25 1.96 0.09 -2.50 0.00 0.00 175.30 173.76 3jyl n ASN 35 N 2.52 1.28 -0.05 -2.12 5.03 -0.82 -3.11 115.26 118.00 3jyl n ASN 35 Ca 0.21 0.82 -0.05 0.00 0.87 0.00 0.00 54.58 56.42 3jyl n ASN 35 Cb 0.38 -0.98 -0.14 0.00 -1.02 0.00 0.00 39.78 38.01 3jyl n ASN 35 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3jyl n LYS 36 N 6.44 0.66 -3.79 3.52 4.76 0.93 -4.59 118.16 126.09 3jyl n LYS 36 Ca 0.43 0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.82 3jyl n LYS 36 Cb 0.02 -1.63 -0.10 0.00 -1.84 0.00 0.00 35.03 31.47 3jyl n LYS 36 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3jyl s ALA 37 N -2.71 -0.67 -0.02 7.82 0.00 -1.02 -4.49 121.76 120.66 3jyl s ALA 37 Ca -0.07 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.41 3jyl s ALA 37 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3jyl s ALA 37 CO 0.83 -0.19 -0.15 0.42 0.00 0.00 0.00 175.76 176.67 3jyl s ILE 38 N -0.62 1.21 0.53 0.00 1.01 0.11 -1.42 121.20 122.02 3jyl s ILE 38 Ca -0.07 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 3jyl s ILE 38 Cb -0.04 -1.03 -0.07 0.00 0.01 0.00 0.00 42.46 41.33 3jyl s ILE 38 CO 0.02 0.35 1.00 -0.83 0.00 0.00 0.00 174.94 175.48 3jyl s GLY 39 N -0.14 2.03 -0.16 6.18 0.00 -0.13 0.51 107.32 115.62 3jyl s GLY 39 Ca 0.01 0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.93 3jyl s GLY 39 CO 0.00 0.46 -0.21 -2.27 0.00 0.00 0.00 173.10 171.08 3jyl s LEU 40 N -4.22 2.11 0.07 0.66 2.96 -1.26 -4.72 118.68 114.28 3jyl s LEU 40 Ca 0.59 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3jyl s LEU 40 Cb -0.11 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3jyl s LEU 40 CO 0.34 0.05 0.04 0.20 -1.32 0.00 0.00 176.35 175.66 3jyl s ASN 41 N 1.00 0.37 0.39 3.68 0.01 -1.26 -4.99 114.94 114.14 3jyl s ASN 41 Ca -0.02 -0.92 0.06 0.00 -0.71 0.00 0.00 52.86 51.27 3jyl s ASN 41 Cb -0.15 0.25 0.77 0.00 0.41 0.00 0.00 41.25 42.53 3jyl s ASN 41 CO -0.06 -0.65 2.00 -0.26 -1.51 0.00 0.00 177.10 176.62 3jyl h PHE 42 N 3.01 0.53 -0.59 2.20 0.04 -2.00 -1.69 116.94 118.44 3jyl h PHE 42 Ca -0.34 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.51 3jyl h PHE 42 Cb 1.16 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 39.11 3jyl h PHE 42 CO 0.49 0.40 0.40 0.97 -0.60 0.00 0.00 178.31 179.96 3jyl h ILE 43 N 0.54 0.93 -0.80 -0.55 -0.00 -1.99 -0.90 117.51 114.75 3jyl h ILE 43 Ca 0.14 -0.16 -0.04 0.00 -0.00 0.00 0.00 64.86 64.80 3jyl h ILE 43 Cb 0.07 0.43 -0.04 0.00 -0.00 0.00 0.00 36.82 37.28 3jyl h ILE 43 CO -0.02 0.08 0.35 0.44 -0.00 0.00 0.00 178.15 179.01 3jyl h ASP 44 N 0.46 1.07 0.49 2.19 3.32 -1.72 -2.28 116.42 119.94 3jyl h ASP 44 Ca 0.27 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 3jyl h ASP 44 Cb 0.45 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3jyl h ASP 44 CO -0.08 0.92 -0.65 0.71 -1.72 0.00 0.00 179.24 178.43 3jyl h THR 45 N 1.14 1.42 -0.37 0.35 1.35 -1.26 -2.23 112.91 113.32 3jyl h THR 45 Ca 0.27 -2.13 -0.09 0.00 -0.55 0.00 0.00 66.41 63.91 3jyl h THR 45 Cb 0.16 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 3jyl h THR 45 CO -0.03 0.62 -0.16 1.88 -0.25 0.00 0.00 175.52 177.59 3jyl h TYR 46 N 0.11 0.75 -0.20 4.73 0.05 -1.02 0.11 116.97 121.50 3jyl h TYR 46 Ca -0.01 -0.14 -0.21 0.00 0.05 0.00 0.00 58.73 58.42 3jyl h TYR 46 Cb 1.16 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 38.72 3jyl h TYR 46 CO 0.01 0.79 -0.70 1.88 -1.05 0.00 0.00 178.16 179.10 3jyl h TYR 47 N 0.61 1.09 -0.51 4.88 0.05 -1.44 0.10 116.97 121.75 3jyl h TYR 47 Ca 0.10 -0.45 -0.06 0.00 0.05 0.00 0.00 58.73 58.37 3jyl h TYR 47 Cb 0.61 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 3jyl h TYR 47 CO 0.03 1.29 0.08 -0.09 -1.05 0.00 0.00 178.16 178.41 3jyl h ARG 48 N 0.58 0.80 0.00 4.88 1.12 -1.13 -2.80 114.38 117.83 3jyl h ARG 48 Ca -0.03 -0.18 -0.01 0.00 -1.11 0.00 0.00 59.98 58.65 3jyl h ARG 48 Cb 1.33 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 31.17 3jyl h ARG 48 CO 0.15 0.75 -0.36 0.66 -3.11 0.00 0.00 179.97 178.05 3jyl h SER 49 N 0.76 0.00 0.00 -3.80 4.64 -0.74 0.37 113.55 114.78 3jyl h SER 49 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3jyl h SER 49 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3jyl h SER 49 CO 0.01 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3jyl n GLY 50 N 1.14 0.71 0.35 -0.77 0.00 -1.06 -3.93 105.19 101.64 3jyl n GLY 50 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 3jyl n GLY 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3jyl h LEU 51 N 0.00 0.92 -8.69 0.99 5.85 -1.28 -3.38 115.31 109.71 3jyl h LEU 51 Ca 0.00 -0.03 -0.69 0.00 0.84 0.00 0.00 57.88 58.00 3jyl h LEU 51 Cb 0.00 -0.23 -0.27 0.00 0.37 0.00 0.00 40.66 40.52 3jyl h LEU 51 CO 0.00 0.68 -0.83 -0.31 -0.34 0.00 0.00 178.44 177.64 3jyl s TYR 52 N -5.86 2.55 0.48 1.25 2.02 -0.74 -5.02 117.35 112.03 3jyl s TYR 52 Ca -0.11 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 55.97 3jyl s TYR 52 Cb 0.18 -1.61 -0.09 0.00 -0.40 0.00 0.00 41.96 40.04 3jyl s TYR 52 CO 0.79 -0.02 0.99 -1.25 -1.57 0.00 0.00 175.55 174.50 3jyl s PRO 53 N -0.45 3.95 -0.09 -1.71 0.04 -1.26 -4.48 135.00 131.01 3jyl s PRO 53 Ca 0.05 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.21 3jyl s PRO 53 Cb -0.12 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3jyl s PRO 53 CO 0.01 -0.28 0.05 0.00 0.04 0.00 0.00 177.00 176.83 3jyl s ALA 54 N -2.27 3.48 0.55 8.56 0.00 -1.26 -5.00 121.76 125.82 3jyl s ALA 54 Ca 0.63 -0.77 0.25 0.00 0.00 0.00 0.00 51.96 52.07 3jyl s ALA 54 Cb -0.12 -1.62 1.47 0.00 0.00 0.00 0.00 23.12 22.85 3jyl s ALA 54 CO 0.22 0.61 2.07 -1.00 0.00 0.00 0.00 175.76 177.65 3jyl h PRO 55 N 4.99 0.00 -2.32 0.00 0.13 -2.00 -3.45 132.00 129.36 3jyl h PRO 55 Ca -0.52 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.75 3jyl h PRO 55 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 3jyl h PRO 55 CO 0.56 0.00 0.49 -0.59 -0.23 0.00 0.00 178.00 178.23 3jyl s PHE 56 N -4.87 -0.26 0.01 1.56 -0.12 -1.26 -5.17 117.98 107.87 3jyl s PHE 56 Ca -0.05 0.05 0.07 0.00 -0.05 0.00 0.00 56.93 56.95 3jyl s PHE 56 Cb 0.17 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 43.13 3jyl s PHE 56 CO 0.64 -0.67 -0.21 -0.51 -0.05 0.00 0.00 175.22 174.42 3jyl s LEU 57 N -2.69 2.09 0.51 -1.99 1.43 -1.26 -3.42 118.68 113.36 3jyl s LEU 57 Ca 0.08 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 3jyl s LEU 57 Cb -0.01 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 3jyl s LEU 57 CO -0.04 0.22 1.21 -2.16 0.23 0.00 0.00 176.35 175.82 3jyl s PRO 58 N -0.77 3.42 0.02 1.29 0.04 -1.26 -5.06 135.00 132.68 3jyl s PRO 58 Ca 0.08 1.88 0.08 0.00 0.04 0.00 0.00 61.00 63.07 3jyl s PRO 58 Cb -0.08 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 3jyl s PRO 58 CO 0.00 -0.86 -0.22 0.45 0.04 0.00 0.00 177.00 176.41 3jyl s SER 59 N -1.35 3.49 1.01 6.66 0.15 0.15 -4.94 113.70 118.87 3jyl s SER 59 Ca 0.69 -0.47 -0.06 0.00 0.70 0.00 0.00 55.95 56.82 3jyl s SER 59 Cb -0.31 -0.48 0.08 0.00 -1.71 0.00 0.00 66.02 63.59 3jyl s SER 59 CO 0.37 0.28 0.44 0.61 1.20 0.00 0.00 173.24 176.13 3jyl n GLY 60 N 1.83 -1.35 3.16 9.45 0.00 -1.26 -1.66 105.19 115.37 3jyl n GLY 60 Ca -0.16 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 3jyl n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jyl s LEU 61 N 0.00 1.77 0.23 0.99 1.43 -1.26 -4.52 118.68 117.32 3jyl s LEU 61 Ca 0.25 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3jyl s LEU 61 Cb -0.01 0.76 0.00 0.00 0.03 0.00 0.00 46.19 46.97 3jyl s LEU 61 CO 0.18 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.69 3jyl n GLY 62 N 0.05 -3.39 0.37 -3.19 0.00 -1.26 -0.24 105.19 97.53 3jyl n GLY 62 Ca -0.15 -1.09 0.03 0.00 0.00 0.00 0.00 46.02 44.81 3jyl n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyl n ALA 63 N -1.68 2.06 -3.31 4.61 0.00 -1.26 0.05 120.51 120.97 3jyl n ALA 63 Ca 0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 53.44 51.71 3jyl n ALA 63 Cb 0.14 -0.46 -0.17 0.00 0.00 0.00 0.00 19.45 18.97 3jyl n ALA 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3jyl s GLU 64 N -0.81 2.45 -0.08 0.00 2.12 -1.26 -2.02 118.70 119.10 3jyl s GLU 64 Ca 0.09 -0.68 -0.31 0.00 0.36 0.00 0.00 54.97 54.43 3jyl s GLU 64 Cb 0.08 -1.90 0.12 0.00 0.26 0.00 0.00 34.13 32.68 3jyl s GLU 64 CO 0.01 0.12 1.38 0.20 -0.54 0.00 0.00 175.26 176.43 3jyl s GLY 65 N 0.47 -0.34 -0.06 -1.50 0.00 -0.04 -0.95 107.32 104.90 3jyl s GLY 65 Ca -0.17 0.52 -0.12 0.00 0.00 0.00 0.00 44.72 44.95 3jyl s GLY 65 CO 0.07 3.39 0.29 0.00 0.00 0.00 0.00 173.10 176.85 3jyl s ALA 66 N -2.06 -0.73 0.00 3.20 0.00 -0.51 -0.65 121.76 121.02 3jyl s ALA 66 Ca 0.23 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.74 3jyl s ALA 66 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3jyl s ALA 66 CO -0.04 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3jyl n GLY 67 N 2.08 1.39 3.57 0.00 0.00 0.05 -0.05 105.19 112.23 3jyl n GLY 67 Ca -0.17 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 3jyl n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jyl s VAL 68 N -2.25 3.60 -0.02 1.61 1.01 -1.18 -0.46 120.40 122.71 3jyl s VAL 68 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3jyl s VAL 68 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3jyl s VAL 68 CO 0.00 0.60 1.34 -0.69 0.00 0.00 0.00 175.10 176.35 3jyl s VAL 69 N -0.80 3.88 -0.17 2.92 1.01 0.62 -0.15 120.40 127.72 3jyl s VAL 69 Ca 0.12 1.24 0.14 0.00 0.00 0.00 0.00 61.98 63.48 3jyl s VAL 69 Cb -0.11 -3.80 -0.20 0.00 0.00 0.00 0.00 36.38 32.27 3jyl s VAL 69 CO 0.01 -0.01 0.04 1.21 0.00 0.00 0.00 175.10 176.35 3jyl n GLU 70 N 5.38 1.19 -3.73 2.72 2.13 0.78 0.13 120.64 129.24 3jyl n GLU 70 Ca 0.13 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.83 3jyl n GLU 70 Cb 0.44 -1.43 -0.07 0.00 0.27 0.00 0.00 31.44 30.65 3jyl n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3jyl s ALA 71 N -2.41 -0.75 0.04 4.31 0.00 -1.20 -4.89 121.76 116.85 3jyl s ALA 71 Ca -0.10 0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3jyl s ALA 71 Cb 0.05 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 3jyl s ALA 71 CO 0.67 -0.43 -0.06 0.54 0.00 0.00 0.00 175.76 