#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jci n THR 2 N 0.00 1.05 -1.70 12.58 5.66 -1.26 -4.89 114.28 125.72 1jci n THR 2 Ca 0.00 -0.26 -0.44 0.00 -3.05 0.00 0.00 64.05 60.30 1jci n THR 2 Cb 0.00 -1.70 -0.03 0.00 -1.55 0.00 0.00 70.33 67.05 1jci n THR 2 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1jci n PRO 3 N 1.99 2.37 -3.03 1.09 -0.02 -1.26 -4.99 135.00 131.15 1jci n PRO 3 Ca 0.10 0.85 -0.30 0.00 -2.02 0.00 0.00 63.50 62.12 1jci n PRO 3 Cb 0.34 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.19 1jci n PRO 3 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jci s LEU 4 N 0.23 3.93 -0.16 2.45 1.02 -1.26 -5.07 118.68 119.82 1jci s LEU 4 Ca 0.70 1.06 -0.04 0.00 0.02 0.00 0.00 54.13 55.87 1jci s LEU 4 Cb -0.59 -3.91 -0.03 0.00 0.02 0.00 0.00 46.19 41.69 1jci s LEU 4 CO 0.45 -0.31 -0.03 -0.69 0.02 0.00 0.00 176.35 175.79 1jci s VAL 5 N -2.22 3.92 -0.43 -1.59 1.01 -1.26 -4.85 120.40 114.99 1jci s VAL 5 Ca 0.50 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1jci s VAL 5 Cb -0.10 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.64 1jci s VAL 5 CO 0.28 0.48 0.26 -1.00 0.00 0.00 0.00 175.10 175.12 1jci s HIS 6 N 0.49 3.40 -0.15 5.22 3.76 -1.26 -5.04 115.29 121.71 1jci s HIS 6 Ca -0.03 -1.80 -0.20 0.00 -0.15 0.00 0.00 55.06 52.88 1jci s HIS 6 Cb -0.14 -3.12 -0.03 0.00 1.11 0.00 0.00 32.58 30.40 1jci s HIS 6 CO 0.03 -0.91 0.59 0.08 -0.85 0.00 0.00 174.74 173.68 1jci s VAL 7 N 1.35 5.08 0.20 -0.90 1.01 -1.26 -0.05 120.40 125.83 1jci s VAL 7 Ca 0.04 1.15 -0.31 0.00 0.00 0.00 0.00 61.98 62.87 1jci s VAL 7 Cb -0.24 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 1jci s VAL 7 CO -0.00 0.20 1.50 0.00 0.00 0.00 0.00 175.10 176.80 1jci s ALA 8 N 1.35 3.70 -0.22 5.51 0.00 -0.18 -4.88 121.76 127.04 1jci s ALA 8 Ca 0.29 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.59 1jci s ALA 8 Cb -0.16 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.43 1jci s ALA 8 CO 0.12 -0.76 -0.01 0.45 0.00 0.00 0.00 175.76 175.55 1jci s SER 9 N 0.76 3.51 0.11 0.00 0.15 0.12 -4.70 113.70 113.65 1jci s SER 9 Ca 0.65 -1.06 -0.33 0.00 0.70 0.00 0.00 55.95 55.90 1jci s SER 9 Cb -0.43 -0.95 -0.13 0.00 -1.71 0.00 0.00 66.02 62.80 1jci s SER 9 CO 0.37 -0.27 1.69 0.52 1.20 0.00 0.00 173.24 176.76 1jci n VAL 10 N 4.82 0.17 -1.63 4.45 0.31 -1.26 -4.26 118.33 120.93 1jci n VAL 10 Ca -0.10 -0.03 -0.53 0.00 -0.01 0.00 0.00 64.34 63.67 1jci n VAL 10 Cb 0.45 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.57 1jci n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jci n GLU 11 N 4.44 1.30 -1.21 5.55 4.71 -1.26 -4.62 120.64 129.55 1jci n GLU 11 Ca 0.18 0.47 -0.50 0.00 -0.01 0.00 0.00 57.16 57.30 1jci n GLU 11 Cb 0.31 -2.14 -0.08 0.00 -1.01 0.00 0.00 31.44 28.51 1jci n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1jci n LYS 12 N 3.47 0.00 -0.84 3.49 3.00 -1.26 -1.19 118.16 124.83 1jci n LYS 12 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1jci n LYS 12 Cb 0.19 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1jci n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jci n GLY 13 N 4.15 0.25 3.84 3.14 0.00 -1.26 -4.99 105.19 110.32 1jci n GLY 13 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 1jci