#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqz s PRO 11 N 0.00 1.30 -0.01 1.61 0.02 -1.26 -4.86 135.00 131.79 2jqz s PRO 11 Ca 0.00 0.80 0.07 0.00 0.02 0.00 0.00 61.00 61.89 2jqz s PRO 11 Cb 0.00 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.68 2jqz s PRO 11 CO 0.00 -2.21 -0.21 0.14 -0.33 0.00 0.00 177.00 174.39 2jqz s VAL 12 N -2.95 2.49 -0.57 3.83 -7.23 -0.43 -4.79 120.40 110.75 2jqz s VAL 12 Ca 0.63 -1.03 -0.23 0.00 -1.81 0.00 0.00 61.98 59.54 2jqz s VAL 12 Cb -0.18 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 34.87 2jqz s VAL 12 CO 0.57 0.52 0.91 -0.75 -0.31 0.00 0.00 175.10 176.04 2jqz s LYS 13 N -0.84 3.25 -0.19 4.82 2.47 -1.26 -0.21 119.74 127.77 2jqz s LYS 13 Ca 0.11 -0.49 -0.09 0.00 -1.56 0.00 0.00 55.97 53.94 2jqz s LYS 13 Cb -0.10 -4.10 -0.05 0.00 -1.46 0.00 0.00 37.83 32.12 2jqz s LYS 13 CO 0.01 -1.54 0.11 -1.17 0.16 0.00 0.00 175.35 172.92 2jqz s LEU 14 N 3.81 4.13 -0.40 5.43 1.98 -0.52 -1.33 118.68 131.77 2jqz s LEU 14 Ca 0.26 0.22 -0.14 0.00 -2.89 0.00 0.00 54.13 51.58 2jqz s LEU 14 Cb -0.15 -2.05 0.02 0.00 0.66 0.00 0.00 46.19 44.67 2jqz s LEU 14 CO 0.16 0.21 0.28 -0.13 -1.89 0.00 0.00 176.35 174.97 2jqz s ARG 15 N 0.19 2.93 -0.42 1.98 0.52 -0.65 -2.37 118.95 121.13 2jqz s ARG 15 Ca 0.08 -1.04 -0.13 0.00 -0.52 0.00 0.00 55.73 54.11 2jqz s ARG 15 Cb -0.11 -3.92 0.04 0.00 0.52 0.00 0.00 34.95 31.48 2jqz s ARG 15 CO -0.01 -0.74 0.29 -1.17 0.02 0.00 0.00 175.30 173.69 2jqz s LEU 16 N 1.64 5.12 -0.43 2.53 0.20 -0.68 -2.23 118.68 124.84 2jqz s LEU 16 Ca 0.04 -1.13 -0.19 0.00 0.69 0.00 0.00 54.13 53.54 2jqz s LEU 16 Cb -0.19 -2.10 0.02 0.00 -0.43 0.00 0.00 46.19 43.49 2jqz s LEU 16 CO 0.09 -0.49 0.55 -0.89 -0.29 0.00 0.00 176.35 175.32 2jqz s THR 17 N 1.59 4.94 -0.99 3.68 2.01 -0.18 -1.70 115.64 125.00 2jqz s THR 17 Ca 0.03 -0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.72 2jqz s THR 17 Cb -0.21 -4.13 0.05 0.00 0.01 0.00 0.00 72.50 68.22 2jqz s THR 17 CO 0.07 -0.52 1.41 -0.69 -0.69 0.00 0.00 174.62 174.21 2jqz s VAL 18 N 2.52 3.94 0.00 3.82 1.01 0.33 -0.93 120.40 131.10 2jqz s VAL 18 Ca 0.18 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 2jqz s VAL 18 Cb -0.15 -5.03 -0.13 0.00 0.00 0.00 0.00 36.38 31.07 2jqz s VAL 18 CO 0.17 -1.91 0.97 0.25 0.00 0.00 0.00 175.10 174.58 2jqz h LEU 19 N 12.70 -0.70 -7.91 3.92 5.85 -1.59 0.10 115.31 127.69 2jqz h LEU 19 Ca 0.15 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.98 2jqz h LEU 19 Cb 1.02 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 2jqz h LEU 19 CO 1.40 -0.32 0.35 0.00 -0.34 0.00 0.00 178.44 179.52 2jqz s ALA 21 N -3.17 1.40 0.30 0.00 0.00 -0.94 -0.37 121.76 118.98 2jqz s ALA 21 Ca 0.14 -1.18 0.09 0.00 0.00 0.00 0.00 51.96 51.00 2jqz s ALA 21 Cb -0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 2jqz s ALA 21 CO 0.07 0.14 -0.10 0.15 0.00 0.00 0.00 175.76 176.02 2jqz s LYS 22 N -2.28 1.66 -0.86 0.00 -0.14 0.16 -3.31 119.74 114.97 2jqz s LYS 22 Ca 0.05 -1.83 -0.04 0.00 -1.36 0.00 0.00 55.97 52.79 2jqz s LYS 22 Cb -0.07 -1.47 0.00 0.00 -1.68 0.00 0.00 37.83 34.61 2jqz s LYS 22 CO 0.03 0.14 0.63 -1.71 -0.76 0.00 0.00 175.35 173.67 2jqz n ASN 23 N -0.66 -5.22 -4.63 2.83 4.05 -1.20 -0.66 115.26 109.78 2jqz n ASN 23 Ca -0.05 -0.87 -0.43 0.00 0.45 0.00 0.00 54.58 53.67 2jqz n ASN 23 Cb 0.63 -2.24 -0.02 0.00 1.23 0.00 0.00 39.78 39.37 2jqz n ASN 23 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2jqz s LEU 24 N -5.08 3.87 -0.16 1.20 1.98 -0.56 -3.12 118.68 116.80 2jqz s LEU 24 Ca 0.06 1.05 -0.30 0.00 -2.89 0.00 0.00 54.13 52.05 2jqz s LEU 24 Cb -0.03 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.21 2jqz s LEU 24 CO 0.88 -1.03 2.14 0.55 -1.89 0.00 0.00 176.35 177.00 2jqz n VAL 25 N 6.17 0.44 0.08 1.68 3.14 -0.90 -4.71 118.33 124.24 2jqz n VAL 25 Ca 0.13 -0.35 0.05 0.00 -2.96 0.00 0.00 64.34 61.21 2jqz n VAL 25 Cb 0.47 -2.38 0.25 0.00 -1.06 0.00 0.00 33.84 31.12 2jqz n VAL 25 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2jqz n LYS 26 N 8.28 0.06 0.00 1.45 2.85 -1.26 -4.61 118.16 124.93 2jqz n LYS 26 Ca 0.28 0.53 0.00 0.00 -1.05 0.00 0.00 58.31 58.07 2jqz n LYS 26 Cb 0.41 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 2jqz n LYS 26 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2jqz n LYS 27 N -1.80 0.00 -3.83 -1.58 4.76 -1.26 -3.82 118.16 110.62 2jqz n LYS 27 Ca -0.01 