176.48 3jyl s VAL 72 N -2.62 0.35 0.73 0.00 0.11 -1.26 -0.56 120.40 117.16 3jyl s VAL 72 Ca -0.04 -1.08 -0.11 0.00 -2.93 0.00 0.00 61.98 57.81 3jyl s VAL 72 Cb -0.01 -0.56 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 3jyl s VAL 72 CO -0.04 -0.48 1.08 -0.83 -3.33 0.00 0.00 175.10 171.50 3jyl s GLY 73 N -1.66 1.70 0.48 6.54 0.00 -0.45 -4.93 107.32 109.01 3jyl s GLY 73 Ca -0.11 0.21 0.14 0.00 0.00 0.00 0.00 44.72 44.97 3jyl s GLY 73 CO -0.01 0.54 2.08 -0.55 0.00 0.00 0.00 173.10 175.17 3jyl h ASP 74 N -0.88 0.18 -0.08 1.64 3.32 -1.76 -2.10 116.42 116.73 3jyl h ASP 74 Ca -0.44 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3jyl h ASP 74 Cb 1.22 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3jyl h ASP 74 CO 0.54 0.13 0.00 -0.62 -1.72 0.00 0.00 179.24 177.56 3jyl n GLU 75 N -4.49 1.94 -2.83 3.56 1.02 -0.46 -4.91 120.64 114.45 3jyl n GLU 75 Ca 0.02 -1.38 -0.41 0.00 -0.02 0.00 0.00 57.16 55.37 3jyl n GLU 75 Cb 0.18 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 3jyl n GLU 75 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3jyl s VAL 76 N -1.92 4.89 0.00 2.62 1.01 -0.79 -4.88 120.40 121.33 3jyl s VAL 76 Ca 0.34 1.78 0.00 0.00 0.00 0.00 0.00 61.98 64.11 3jyl s VAL 76 Cb 0.20 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3jyl s VAL 76 CO 0.31 0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.85 3jyl n THR 77 N 4.33 0.00 0.16 3.92 -2.24 -1.26 -4.74 114.28 114.45 3jyl n THR 77 Ca 0.05 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.83 3jyl n THR 77 Cb 0.50 -0.27 0.27 0.00 -2.10 0.00 0.00 70.33 68.72 3jyl n THR 77 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3jyl h ARG 78 N 0.00 0.00 -6.09 -0.78 2.43 -2.01 -3.45 114.38 104.48 3jyl h ARG 78 Ca 0.00 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.57 3jyl h ARG 78 Cb 0.51 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.92 3jyl h ARG 78 CO 0.00 0.49 -0.73 -0.06 -1.51 0.00 0.00 179.97 178.16 3jyl s PHE 79 N -3.89 2.29 0.12 2.20 0.08 -1.26 -5.08 117.98 112.44 3jyl s PHE 79 Ca -0.02 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 3jyl s PHE 79 Cb 0.13 -1.09 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 3jyl s PHE 79 CO 0.74 0.66 0.29 -1.59 -0.10 0.00 0.00 175.22 175.22 3jyl s LYS 80 N -3.55 0.99 0.22 0.44 -2.85 -1.26 -4.99 119.74 108.75 3jyl s LYS 80 Ca 0.30 -0.90 -0.32 0.00 -1.00 0.00 0.00 55.97 54.06 3jyl s LYS 80 Cb -0.03 0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 36.00 3jyl s LYS 80 CO 0.15 -0.36 1.33 0.28 0.10 0.00 0.00 175.35 176.85 3jyl n VAL 81 N -0.15 0.94 0.00 1.79 0.31 -1.26 -1.60 118.33 118.35 3jyl n VAL 81 Ca -0.14 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3jyl n VAL 81 Cb 0.63 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 3jyl n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jyl n GLY 82 N 2.11 2.18 3.77 2.92 0.00 0.12 -4.95 105.19 111.34 3jyl n GLY 82 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3jyl n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jyl s ASP 83 N -1.69 6.39 -0.25 1.61 1.01 -0.63 -4.53 116.67 118.58 3jyl s ASP 83 Ca 0.00 2.92 -0.18 0.00 0.71 0.00 0.00 52.55 56.00 3jyl s ASP 83 Cb 0.00 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 3jyl s ASP 83 CO 0.00 -0.83 0.50 -0.13 0.21 0.00 0.00 175.17 174.92 3jyl s ARG 84 N -2.08 4.08 0.18 8.23 0.52 -1.26 -0.28 118.95 128.35 3jyl s ARG 84 Ca 0.53 0.31 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 3jyl s ARG 84 Cb -0.44 -3.64 -0.05 0.00 0.52 0.00 0.00 34.95 31.35 3jyl s ARG 84 CO 0.59 -0.31 -0.07 0.14 0.02 0.00 0.00 175.30 175.67 3jyl s VAL 85 N 2.16 1.15 0.04 3.52 -7.23 0.40 -1.37 120.40 119.07 3jyl s VAL 85 Ca 0.21 -2.06 -0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3jyl s VAL 85 Cb -0.16 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 3jyl s VAL 85 CO 0.09 -0.59 -0.04 0.00 -0.31 0.00 0.00 175.10 174.26 3jyl s ALA 86 N -3.34 0.39 -0.02 1.32 0.00 -0.70 -0.77 121.76 118.63 3jyl s ALA 86 Ca 0.21 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 3jyl s ALA 86 Cb 0.03 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.39 3jyl s ALA 86 CO 0.04 -0.26 0.39 1.52 0.00 0.00 0.00 175.76 177.45 3jyl s TYR 87 N -2.77 -0.28 0.00 0.00 -0.85 0.18 -1.93 117.35 111.69 3jyl s TYR 87 Ca -0.03 0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.97 3jyl s TYR 87 Cb -0.00 0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.50 3jyl s TYR 87 CO -0.05 -0.44 0.52 0.41 -1.52 0.00 0.00 175.55 174.47 3jyl n GLY 88 N 1.18 -0.86 3.30 5.49 0.00 -1.23 -0.86 105.19 112.21 3jyl n GLY 88 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3jyl n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jyl s THR 89 N -0.22 0.03 -0.56 2.61 -4.23 -0.86 -4.64 115.64 107.77 3jyl s THR 89 Ca 0.00 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3jyl s THR 89 Cb 0.00 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.59 3jyl s THR 89 CO 0.00 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 3jyl n GLY 90 N -0.26 0.30 3.74 3.99 0.00 -1.26 -4.86 105.19 106.84 3jyl n GLY 90 Ca -0.02 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 3jyl n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jyl s PRO 91 N -0.22 1.66 0.61 1.61 0.04 -1.26 -4.86 135.00 132.57 3jyl s PRO 91 Ca 0.00 0.96 -0.18 0.00 0.04 0.00 0.00 61.00 61.81 3jyl s PRO 91 Cb 0.00 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 3jyl s PRO 91 CO 0.00 -2.00 1.22 -0.51 0.04 0.00 0.00 177.00 175.75 3jyl s LEU 92 N -6.10 3.63 0.00 -3.56 2.01 -1.26 -4.60 118.68 108.81 3jyl s LEU 92 Ca 0.62 2.42 0.00 0.00 0.01 0.00 0.00 54.13 57.19 3jyl s LEU 92 Cb -0.18 -4.60 0.00 0.00 0.01 0.00 0.00 46.19 41.42 3jyl s LEU 92 CO 0.57 -1.69 0.00 0.61 1.01 0.00 0.00 176.35 176.84 3jyl n GLY 93 N 0.55 -0.52 0.27 -3.19 0.00 -0.41 -4.73 105.19 97.15 3jyl n GLY 93 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 3jyl n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyl h ALA 94 N 0.00 1.95 0.00 4.61 0.00 0.24 -3.25 119.26 122.81 3jyl h ALA 94 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 3jyl h ALA 94 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3jyl h ALA 94 CO 0.00 -0.01 2.51 0.66 0.00 0.00 0.00 179.25 182.41 3jyl n TYR 95 N -4.45 1.43 -3.83 0.00 4.02 0.67 -4.75 117.16 110.25 3jyl n TYR 95 Ca -0.03 -2.12 -0.07 0.00 -0.01 0.00 0.00 57.90 55.66 3jyl n TYR 95 Cb 0.09 -1.83 -0.02 0.00 -0.02 0.00 0.00 39.34 37.57 3jyl n TYR 95 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3jyl s SER 96 N 2.89 -0.28 0.32 7.72 1.04 -1.23 -0.29 113.70 123.87 3jyl s SER 96 Ca 0.49 -0.58 0.24 0.00 0.48 0.00 0.00 55.95 56.58 3jyl s SER 96 Cb 0.14 0.72 0.39 0.00 0.10 0.00 0.00 66.02 67.36 3jyl s SER 96 CO -0.04 -1.32 1.52 1.05 0.98 0.00 0.00 173.24 175.44 3jyl h GLU 97 N 2.01 0.00 -4.27 4.02 4.11 -1.78 -3.42 114.58 115.25 3jyl h GLU 97 Ca -0.20 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.73 3jyl h GLU 97 Cb 1.25 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.15 3jyl h GLU 97 CO 0.24 0.00 -0.80 0.08 0.07 0.00 0.00 179.01 178.60 3jyl s VAL 98 N -3.21 0.95 -0.07 -1.06 1.01 -1.26 -1.95 120.40 114.81 3jyl s VAL 98 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3jyl s VAL 98 Cb 0.08 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.54 3jyl s VAL 98 CO 0.68 0.34 -0.13 -2.28 0.00 0.00 0.00 175.10 173.71 3jyl s HIS 99 N 1.26 1.49 -0.18 5.22 2.46 -0.90 -4.97 115.29 119.67 3jyl s HIS 99 Ca -0.04 -0.55 -0.03 0.00 0.47 0.00 0.00 55.06 54.92 3jyl s HIS 99 Cb -0.14 -1.09 -0.01 0.00 -0.13 0.00 0.00 32.58 31.21 3jyl s HIS 99 CO -0.03 -0.28 -0.07 0.08 -2.47 0.00 0.00 174.74 171.98 3jyl s VAL 100 N 0.65 3.38 0.15 0.89 1.01 -1.26 -0.65 120.40 124.56 3jyl s VAL 100 Ca -0.15 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 3jyl s VAL 100 Cb -0.16 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.74 3jyl s VAL 100 CO 0.04 0.47 0.33 -1.48 0.00 0.00 0.00 175.10 174.45 3jyl s LEU 101 N 0.94 0.80 0.73 3.92 2.34 -0.95 -4.93 118.68 121.53 3jyl s LEU 101 Ca -0.01 -0.66 -0.16 0.00 0.06 0.00 0.00 54.13 53.37 3jyl s LEU 101 Cb -0.15 1.45 0.03 0.00 -0.56 0.00 0.00 46.19 46.97 3jyl s LEU 101 CO 0.00 -0.88 1.17 -2.65 -1.06 0.00 0.00 176.35 172.93 3jyl n PRO 102 N -0.21 0.57 0.21 1.48 -0.02 -1.26 -0.84 135.00 134.94 3jyl n PRO 102 Ca -0.11 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 61.70 3jyl n PRO 102 Cb 0.63 -2.41 0.47 0.00 -0.02 0.00 0.00 33.50 32.17 3jyl n PRO 102 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3jyl h GLU 103 N -0.27 0.00 0.00 -0.52 4.11 -1.51 -2.99 114.58 113.41 3jyl h GLU 103 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3jyl h GLU 103 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3jyl h GLU 103 CO 0.48 0.28 0.00 0.00 0.07 0.00 0.00 179.01 179.85 3jyl h ALA 104 N 1.72 1.00 -0.02 1.06 0.00 -1.90 -1.85 119.26 119.26 3jyl h ALA 104 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jyl h ALA 104 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3jyl h ALA 104 CO 0.04 0.00 -0.06 0.09 0.00 0.00 0.00 179.25 179.32 3jyl n ASN 105 N -2.90 2.06 -4.70 0.00 4.13 -1.13 -3.91 115.26 108.82 3jyl n ASN 105 Ca -0.02 -1.63 -0.33 0.00 1.68 0.00 0.00 54.58 54.28 3jyl n ASN 105 Cb 0.12 0.05 -0.09 0.00 -1.54 0.00 0.00 39.78 38.33 3jyl n ASN 105 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3jyl s LEU 106 N -2.08 3.61 0.11 3.41 2.96 -0.70 -4.41 118.68 121.59 3jyl s LEU 106 Ca 0.31 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.35 3jyl s LEU 106 Cb 0.20 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3jyl s LEU 106 CO 0.36 0.31 -0.14 0.68 -1.32 0.00 0.00 176.35 176.24 3jyl s VAL 107 N -1.04 1.27 0.19 1.68 -7.23 -0.81 -5.01 120.40 109.45 3jyl s VAL 107 Ca 0.18 -1.67 -0.28 0.00 -1.81 0.00 0.00 61.98 58.40 3jyl s VAL 107 Cb -0.12 -1.47 -0.08 0.00 0.56 0.00 0.00 36.38 35.27 3jyl s VAL 107 CO 0.08 -0.42 0.86 -0.54 -0.31 0.00 0.00 175.10 174.78 3jyl s LYS 108 N -2.61 4.71 -0.19 4.82 1.02 -1.26 -1.73 119.74 124.50 3jyl s LYS 108 Ca 0.08 1.33 -0.12 0.00 0.02 0.00 0.00 55.97 57.27 3jyl s LYS 108 