n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jci s ARG 14 N -1.01 4.05 0.15 1.61 1.81 -0.33 -5.08 118.95 120.15 1jci s ARG 14 Ca 0.00 0.86 0.03 0.00 -1.72 0.00 0.00 55.73 54.90 1jci s ARG 14 Cb 0.00 -2.28 -0.01 0.00 -0.45 0.00 0.00 34.95 32.21 1jci s ARG 14 CO 0.00 -0.02 0.15 -1.13 -0.68 0.00 0.00 175.30 173.62 1jci n SER 15 N -0.82 -0.39 -0.25 0.23 3.41 -1.26 -4.88 113.62 109.66 1jci n SER 15 Ca 0.05 -1.96 0.03 0.00 -0.26 0.00 0.00 58.87 56.73 1jci n SER 15 Cb 0.54 0.84 0.12 0.00 -0.26 0.00 0.00 64.21 65.44 1jci n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1jci h TYR 16 N 1.48 -0.24 -0.81 7.33 5.03 -1.99 -1.21 116.97 126.55 1jci h TYR 16 Ca -0.11 0.06 0.13 0.00 2.58 0.00 0.00 58.73 61.39 1jci h TYR 16 Cb 0.54 0.22 -0.09 0.00 1.55 0.00 0.00 36.73 38.95 1jci h TYR 16 CO 0.00 -0.28 0.41 1.05 -1.32 0.00 0.00 178.16 178.02 1jci h GLU 17 N 0.04 0.60 -0.29 1.82 4.11 -1.99 -0.69 114.58 118.19 1jci h GLU 17 Ca 0.38 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.76 1jci h GLU 17 Cb 0.62 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1jci h GLU 17 CO -0.71 0.40 0.15 -0.44 0.07 0.00 0.00 179.01 178.48 1jci h ASP 18 N 0.62 0.36 0.47 3.06 5.19 -1.62 -2.48 116.42 122.02 1jci h ASP 18 Ca 0.43 -0.10 -0.13 0.00 -0.62 0.00 0.00 57.03 56.62 1jci h ASP 18 Cb 0.56 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1jci h ASP 18 CO -0.33 0.35 -0.56 -0.26 -3.12 0.00 0.00 179.24 175.32 1jci h PHE 19 N 0.34 0.12 -0.40 4.55 -1.00 -1.25 -2.55 116.94 116.76 1jci h PHE 19 Ca 0.10 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 1jci h PHE 19 Cb 0.08 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 1jci h PHE 19 CO -0.03 0.63 0.05 0.37 -1.61 0.00 0.00 178.31 177.73 1jci h GLN 20 N 0.07 0.60 -0.64 1.51 5.75 -0.99 0.86 115.11 122.27 1jci h GLN 20 Ca -0.00 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 1jci h GLN 20 Cb 1.01 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.44 1jci h GLN 20 CO 0.08 0.59 0.20 0.87 -2.65 0.00 0.00 178.83 177.92 1jci h LYS 21 N 0.58 0.99 -0.39 1.69 1.57 -1.04 0.21 116.57 120.18 1jci h LYS 21 Ca 0.13 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1jci h LYS 21 Cb 0.29 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1jci h LYS 21 CO 0.00 0.87 -0.07 0.28 -0.57 0.00 0.00 179.45 179.96 1jci h VAL 22 N 0.92 1.27 -0.25 0.50 2.07 -1.10 -1.04 116.25 118.61 1jci h VAL 22 Ca 0.21 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.63 1jci h VAL 22 Cb 0.29 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1jci h VAL 22 CO -0.01 0.38 -0.01 0.22 0.02 0.00 0.00 177.57 178.17 1jci h TYR 23 N 0.55 -0.04 -0.87 1.57 3.20 -0.50 -1.23 116.97 119.65 1jci h TYR 23 Ca 0.10 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1jci h TYR 23 Cb 0.58 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1jci h TYR 23 CO 0.05 -0.05 0.57 -0.91 -1.64 0.00 0.00 178.16 176.17 1jci h ASN 24 N 0.06 0.95 -0.51 -2.11 -0.26 -0.34 0.78 115.58 114.15 1jci h ASN 24 Ca 0.12 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 1jci h ASN 24 Cb 0.16 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 1jci h ASN 24 CO -0.21 0.66 0.25 0.00 -1.06 0.00 0.00 177.43 177.07 1jci h ALA 25 N 1.35 0.65 -0.13 -0.83 0.00 -0.61 0.21 119.26 119.89 1jci