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.07 2jqz n LYS 27 Cb 0.08 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.14 2jqz n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jqz s ASP 28 N -4.00 4.90 0.77 4.39 1.11 -1.26 -5.07 116.67 117.52 2jqz s ASP 28 Ca 0.00 -0.92 -0.15 0.00 0.18 0.00 0.00 52.55 51.66 2jqz s ASP 28 Cb 0.00 -1.79 0.01 0.00 1.07 0.00 0.00 42.92 42.21 2jqz s ASP 28 CO 0.00 -0.21 0.79 2.22 1.18 0.00 0.00 175.17 179.15 2jqz n PHE 29 N 4.77 -0.00 -0.24 4.23 1.16 -1.26 -1.58 117.46 124.53 2jqz n PHE 29 Ca -0.14 0.36 0.00 0.00 -1.87 0.00 0.00 57.45 55.79 2jqz n PHE 29 Cb 0.46 -1.99 0.00 0.00 -1.61 0.00 0.00 39.48 36.35 2jqz n PHE 29 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 2jqz n PHE 30 N -2.80 0.00 -0.07 2.97 3.01 -1.26 -4.55 117.46 114.77 2jqz n PHE 30 Ca 0.11 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.49 2jqz n PHE 30 Cb 0.50 -1.00 -0.07 0.00 -0.01 0.00 0.00 39.48 38.90 2jqz n PHE 30 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2jqz n ARG 31 N -2.00 0.74 -1.48 -1.08 1.74 -0.61 -5.13 116.66 108.83 2jqz n ARG 31 Ca 0.00 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2jqz n ARG 31 Cb 0.00 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2jqz n ARG 31 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jqz n LEU 32 N -2.80 -1.72 -4.94 0.55 7.99 -0.66 -4.88 117.00 110.54 2jqz n LEU 32 Ca -0.23 2.72 -0.24 0.00 -0.01 0.00 0.00 56.01 58.25 2jqz n LEU 32 Cb 0.78 -2.84 -0.01 0.00 -0.11 0.00 0.00 43.42 41.24 2jqz n LEU 32 CO 0.16 -0.45 0.22 -2.16 -1.51 0.00 0.00 177.39 173.64 2jqz s PRO 33 N -4.93 3.43 -0.66 3.23 0.05 -1.25 -4.75 135.00 130.12 2jqz s PRO 33 Ca 0.00 -0.30 0.05 0.00 0.05 0.00 0.00 61.00 60.80 2jqz s PRO 33 Cb 0.00 -2.62 0.16 0.00 0.05 0.00 0.00 34.50 32.10 2jqz s PRO 33 CO 0.00 0.05 0.45 -0.51 0.05 0.00 0.00 177.00 177.04 2jqz s ASP 34 N -4.07 4.50 0.31 6.66 1.01 -1.26 -2.53 116.67 121.29 2jqz s ASP 34 Ca 0.42 -3.68 -0.29 0.00 0.71 0.00 0.00 52.55 49.71 2jqz s ASP 34 Cb -0.10 -1.53 -0.11 0.00 1.01 0.00 0.00 42.92 42.19 2jqz s ASP 34 CO 0.37 -0.11 1.47 -2.16 0.21 0.00 0.00 175.17 174.95 2jqz s PRO 35 N -1.18 4.21 0.30 8.23 0.04 -1.16 -0.49 135.00 144.95 2jqz s PRO 35 Ca 0.24 2.42 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 2jqz s PRO 35 Cb -0.07 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.44 2jqz s PRO 35 CO -0.15 -0.46 0.53 -0.59 0.04 0.00 0.00 177.00 176.37 2jqz s PHE 36 N -0.50 0.54 0.18 0.56 -0.71 -0.91 -0.23 117.98 116.90 2jqz s PHE 36 Ca 0.57 -0.91 0.09 0.00 -1.04 0.00 0.00 56.93 55.64 2jqz s PHE 36 Cb -0.44 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 2jqz s PHE 36 CO 0.51 -1.13 -0.20 0.00 -1.34 0.00 0.00 175.22 173.06 2jqz s ALA 37 N -3.45 2.19 -0.17 1.99 0.00 -1.14 -2.02 121.76 119.16 2jqz s ALA 37 Ca 0.24 -1.55 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 2jqz s ALA 37 Cb -0.01 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.94 2jqz s ALA 37 CO 0.13 0.29 0.06 0.15 0.00 0.00 0.00 175.76 176.39 2jqz s LYS 38 N -2.81 0.34 0.07 0.00 1.02 0.44 -0.07 119.74 118.72 2jqz s LYS 38 Ca 0.18 -0.19 -0.22 0.00 0.02 0.00 0.00 55.97 55.76 2jqz s LYS 38 Cb -0.06 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.36 2jqz s LYS 38 CO 0.08 -0.62 0.65 0.08 -0.92 0.00 0.00 175.35 174.62 2jqz s VAL 39 N 2.01 4.71 0.03 3.17 1.01 0.99 -1.64 120.40 130.68 2jqz s VAL 39 Ca 0.01 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.39 2jqz s VAL 39 Cb -0.16 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2jqz s VAL 39 CO -0.08 0.48 -0.07 0.68 0.00 0.00 0.00 175.10 176.12 2jqz s VAL 40 N -0.71 0.49 -0.37 2.92 -7.23 -0.97 -0.62 120.40 113.91 2jqz s VAL 40 Ca 0.32 -0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 59.69 2jqz s VAL 40 Cb -0.20 -0.51 0.09 0.00 0.56 0.00 0.00 36.38 36.32 2jqz s VAL 40 CO 0.20 -0.21 0.14 -0.69 -0.31 0.00 0.00 175.10 174.24 2jqz s VAL 41 N -0.93 3.29 -1.16 1.32 1.01 -0.78 -2.65 120.40 120.51 2jqz s VAL 41 Ca -0.06 -1.76 -0.22 0.00 0.00 0.00 0.00 61.98 59.93 2jqz s VAL 41 Cb -0.07 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 2jqz s VAL 41 CO 0.00 -0.48 1.91 1.51 0.00 0.00 0.00 175.10 178.04 2jqz s ASP 42 N 1.64 5.25 0.00 3.32 -4.77 -1.25 -2.01 116.67 118.85 2jqz s ASP 42 Ca 0.04 -1.61 0.00 0.00 -3.30 0.00 0.00 52.55 47.67 2jqz s ASP 42 Cb -0.22 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.03 