Cb -0.05 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 3jyl s LYS 108 CO 0.03 0.52 0.20 -0.51 -0.92 0.00 0.00 175.35 174.67 3jyl s LEU 109 N -1.08 4.21 0.74 3.17 1.43 -0.47 -4.87 118.68 121.81 3jyl s LEU 109 Ca 0.39 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.68 3jyl s LEU 109 Cb -0.24 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.81 3jyl s LEU 109 CO 0.29 0.12 1.12 0.00 0.23 0.00 0.00 176.35 178.12 3jyl s ALA 110 N 0.54 2.21 0.41 4.21 0.00 -1.26 -4.80 121.76 123.07 3jyl s ALA 110 Ca 0.11 0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.66 3jyl s ALA 110 Cb -0.12 -3.34 0.85 0.00 0.00 0.00 0.00 23.12 20.51 3jyl s ALA 110 CO 0.01 -1.73 2.04 -0.44 0.00 0.00 0.00 175.76 175.64 3jyl h ASP 111 N -0.66 0.44 0.26 0.00 3.45 -1.98 -2.59 116.42 115.35 3jyl h ASP 111 Ca -0.45 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 56.98 3jyl h ASP 111 Cb 1.25 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.91 3jyl h ASP 111 CO 0.51 0.35 -0.00 0.77 -1.57 0.00 0.00 179.24 179.29 3jyl h SER 112 N 0.51 0.00 -3.43 6.45 4.64 -2.05 -3.41 113.55 116.26 3jyl h SER 112 Ca 0.13 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.82 3jyl h SER 112 Cb -0.00 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.89 3jyl h SER 112 CO -0.02 0.00 -0.61 0.54 -0.87 0.00 0.00 176.83 175.87 3jyl s VAL 113 N -4.04 4.41 0.66 0.95 0.11 -0.98 -5.09 120.40 116.42 3jyl s VAL 113 Ca -0.03 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 58.75 3jyl s VAL 113 Cb 0.12 -3.00 -0.01 0.00 -1.53 0.00 0.00 36.38 31.96 3jyl s VAL 113 CO 0.45 0.42 1.06 -0.94 -3.33 0.00 0.00 175.10 172.76 3jyl s SER 114 N 0.82 5.76 0.27 3.54 1.04 -1.26 -4.76 113.70 119.11 3jyl s SER 114 Ca 0.02 1.21 -0.03 0.00 0.48 0.00 0.00 55.95 57.64 3jyl s SER 114 Cb -0.14 -2.13 0.35 0.00 0.10 0.00 0.00 66.02 64.21 3jyl s SER 114 CO 0.02 -1.13 1.82 -0.26 0.98 0.00 0.00 173.24 174.67 3jyl h PHE 115 N -0.49 0.93 -0.50 5.02 0.04 -1.97 -1.60 116.94 118.38 3jyl h PHE 115 Ca -0.45 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.20 3jyl h PHE 115 Cb 1.23 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 3jyl h PHE 115 CO 0.56 0.76 0.15 0.93 -0.60 0.00 0.00 178.31 180.11 3jyl h GLU 116 N 0.88 0.78 -0.57 1.51 3.07 -1.93 -0.89 114.58 117.43 3jyl h GLU 116 Ca 0.20 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 3jyl h GLU 116 Cb 0.27 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 3jyl h GLU 116 CO -0.01 0.73 0.25 1.96 -1.40 0.00 0.00 179.01 180.55 3jyl h GLN 117 N 0.68 0.83 -0.72 2.33 4.20 -1.84 -2.16 115.11 118.43 3jyl h GLN 117 Ca 0.16 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3jyl h GLN 117 Cb 0.28 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3jyl h GLN 117 CO -0.00 0.69 0.19 0.00 -0.67 0.00 0.00 178.83 179.04 3jyl h ALA 118 N 1.09 0.98 0.00 3.87 0.00 -1.14 -1.91 119.26 122.16 3jyl h ALA 118 Ca 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3jyl h ALA 118 Cb 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3jyl h ALA 118 CO -0.02 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.77 3jyl h ALA 119 N 1.12 1.05 -0.76 0.00 0.00 -0.97 0.08 119.26 119.78 3jyl h ALA 119 Ca 0.23 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.49 3jyl h ALA 119 Cb 0.35 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.78 3jyl h ALA 119 CO -0.00 0.16 -0.23 0.00 0.00 0.00 0.00 179.25 179.18 3jyl n ALA 120 N -2.18 5.30 0.00 0.00 0.00 -0.83 -4.12 120.51 118.68 3jyl n ALA 120 Ca -0.00 -3.61 0.00 0.00 0.00 0.00 0.00 53.44 49.83 3jyl n ALA 120 Cb 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3jyl n ALA 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3jyl n LEU 121 N -0.83 0.00 0.00 0.00 7.94 -0.77 -4.95 117.00 118.39 3jyl n LEU 121 Ca 0.48 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 3jyl n LEU 121 Cb 0.89 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.84 3jyl n LEU 121 CO 0.48 0.00 0.40 0.23 -1.11 0.00 0.00 177.39 177.39 3jyl n MET 122 N -0.99 0.00 -0.00 1.96 2.81 -0.03 -0.64 117.12 120.23 3jyl n MET 122 Ca 0.00 0.49 -0.12 0.00 -1.81 0.00 0.00 57.70 56.25 3jyl n MET 122 Cb 0.00 -1.30 -0.08 0.00 -0.71 0.00 0.00 33.22 31.13 3jyl n MET 122 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3jyl h LEU 123 N 0.00 0.05 -0.66 4.03 6.46 -1.84 0.08 115.31 123.43 3jyl h LEU 123 Ca 0.00 -0.26 -0.09 0.00 -0.12 0.00 0.00 57.88 57.41 3jyl h LEU 123 Cb 0.00 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 3jyl h LEU 123 CO 0.00 0.30 0.02 0.11 -0.62 0.00 0.00 178.44 178.25 3jyl h LYS 124 N -0.20 1.07 -0.23 1.25 6.56 -1.95 -1.67 116.57 121.41 3jyl h LYS 124 Ca 0.01 -0.33 -0.01 0.00 -1.06 0.00 0.00 60.65 59.27 3jyl h LYS 124 Cb 0.27 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 3jyl h LYS 124 CO 0.00 1.03 0.11 0.78 -2.06 0.00 0.00 179.45 179.31 3jyl h GLY 125 N 1.01 0.34 1.53 3.86 0.00 -0.71 -0.47 103.07 108.63 3jyl h GLY 125 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3jyl h GLY 125 CO 0.03 0.16 -0.09 1.41 0.00 0.00 0.00 176.54 178.04 3jyl h LEU 126 N 0.24 0.55 -0.06 3.11 3.38 -0.91 0.17 115.31 121.78 3jyl h LEU 126 Ca 0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3jyl h LEU 126 Cb 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3jyl h LEU 126 CO -0.01 0.68 0.03 0.74 0.09 0.00 0.00 178.44 179.97 3jyl h THR 127 N 0.53 1.08 -0.71 0.22 2.02 -0.98 -1.41 112.91 113.66 3jyl h THR 127 Ca 0.10 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 3jyl h THR 127 Cb 0.47 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3jyl h THR 127 CO 0.03 0.07 0.24 0.58 0.37 0.00 0.00 175.52 176.80 3jyl h VAL 128 N -0.00 1.25 -0.05 3.16 2.07 -0.78 -0.63 116.25 121.26 3jyl h VAL 128 Ca 0.02 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.71 3jyl h VAL 128 Cb 0.08 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3jyl h VAL 128 CO -0.00 0.33 -0.02 -0.61 0.02 0.00 0.00 177.57 177.29 3jyl h GLN 129 N 1.04 -0.01 -0.16 1.57 5.75 -0.70 -0.43 115.11 122.18 3jyl h GLN 129 Ca 0.23 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.60 3jyl h GLN 129 Cb 0.26 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3jyl h GLN 129 CO -0.01 -0.00 -0.46 0.10 -2.65 0.00 0.00 178.83 175.81 3jyl h TYR 130 N -0.01 0.48 -0.37 3.99 -0.00 -0.81 0.09 116.97 120.35 3jyl h TYR 130 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 58.73 58.60 3jyl h TYR 130 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 36.66 3jyl h TYR 130 CO -0.12 0.79 0.19 -0.07 -0.00 0.00 0.00 178.16 178.94 3jyl h LEU 131 N 0.33 0.48 0.00 0.10 3.38 -0.85 0.46 115.31 119.21 3jyl h LEU 131 Ca 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3jyl h LEU 131 Cb 0.93 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3jyl h LEU 131 CO 0.08 0.47 -1.04 0.18 0.09 0.00 0.00 178.44 178.21 3jyl n LEU 132 N -4.72 0.68 -0.04 1.67 4.77 -0.19 -3.15 117.00 116.01 3jyl n LEU 132 Ca -0.00 0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 56.13 3jyl n LEU 132 Cb 0.10 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 3jyl n LEU 132 CO 0.36 -0.09 -0.78 0.54 -1.33 0.00 0.00 177.39 176.09 3jyl n ARG 133 N -2.35 2.12 -0.02 3.23 5.12 0.01 -2.27 116.66 122.51 3jyl n ARG 133 Ca 0.01 -0.02 -0.07 0.00 -1.93 0.00 0.00 57.85 55.84 3jyl n ARG 133 Cb 0.50 -1.25 -0.02 0.00 -1.16 0.00 0.00 32.46 30.54 3jyl n ARG 133 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3jyl n GLN 134 N -2.28 0.18 -0.31 5.56 6.02 -0.15 -4.40 117.38 122.01 3jyl n GLN 134 Ca -0.14 0.08 0.02 0.00 -0.01 0.00 0.00 57.00 56.95 3jyl n GLN 134 Cb 0.73 -0.80 0.21 0.00 1.02 0.00 0.00 30.24 31.39 3jyl n GLN 134 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3jyl h THR 135 N -0.32 1.15 -2.60 5.09 2.02 -0.31 -3.39 112.91 114.55 3jyl h THR 135 Ca -0.13 -0.38 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 3jyl h THR 135 Cb 0.83 -0.07 -0.27 0.00 -1.74 0.00 0.00 68.15 66.90 3jyl h THR 135 CO -0.08 0.20 -0.33 -0.47 0.37 0.00 0.00 175.52 175.21 3jyl s TYR 136 N -5.95 -0.67 -0.90 3.16 6.14 -1.19 -5.08 117.35 112.86 3jyl s TYR 136 Ca -0.12 1.37 -0.24 0.00 0.64 0.00 0.00 57.07 58.72 3jyl s TYR 136 Cb 0.19 0.27 0.05 0.00 0.42 0.00 0.00 41.96 42.89 3jyl s TYR 136 CO 0.80 -0.40 1.33 -0.65 0.64 0.00 0.00 175.55 177.28 3jyl s GLN 137 N 1.91 3.43 0.07 4.97 -0.21 -1.26 -3.85 119.66 124.72 3jyl s GLN 137 Ca -0.06 -0.86 -0.31 0.00 0.02 0.00 0.00 55.36 54.15 3jyl s GLN 137 Cb -0.10 -4.86 -0.07 0.00 1.00 0.00 0.00 33.01 28.98 3jyl s GLN 137 CO -0.13 -2.13 1.42 0.14 -2.12 0.00 0.00 175.29 172.48 3jyl s VAL 138 N 4.98 3.42 0.24 1.09 -7.23 -0.96 -4.99 120.40 116.94 3jyl s VAL 138 Ca 0.40 0.94 0.01 0.00 -1.81 0.00 0.00 61.98 61.51 3jyl s VAL 138 Cb -0.04 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 3jyl s VAL 138 CO -0.00 0.04 0.41 -0.54 -0.31 0.00 0.00 175.10 174.70 3jyl s LYS 139 N 1.75 3.49 0.47 4.82 -0.14 -1.26 -5.00 119.74 123.87 3jyl s LYS 139 Ca 0.65 -0.43 -0.25 0.00 -1.36 0.00 0.00 55.97 54.59 3jyl s LYS 139 Cb -0.35 -2.82 -0.08 0.00 -1.68 0.00 0.00 37.83 32.91 3jyl s LYS 139 CO 0.29 0.36 1.42 -2.14 -0.76 0.00 0.00 175.35 174.51 3jyl s PRO 140 N -3.66 3.58 0.00 -1.68 0.02 -1.24 -2.30 135.00 129.71 3jyl s PRO 140 Ca 0.38 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.78 3jyl s PRO 140 Cb -0.10 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.84 3jyl s PRO 140 CO 0.30 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3jyl n GLY 141 N 0.61 2.77 3.78 0.52 0.00 0.32 -4.91 105.19 108.27 3jyl n GLY 141 Ca 0.06 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3jyl n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jyl s GLU 142 N 0.00 4.09 -0.32 1.61 2.02 -0.97 -4.36 118.70 120.77 3jyl s GLU 142 Ca 0.00 2.60 -0.12 0.00 0.02 0.00 0.00 54.97 57.46 3jyl s GLU 142 Cb 0.00 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 3jyl s GLU 142 CO 0.00 -0.56 0.22 0.42 0.02 0.00 0.00 175.26 175.36 3jyl s ILE 143 N -1.04 5.27 0.16 -1.63 1.01 -1.26 -0.09 121.20 123.63 3jyl s ILE 143 Ca 0.54 -0.12 0.11 0.00 0.00 0.00 0.00 60.65 61.18 3jyl s ILE 143 Cb -0.47 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3jyl