h ALA 25 Ca 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1jci h ALA 25 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1jci h ALA 25 CO -0.11 0.20 0.05 0.82 0.00 0.00 0.00 179.25 180.21 1jci h ILE 26 N 0.67 1.16 -0.75 0.00 2.04 -0.74 -1.86 117.51 118.03 1jci h ILE 26 Ca 0.17 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1jci h ILE 26 Cb 0.10 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1jci h ILE 26 CO -0.02 0.15 0.48 0.00 0.00 0.00 0.00 178.15 178.76 1jci h ALA 27 N 0.88 0.96 -0.54 1.87 0.00 -0.60 -0.51 119.26 121.31 1jci h ALA 27 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1jci h ALA 27 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jci h ALA 27 CO -0.00 0.40 0.07 -0.07 0.00 0.00 0.00 179.25 179.64 1jci h LEU 28 N 1.02 0.82 -0.65 0.00 3.38 -0.48 -1.98 115.31 117.42 1jci h LEU 28 Ca 0.27 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1jci h LEU 28 Cb -0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1jci h LEU 28 CO -0.06 0.85 -0.65 0.50 0.09 0.00 0.00 178.44 179.17 1jci h LYS 29 N 0.82 0.10 -0.66 1.13 3.64 -0.91 -1.34 116.57 119.34 1jci h LYS 29 Ca 0.17 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1jci h LYS 29 Cb 0.39 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1jci h LYS 29 CO 0.01 0.72 0.21 -0.07 -2.27 0.00 0.00 179.45 178.05 1jci h LEU 30 N 0.07 0.94 -0.21 5.20 3.38 -0.64 -0.44 115.31 123.62 1jci h LEU 30 Ca -0.01 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1jci h LEU 30 Cb 1.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1jci h LEU 30 CO 0.09 0.88 -0.37 -0.09 0.09 0.00 0.00 178.44 179.04 1jci h ARG 31 N 0.98 0.62 0.13 1.13 2.43 -1.15 -3.35 114.38 115.16 1jci h ARG 31 Ca 0.22 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1jci h ARG 31 Cb 0.27 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1jci h ARG 31 CO -0.01 1.00 -0.06 1.49 -1.51 0.00 0.00 179.97 180.88 1jci h GLU 32 N 0.30 -0.17 -3.19 0.20 4.57 -0.93 -3.32 114.58 112.05 1jci h GLU 32 Ca 0.01 0.01 -0.73 0.00 -1.18 0.00 0.00 59.36 57.47 1jci h GLU 32 Cb 0.96 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.49 1jci h GLU 32 CO 0.08 0.12 2.63 -0.25 -1.18 0.00 0.00 179.01 180.41 1jci n ASP 33 N -5.04 6.52 -0.04 1.04 10.43 -0.20 -4.71 116.55 124.55 1jci n ASP 33 Ca -0.09 -2.99 0.14 0.00 2.57 0.00 0.00 54.79 54.42 1jci n ASP 33 Cb 0.20 -1.48 0.60 0.00 1.84 0.00 0.00 41.12 42.28 1jci n ASP 33 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1jci n ASP 34 N 3.43 0.22 0.18 -2.24 3.85 -1.25 -3.92 116.55 116.81 1jci n ASP 34 Ca 0.56 -0.12 0.10 0.00 -0.71 0.00 0.00 54.79 54.62 1jci n ASP 34 Cb 0.31 -0.20 0.11 0.00 -1.35 0.00 0.00 41.12 39.98 1jci n ASP 34 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1jci h GLU 35 N 0.19 0.00 -6.42 0.11 5.08 -1.90 -3.35 114.58 108.30 1jci h GLU 35 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1jci h GLU 35 Cb 0.40 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.75 1jci h GLU 35 CO 0.00 0.09 0.15 0.98 -1.00 0.00 0.00 179.01 179.23 1jci n TYR 36 N -3.03 1.23 -3.67 4.33 4.19 -1.25 -1.43 117.16 117.52 1jci n TYR 36 Ca 0.02 0.70 -0.29 0.00 3.31 0.00 0.00 57.90 61.64 1jci n TYR 36 Cb 0.58 -2.25 0.04 0.00 0.49 0.00 0.00 39.34 38.20 1jci n TYR 