2jqz s ASP 42 CO -0.02 -2.82 0.00 0.61 0.70 0.00 0.00 175.17 173.63 2jqz n GLY 43 N 5.92 -0.78 0.00 2.12 0.00 -1.26 -4.52 105.19 106.67 2jqz n GLY 43 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2jqz n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jqz n SER 44 N 0.00 0.00 0.00 1.61 2.88 -0.85 -5.02 113.62 112.23 2jqz n SER 44 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jqz n SER 44 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jqz n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jqz n GLY 45 N 0.28 1.57 3.68 0.46 0.00 -0.86 -5.00 105.19 105.33 2jqz n GLY 45 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2jqz n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jqz n GLN 46 N -2.00 2.51 -4.68 1.61 6.02 -1.26 -4.79 117.38 114.79 2jqz n GLN 46 Ca 0.00 0.91 -0.28 0.00 -0.01 0.00 0.00 57.00 57.62 2jqz n GLN 46 Cb 0.00 -2.77 -0.14 0.00 1.02 0.00 0.00 30.24 28.35 2jqz n GLN 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jqz s HIS 48 N -0.90 0.52 -0.12 0.00 3.76 0.21 -4.96 115.29 113.81 2jqz s HIS 48 Ca 0.11 -0.86 -0.24 0.00 -0.15 0.00 0.00 55.06 53.93 2jqz s HIS 48 Cb -0.10 0.00 0.06 0.00 1.11 0.00 0.00 32.58 33.65 2jqz s HIS 48 CO 0.03 -0.88 0.58 -1.54 -0.85 0.00 0.00 174.74 172.07 2jqz s SER 49 N -3.04 -0.56 0.12 1.40 1.04 -1.26 -0.01 113.70 111.40 2jqz s SER 49 Ca 0.25 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.51 2jqz s SER 49 Cb 0.01 0.79 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 2jqz s SER 49 CO 0.08 -0.41 0.24 0.42 0.98 0.00 0.00 173.24 174.56 2jqz s THR 50 N -0.57 5.23 0.99 2.02 -4.23 0.89 -4.93 115.64 115.04 2jqz s THR 50 Ca -0.07 -0.65 -0.15 0.00 -1.18 0.00 0.00 61.69 59.64 2jqz s THR 50 Cb -0.03 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 2jqz s THR 50 CO 0.05 -0.02 -0.05 0.47 -0.54 0.00 0.00 174.62 174.53 2jqz n ASP 51 N -0.26 -3.11 -4.91 3.99 9.92 -1.26 -2.90 116.55 118.01 2jqz n ASP 51 Ca -0.07 0.21 -0.32 0.00 -0.53 0.00 0.00 54.79 54.08 2jqz n ASP 51 Cb 0.53 -1.02 -0.04 0.00 -0.64 0.00 0.00 41.12 39.95 2jqz n ASP 51 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2jqz s THR 52 N -2.26 5.39 -0.31 -3.53 2.01 -1.26 -4.22 115.64 111.46 2jqz s THR 52 Ca 0.52 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 2jqz s THR 52 Cb -0.17 -3.61 0.06 0.00 0.01 0.00 0.00 72.50 68.79 2jqz s THR 52 CO 0.71 0.18 0.02 -0.69 -0.69 0.00 0.00 174.62 174.15 2jqz s VAL 53 N -1.47 3.02 0.22 3.82 1.01 0.68 -4.97 120.40 122.70 2jqz s VAL 53 Ca 0.33 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 2jqz s VAL 53 Cb -0.13 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 2jqz s VAL 53 CO 0.25 -0.16 1.33 -0.54 0.00 0.00 0.00 175.10 175.98 2jqz s LYS 54 N 1.24 4.37 0.00 2.72 1.02 -1.26 -2.99 119.74 124.84 2jqz s LYS 54 Ca -0.04 2.11 0.00 0.00 0.02 0.00 0.00 55.97 58.06 2jqz s LYS 54 Cb -0.20 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2jqz s LYS 54 CO -0.01 -0.27 0.00 0.27 -0.92 0.00 0.00 175.35 174.42 2jqz n ASN 55 N 2.39 -3.39 -3.65 2.83 0.23 -1.05 -4.98 115.26 107.64 2jqz n ASN 55 Ca 0.06 0.25 -0.15 0.00 -0.53 0.00 0.00 54.58 54.21 2jqz n ASN 55 Cb 0.42 -0.78 -0.08 0.00 -2.08 0.00 0.00 39.78 37.26 2jqz n ASN 55 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2jqz s THR 56 N -0.41 0.02 -0.82 5.53 -1.32 -1.21 -5.00 115.64 112.43 2jqz s THR 56 Ca 0.00 -0.14 0.10 0.00 -1.21 0.00 0.00 61.69 60.44 2jqz s THR 56 Cb 0.00 -0.80 0.28 0.00 -1.51 0.00 0.00 72.50 70.47 2jqz s THR 56 CO 0.00 -0.08 1.23 0.18 -2.21 0.00 0.00 174.62 173.75 2jqz n LEU 57 N 1.67 2.86 -2.80 9.08 4.77 -1.26 -4.67 117.00 126.65 2jqz n LEU 57 Ca -0.18 -2.03 -0.03 0.00 -0.03 0.00 0.00 56.01 53.74 2jqz n LEU 57 Cb 0.56 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2jqz n LEU 57 CO 0.18 0.71 0.15 -0.62 -1.33 0.00 0.00 177.39 176.48 2jqz s ASP 58 N -1.03 -1.34 0.90 -1.43 2.15 -1.26 -1.50 116.67 113.16 2jqz s ASP 58 Ca 0.21 -1.50 -0.06 0.00 0.43 0.00 0.00 52.55 51.64 2jqz s ASP 58 Cb 0.11 1.75 0.10 0.00 -0.30 0.00 0.00 42.92 44.58 2jqz s ASP 58 CO 0.14 -0.06 0.59 -0.81 -0.17 0.00 0.00 175.17 174.86 2jqz n PRO 59 N 3.07 -0.41 -3.54 4.34 -0.04 -1.21 -4.89 135.00 132.31 2jqz n PRO 59 Ca 0.17 -1.04 -0.11 0.00 -0.04 0.00 0.00 63.50 62.48 2jqz n PRO 59 Cb 0.57 -0.57 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 2jqz n PRO 59 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2jqz