s ILE 143 CO 0.63 0.06 -0.24 0.27 0.00 0.00 0.00 174.94 175.65 3jyl s ILE 144 N 1.73 2.21 -0.16 2.92 -4.36 -0.04 -3.99 121.20 119.51 3jyl s ILE 144 Ca 0.06 -1.87 -0.07 0.00 -0.26 0.00 0.00 60.65 58.51 3jyl s ILE 144 Cb -0.17 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 3jyl s ILE 144 CO 0.11 -0.05 0.07 -0.22 0.24 0.00 0.00 174.94 175.09 3jyl s LEU 145 N -2.36 3.90 -0.15 0.37 2.96 -1.09 0.60 118.68 122.90 3jyl s LEU 145 Ca 0.16 0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 3jyl s LEU 145 Cb -0.09 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.69 3jyl s LEU 145 CO 0.08 0.25 0.06 0.12 -1.32 0.00 0.00 176.35 175.53 3jyl s PHE 146 N -0.07 0.53 0.55 5.38 2.19 0.10 0.04 117.98 126.70 3jyl s PHE 146 Ca 0.07 -0.43 -0.19 0.00 0.33 0.00 0.00 56.93 56.71 3jyl s PHE 146 Cb -0.12 -0.80 -0.06 0.00 -1.31 0.00 0.00 43.02 40.73 3jyl s PHE 146 CO 0.01 -0.49 1.12 -1.01 1.83 0.00 0.00 175.22 176.68 3jyl s HIS 147 N 2.02 2.70 -1.30 10.12 3.76 -0.79 -2.10 115.29 129.71 3jyl s HIS 147 Ca 0.02 1.55 -0.03 0.00 -0.15 0.00 0.00 55.06 56.44 3jyl s HIS 147 Cb -0.16 -3.26 -0.00 0.00 1.11 0.00 0.00 32.58 30.27 3jyl s HIS 147 CO -0.08 -1.52 0.65 0.00 -0.85 0.00 0.00 174.74 172.95 3jyl n ALA 148 N -1.39 -2.11 0.29 -1.40 0.00 -0.72 -4.74 120.51 110.45 3jyl n ALA 148 Ca 0.11 -0.19 0.17 0.00 0.00 0.00 0.00 53.44 53.54 3jyl n ALA 148 Cb 0.51 -2.29 0.86 0.00 0.00 0.00 0.00 19.45 18.53 3jyl n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jyl h ALA 149 N 0.81 1.00 -0.02 0.00 0.00 -1.17 -2.35 119.26 117.53 3jyl h ALA 149 Ca -0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3jyl h ALA 149 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3jyl h ALA 149 CO 0.56 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3jyl n ALA 150 N -1.97 2.51 -1.24 0.00 0.00 -1.26 -1.63 120.51 116.92 3jyl n ALA 150 Ca -0.01 -0.58 -0.06 0.00 0.00 0.00 0.00 53.44 52.80 3jyl n ALA 150 Cb 0.14 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.66 3jyl n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyl n GLY 151 N 1.27 -1.23 0.16 0.00 0.00 -0.88 -4.55 105.19 99.95 3jyl n GLY 151 Ca 0.16 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 3jyl n GLY 151 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jyl h GLY 152 N -0.46 -0.17 0.76 -0.02 0.00 -1.91 0.13 103.07 101.40 3jyl h GLY 152 Ca -0.11 0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 3jyl h GLY 152 CO 0.08 -0.12 -0.52 -2.08 0.00 0.00 0.00 176.54 173.90 3jyl h VAL 153 N -0.21 1.43 -0.96 4.60 2.07 -1.91 -3.31 116.25 117.96 3jyl h VAL 153 Ca 0.03 -1.98 0.02 0.00 0.82 0.00 0.00 66.70 65.60 3jyl h VAL 153 Cb 0.25 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 3jyl h VAL 153 CO -0.10 0.58 0.63 1.23 0.02 0.00 0.00 177.57 179.93 3jyl h GLY 154 N -0.10 1.38 1.01 2.17 0.00 -1.66 0.74 103.07 106.60 3jyl h GLY 154 Ca -0.06 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.79 3jyl h GLY 154 CO 0.10 0.44 0.44 1.76 0.00 0.00 0.00 176.54 179.29 3jyl h SER 155 N 1.25 0.78 -0.62 0.19 0.02 0.23 0.29 113.55 115.69 3jyl h SER 155 Ca 0.37 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.20 3jyl h SER 155 Cb -0.06 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3jyl h SER 155 CO -0.10 0.57 0.03 -0.07 -1.14 0.00 0.00 176.83 176.13 3jyl h LEU 156 N 0.92 1.05 -0.97 5.07 -0.00 -1.47 -2.63 115.31 117.28 3jyl h LEU 156 Ca 0.25 -0.28 0.01 0.00 -0.00 0.00 0.00 57.88 57.85 3jyl h LEU 156 Cb -0.10 -0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 40.23 3jyl h LEU 156 CO -0.05 1.08 0.64 0.00 -0.00 0.00 0.00 178.44 180.10 3jyl h ALA 157 N 1.03 1.23 -0.72 1.53 0.00 0.26 -1.21 119.26 121.39 3jyl h ALA 157 Ca 0.18 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3jyl h ALA 157 Cb 0.52 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3jyl h ALA 157 CO 0.02 0.63 0.47 0.00 0.00 0.00 0.00 179.25 180.38 3jyl h GLN 159 N 0.94 0.71 -0.34 0.00 4.20 -1.24 -2.70 115.11 116.69 3jyl h GLN 159 Ca 0.28 -0.39 -0.14 0.00 0.06 0.00 0.00 58.65 58.45 3jyl h GLN 159 Cb -0.06 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3jyl h GLN 159 CO -0.08 1.01 -0.37 2.35 -0.67 0.00 0.00 178.83 181.07 3jyl h TRP 160 N 0.45 0.93 -0.50 2.96 2.91 -1.08 -1.84 115.95 119.78 3jyl h TRP 160 Ca 0.04 -0.27 -0.02 0.00 1.13 0.00 0.00 58.89 59.77 3jyl h TRP 160 Cb 0.90 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 29.32 3jyl h TRP 160 CO 0.07 1.03 0.23 0.00 -1.03 0.00 0.00 178.44 178.75 3jyl h ALA 161 N 0.93 0.65 -0.71 2.65 0.00 -1.06 0.36 119.26 122.07 3jyl h ALA 161 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jyl h ALA 161 Cb 0.92 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3jyl h ALA 161 CO 0.08 0.22 0.44 -0.22 0.00 0.00 0.00 179.25 179.78 3jyl h LYS 162 N 0.66 0.95 -0.48 0.00 3.64 -1.26 -0.98 116.57 119.11 3jyl h LYS 162 Ca 0.17 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3jyl h LYS 162 Cb 0.14 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3jyl h LYS 162 CO -0.02 0.66 0.08 0.00 -2.27 0.00 0.00 179.45 177.90 3jyl h ALA 163 N 1.24 1.24 0.00 5.00 0.00 -0.88 -0.75 119.26 125.11 3jyl h ALA 163 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3jyl h ALA 163 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3jyl h ALA 163 CO -0.05 0.52 0.00 -0.07 0.00 0.00 0.00 179.25 179.65 3jyl h LEU 164 N 0.72 0.00 0.00 0.00 4.07 0.30 -3.46 115.31 116.93 3jyl h LEU 164 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3jyl h LEU 164 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3jyl h LEU 164 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 3jyl n GLY 165 N 0.06 0.39 3.85 0.83 0.00 -0.29 -3.72 105.19 106.31 3jyl n GLY 165 Ca 0.02 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 3jyl n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyl s ALA 166 N -2.00 3.67 -0.51 4.61 0.00 -0.53 0.12 121.76 127.11 3jyl s ALA 166 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 3jyl s ALA 166 Cb 0.00 -1.43 0.13 0.00 0.00 0.00 0.00 23.12 21.82 3jyl s ALA 166 CO 0.00 0.36 0.43 0.15 0.00 0.00 0.00 175.76 176.70 3jyl s LYS 167 N -3.56 2.74 -0.16 0.00 1.02 0.87 -4.39 119.74 116.25 3jyl s LYS 167 Ca 0.33 -1.77 -0.20 0.00 0.02 0.00 0.00 55.97 54.35 3jyl s LYS 167 Cb -0.09 -4.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.08 3jyl s LYS 167 CO 0.25 -1.26 0.58 -1.17 -0.92 0.00 0.00 175.35 172.83 3jyl s LEU 168 N 1.42 4.19 -0.37 3.17 0.20 -1.26 -0.86 118.68 125.18 3jyl s LEU 168 Ca 0.05 0.83 -0.13 0.00 0.69 0.00 0.00 54.13 55.57 3jyl s LEU 168 Cb -0.27 -2.82 0.01 0.00 -0.43 0.00 0.00 46.19 42.68 3jyl s LEU 168 CO 0.01 -0.17 0.24 -0.63 -0.29 0.00 0.00 176.35 175.51 3jyl s ILE 169 N 1.42 4.95 -0.15 6.68 1.01 0.20 -1.82 121.20 133.49 3jyl s ILE 169 Ca 0.28 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 3jyl s ILE 169 Cb -0.16 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3jyl s ILE 169 CO 0.11 -0.18 0.05 -0.83 0.00 0.00 0.00 174.94 174.09 3jyl s GLY 170 N 1.64 1.92 0.02 6.18 0.00 -0.80 -0.72 107.32 115.55 3jyl s GLY 170 Ca 0.04 -0.75 -0.15 0.00 0.00 0.00 0.00 44.72 43.86 3jyl s GLY 170 CO 0.08 -0.14 0.44 -0.51 0.00 0.00 0.00 173.10 172.97 3jyl s THR 171 N -0.08 4.99 0.14 0.90 -4.23 -0.89 -1.29 115.64 115.17 3jyl s THR 171 Ca 0.06 0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 61.42 3jyl s THR 171 Cb -0.12 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 3jyl s THR 171 CO 0.01 0.53 0.06 0.68 -0.54 0.00 0.00 174.62 175.36 3jyl s VAL 172 N -1.13 0.15 -1.98 2.29 -7.23 -0.41 -1.03 120.40 111.05 3jyl s VAL 172 Ca 0.26 -1.92 0.19 0.00 -1.81 0.00 0.00 61.98 58.70 3jyl s VAL 172 Cb -0.17 -2.09 0.37 0.00 0.56 0.00 0.00 36.38 35.06 3jyl s VAL 172 CO 0.15 -0.43 1.31 -1.54 -0.31 0.00 0.00 175.10 174.28 3jyl n SER 173 N -0.12 3.20 -3.47 4.85 3.41 -1.26 -1.47 113.62 118.75 3jyl n SER 173 Ca -0.05 -1.92 -0.12 0.00 -0.26 0.00 0.00 58.87 56.52 3jyl n SER 173 Cb 0.64 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3jyl n SER 173 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3jyl s SER 174 N -1.27 -0.52 0.51 4.04 1.04 -1.26 -4.77 113.70 111.48 3jyl s SER 174 Ca 0.33 0.17 0.21 0.00 0.48 0.00 0.00 55.95 57.14 3jyl s SER 174 Cb 0.19 0.50 1.36 0.00 0.10 0.00 0.00 66.02 68.17 3jyl s SER 174 CO 0.26 -0.75 2.11 1.55 0.98 0.00 0.00 173.24 177.39 3jyl h PRO 175 N 2.24 0.00 -0.39 4.02 0.13 -1.99 -1.35 132.00 134.66 3jyl h PRO 175 Ca -0.28 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 3jyl h PRO 175 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3jyl h PRO 175 CO 0.36 0.08 -0.24 0.93 -0.23 0.00 0.00 178.00 178.89 3jyl h GLU 176 N 0.00 0.85 -0.27 0.86 3.07 -2.00 -2.23 114.58 114.86 3jyl h GLU 176 Ca -0.00 -0.39 -0.09 0.00 -0.50 0.00 0.00 59.36 58.38 3jyl h GLU 176 Cb 0.16 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3jyl h GLU 176 CO 0.01 1.03 -0.20 0.87 -1.40 0.00 0.00 179.01 179.33 3jyl h LYS 177 N 0.66 0.50 0.07 2.33 1.57 -1.80 -1.52 116.57 118.37 3jyl h LYS 177 Ca 0.08 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3jyl h LYS 177 Cb 0.81 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3jyl h LYS 177 CO 0.07 0.67 -0.03 0.00 -0.57 0.00 0.00 179.45 179.59 3jyl h ALA 178 N 1.34 -0.09 -0.88 3.86 0.00 -1.08 0.05 119.26 122.46 3jyl h ALA 178 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3jyl h ALA 178 Cb 0.60 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3jyl h ALA 178 CO 0.04 -0.54 0.49 0.00 0.00 0.00 0.00 179.25 179.25 3jyl h ALA 179 N 0.81 1.12 0.07 0.00 0.00 -1.16 0.47 119.26 120.57 3jyl h ALA 179 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3jyl h ALA 179 Cb 0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3jyl h ALA 179 CO 0.02 0.61 -0.05 1.25 0.00 0.00 0.00 179.25 181.08 3jyl h HIS 180 N 1.22 -0.14 -0.62 0.00 6.17 -1.06 -1.07 115.15 119.65 3jyl h HIS 180 Ca 0.31 -0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.35 3jyl h HIS 180 Cb 0.01 0.05 -0.03 0.00 2.52 0.00 0.00 27.41 29.96 3jyl h HIS 180 CO 0.01 -0.08 0.23 0.00 0.71 0.00 0.00 177.93 178.80 3jyl h ALA 181 N 0.80 0.81 -0.64 