36 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1jci n ASP 37 N 1.51 -4.79 -3.89 2.98 -0.08 -1.26 -1.44 116.55 109.56 1jci n ASP 37 Ca 0.11 -0.98 -0.26 0.00 -1.51 0.00 0.00 54.79 52.15 1jci n ASP 37 Cb 0.30 -3.52 0.00 0.00 2.34 0.00 0.00 41.12 40.24 1jci n ASP 37 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1jci n ASN 38 N -2.76 -1.43 -0.95 1.67 3.02 -1.16 -2.05 115.26 111.60 1jci n ASN 38 Ca -0.12 -0.92 -0.12 0.00 -0.03 0.00 0.00 54.58 53.39 1jci n ASN 38 Cb 0.60 -3.45 -0.05 0.00 -0.61 0.00 0.00 39.78 36.27 1jci n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jci n TYR 39 N -4.40 0.00 0.09 3.10 4.02 -0.51 -4.88 117.16 114.58 1jci n TYR 39 Ca -0.23 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.53 1jci n TYR 39 Cb 0.64 -2.27 -0.09 0.00 -0.02 0.00 0.00 39.34 37.61 1jci n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1jci h ILE 40 N 0.00 1.50 0.00 -0.72 2.04 -0.75 -3.47 117.51 116.12 1jci h ILE 40 Ca -0.25 -2.88 0.00 0.00 1.00 0.00 0.00 64.86 62.73 1jci h ILE 40 Cb 0.81 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1jci h ILE 40 CO 0.37 0.84 0.00 0.61 0.00 0.00 0.00 178.15 179.97 1jci n GLY 41 N 1.25 0.01 0.10 5.37 0.00 -0.52 -4.62 105.19 106.78 1jci n GLY 41 Ca -0.06 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.29 1jci n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jci n TYR 42 N 0.14 0.00 0.11 1.61 4.02 -1.26 -4.37 117.16 117.41 1jci n TYR 42 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 1jci n TYR 42 Cb 0.00 -0.06 -0.10 0.00 -0.02 0.00 0.00 39.34 39.16 1jci n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1jci h GLY 43 N 4.97 -1.16 0.40 2.72 0.00 -1.93 -1.98 103.07 106.09 1jci h GLY 43 Ca 0.00 0.65 0.07 0.00 0.00 0.00 0.00 47.33 48.05 1jci h GLY 43 CO 0.00 -0.26 0.05 -2.55 0.00 0.00 0.00 176.54 173.77 1jci h PRO 44 N -0.76 0.16 0.00 4.80 0.11 -1.86 -2.09 132.00 132.36 1jci h PRO 44 Ca -0.01 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1jci h PRO 44 Cb 0.76 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1jci h PRO 44 CO -0.29 0.11 -0.25 -0.24 -0.21 0.00 0.00 178.00 177.11 1jci h VAL 45 N 0.17 1.10 -0.24 3.15 3.04 -1.81 -1.21 116.25 120.45 1jci h VAL 45 Ca 0.21 -0.89 -0.15 0.00 -1.01 0.00 0.00 66.70 64.86 1jci h VAL 45 Cb 0.28 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1jci h VAL 45 CO -0.31 0.25 -0.48 -0.07 -1.01 0.00 0.00 177.57 175.95 1jci h LEU 46 N 0.00 0.68 -0.38 3.16 3.38 -0.73 -0.11 115.31 121.32 1jci h LEU 46 Ca -0.00 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1jci h LEU 46 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jci h LEU 46 CO 0.03 1.05 -0.10 0.58 0.09 0.00 0.00 178.44 180.09 1jci h VAL 47 N 0.50 1.28 -0.27 1.22 2.07 -0.80 -1.60 116.25 118.65 1jci h VAL 47 Ca 0.03 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 1jci h VAL 47 Cb 1.02 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1jci h VAL 47 CO 0.10 0.40 -0.13 -0.09 0.02 0.00 0.00 177.57 177.86 1jci h ARG 48 N 0.54 0.46 -0.38 1.57 2.43 -1.08 -1.75 114.38 116.17 1jci h ARG 48 Ca 0.09 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1jci h ARG 48 Cb 0.62 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1jci h ARG 48 CO 0.04 0.58 0.10 1.25 -1.51 0.00 