s LYS 60 N -4.21 0.74 0.00 0.54 0.00 -1.26 -2.22 119.74 113.33 2jqz s LYS 60 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 55.97 56.31 2jqz s LYS 60 Cb -0.01 0.35 0.00 0.00 0.00 0.00 0.00 37.83 38.17 2jqz s LYS 60 CO 0.24 -0.27 0.00 0.91 0.00 0.00 0.00 175.35 176.23 2jqz n TRP 61 N 0.40 0.00 -3.75 1.78 8.01 -1.13 -4.94 117.44 117.82 2jqz n TRP 61 Ca -0.11 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.79 2jqz n TRP 61 Cb 0.59 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.89 2jqz n TRP 61 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2jqz n ASN 62 N -0.92 -3.98 -4.44 -0.99 5.15 0.33 -4.94 115.26 105.47 2jqz n ASN 62 Ca 0.00 -0.66 -0.33 0.00 -0.60 0.00 0.00 54.58 52.98 2jqz n ASN 62 Cb 0.00 -3.24 -0.13 0.00 -0.53 0.00 0.00 39.78 35.88 2jqz n ASN 62 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2jqz s GLN 63 N -6.43 3.47 0.06 1.20 -0.21 -1.00 -4.89 119.66 111.86 2jqz s GLN 63 Ca 0.57 -0.61 0.03 0.00 0.02 0.00 0.00 55.36 55.38 2jqz s GLN 63 Cb -0.30 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 30.92 2jqz s GLN 63 CO 0.70 0.26 0.02 -3.38 -2.12 0.00 0.00 175.29 170.77 2jqz s HIS 64 N 0.28 3.07 -0.04 0.91 -3.43 -1.26 -0.51 115.29 114.31 2jqz s HIS 64 Ca -0.06 0.04 0.06 0.00 -0.80 0.00 0.00 55.06 54.30 2jqz s HIS 64 Cb -0.15 -1.60 -0.01 0.00 -1.43 0.00 0.00 32.58 29.39 2jqz s HIS 64 CO 0.04 0.49 -0.23 0.71 -2.00 0.00 0.00 174.74 173.75 2jqz s TYR 65 N -1.27 2.16 -0.40 0.38 1.51 -0.69 -4.93 117.35 114.11 2jqz s TYR 65 Ca 0.25 -0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 55.72 2jqz s TYR 65 Cb -0.12 -1.41 0.08 0.00 -0.11 0.00 0.00 41.96 40.41 2jqz s TYR 65 CO 0.17 -0.12 0.21 -0.51 -1.11 0.00 0.00 175.55 174.20 2jqz s ASP 66 N -0.33 5.45 0.06 2.29 1.11 -1.26 -1.69 116.67 122.30 2jqz s ASP 66 Ca 0.03 -1.60 0.08 0.00 0.18 0.00 0.00 52.55 51.24 2jqz s ASP 66 Cb -0.11 -1.91 -0.03 0.00 1.07 0.00 0.00 42.92 41.94 2jqz s ASP 66 CO 0.01 -0.50 -0.22 -0.76 1.18 0.00 0.00 175.17 174.88 2jqz s LEU 67 N 1.34 2.21 0.35 1.23 1.43 -1.00 -4.91 118.68 119.33 2jqz s LEU 67 Ca 0.03 -0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 2jqz s LEU 67 Cb -0.23 -0.99 -0.10 0.00 0.03 0.00 0.00 46.19 44.90 2jqz s LEU 67 CO 0.00 0.14 0.95 -0.31 0.23 0.00 0.00 176.35 177.36 2jqz s TYR 68 N -0.91 3.60 -0.23 0.29 2.02 -1.26 -1.44 117.35 119.42 2jqz s TYR 68 Ca 0.08 1.74 0.01 0.00 -0.37 0.00 0.00 57.07 58.53 2jqz s TYR 68 Cb -0.09 -2.90 0.06 0.00 -0.40 0.00 0.00 41.96 38.62 2jqz s TYR 68 CO 0.03 0.13 -0.06 0.42 -1.57 0.00 0.00 175.55 174.50 2jqz s ILE 69 N -1.76 1.52 0.00 2.71 -1.09 0.70 -4.85 121.20 118.43 2jqz s ILE 69 Ca 0.53 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 2jqz s ILE 69 Cb -0.16 -1.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 2jqz s ILE 69 CO 0.21 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.48 2jqz n GLY 70 N 4.68 -1.03 0.28 6.18 0.00 -1.26 -1.31 105.19 112.73 2jqz n GLY 70 Ca -0.12 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 2jqz n GLY 70 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jqz h LYS 71 N 0.00 -0.17 -2.19 1.61 1.63 -2.00 -3.15 116.57 112.29 2jqz h LYS 71 Ca 0.00 0.01 -0.57 0.00 -0.85 0.00 0.00 60.65 59.24 2jqz h LYS 71 Cb 0.00 0.04 -0.41 0.00 -0.60 0.00 0.00 32.23 31.26 2jqz h LYS 71 CO 0.00 -0.12 -0.76 0.45 -3.45 0.00 0.00 179.45 175.57 2jqz n SER 72 N -5.39 3.32 -4.56 4.20 2.88 -1.26 -5.04 113.62 107.78 2jqz n SER 72 Ca 0.01 -3.43 -0.24 0.00 -1.33 0.00 0.00 58.87 53.89 2jqz n SER 72 Cb 0.30 -0.60 -0.09 0.00 -0.75 0.00 0.00 64.21 63.07 2jqz n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jqz s ASP 73 N -2.86 4.00 0.11 -3.46 2.15 -1.19 -5.04 116.67 110.39 2jqz s ASP 73 Ca 0.44 -0.91 -0.13 0.00 0.43 0.00 0.00 52.55 52.39 2jqz s ASP 73 Cb 0.25 -0.52 0.02 0.00 -0.30 0.00 0.00 42.92 42.37 2jqz s ASP 73 CO -0.09 -0.03 0.31 -0.44 -0.17 0.00 0.00 175.17 174.74 2jqz s SER 74 N -3.60 -0.07 0.01 -0.34 0.01 -1.26 -2.81 113.70 105.64 2jqz s SER 74 Ca 0.31 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 57.13 2jqz s SER 74 Cb -0.04 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.59 2jqz s SER 74 CO 0.17 -0.81 -0.13 -0.69 0.41 0.00 0.00 173.24 172.19 2jqz s VAL 75 N -3.84 1.05 -0.20 3.43 1.01 -0.82 -3.75 120.40 117.28 2jqz s VAL 75 Ca 0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2jqz s VAL 75 Cb 0.03 