5.26 0.00 -0.53 -2.47 119.26 122.48 3jyl h ALA 181 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3jyl h ALA 181 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3jyl h ALA 181 CO -0.00 0.44 0.08 -0.22 0.00 0.00 0.00 179.25 179.55 3jyl h LYS 182 N 0.88 1.09 -0.34 0.00 3.64 -0.83 -1.50 116.57 119.50 3jyl h LYS 182 Ca 0.21 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 3jyl h LYS 182 Cb 0.23 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3jyl h LYS 182 CO -0.01 1.01 0.08 0.00 -2.27 0.00 0.00 179.45 178.26 3jyl h ALA 183 N 1.03 1.51 -0.00 5.00 0.00 -0.95 -2.19 119.26 123.65 3jyl h ALA 183 Ca 0.19 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3jyl h ALA 183 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3jyl h ALA 183 CO 0.02 0.37 -0.53 -0.07 0.00 0.00 0.00 179.25 179.04 3jyl h LEU 184 N 0.49 0.01 0.00 0.00 3.38 -1.24 -3.47 115.31 114.48 3jyl h LEU 184 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3jyl h LEU 184 Cb 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3jyl h LEU 184 CO -0.00 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.67 3jyl n GLY 185 N -0.02 -0.76 3.71 0.83 0.00 -0.82 -3.84 105.19 104.29 3jyl n GLY 185 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3jyl n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyl s ALA 186 N 0.00 3.86 0.07 4.61 0.00 -0.60 -4.45 121.76 125.25 3jyl s ALA 186 Ca 0.00 1.49 -0.24 0.00 0.00 0.00 0.00 51.96 53.21 3jyl s ALA 186 Cb 0.00 -3.68 -0.16 0.00 0.00 0.00 0.00 23.12 19.28 3jyl s ALA 186 CO 0.00 -0.93 1.65 2.35 0.00 0.00 0.00 175.76 178.83 3jyl h TRP 187 N 7.10 -0.07 -4.07 0.00 7.01 -1.68 -3.42 115.95 120.82 3jyl h TRP 187 Ca -0.43 -0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.40 3jyl h TRP 187 Cb 1.20 0.02 -0.18 0.00 -2.10 0.00 0.00 29.16 28.11 3jyl h TRP 187 CO 0.67 0.04 -0.69 -2.00 -2.79 0.00 0.00 178.44 173.66 3jyl s GLU 188 N -5.84 0.52 0.02 2.65 2.56 -1.09 -5.01 118.70 112.51 3jyl s GLU 188 Ca -0.14 -0.97 0.05 0.00 0.00 0.00 0.00 54.97 53.91 3jyl s GLU 188 Cb 0.05 0.08 -0.02 0.00 2.00 0.00 0.00 34.13 36.24 3jyl s GLU 188 CO 0.66 -0.06 -0.14 -0.08 -0.56 0.00 0.00 175.26 175.08 3jyl s THR 189 N -2.75 1.09 -0.11 -1.70 -1.32 -1.26 -1.91 115.64 107.68 3jyl s THR 189 Ca -0.02 -0.83 -0.00 0.00 -1.21 0.00 0.00 61.69 59.62 3jyl s THR 189 Cb -0.01 -0.96 0.02 0.00 -1.51 0.00 0.00 72.50 70.05 3jyl s THR 189 CO -0.05 0.12 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.77 3jyl s ILE 190 N -0.64 1.01 -0.48 5.08 1.01 -0.41 -4.95 121.20 121.81 3jyl s ILE 190 Ca 0.03 -0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.17 3jyl s ILE 190 Cb -0.07 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.40 3jyl s ILE 190 CO 0.01 0.37 0.78 -0.62 0.00 0.00 0.00 174.94 175.47 3jyl s ASP 191 N 1.70 6.35 0.00 3.58 -1.08 -1.26 -1.29 116.67 124.67 3jyl s ASP 191 Ca 0.05 -0.34 0.00 0.00 -0.52 0.00 0.00 52.55 51.74 3jyl s ASP 191 Cb -0.13 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 3jyl s ASP 191 CO -0.08 -0.98 0.48 0.00 0.52 0.00 0.00 175.17 175.12 3jyl n TYR 192 N 6.76 0.00 0.07 -5.34 0.18 -0.54 -3.05 117.16 115.24 3jyl n TYR 192 Ca 0.00 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.59 3jyl n TYR 192 Cb 0.47 -0.03 -0.14 0.00 -0.38 0.00 0.00 39.34 39.26 3jyl n TYR 192 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 3jyl h SER 193 N 0.17 0.48 0.00 9.48 0.02 -1.86 -3.41 113.55 118.43 3jyl h SER 193 Ca 0.00 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 3jyl h SER 193 Cb 0.14 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3jyl h SER 193 CO 0.00 1.57 0.00 0.00 -1.14 0.00 0.00 176.83 177.26 3jyl n HIS 194 N -3.51 0.00 -3.82 3.45 1.44 -1.18 -5.07 115.22 106.53 3jyl n HIS 194 Ca -0.19 -0.25 -0.12 0.00 -2.01 0.00 0.00 57.72 55.15 3jyl n HIS 194 Cb 1.06 -0.02 -0.10 0.00 0.12 0.00 0.00 29.99 31.04 3jyl n HIS 194 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3jyl s GLU 195 N -0.49 0.44 -0.29 -1.40 -1.05 -1.17 -5.12 118.70 109.63 3jyl s GLU 195 Ca 0.00 -0.10 -0.29 0.00 -0.15 0.00 0.00 54.97 54.43 3jyl s GLU 195 Cb 0.00 0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.90 3jyl s GLU 195 CO 0.00 -0.10 1.06 0.34 0.95 0.00 0.00 175.26 177.51 3jyl s ASP 196 N -0.83 6.98 0.18 0.83 2.15 -1.26 -4.31 116.67 120.41 3jyl s ASP 196 Ca -0.09 1.16 -0.13 0.00 0.43 0.00 0.00 52.55 53.91 3jyl s ASP 196 Cb -0.05 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.14 3jyl s ASP 196 CO 0.02 -0.80 1.82 0.58 -0.17 0.00 0.00 175.17 176.61 3jyl h VAL 197 N 5.63 1.07 -0.43 1.11 2.07 -1.94 0.01 116.25 123.78 3jyl h VAL 197 Ca -0.20 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3jyl h VAL 197 Cb 1.06 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3jyl h VAL 197 CO 1.01 0.12 0.27 0.00 0.02 0.00 0.00 177.57 178.99 3jyl h ALA 198 N 1.23 0.54 -0.39 1.67 0.00 -1.90 -0.61 119.26 119.79 3jyl h ALA 198 Ca 0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3jyl h ALA 198 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3jyl h ALA 198 CO -0.09 -0.04 -0.34 0.87 0.00 0.00 0.00 179.25 179.66 3jyl h LYS 199 N 0.55 0.91 -0.39 0.00 1.57 -1.77 -2.59 116.57 114.85 3jyl h LYS 199 Ca 0.16 -0.45 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 3jyl h LYS 199 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3jyl h LYS 199 CO -0.05 1.10 0.02 0.00 -0.57 0.00 0.00 179.45 179.94 3jyl h ARG 200 N 0.75 0.60 -0.70 3.15 2.47 -0.84 -2.37 114.38 117.44 3jyl h ARG 200 Ca 0.07 -0.13 -0.06 0.00 -1.26 0.00 0.00 59.98 58.60 3jyl h ARG 200 Cb 0.92 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.12 3jyl h ARG 200 CO 0.08 0.61 0.22 0.28 0.56 0.00 0.00 179.97 181.73 3jyl h VAL 201 N 0.58 1.26 -0.13 2.04 2.07 -0.98 -1.43 116.25 119.65 3jyl h VAL 201 Ca 0.12 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3jyl h VAL 201 Cb 0.34 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3jyl h VAL 201 CO 0.01 0.34 0.08 0.25 0.02 0.00 0.00 177.57 178.28 3jyl h LEU 202 N 1.03 0.15 -0.77 2.57 5.85 -1.04 -0.73 115.31 122.36 3jyl h LEU 202 Ca 0.23 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 3jyl h LEU 202 Cb 0.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3jyl h LEU 202 CO -0.01 0.12 -0.47 1.05 -0.34 0.00 0.00 178.44 178.78 3jyl h GLU 203 N 0.16 0.33 -0.09 1.25 4.11 -1.39 0.11 114.58 119.07 3jyl h GLU 203 Ca 0.05 -0.18 -0.11 0.00 0.07 0.00 0.00 59.36 59.19 3jyl h GLU 203 Cb -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3jyl h GLU 203 CO -0.01 0.74 -0.43 -0.07 0.07 0.00 0.00 179.01 179.30 3jyl h LEU 204 N 0.26 0.21 -1.90 3.06 3.38 -0.97 -2.96 115.31 116.40 3jyl h LEU 204 Ca 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3jyl h LEU 204 Cb 0.94 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3jyl h LEU 204 CO 0.08 0.62 0.00 0.35 0.09 0.00 0.00 178.44 179.58 3jyl n THR 205 N -4.01 0.37 -3.58 0.22 -2.24 -0.31 -4.96 114.28 99.78 3jyl n THR 205 Ca -0.02 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 3jyl n THR 205 Cb 0.49 0.82 0.08 0.00 -2.10 0.00 0.00 70.33 69.62 3jyl n THR 205 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jyl n ASP 206 N 1.11 -6.20 0.00 3.42 8.00 -0.87 -2.37 116.55 119.64 3jyl n ASP 206 Ca 0.18 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.15 3jyl n ASP 206 Cb 0.52 -4.97 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 3jyl n ASP 206 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jyl n GLY 207 N -1.97 0.83 0.02 0.44 0.00 0.33 -4.89 105.19 99.95 3jyl n GLY 207 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3jyl n GLY 207 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jyl n LYS 208 N -2.35 0.24 0.00 1.61 5.02 -1.00 -5.08 118.16 116.61 3jyl n LYS 208 Ca 0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3jyl n LYS 208 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 3jyl n LYS 208 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3jyl n LYS 209 N -1.84 0.00 -3.93 1.97 5.02 -1.26 -4.44 118.16 113.68 3jyl n LYS 209 Ca 0.02 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 3jyl n LYS 209 Cb 0.42 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.35 3jyl n LYS 209 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jyl h PRO 211 N 5.94 0.65 -3.35 0.00 0.11 -1.89 0.36 132.00 133.83 3jyl h PRO 211 Ca -0.46 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 3jyl h PRO 211 Cb 1.19 -0.15 -0.25 0.00 0.11 0.00 0.00 31.00 31.90 3jyl h PRO 211 CO 0.66 0.43 -0.51 0.54 -0.21 0.00 0.00 178.00 178.91 3jyl s VAL 212 N -5.60 0.02 -0.15 3.15 0.11 -1.26 -1.63 120.40 115.05 3jyl s VAL 212 Ca -0.09 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 3jyl s VAL 212 Cb 0.19 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.76 3jyl s VAL 212 CO 0.76 -0.07 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.56 3jyl s VAL 213 N -0.18 2.00 -0.27 2.04 1.01 -0.11 -2.67 120.40 122.22 3jyl s VAL 213 Ca -0.03 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 3jyl s VAL 213 Cb -0.02 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 3jyl s VAL 213 CO 0.01 0.54 0.21 -0.31 0.00 0.00 0.00 175.10 175.54 3jyl s TYR 214 N 0.95 3.24 -0.23 5.22 2.02 0.11 -0.29 117.35 128.36 3jyl s TYR 214 Ca -0.04 0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.83 3jyl s TYR 214 Cb -0.15 -2.39 0.07 0.00 -0.40 0.00 0.00 41.96 39.09 3jyl s TYR 214 CO -0.04 -0.14 0.02 0.34 -1.57 0.00 0.00 175.55 174.16 3jyl s ASP 215 N 1.64 3.44 0.00 2.29 -1.08 0.86 -1.88 116.67 121.93 3jyl s ASP 215 Ca 0.08 -1.10 0.19 0.00 -0.52 0.00 0.00 52.55 51.20 3jyl s ASP 215 Cb -0.16 -0.84 0.13 0.00 -1.46 0.00 0.00 42.92 40.59 3jyl s ASP 215 CO 0.10 -0.30 1.08 0.61 0.52 0.00 0.00 175.17 177.17 3jyl n GLY 216 N 4.88 0.41 0.09 2.66 0.00 -1.26 -1.45 105.19 110.52 3jyl n GLY 216 Ca -0.08 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 3jyl n GLY 216 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3jyl h VAL 217 N 3.48 1.23 0.00 1.61 3.04 -1.92 -2.81 116.25 120.88 3jyl h VAL 217 Ca 0.00 -2.84 0.00 0.00 -1.01 0.00 0.00 66.70 62.85 3jyl h VAL 217 Cb 0.77 2.59 0.00 0.00 -2.01 0.00 