0.00 179.97 180.44 1jci h LEU 49 N 0.42 0.56 -0.94 3.80 5.85 -0.72 0.64 115.31 124.93 1jci h LEU 49 Ca 0.08 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1jci h LEU 49 Cb 0.48 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1jci h LEU 49 CO 0.03 0.63 0.56 0.00 -0.34 0.00 0.00 178.44 179.33 1jci h ALA 50 N 0.95 1.19 -0.22 1.25 0.00 -0.93 -1.40 119.26 120.10 1jci h ALA 50 Ca 0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1jci h ALA 50 Cb 0.28 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jci h ALA 50 CO -0.00 0.65 -0.29 2.35 0.00 0.00 0.00 179.25 181.96 1jci h TRP 51 N 1.29 0.72 -0.04 0.00 2.91 -1.01 -2.70 115.95 117.12 1jci h TRP 51 Ca 0.34 -0.23 -0.11 0.00 1.13 0.00 0.00 58.89 60.02 1jci h TRP 51 Cb -0.05 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.44 1jci h TRP 51 CO 0.00 0.95 -0.47 0.45 -1.03 0.00 0.00 178.44 178.34 1jci h HIS 52 N 0.28 0.11 0.00 2.65 3.86 -0.73 0.84 115.15 122.16 1jci h HIS 52 Ca 0.03 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1jci h HIS 52 Cb 0.86 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 1jci h HIS 52 CO 0.08 0.55 -0.06 1.79 0.86 0.00 0.00 177.93 181.16 1jci h THR 53 N 0.08 0.11 0.02 2.45 1.35 -1.27 -3.24 112.91 112.41 1jci h THR 53 Ca 0.00 -0.90 -0.36 0.00 -0.55 0.00 0.00 66.41 64.60 1jci h THR 53 Cb 0.86 1.81 -0.06 0.00 -1.73 0.00 0.00 68.15 69.04 1jci h THR 53 CO 0.07 0.05 -2.26 -1.20 -0.25 0.00 0.00 175.52 171.93 1jci n SER 54 N -3.13 1.13 0.00 5.36 7.64 -0.98 -3.34 113.62 120.31 1jci n SER 54 Ca 0.02 0.05 0.04 0.00 1.01 0.00 0.00 58.87 59.99 1jci n SER 54 Cb 0.45 0.07 0.24 0.00 -1.01 0.00 0.00 64.21 63.96 1jci n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jci n GLY 55 N 1.93 -0.40 0.05 0.23 0.00 0.29 -2.40 105.19 104.88 1jci n GLY 55 Ca -0.35 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 45.76 1jci n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jci n THR 56 N -1.13 0.00 -1.73 2.61 -2.24 -1.25 -4.68 114.28 105.86 1jci n THR 56 Ca 0.05 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 1jci n THR 56 Cb 0.05 -0.22 0.02 0.00 -2.10 0.00 0.00 70.33 68.07 1jci n THR 56 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1jci n TRP 57 N -1.23 2.40 -3.88 4.78 -0.00 -1.01 -4.27 117.44 114.23 1jci n TRP 57 Ca 0.11 0.46 -0.29 0.00 -0.00 0.00 0.00 57.50 57.78 1jci n TRP 57 Cb 0.29 -2.41 -0.16 0.00 -0.00 0.00 0.00 31.31 29.03 1jci n TRP 57 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1jci s ASP 58 N -0.56 3.45 0.65 5.87 -1.08 -0.84 -4.60 116.67 119.56 1jci s ASP 58 Ca 0.62 -1.01 0.39 0.00 -0.52 0.00 0.00 52.55 52.04 1jci s ASP 58 Cb -0.47 -0.98 2.16 0.00 -1.46 0.00 0.00 42.92 42.17 1jci s ASP 58 CO 0.57 -0.25 2.28 0.07 0.52 0.00 0.00 175.17 178.35 1jci h LYS 59 N 8.06 0.00 -0.17 4.34 2.10 -1.73 0.61 116.57 129.78 1jci h LYS 59 Ca -0.18 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.34 1jci h LYS 59 Cb 1.