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.55 2jqz s VAL 75 CO -0.11 0.14 -0.02 -0.89 0.00 0.00 0.00 175.10 174.22 2jqz s THR 76 N -0.57 1.08 -0.24 3.92 2.01 -1.08 -1.82 115.64 118.92 2jqz s THR 76 Ca 0.03 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.02 2jqz s THR 76 Cb -0.06 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2jqz s THR 76 CO 0.00 -0.08 0.45 -0.63 -0.69 0.00 0.00 174.62 173.68 2jqz s ILE 77 N 1.61 5.13 0.32 1.82 1.01 -0.08 -2.28 121.20 128.73 2jqz s ILE 77 Ca -0.03 0.77 0.09 0.00 0.00 0.00 0.00 60.65 61.49 2jqz s ILE 77 Cb -0.17 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 2jqz s ILE 77 CO -0.07 0.15 0.03 -0.44 0.00 0.00 0.00 174.94 174.60 2jqz s SER 78 N 1.43 4.34 -0.03 3.58 0.01 -0.65 0.01 113.70 122.38 2jqz s SER 78 Ca 0.19 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.60 2jqz s SER 78 Cb -0.15 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.46 2jqz s SER 78 CO 0.09 -0.19 -0.08 -0.69 0.41 0.00 0.00 173.24 172.79 2jqz s VAL 79 N -2.46 0.72 0.11 3.43 1.01 0.40 -0.42 120.40 123.20 2jqz s VAL 79 Ca 0.34 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.09 2jqz s VAL 79 Cb -0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2jqz s VAL 79 CO 0.20 0.24 -0.13 0.26 0.00 0.00 0.00 175.10 175.68 2jqz s TRP 80 N 0.46 1.30 -0.73 5.22 0.52 -0.86 -1.75 118.94 123.11 2jqz s TRP 80 Ca -0.07 -0.58 -0.21 0.00 0.02 0.00 0.00 56.10 55.26 2jqz s TRP 80 Cb -0.11 -0.69 0.10 0.00 -1.15 0.00 0.00 33.47 31.62 2jqz s TRP 80 CO 0.01 0.10 0.97 -0.80 0.02 0.00 0.00 176.95 177.25 2jqz s ASN 81 N -2.45 6.32 0.37 2.95 0.02 0.38 -2.14 114.94 120.39 2jqz s ASN 81 Ca 0.08 -1.41 0.20 0.00 -1.02 0.00 0.00 52.86 50.71 2jqz s ASN 81 Cb -0.04 -2.39 1.25 0.00 0.02 0.00 0.00 41.25 40.08 2jqz s ASN 81 CO 0.02 -1.26 1.63 -0.74 0.02 0.00 0.00 177.10 176.77 2jqz h HIS 82 N 9.26 0.79 -0.10 2.20 -0.00 -1.06 0.37 115.15 126.62 2jqz h HIS 82 Ca -0.15 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.29 2jqz h HIS 82 Cb 1.06 -0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 28.22 2jqz h HIS 82 CO 1.01 -0.26 -0.17 1.57 -0.00 0.00 0.00 177.93 180.07 2jqz h LYS 83 N 0.18 -0.22 0.00 5.26 5.09 -1.91 -2.72 116.57 122.24 2jqz h LYS 83 Ca 0.78 0.02 -0.15 0.00 0.09 0.00 0.00 60.65 61.39 2jqz h LYS 83 Cb 2.05 0.05 -0.02 0.00 0.10 0.00 0.00 32.23 34.41 2jqz h LYS 83 CO -0.60 -0.15 -0.78 0.87 -2.09 0.00 0.00 179.45 176.70 2jqz h LYS 84 N -0.23 0.00 -0.24 0.07 1.79 -1.21 -2.71 116.57 114.03 2jqz h LYS 84 Ca 0.09 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.63 2jqz h LYS 84 Cb 0.35 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2jqz h LYS 84 CO -0.24 0.61 0.26 -0.84 -1.08 0.00 0.00 179.45 178.16 2jqz h ILE 85 N 0.00 0.47 0.06 1.86 3.07 0.50 1.15 117.51 124.62 2jqz h ILE 85 Ca -0.03 0.00 -0.28 0.00 1.55 0.00 0.00 64.86 66.10 2jqz h ILE 85 Cb 1.53 0.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.86 2jqz h ILE 85 CO 0.08 0.00 -1.44 -0.74 -1.05 0.00 0.00 178.15 175.00 2jqz h HIS 86 N 0.00 0.22 -0.32 0.16 2.76 -1.41 -3.37 115.15 113.18 2jqz h HIS 86 Ca 0.12 -0.16 0.04 0.00 -2.20 0.00 0.00 60.37 58.17 2jqz h HIS 86 Cb 0.63 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.51 2jqz h HIS 86 CO 0.00 1.19 -0.49 -0.22 -1.30 0.00 0.00 177.93 177.12 2jqz h LYS 87 N 0.03 -0.36 0.00 5.26 1.63 0.17 -3.47 116.57 119.83 2jqz h LYS 87 Ca -0.20 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2jqz h LYS 87 Cb 1.95 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.66 2jqz h LYS 87 CO 0.13 -0.24 0.00 1.63 -3.45 0.00 0.00 179.45 177.52 2jqz n LYS 88 N -5.04 0.00 -2.24 1.90 4.76 -0.76 -5.06 118.16 111.73 2jqz n LYS 88 Ca -0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 2jqz n LYS 88 Cb 0.30 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.46 2jqz n LYS 88 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2jqz s GLN 89 N -1.18 4.36 0.00 1.97 0.74 -1.26 -2.92 119.66 121.37 2jqz s GLN 89 Ca 0.00 1.99 0.00 0.00 0.05 0.00 0.00 55.36 57.40 2jqz s GLN 89 Cb 0.00 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.85 2jqz s GLN 89 CO 0.00 -0.36 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 2jqz n GLY 90 N 3.24 2.28 3.67 2.59 0.00 -1.26 -4.95 105.19 110.76 2jqz n GLY 90 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2jqz n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqz s ALA 91 N -0.40 