0.00 31.29 32.63 3jyl h VAL 217 CO 0.00 0.70 0.00 0.61 -1.01 0.00 0.00 177.57 177.87 3jyl n GLY 218 N 1.35 1.00 0.16 3.17 0.00 -1.22 0.39 105.19 110.04 3jyl n GLY 218 Ca -0.03 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 3jyl n GLY 218 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3jyl h GLN 219 N 0.00 -0.28 -1.42 1.61 1.08 -1.34 -2.12 115.11 112.64 3jyl h GLN 219 Ca 0.00 0.02 0.43 0.00 -1.45 0.00 0.00 58.65 57.65 3jyl h GLN 219 Cb 0.00 0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.39 3jyl h GLN 219 CO 0.00 -0.19 0.96 -0.44 -0.95 0.00 0.00 178.83 178.21 3jyl h ASP 220 N -0.29 0.17 -0.22 1.46 3.32 -1.82 0.10 116.42 119.15 3jyl h ASP 220 Ca -0.01 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3jyl h ASP 220 Cb 0.27 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3jyl h ASP 220 CO -0.06 -0.09 0.00 0.35 -1.72 0.00 0.00 179.24 177.73 3jyl n THR 221 N -4.44 1.62 -0.08 0.35 -2.24 -1.12 -4.64 114.28 103.73 3jyl n THR 221 Ca 0.36 -1.52 -0.11 0.00 -2.27 0.00 0.00 64.05 60.51 3jyl n THR 221 Cb 1.48 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.77 3jyl n THR 221 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3jyl h TRP 222 N 1.36 0.46 -0.64 4.78 2.91 -0.09 -2.29 115.95 122.43 3jyl h TRP 222 Ca 0.00 -0.07 -0.04 0.00 1.13 0.00 0.00 58.89 59.91 3jyl h TRP 222 Cb 1.01 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.51 3jyl h TRP 222 CO 0.27 0.56 0.25 1.25 -1.03 0.00 0.00 178.44 179.74 3jyl h LEU 223 N 0.22 0.89 -0.74 0.65 7.12 -1.82 -2.37 115.31 119.26 3jyl h LEU 223 Ca 0.07 -0.17 -0.02 0.00 0.13 0.00 0.00 57.88 57.89 3jyl h LEU 223 Cb 0.35 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.22 3jyl h LEU 223 CO 0.01 0.82 0.38 0.74 -0.13 0.00 0.00 178.44 180.26 3jyl h THR 224 N 0.91 1.23 -0.91 1.05 2.02 -1.85 -1.53 112.91 113.83 3jyl h THR 224 Ca 0.21 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3jyl h THR 224 Cb 0.21 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3jyl h THR 224 CO -0.02 0.26 0.54 0.28 0.37 0.00 0.00 175.52 176.95 3jyl h SER 225 N 1.02 1.10 -0.01 4.18 0.02 -1.17 -1.40 113.55 117.28 3jyl h SER 225 Ca 0.26 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3jyl h SER 225 Cb 0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3jyl h SER 225 CO -0.04 0.85 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.29 3jyl h LEU 226 N 1.25 0.29 -0.19 5.07 3.38 -0.87 -1.23 115.31 123.01 3jyl h LEU 226 Ca 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3jyl h LEU 226 Cb -0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3jyl h LEU 226 CO -0.06 0.46 -0.15 0.47 0.09 0.00 0.00 178.44 179.25 3jyl n ASP 227 N -4.24 0.45 -0.00 -0.43 8.00 -0.64 -4.00 116.55 115.69 3jyl n ASP 227 Ca -0.00 -0.43 0.06 0.00 0.71 0.00 0.00 54.79 55.13 3jyl n ASP 227 Cb 0.29 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 3jyl n ASP 227 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3jyl n SER 228 N -1.06 0.58 -4.81 -2.24 7.64 -0.53 -4.90 113.62 108.31 3jyl n SER 228 Ca 0.12 -0.78 -0.39 0.00 1.01 0.00 0.00 58.87 58.83 3jyl n SER 228 Cb 0.30 1.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.44 3jyl n SER 228 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3jyl s VAL 229 N -2.16 4.81 0.71 0.44 0.11 -0.84 -1.60 120.40 121.87 3jyl s VAL 229 Ca 0.05 1.15 -0.13 0.00 -2.93 0.00 0.00 61.98 60.12 3jyl s VAL 229 Cb 0.09 -3.87 0.02 0.00 -1.53 0.00 0.00 36.38 31.10 3jyl s VAL 229 CO 0.50 0.54 1.10 0.00 -3.33 0.00 0.00 175.10 173.91 3jyl s ALA 230 N -0.97 2.39 0.26 1.54 0.00 0.13 -4.71 121.76 120.39 3jyl s ALA 230 Ca 0.28 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 3jyl s ALA 230 Cb -0.19 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 3jyl s ALA 230 CO 0.18 -1.47 1.13 -2.30 0.00 0.00 0.00 175.76 173.29 3jyl n PRO 231 N -2.90 1.49 -1.77 0.00 -0.02 -1.26 0.05 135.00 130.58 3jyl n PRO 231 Ca 0.10 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 3jyl n PRO 231 Cb 0.52 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 3jyl n PRO 231 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3jyl n ARG 232 N 1.14 -1.50 -2.00 -0.52 1.74 -0.84 -4.97 116.66 109.70 3jyl n ARG 232 Ca 0.11 1.18 -0.23 0.00 -0.77 0.00 0.00 57.85 58.15 3jyl n ARG 232 Cb 0.31 -5.63 0.14 0.00 -1.02 0.00 0.00 32.46 26.26 3jyl n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jyl n GLY 233 N -0.51 -0.32 3.29 -0.13 0.00 0.11 -4.68 105.19 102.95 3jyl n GLY 233 Ca -0.22 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 3jyl n GLY 233 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jyl s LEU 234 N 0.00 2.19 -0.20 0.99 2.96 -0.64 0.03 118.68 124.00 3jyl s LEU 234 Ca 0.61 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3jyl s LEU 234 Cb -0.03 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3jyl s LEU 234 CO 0.42 0.24 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.97 3jyl s VAL 235 N -0.13 3.67 -0.36 1.68 1.01 -0.10 -0.93 120.40 125.25 3jyl s VAL 235 Ca -0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 3jyl s VAL 235 Cb -0.14 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3jyl s VAL 235 CO 0.04 0.43 0.16 -0.69 0.00 0.00 0.00 175.10 175.04 3jyl s VAL 236 N 1.14 4.19 -0.54 2.92 1.01 0.60 -1.73 120.40 128.00 3jyl s VAL 236 Ca 0.02 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 3jyl s VAL 236 Cb -0.15 -3.36 0.11 0.00 0.00 0.00 0.00 36.38 32.98 3jyl s VAL 236 CO 0.00 -0.21 0.54 -0.55 0.00 0.00 0.00 175.10 174.89 3jyl s SER 237 N 1.48 6.18 0.00 3.32 0.15 -0.31 -0.10 113.70 124.43 3jyl s SER 237 Ca 0.00 -1.53 0.11 0.00 0.70 0.00 0.00 55.95 55.23 3jyl s SER 237 Cb -0.19 -2.24 0.16 0.00 -1.71 0.00 0.00 66.02 62.04 3jyl s SER 237 CO 0.05 -0.89 0.99 2.22 1.20 0.00 0.00 173.24 176.81 3jyl n PHE 238 N 5.60 0.16 -4.02 3.44 -1.74 -0.53 -3.90 117.46 116.47 3jyl n PHE 238 Ca -0.12 -0.17 -0.11 0.00 -0.56 0.00 0.00 57.45 56.50 3jyl n PHE 238 Cb 0.42 -0.01 -0.04 0.00 1.52 0.00 0.00 39.48 41.36 3jyl n PHE 238 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3jyl s GLY 239 N -0.96 0.85 -0.21 4.97 0.00 -1.24 -4.91 107.32 105.83 3jyl s GLY 239 Ca 0.17 -1.10 0.19 0.00 0.00 0.00 0.00 44.72 43.97 3jyl s GLY 239 CO 0.15 -0.75 1.15 0.70 0.00 0.00 0.00 173.10 174.35 3jyl n ASN 240 N -0.77 2.21 -0.31 1.64 4.13 -1.07 -3.39 115.26 117.70 3jyl n ASN 240 Ca -0.01 -2.58 0.12 0.00 1.68 0.00 0.00 54.58 53.79 3jyl n ASN 240 Cb 0.62 -0.42 0.30 0.00 -1.54 0.00 0.00 39.78 38.74 3jyl n ASN 240 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3jyl h ALA 241 N 2.03 1.45 -0.58 5.41 0.00 -1.31 0.38 119.26 126.64 3jyl h ALA 241 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3jyl h ALA 241 Cb 1.43 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3jyl h ALA 241 CO 0.28 -0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 3jyl n SER 242 N -4.97 3.65 0.00 0.00 3.41 0.16 -5.02 113.62 110.84 3jyl n SER 242 Ca 0.22 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 3jyl n SER 242 Cb 0.61 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3jyl n SER 242 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jyl n GLY 243 N 1.58 3.21 3.57 5.00 0.00 0.13 -4.62 105.19 114.07 3jyl n GLY 243 Ca 0.22 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 3jyl n GLY 243 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jyl n PRO 244 N -0.21 -1.16 -4.23 1.61 -0.04 -1.26 -1.28 135.00 128.44 3jyl n PRO 244 Ca 0.00 -0.29 -0.34 0.00 -0.04 0.00 0.00 63.50 62.83 3jyl n PRO 244 Cb 0.00 -2.25 -0.11 0.00 -0.04 0.00 0.00 33.50 31.10 3jyl n PRO 244 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3jyl s VAL 245 N -2.53 4.29 0.33 0.52 0.11 -1.26 -4.09 120.40 117.76 3jyl s VAL 245 Ca 0.66 -0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.44 3jyl s VAL 245 Cb -0.23 -2.90 0.03 0.00 -1.53 0.00 0.00 36.38 31.74 3jyl s VAL 245 CO 0.61 0.48 0.54 -1.54 -3.33 0.00 0.00 175.10 171.87 3jyl n SER 246 N 3.53 -1.55 -0.86 3.54 3.41 -1.26 -4.92 113.62 115.50 3jyl n SER 246 Ca -0.17 -2.59 -0.10 0.00 -0.26 0.00 0.00 58.87 55.76 3jyl n SER 246 Cb 0.52 2.73 -0.03 0.00 -0.26 0.00 0.00 64.21 67.17 3jyl n SER 246 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jyl n GLY 247 N -0.50 0.78 3.80 5.00 0.00 -1.26 -4.97 105.19 108.04 3jyl n GLY 247 Ca -0.03 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 3jyl n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jyl s VAL 248 N -2.40 4.53 -0.21 1.61 0.11 -1.26 -5.06 120.40 117.72 3jyl s VAL 248 Ca 0.00 1.44 -0.08 0.00 -2.93 0.00 0.00 61.98 60.42 3jyl s VAL 248 Cb 0.00 -3.99 -0.04 0.00 -1.53 0.00 0.00 36.38 30.82 3jyl s VAL 248 CO 0.00 0.45 0.08 0.21 -3.33 0.00 0.00 175.10 172.51 3jyl s ASN 249 N -1.27 5.62 0.44 3.54 3.84 -1.26 -4.98 114.94 120.87 3jyl s ASN 249 Ca 0.36 0.03 0.15 0.00 0.21 0.00 0.00 52.86 53.61 3jyl s ASN 249 Cb -0.20 -1.98 1.07 0.00 -0.55 0.00 0.00 41.25 39.59 3jyl s ASN 249 CO 0.23 0.11 1.97 -0.07 -2.79 0.00 0.00 177.10 176.55 3jyl h LEU 250 N 7.16 0.34 -1.58 3.21 3.38 -2.03 0.56 115.31 126.34 3jyl h LEU 250 Ca -0.37 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3jyl h LEU 250 Cb 1.