3.63 0.00 4.61 0.00 -1.15 -4.08 121.76 124.38 2jqz s ALA 91 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2jqz s ALA 91 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2jqz s ALA 91 CO 0.00 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.80 2jqz n GLY 92 N 4.23 0.70 3.22 0.00 0.00 -1.26 -0.65 105.19 111.42 2jqz n GLY 92 Ca 0.18 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2jqz n GLY 92 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jqz s PHE 93 N -1.12 2.89 -0.16 1.61 5.36 -1.26 -0.47 117.98 124.84 2jqz s PHE 93 Ca 0.00 -1.31 -0.12 0.00 -0.96 0.00 0.00 56.93 54.54 2jqz s PHE 93 Cb 0.00 -2.02 -0.05 0.00 -0.34 0.00 0.00 43.02 40.61 2jqz s PHE 93 CO 0.00 -0.68 -0.20 1.28 -1.46 0.00 0.00 175.22 174.16 2jqz n LEU 94 N 4.71 1.85 -3.47 6.12 4.77 -0.76 -4.62 117.00 125.59 2jqz n LEU 94 Ca -0.19 0.54 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 2jqz n LEU 94 Cb 0.50 -0.84 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 2jqz n LEU 94 CO 0.27 -0.35 0.92 -0.83 -1.33 0.00 0.00 177.39 176.08 2jqz s GLY 95 N -4.48 0.41 -0.24 -0.72 0.00 -0.71 -3.98 107.32 97.60 2jqz s GLY 95 Ca -0.20 3.68 -0.09 0.00 0.00 0.00 0.00 44.72 48.11 2jqz s GLY 95 CO 0.30 3.01 0.12 0.00 0.00 0.00 0.00 173.10 176.52 2jqz s VAL 97 N 1.17 4.75 -0.09 0.00 0.11 0.10 -4.76 120.40 121.68 2jqz s VAL 97 Ca 0.06 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 2jqz s VAL 97 Cb -0.14 -3.13 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 2jqz s VAL 97 CO 0.05 0.47 -0.18 -0.60 -3.33 0.00 0.00 175.10 171.50 2jqz s ARG 98 N 0.31 2.41 -0.07 1.54 3.52 -1.26 -0.90 118.95 124.50 2jqz s ARG 98 Ca 0.03 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 2jqz s ARG 98 Cb -0.12 -1.92 -0.00 0.00 -1.56 0.00 0.00 34.95 31.35 2jqz s ARG 98 CO 0.00 0.06 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.84 2jqz s LEU 99 N 0.62 1.97 0.00 -0.88 2.01 -0.76 -5.03 118.68 116.61 2jqz s LEU 99 Ca -0.14 -0.45 0.00 0.00 0.01 0.00 0.00 54.13 53.55 2jqz s LEU 99 Cb -0.16 -1.19 0.11 0.00 0.01 0.00 0.00 46.19 44.96 2jqz s LEU 99 CO 0.04 0.16 0.77 0.18 1.01 0.00 0.00 176.35 178.51 2jqz n LEU 100 N 3.32 0.00 -0.10 1.79 4.77 -1.26 -1.94 117.00 123.58 2jqz n LEU 100 Ca -0.19 -1.63 -0.09 0.00 -0.03 0.00 0.00 56.01 54.07 2jqz n LEU 100 Cb 0.52 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2jqz n LEU 100 CO 0.26 -0.87 1.00 0.77 -1.33 0.00 0.00 177.39 177.23 2jqz h SER 101 N -0.44 0.39 -0.53 -1.43 4.64 -1.91 0.28 113.55 114.55 2jqz h SER 101 Ca -0.25 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 2jqz h SER 101 Cb 0.94 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 2jqz h SER 101 CO 0.27 0.30 0.09 0.78 -0.87 0.00 0.00 176.83 177.40 2jqz h ASN 102 N 0.45 0.84 -0.81 4.97 4.21 -1.95 -2.41 115.58 120.89 2jqz h ASN 102 Ca 0.12 -0.26 -0.04 0.00 1.21 0.00 0.00 56.30 57.34 2jqz h ASN 102 Cb -0.04 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 36.90 2jqz h ASN 102 CO -0.03 0.89 0.35 0.00 -1.29 0.00 0.00 177.43 177.35 2jqz h ALA 103 N 0.99 1.05 -0.60 -0.83 0.00 -1.85 -2.33 119.26 115.70 2jqz h ALA 103 Ca 0.16 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2jqz h ALA 103 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jqz h ALA 103 CO 0.01 0.65 0.39 0.82 0.00 0.00 0.00 179.25 181.12 2jqz h ILE 104 N 1.17 1.12 0.40 0.00 5.03 -0.06 0.23 117.51 125.38 2jqz h ILE 104 Ca 0.27 -0.26 -0.02 0.00 -0.12 0.00 0.00 64.86 64.73 2jqz h ILE 104 Cb 0.17 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 2jqz h ILE 104 CO -0.03 0.14 -0.19 -1.13 -0.68 0.00 0.00 178.15 176.26 2jqz h ASN 105 N 0.76 -0.45 -0.37 1.72 -0.00 -0.94 0.31 115.58 116.60 2jqz h ASN 105 Ca 0.23 -0.12 -0.01 0.00 -0.00 0.00 0.00 56.30 56.40 2jqz h ASN 105 Cb -0.01 0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.41 2jqz h ASN 105 CO -0.06 -0.05 0.21 0.03 -0.00 0.00 0.00 177.43 177.56 2jqz h ARG 106 N -0.95 0.52 -0.31 6.67 3.08 -1.31 -2.92 114.38 119.16 2jqz h ARG 106 Ca -0.05 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 2jqz h ARG 106 Cb 0.55 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2jqz h ARG 106 CO 0.09 0.42 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.25 2jqz h LEU 107 N 0.48 0.61 -1.96 3.04 3.38 -0.63 -2.44 115.31 117.79 2jqz h LEU 107 Ca 0.13 -0.37 0.24 0.00 0.09 0.00 0.00 57.88 57.97 2jqz h LEU 107 Cb 0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2jqz h LEU 107 CO -0.02 0.84 0.59 0.07 0.09 0.00 0.00 178.44 180.01 2jqz h LYS 108 N 0.37 0.03 0.00 1.13 2.10 -0.19 0.22 116.57 120.24 2jqz h LYS 108 Ca 0.08 -0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.56 2jqz h LYS 108 Cb 0.57 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.87 2jqz h LYS 108 CO 0.03 0.02 -1.46 -3.47 -2.00 0.00 0.00 179.45 172.58 2jqz n ASP 109 N -4.31 0.81 0.25 7.07 2.03 -1.12 -3.06 116.55 118.22 2jqz n ASP 109 Ca 0.17 0.36 -0.10 0.00 0.52 0.00 0.00 54.79 55.73 2jqz n ASP 109 Cb 0.88 0.24 -0.05 0.00 -0.72 0.00 0.00 41.12 41.47 2jqz n ASP 109 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2jqz h THR 110 N 0.00 0.00 0.00 5.18 1.35 -0.07 -3.48 112.91 115.89 2jqz h THR 110 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2jqz h THR 110 Cb 1.58 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2jqz h THR 110 CO 0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 2jqz n GLY 111 N -1.34 1.02 3.15 5.82 0.00 -0.82 -4.95 105.19 108.07 2jqz n GLY 111 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.00 2jqz n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqz s TYR 112 N -2.00 -0.20 -0.07 1.61 2.02 -1.26 -4.19 117.35 113.26 2jqz s TYR 112 Ca 0.00 0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 2jqz s TYR 112 Cb 0.00 0.07 0.01 0.00 -0.40 0.00 0.00 41.96 41.64 2jqz s TYR 112 CO 0.00 -0.11 -0.12 -0.65 -1.57 0.00 0.00 175.55 173.10 2jqz s GLN 113 N 2.98 1.76 -0.51 -0.62 -1.52 0.31 -4.90 119.66 117.16 2jqz s GLN 113 Ca -0.06 -0.42 -0.16 0.00 -1.95 0.00 0.00 55.36 52.77 2jqz s GLN 113 Cb -0.08 -1.49 0.10 0.00 -0.22 0.00 0.00 33.01 31.32 2jqz s GLN 113 CO -0.09 -0.01 0.47 1.03 -0.25 0.00 0.00 175.29 176.45 2jqz s ARG 114 N 0.79 2.99 -0.23 2.91 0.52 -1.26 -0.97 118.95 123.70 2jqz s ARG 114 Ca -0.12 -1.51 -0.12 0.00 -0.52 0.00 0.00 55.73 53.47 2jqz s ARG 114 Cb -0.15 -4.22 -0.05 0.00 0.52 0.00 0.00 34.95 31.05 2jqz s ARG 114 CO 0.02 -1.21 0.22 -0.51 0.02 0.00 0.00 175.30 173.84 2jqz s LEU 115 N 1.72 4.12 -0.03 2.53 2.01 -0.01 -4.93 118.68 124.10 2jqz s LEU 115 Ca 0.04 0.21 -0.30 0.00 0.01 0.00 0.00 54.13 54.10 2jqz s LEU 115 Cb -0.27 -2.21 -0.05 0.00 0.01 0.00 0.00 46.19 43.67 2jqz s LEU 115 CO 0.05 0.02 1.42 -1.81 1.01 0.00 0.00 176.35 177.05 2jqz s ASP 116 N 1.07 6.83 -0.24 2.29 1.11 -1.26 -1.14 116.67 125.33 2jqz s ASP 116 Ca 0.10 2.08 -0.26 0.00 0.18 0.00 0.00 52.55 54.65 2jqz s ASP 116 Cb -0.14 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.30 2jqz s ASP 116 CO 0.05 -0.76 0.92 -0.76 1.18 0.00 0.00 175.17 175.81 2jqz s LEU 117 N 2.80 4.09 0.28 1.23 1.43 0.12 -4.90 118.68 123.72 2jqz s LEU 117 Ca 0.64 1.17 -0.09 0.00 -1.03 0.00 0.00 54.13 54.82 2jqz s LEU 117 Cb -0.30 -3.34 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 2jqz s LEU 117 CO 0.25 -0.59 0.47 0.00 0.23 0.00 0.00 176.35 176.72 2jqz s LYS 119 N -3.67 1.55 0.41 0.00 0.00 -1.26 -3.96 119.74 112.82 2jqz s LYS 119 Ca 0.25 1.53 0.10 0.00 0.00 0.00 0.00 55.97 57.85 2jqz s LYS 119 Cb -0.00 -1.79 0.92 0.00 0.00 0.00 0.00 37.83 36.96 2jqz s LYS 119 CO 0.12 -2.23 2.00 -0.07 0.00 0.00 0.00 175.35 175.17 2jqz h LEU 120 N -1.32 0.46 -8.17 2.77 -0.00 -1.98 -3.45 115.31 103.61 2jqz h LEU 120 Ca -0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.42 2jqz h LEU 120 Cb 1.27 -0.10 -0.08 0.00 -0.00 0.00 0.00 40.66 41.75 2jqz h LEU 120 CO 0.46 0.30 -0.01 -0.83 -0.00 0.00 0.00 178.44 178.35 2jqz s GLY 121 N -3.71 0.37 -0.15 0.83 0.00 -1.26 -5.09 107.32 98.31 2jqz s GLY 121 Ca -0.08 -0.73 -0.21 0.00 0.00 0.00 0.00 44.72 43.70 2jqz s GLY 121 CO 0.75 -0.47 0.50 -0.56 0.00 0.00 0.00 173.10 173.32 2jqz h PRO 122 N 2.17 0.10 -0.95 2.90 0.13 -2.03 -3.35 132.00 130.97 2jqz h PRO 122 Ca -0.24 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2jqz h PRO 122 Cb 1.25 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jqz h PRO 122 CO 0.32 1.08 0.00 0.27 -0.23 0.00 0.00 178.00 179.44 2jqz n ASN 123 N -4.28 1.37 -0.00 1.44 0.23 -1.26 -2.98 115.26 109.78 2jqz n ASN 123 Ca -0.23 -1.81 0.08 0.00 -0.53 0.00 0.00 54.58 52.09 2jqz n ASN 123 Cb 0.71 -0.45 -0.10 0.00 -2.08 0.00 0.00 39.78 37.86 2jqz n ASN 123 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2jqz n ASP 124 N 0.18 0.83 -2.93 0.53 9.92 -1.26 -5.05 116.55 118.77 2jqz n ASP 124 Ca 0.00 -0.90 -0.02 0.00 -0.53 0.00 0.00 54.79 53.34 2jqz n ASP 124 Cb 0.28 1.