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3jyl h LEU 250 CO 0.67 0.19 0.31 1.23 0.09 0.00 0.00 178.44 180.93 3jyl h GLY 251 N 0.37 0.00 1.46 0.83 0.00 -2.01 0.18 103.07 103.90 3jyl h GLY 251 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 3jyl h GLY 251 CO -0.08 0.00 0.05 1.19 0.00 0.00 0.00 176.54 177.70 3jyl h ILE 252 N 0.00 1.21 -0.60 2.60 -0.00 -0.28 -2.07 117.51 118.36 3jyl h ILE 252 Ca 0.00 -0.82 -0.10 0.00 -0.00 0.00 0.00 64.86 63.94 3jyl h ILE 252 Cb 0.63 0.83 -0.02 0.00 -0.00 0.00 0.00 36.82 38.26 3jyl h ILE 252 CO 0.00 0.29 0.00 -0.07 -0.00 0.00 0.00 178.15 178.37 3jyl h LEU 253 N 0.64 1.04 -0.48 2.19 3.38 -0.79 -1.80 115.31 119.50 3jyl h LEU 253 Ca 0.14 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3jyl h LEU 253 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3jyl h LEU 253 CO 0.01 1.10 0.07 0.00 0.09 0.00 0.00 178.44 179.70 3jyl h ALA 254 N 0.99 0.64 -0.96 1.53 0.00 -1.56 -0.64 119.26 119.25 3jyl h ALA 254 Ca 0.17 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3jyl h ALA 254 Cb 0.56 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3jyl h ALA 254 CO 0.03 0.38 0.63 0.37 0.00 0.00 0.00 179.25 180.67 3jyl h GLN 255 N 0.67 1.21 -0.85 0.00 4.15 -1.20 -0.59 115.11 118.51 3jyl h GLN 255 Ca 0.14 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3jyl h GLN 255 Cb 0.41 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3jyl h GLN 255 CO 0.01 0.80 0.00 1.63 -1.93 0.00 0.00 178.83 179.34 3jyl n LYS 256 N -4.42 1.37 -2.07 1.69 4.01 -0.69 -4.84 118.16 113.21 3jyl n LYS 256 Ca 0.12 -0.32 -0.01 0.00 -0.51 0.00 0.00 58.31 57.59 3jyl n LYS 256 Cb 0.07 -1.51 0.01 0.00 -0.51 0.00 0.00 35.03 33.08 3jyl n LYS 256 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3jyl n ASP 257 N 0.02 -2.05 -3.53 4.39 4.64 -0.24 -4.44 116.55 115.34 3jyl n ASP 257 Ca 0.03 -0.05 -0.22 0.00 -1.38 0.00 0.00 54.79 53.17 3jyl n ASP 257 Cb 0.31 -0.90 0.05 0.00 -1.04 0.00 0.00 41.12 39.55 3jyl n ASP 257 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 3jyl n SER 258 N -1.23 -3.98 -4.93 1.67 7.64 -0.32 -1.98 113.62 110.50 3jyl n SER 258 Ca -0.02 -0.82 -0.26 0.00 1.01 0.00 0.00 58.87 58.78 3jyl n SER 258 Cb 0.51 -4.35 0.02 0.00 -1.01 0.00 0.00 64.21 59.38 3jyl n SER 258 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3jyl s VAL 259 N -3.50 4.06 0.09 0.44 -7.23 -0.78 -2.64 120.40 110.84 3jyl s VAL 259 Ca 0.26 -0.11 0.06 0.00 -1.81 0.00 0.00 61.98 60.38 3jyl s VAL 259 Cb -0.06 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 3jyl s VAL 259 CO 0.79 -0.51 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.69 3jyl s TYR 260 N -2.80 2.81 0.01 2.82 1.51 0.10 -4.84 117.35 116.97 3jyl s TYR 260 Ca 0.50 -0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 56.45 3jyl s TYR 260 Cb -0.10 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 3jyl s TYR 260 CO 0.43 0.43 -0.01 0.54 -1.11 0.00 0.00 175.55 175.83 3jyl s VAL 261 N -1.21 0.07 0.02 0.71 0.11 -1.26 -0.92 120.40 117.92 3jyl s VAL 261 Ca 0.22 -0.54 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 3jyl s VAL 261 Cb -0.11 -0.17 -0.00 0.00 -1.53 0.00 0.00 36.38 34.57 3jyl s VAL 261 CO 0.14 -0.30 0.14 0.28 -3.33 0.00 0.00 175.10 172.03 3jyl s THR 262 N -0.87 0.11 -0.50 5.04 -1.32 -0.70 -4.95 115.64 112.44 3jyl s THR 262 Ca -0.10 -0.88 0.03 0.00 -1.21 0.00 0.00 61.69 59.54 3jyl s THR 262 Cb -0.06 -0.71 0.15 0.00 -1.51 0.00 0.00 72.50 70.37 3jyl s THR 262 CO -0.01 -0.48 0.33 -0.60 -2.21 0.00 0.00 174.62 171.65 3jyl s ARG 263 N -2.09 1.53 0.63 7.08 3.00 -1.26 -1.16 118.95 126.68 3jyl s ARG 263 Ca -0.09 -2.40 -0.09 0.00 -1.00 0.00 0.00 55.73 52.16 3jyl s ARG 263 Cb -0.04 -2.45 0.00 0.00 0.00 0.00 0.00 34.95 32.46 3jyl s ARG 263 CO -0.02 -1.24 0.99 -1.25 0.00 0.00 0.00 175.30 173.78 3jyl s PRO 264 N -0.20 3.02 0.03 5.12 0.04 -1.25 -5.02 135.00 136.75 3jyl s PRO 264 Ca 0.23 0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.58 3jyl s PRO 264 Cb -0.13 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 3jyl s PRO 264 CO -0.09 -0.78 -0.08 0.95 0.04 0.00 0.00 177.00 177.05 3jyl s THR 265 N -3.14 0.56 0.29 1.26 -4.23 -1.26 -4.76 115.64 104.36 3jyl s THR 265 Ca 0.55 -0.92 -0.03 0.00 -1.18 0.00 0.00 61.69 60.11 3jyl s THR 265 Cb -0.11 -0.59 0.26 0.00 1.34 0.00 0.00 72.50 73.40 3jyl s THR 265 CO 0.49 -0.26 1.95 0.25 -0.54 0.00 0.00 174.62 176.51 3jyl h LEU 266 N 4.80 1.00 -1.19 4.79 6.46 -1.98 -0.74 115.31 128.45 3jyl h LEU 266 Ca -0.35 -0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.52 3jyl h LEU 266 Cb 1.20 -0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 40.81 3jyl h LEU 266 CO 0.43 0.71 0.59 1.23 -0.62 0.00 0.00 178.44 180.78 3jyl h GLY 267 N 1.17 1.35 1.10 3.75 0.00 -1.96 0.06 103.07 108.55 3jyl h GLY 267 Ca 0.33 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 3jyl h GLY 267 CO -0.08 0.13 -0.12 0.23 0.00 0.00 0.00 176.54 176.71 3jyl h SER 268 N 0.82 1.04 0.18 0.19 0.87 -1.53 -2.03 113.55 113.09 3jyl h SER 268 Ca 0.46 -0.35 -0.23 0.00 -1.23 0.00 0.00 61.79 60.43 3jyl h SER 268 Cb 0.59 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3jyl h SER 268 CO -0.22 1.15 -0.94 1.88 -0.53 0.00 0.00 176.83 178.18 3jyl h TYR 269 N 0.91 0.79 -0.94 2.24 -1.99 -1.18 -3.25 116.97 113.55 3jyl h TYR 269 Ca 0.14 -0.41 -0.51 0.00 2.00 0.00 0.00 58.73 59.95 3jyl h TYR 269 Cb 0.69 -0.10 -0.29 0.00 2.00 0.00 0.00 36.73 39.03 3jyl h TYR 269 CO 0.05 1.23 0.60 0.00 -0.00 0.00 0.00 178.16 180.04 3jyl n ALA 270 N -2.58 5.59 -0.36 3.88 0.00 -0.09 -4.73 120.51 122.22 3jyl n ALA 270 Ca -0.08 -3.01 0.37 0.00 0.00 0.00 0.00 53.44 50.71 3jyl n ALA 270 Cb 0.83 -1.42 0.64 0.00 0.00 0.00 0.00 19.45 19.51 3jyl n ALA 270 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3jyl h ASN 271 N 1.15 0.00 -2.64 0.00 7.08 -1.40 -3.41 115.58 116.35 3jyl h ASN 271 Ca 0.59 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 53.28 3jyl h ASN 271 Cb 2.47 0.00 -0.14 0.00 -2.08 0.00 0.00 38.32 38.58 3jyl h ASN 271 CO 1.11 0.00 -0.62 0.54 -2.08 0.00 0.00 177.43 176.37 3jyl s ASN 272 N -4.03 2.97 0.00 6.14 2.20 -1.26 -4.98 114.94 115.98 3jyl s ASN 272 Ca -0.04 -1.33 0.00 0.00 -0.94 0.00 0.00 52.86 50.55 3jyl s ASN 272 Cb 0.20 -0.21 0.00 0.00 -2.00 0.00 0.00 41.25 39.24 3jyl s ASN 272 CO 0.66 -0.49 0.53 0.00 -2.94 0.00 0.00 177.10 174.87 3jyl n ALA 273 N -0.76 2.10 0.00 3.54 0.00 -1.25 -3.23 120.51 120.91 3jyl n ALA 273 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3jyl n ALA 273 Cb 0.66 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3jyl n ALA 273 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jyl n GLN 274 N 0.47 0.00 0.00 0.00 3.00 -1.26 -4.52 117.38 115.07 3jyl n GLN 274 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 3jyl n GLN 274 Cb 0.27 -0.30 0.38 0.00 0.00 0.00 0.00 30.24 30.59 3jyl n GLN 274 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3jyl n ASN 275 N -0.82 0.00 -0.10 1.08 5.03 -1.22 -2.84 115.26 116.38 3jyl n ASN 275 Ca 0.00 0.45 -0.19 0.00 0.87 0.00 0.00 54.58 55.71 3jyl n ASN 275 Cb 0.00 -0.48 -0.10 0.00 -1.02 0.00 0.00 39.78 38.19 3jyl n ASN 275 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3jyl n LEU 276 N -1.48 1.85 -0.32 3.41 7.94 -1.20 -3.52 117.00 123.68 3jyl n LEU 276 Ca 0.05 0.46 0.19 0.00 -1.11 0.00 0.00 56.01 55.60 3jyl n LEU 276 Cb 0.20 -0.95 0.40 0.00 0.53 0.00 0.00 43.42 43.60 3jyl n LEU 276 CO 0.16 0.15 1.03 1.56 -1.11 0.00 0.00 177.39 179.18 3jyl h GLN 277 N -1.00 0.25 0.27 1.96 1.08 -1.77 0.78 115.11 116.68 3jyl h GLN 277 Ca -0.29 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 3jyl h GLN 277 Cb 1.17 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 3jyl h GLN 277 CO -0.18 0.17 -0.13 1.15 -0.95 0.00 0.00 178.83 178.89 3jyl h THR 278 N 0.26 0.73 0.00 -0.54 2.02 -1.67 0.20 112.91 113.91 3jyl h THR 278 Ca 0.66 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 67.69 3jyl h THR 278 Cb 1.44 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3jyl h THR 278 CO -0.64 0.01 -0.58 0.00 0.37 0.00 0.00 175.52 174.68 3jyl h MET 279 N -0.38 0.00 -0.45 6.66 -0.00 -1.03 -2.74 114.93 116.98 3jyl h MET 279 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.59 3jyl h MET 279 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.88 3jyl h MET 279 CO 0.06 0.58 -0.02 0.00 -0.00 0.00 0.00 176.91 177.53 3jyl h ALA 280 N 1.42 0.61 -0.88 -3.00 0.00 0.68 -0.75 119.26 117.35 3jyl h ALA 280 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3jyl h ALA 280 Cb 1.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3jyl h ALA 280 CO 0.07 0.42 0.47 -0.44 0.00 0.00 0.00 179.25 179.78 3jyl h ASP 281 N 0.65 1.10 -0.48 0.00 3.32 -0.48 -1.45 116.42 119.10 3jyl h ASP 281 Ca 0.13 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3jyl h ASP 281 Cb 0.52 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3jyl h ASP 281 CO 0.03 0.89 -0.11 -0.08 -1.72 0.00 0.00 179.24 178.25 3jyl h GLU 282 N 1.23 0.91 -0.27 3.56 4.81 -1.33 -1.17 114.58 122.33 3jyl h GLU 282 Ca 0.31 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3jyl h GLU 282 Cb 0.04 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3jyl h GLU 282 CO -0.05 1.00 0.16 1.25 -0.73 0.00 0.00 179.01 180.65 3jyl h LEU 283 N 0.76 0.28 -1.05 1.64 5.85 -0.71 -0.82 115.31 121.27 3jyl h LEU 283 Ca 0.12 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3jyl h LEU 283 Cb 0.66 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3jyl h LEU 283 CO 0.05 0.20 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.70 3jyl h PHE 284 N 0.34 0.00 -0.23 1.25 0.04 -1.26 -2.23 116.94 114.85 3jyl h PHE 284 Ca 0.10 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 3jyl h PHE 284 Cb -0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3jyl h PHE 284 CO -0.07 0.39 -0.21 -0.44 -0.60 0.00 0.00 178.31 177.38 3jyl h ASP 285 N 0.00 0.41 -0.36 2.17 5.19 -0.60 0.06 116.42 123.29 3jyl h ASP 285 Ca -0.00 -0.12 -0.12 0.00 -0.62 0.00 0.00 57.03 56.17 3jyl h ASP 285 Cb 0.84 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 3jyl h ASP 285 CO 0.05 0.63 -0.22 0.24 -3.12 0.00 0.00 179.24 176.82 3jyl h MET 286 N 0.38 0.79 -0.22 3.56 2.86 -0.59 -2.92 114.93 118.78 3jyl h MET 286 Ca 0.06 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3jyl h MET 286 Cb 0.58 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3jyl h MET 286 CO 0.04 0.99 0.07 1.25 1.06 0.00 0.00 176.91 180.32 3jyl h LEU 287 N 0.58 0.32 -0.49 1.22 5.85 -1.18 -1.55 115.31 120.04 3jyl h LEU 287 Ca 0.07 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3jyl h LEU 287 Cb 0.78 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3jyl h LEU 287 CO 0.06 0.43 0.32 0.00 -0.34 0.00 0.00 178.44 178.91 3jyl h ALA 288 N 0.90 0.63 0.00 1.25 0.00 -1.06 -0.40 119.26 120.58 3jyl h ALA 288 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3jyl h ALA 288 Cb 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3jyl h ALA 288 CO -0.00 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 3jyl n SER 289 N -4.75 0.00 0.00 0.00 3.41 -1.10 -4.84 113.62 106.34 3jyl n SER 289 Ca 0.02 