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.78 2jqz n ASP 124 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2jqz n ASN 125 N -1.43 -7.42 -1.67 -2.24 4.13 -1.16 -5.04 115.26 100.43 2jqz n ASN 125 Ca 0.03 0.97 0.00 0.00 1.68 0.00 0.00 54.58 57.26 2jqz n ASN 125 Cb 0.28 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.67 2jqz n ASN 125 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2jqz n ASP 126 N 0.85 1.75 -2.68 6.41 9.92 -1.26 -5.08 116.55 126.46 2jqz n ASP 126 Ca 0.00 -0.89 -0.19 0.00 -0.53 0.00 0.00 54.79 53.18 2jqz n ASP 126 Cb 0.23 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 2jqz n ASP 126 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2jqz n THR 127 N 0.00 1.63 -3.53 -3.53 -2.24 -1.26 -5.09 114.28 100.26 2jqz n THR 127 Ca 0.00 -4.25 -0.21 0.00 -2.27 0.00 0.00 64.05 57.32 2jqz n THR 127 Cb 0.00 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 2jqz n THR 127 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jqz s VAL 128 N -4.13 4.58 0.00 2.28 0.11 -1.26 -4.82 120.40 117.17 2jqz s VAL 128 Ca 0.39 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 2jqz s VAL 128 Cb 0.40 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 2jqz s VAL 128 CO -0.08 -0.30 0.00 -1.14 -3.33 0.00 0.00 175.10 170.25 2jqz n ARG 129 N -1.66 0.00 -3.78 1.54 0.63 -1.26 -4.95 116.66 107.18 2jqz n ARG 129 Ca -0.03 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.92 2jqz n ARG 129 Cb 0.57 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.49 2jqz n ARG 129 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2jqz s GLY 130 N 0.00 -0.31 0.23 5.14 0.00 -0.85 -2.11 107.32 109.42 2jqz s GLY 130 Ca 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 44.72 45.17 2jqz s GLY 130 CO 0.00 2.78 0.18 1.20 0.00 0.00 0.00 173.10 177.26 2jqz s GLN 131 N -2.16 1.34 -0.17 2.90 1.11 0.17 0.14 119.66 122.98 2jqz s GLN 131 Ca 0.22 -1.68 -0.22 0.00 0.01 0.00 0.00 55.36 53.69 2jqz s GLN 131 Cb 0.03 0.30 0.06 0.00 -1.01 0.00 0.00 33.01 32.38 2jqz s GLN 131 CO -0.03 -0.46 0.58 -1.50 0.01 0.00 0.00 175.29 173.89 2jqz s ILE 132 N -4.00 0.01 -0.20 1.08 2.07 -0.29 -0.67 121.20 119.19 2jqz s ILE 132 Ca 0.38 -0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.56 2jqz s ILE 132 Cb 0.06 -0.84 -0.00 0.00 0.13 0.00 0.00 42.46 41.81 2jqz s ILE 132 CO 0.15 -0.02 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.37 2jqz s VAL 133 N -0.09 2.98 0.38 4.00 1.01 0.51 -0.83 120.40 128.35 2jqz s VAL 133 Ca -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2jqz s VAL 133 Cb -0.04 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2jqz s VAL 133 CO 0.03 0.46 0.04 1.33 0.00 0.00 0.00 175.10 176.96 2jqz n VAL 134 N 4.67 0.00 -3.71 2.92 0.24 -0.14 -1.64 118.33 120.67 2jqz n VAL 134 Ca -0.19 -1.92 -0.14 0.00 -2.04 0.00 0.00 64.34 60.05 2jqz n VAL 134 Cb 0.51 0.50 -0.14 0.00 -1.47 0.00 0.00 33.84 33.24 2jqz n VAL 134 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2jqz s SER 135 N -3.16 0.06 -0.31 -1.34 1.04 -0.10 -0.53 113.70 109.36 2jqz s SER 135 Ca 0.06 0.44 -0.08 0.00 0.48 0.00 0.00 55.95 56.85 2jqz s SER 135 Cb 0.00 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.50 2jqz s SER 135 CO 0.04 -0.19 0.11 -0.76 0.98 0.00 0.00 173.24 173.43 2jqz s LEU 136 N 1.61 4.04 -0.02 2.42 2.01 -1.26 -1.01 118.68 126.46 2jqz s LEU 136 Ca -0.05 -0.75 -0.03 0.00 0.01 0.00 0.00 54.13 53.30 2jqz s LEU 136 Cb -0.11 -1.92 0.00 0.00 0.01 0.00 0.00 46.19 44.18 2jqz s LEU 136 CO -0.07 -0.23 0.08 -1.58 1.01 0.00 0.00 176.35 175.56 2jqz s GLN 137 N 1.51 0.17 0.51 1.70 0.74 -0.94 -1.95 119.66 121.40 2jqz s GLN 137 Ca 0.02 -0.03 -0.20 0.00 0.05 0.00 0.00 55.36 55.21 2jqz s GLN 137 Cb -0.18 0.07 -0.07 0.00 1.10 0.00 0.00 33.01 33.94 2jqz s GLN 137 CO 0.04 -0.03 1.08 -1.54 -0.55 0.00 0.00 175.29 174.29 2jqz s SER 138 N -0.30 6.06 0.19 6.67 1.04 -1.21 -1.63 113.70 124.51 2jqz s SER 138 Ca -0.04 2.06 -0.30 0.00 0.48 0.00 0.00 55.95 58.15 2jqz s SER 138 Cb -0.03 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 2jqz s SER 138 CO 0.00 -0.98 1.14 -0.60 0.98 0.00 0.00 173.24 173.78 2jqz s ARG 139 N -3.23 4.55 0.00 4.02 3.00 -0.44 -4.83 118.95 122.03 2jqz s ARG 139 Ca 0.70 1.79 0.05 0.00 -1.00 0.00 0.00 55.73 57.27 2jqz s ARG 139 Cb -0.20 -3.26 0.04 0.00 0.00 0.00 0.00 34.95 31.53 2jqz s ARG 139 CO 0.24 0.01 0.65 -0.40 0.00 0.00 0.00 175.30 175.80