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 3jyl n SER 289 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3jyl n SER 289 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jyl n GLY 290 N 0.20 0.84 0.18 5.00 0.00 -0.16 -4.88 105.19 106.37 3jyl n GLY 290 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3jyl n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jyl h LYS 291 N 2.36 0.00 -5.33 1.61 1.57 -1.48 -3.41 116.57 111.89 3jyl h LYS 291 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3jyl h LYS 291 Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 31.99 3jyl h LYS 291 CO 0.00 0.40 -0.87 -0.51 -0.57 0.00 0.00 179.45 177.90 3jyl s LEU 292 N -7.25 2.15 -0.05 2.94 1.43 -1.08 -4.66 118.68 112.16 3jyl s LEU 292 Ca -0.01 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3jyl s LEU 292 Cb 0.12 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 3jyl s LEU 292 CO 0.70 0.16 -0.22 -0.54 0.23 0.00 0.00 176.35 176.67 3jyl s LYS 293 N 0.37 2.16 -0.38 1.70 1.02 -1.26 -4.55 119.74 118.80 3jyl s LYS 293 Ca -0.18 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.06 3jyl s LYS 293 Cb -0.18 -1.88 0.11 0.00 -0.52 0.00 0.00 37.83 35.36 3jyl s LYS 293 CO 0.08 0.35 0.11 0.08 -0.92 0.00 0.00 175.35 175.06 3jyl s VAL 294 N -0.16 2.02 -0.11 3.17 1.01 -1.26 -5.06 120.40 120.01 3jyl s VAL 294 Ca -0.01 -2.38 0.01 0.00 0.00 0.00 0.00 61.98 59.60 3jyl s VAL 294 Cb -0.12 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.80 3jyl s VAL 294 CO 0.02 -0.67 -0.13 1.51 0.00 0.00 0.00 175.10 175.83 3jyl s ASP 295 N 0.76 2.29 0.00 3.32 -4.77 -1.26 -4.93 116.67 112.08 3jyl s ASP 295 Ca 0.12 -0.38 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 3jyl s ASP 295 Cb -0.20 -1.00 0.00 0.00 -1.09 0.00 0.00 42.92 40.63 3jyl s ASP 295 CO -0.09 -0.03 0.00 0.61 0.70 0.00 0.00 175.17 176.37 3jyl n GLY 296 N 4.40 -0.90 3.08 2.12 0.00 -1.26 -4.86 105.19 107.77 3jyl n GLY 296 Ca -0.18 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 3jyl n GLY 296 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jyl s ILE 297 N 0.00 1.81 0.11 -0.61 1.01 -1.26 -3.69 121.20 118.58 3jyl s ILE 297 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 3jyl s ILE 297 Cb 0.00 -1.65 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 3jyl s ILE 297 CO 0.00 0.50 0.94 -0.70 0.00 0.00 0.00 174.94 175.68 3jyl s GLU 298 N 1.29 4.69 -0.15 2.79 2.56 -0.29 -4.95 118.70 124.64 3jyl s GLU 298 Ca 0.03 1.42 0.00 0.00 0.00 0.00 0.00 54.97 56.42 3jyl s GLU 298 Cb -0.13 -3.37 -0.00 0.00 2.00 0.00 0.00 34.13 32.63 3jyl s GLU 298 CO -0.10 0.24 -0.15 -0.65 -0.56 0.00 0.00 175.26 174.04 3jyl s GLN 299 N -0.10 3.22 -0.06 4.30 -0.21 -1.26 -1.68 119.66 123.87 3jyl s GLN 299 Ca 0.46 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 55.10 3jyl s GLN 299 Cb -0.23 -2.62 -0.03 0.00 1.00 0.00 0.00 33.01 31.13 3jyl s GLN 299 CO 0.29 0.03 -0.08 0.71 -2.12 0.00 0.00 175.29 174.12 3jyl s TYR 300 N 0.78 2.90 0.57 0.91 2.02 -0.61 -4.98 117.35 118.93 3jyl s TYR 300 Ca -0.06 -0.01 -0.18 0.00 -0.37 0.00 0.00 57.07 56.45 3jyl s TYR 300 Cb -0.15 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 3jyl s TYR 300 CO 0.00 0.31 1.11 0.00 -1.57 0.00 0.00 175.55 175.40 3jyl s ALA 301 N -0.80 2.67 0.25 3.71 0.00 -1.26 -0.18 121.76 126.15 3jyl s ALA 301 Ca 0.12 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 3jyl s ALA 301 Cb -0.11 -3.32 0.35 0.00 0.00 0.00 0.00 23.12 20.04 3jyl s ALA 301 CO 0.01 -0.82 1.85 1.25 0.00 0.00 0.00 175.76 178.05 3jyl h LEU 302 N 0.92 0.86 -0.48 0.00 5.85 -1.51 0.16 115.31 121.11 3jyl h LEU 302 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3jyl h LEU 302 Cb 1.25 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3jyl h LEU 302 CO 0.57 0.55 0.00 2.29 -0.34 0.00 0.00 178.44 181.50 3jyl n LYS 303 N -4.61 0.05 -0.84 1.25 2.85 -1.26 -1.74 118.16 113.86 3jyl n LYS 303 Ca 0.13 0.51 -0.06 0.00 -1.05 0.00 0.00 58.31 57.84 3jyl n LYS 303 Cb 0.19 -1.66 0.21 0.00 -0.65 0.00 0.00 35.03 33.11 3jyl n LYS 303 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3jyl n ASP 304 N -1.78 2.96 -0.17 -5.58 10.43 0.04 -4.74 116.55 117.71 3jyl n ASP 304 Ca 0.00 -3.63 0.03 0.00 2.57 0.00 0.00 54.79 53.75 3jyl n ASP 304 Cb 0.04 -0.66 0.30 0.00 1.84 0.00 0.00 41.12 42.64 3jyl n ASP 304 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3jyl h ALA 305 N 1.17 1.56 -0.63 2.24 0.00 -1.42 -1.77 119.26 120.42 3jyl h ALA 305 Ca 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3jyl h ALA 305 Cb 1.87 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 3jyl h ALA 305 CO 0.51 0.38 0.41 0.00 0.00 0.00 0.00 179.25 180.55 3jyl h ALA 306 N 1.59 0.80 -0.36 0.00 0.00 -1.86 0.25 119.26 119.67 3jyl h ALA 306 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3jyl h ALA 306 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3jyl h ALA 306 CO -0.07 0.21 0.08 -0.22 0.00 0.00 0.00 179.25 179.26 3jyl h LYS 307 N 0.84 0.58 -0.59 0.00 1.63 -1.72 0.32 116.57 117.62 3jyl h LYS 307 Ca 0.23 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.86 3jyl h LYS 307 Cb -0.08 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 3jyl h LYS 307 CO -0.06 0.62 0.24 0.00 -3.45 0.00 0.00 179.45 176.81 3jyl h ALA 308 N 0.93 0.76 -0.67 5.00 0.00 -1.10 -2.53 119.26 121.65 3jyl h ALA 308 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3jyl h ALA 308 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3jyl h ALA 308 CO 0.00 0.37 0.18 0.37 0.00 0.00 0.00 179.25 180.17 3jyl h GLN 309 N 0.81 1.05 -0.89 0.00 4.15 -0.16 -1.03 115.11 119.05 3jyl h GLN 309 Ca 0.20 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3jyl h GLN 309 Cb 0.19 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 3jyl h GLN 309 CO -0.02 0.92 0.49 0.82 -1.93 0.00 0.00 178.83 179.11 3jyl h ILE 310 N 1.00 1.26 -0.40 2.39 2.04 -0.63 -1.47 117.51 121.69 3jyl h ILE 310 Ca 0.22 -0.62 -0.15 0.00 1.00 0.00 0.00 64.86 65.30 3jyl h ILE 310 Cb 0.32 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3jyl h ILE 310 CO -0.00 0.28 -0.34 -0.33 0.00 0.00 0.00 178.15 177.76 3jyl h GLU 311 N 1.24 0.94 -0.08 2.37 4.39 -0.92 -0.87 114.58 121.64 3jyl h GLU 311 Ca 0.31 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3jyl h GLU 311 Cb 0.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3jyl h GLU 311 CO -0.05 1.12 0.06 1.25 -1.16 0.00 0.00 179.01 180.23 3jyl h LEU 312 N 0.78 0.10 -0.81 1.33 5.85 -0.88 -2.22 115.31 119.46 3jyl h LEU 312 Ca 0.07 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3jyl h LEU 312 Cb 0.93 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 3jyl h LEU 312 CO 0.09 0.08 0.48 0.28 -0.34 0.00 0.00 178.44 179.03 3jyl h SER 313 N 0.11 0.98 -0.45 1.25 0.02 -1.20 -1.55 113.55 112.70 3jyl h SER 313 Ca 0.03 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3jyl h SER 313 Cb -0.00 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3jyl h SER 313 CO -0.01 0.77 0.30 0.00 -1.14 0.00 0.00 176.83 176.75 3jyl h ALA 314 N 1.26 1.75 -5.77 3.77 0.00 -0.93 -3.46 119.26 115.88 3jyl h ALA 314 Ca 0.29 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.81 3jyl h ALA 314 Cb -0.03 -0.16 0.15 0.00 0.00 0.00 0.00 17.79 17.75 3jyl h ALA 314 CO -0.05 0.20 -0.74 -2.13 0.00 0.00 0.00 179.25 176.54 3jyl n ARG 315 N -4.47 -7.10 -0.00 0.00 3.00 -0.59 -4.89 116.66 102.61 3jyl n ARG 315 Ca 0.04 0.83 0.02 0.00 -0.00 0.00 0.00 57.85 58.74 3jyl n ARG 315 Cb 0.11 -5.84 -0.03 0.00 0.00 0.00 0.00 32.46 26.71 3jyl n ARG 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3jyl n ARG 316 N -4.52 3.48 -3.67 -0.14 1.74 -1.26 -5.04 116.66 107.26 3jyl n ARG 316 Ca -0.16 -0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.67 3jyl n ARG 316 Cb 0.62 -0.85 -0.02 0.00 -1.02 0.00 0.00 32.46 31.19 3jyl n ARG 316 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3jyl s THR 317 N -1.73 5.19 0.06 0.55 -1.32 -1.26 -5.12 115.64 112.00 3jyl s THR 317 Ca 0.00 -0.60 0.04 0.00 -1.21 0.00 0.00 61.69 59.92 3jyl s THR 317 Cb 0.03 -3.82 -0.03 0.00 -1.51 0.00 0.00 72.50 67.17 3jyl s THR 317 CO 0.16 -0.36 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.20 3jyl s THR 318 N -2.07 0.92 0.00 5.08 2.01 -1.26 -4.97 115.64 115.35 3jyl s THR 318 Ca 0.38 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3jyl s THR 318 Cb -0.10 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3jyl s THR 318 CO 0.32 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 3jyl n GLY 319 N 1.42 2.29 3.78 4.40 0.00 -1.26 -5.01 105.19 110.81 3jyl n GLY 319 Ca -0.21 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 3jyl n GLY 319 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jyl s SER 320 N 0.00 6.21 -0.00 1.61 0.01 -1.24 -4.90 113.70 115.39 3jyl s SER 320 Ca 0.00 3.03 0.02 0.00 1.31 0.00 0.00 55.95 60.31 3jyl s SER 320 Cb 0.00 -2.67 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 3jyl s SER 320 CO 0.00 -0.96 -0.06 -0.89 0.41 0.00 0.00 173.24 171.74 3jyl s THR 321 N -1.14 0.47 0.12 1.44 2.01 -1.26 -1.14 115.64 116.15 3jyl s THR 321 Ca 0.55 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 3jyl s THR 321 Cb -0.46 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3jyl s THR 321 CO 0.62 0.12 0.05 0.27 -0.69 0.00 0.00 174.62 174.99 3jyl s ILE 322 N -0.16 0.13 -0.01 1.82 -4.36 -0.68 -4.27 121.20 113.68 3jyl s ILE 322 Ca 0.02 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 3jyl s ILE 322 Cb -0.02 -1.99 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 3jyl s ILE 322 CO -0.00 -0.52 0.03 -0.76 0.24 0.00 0.00 174.94 173.93 3jyl s LEU 323 N -3.04 3.65 -0.21 0.37 1.43 0.18 -1.57 118.68 119.50 3jyl s LEU 323 Ca 0.22 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3jyl s LEU 323 Cb 0.07 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.25 3jyl s LEU 323 CO 0.01 0.29 -0.16 -0.63 0.23 0.00 0.00 176.35 176.08 3jyl s ILE 324 N -1.11 2.03 -2.00 -0.59 -1.09 0.75 0.06 121.20 119.25 3jyl s ILE 324 Ca 0.20 -1.15 0.11 0.00 -2.23 0.00 0.00 60.65 57.58 3jyl s ILE 324 Cb -0.12 -1.96 0.31 0.00 -1.58 0.00 0.00 42.46 39.11 3jyl s ILE 324 CO 0.11 0.32 1.08 -0.81 -1.23 0.00 0.00 174.94 174.41