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1jci h LYS 59 CO 0.39 0.00 -0.45 0.45 -2.00 0.00 0.00 179.45 177.84 1jci h HIS 60 N 0.00 0.52 0.00 0.07 3.86 -1.95 -3.36 115.15 114.29 1jci h HIS 60 Ca 0.01 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1jci h HIS 60 Cb 0.13 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1jci h HIS 60 CO 0.00 0.81 0.00 -0.40 0.86 0.00 0.00 177.93 179.20 1jci n ASP 61 N -4.00 0.43 -2.22 2.45 5.68 -1.10 -4.99 116.55 112.81 1jci n ASP 61 Ca -0.02 -1.18 -0.20 0.00 -0.50 0.00 0.00 54.79 52.89 1jci n ASP 61 Cb 0.53 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1jci n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jci n ASN 62 N -0.09 -5.60 -4.90 -1.12 5.15 0.19 -4.13 115.26 104.75 1jci n ASN 62 Ca 0.00 0.11 -0.28 0.00 -0.60 0.00 0.00 54.58 53.81 1jci n ASN 62 Cb 0.37 -4.73 0.02 0.00 -0.53 0.00 0.00 39.78 34.91 1jci n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jci s THR 63 N -2.93 4.09 0.00 -0.44 -4.23 -1.24 -4.84 115.64 106.06 1jci s THR 63 Ca 0.00 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1jci s THR 63 Cb 0.00 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1jci s THR 63 CO 0.00 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1jci n GLY 64 N -2.64 0.06 0.00 3.99 0.00 -1.26 -1.98 105.19 103.35 1jci n GLY 64 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1jci n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jci n GLY 65 N 0.00 -0.02 0.20 -0.02 0.00 -1.26 -4.70 105.19 99.39 1jci n GLY 65 Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.31 1jci n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jci h SER 66 N 0.00 0.00 -0.44 1.61 4.64 -1.74 -3.38 113.55 114.24 1jci h SER 66 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1jci h SER 66 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1jci h SER 66 CO 0.00 0.29 -0.37 0.22 -0.87 0.00 0.00 176.83 176.10 1jci h TYR 67 N 0.00 -1.04 0.00 4.77 3.20 -1.85 -3.03 116.97 119.01 1jci h TYR 67 Ca -0.00 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1jci h TYR 67 Cb 0.91 0.52 -0.00 0.00 1.54 0.00 0.00 36.73 39.69 1jci h TYR 67 CO 0.00 -0.41 -0.09 0.78 -1.64 0.00 0.00 178.16 176.80 1jci h GLY 68 N -0.26 0.00 -3.38 1.82 0.00 -1.74 -2.95 103.07 96.55 1jci h GLY 68 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.15 1jci h GLY 68 CO -0.58 0.00 -0.50 0.61 0.00 0.00 0.00 176.54 176.07 1jci n GLY 69 N 0.20 -0.36 0.00 4.60 0.00 -1.15 -2.39 105.19 106.09 1jci n GLY 69 Ca 0.01 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.03 1jci n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jci n THR 70 N -4.22 1.08 0.33 2.61 -2.24 -1.26 -3.01 114.28 107.57 1jci n THR 70 Ca -0.14 0.27 0.21 0.00 -2.27 0.00 0.00 64.05 62.12 1jci n THR 70 Cb 0.63 -1.10 1.12 0.00 -2.10 0.00 0.00 70.33 68.88 1jci n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1jci h TYR 71 N 0.00 0.00 0.00 4.78 5.03 -1.93 -1.08 116.97 123.77 1jci h TYR 71 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1jci h TYR 71 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1jci h TYR 71 CO 0.00 0.00 0.00 2.89 -1.32 0.00 0.00 178.16 179.73 1jci n ARG 72 N -3.15 0.04 -3.63 1.82 1.85 -1.16 -3.55 116.66 108.87 1jci n ARG 72 Ca -0.02 0.32 -0.36 0.00 -1.00 0.00 0.00 57.85 56.79 1jci n ARG 72 Cb 0.11 -1.58 -0.06 0.00 -1.05 0.00 0.00 32.46 29.88 1jci n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1jci s PHE 73 N -3.07 3.63 0.33 2.89 0.40 -0.41 -4.95 117.98 116.80 1jci s PHE 73 Ca 0.05 0.77 0.10 0.00 -0.60 0.00 0.00 56.93 57.25 1jci s PHE 73 Cb 0.08 -2.13 0.86 0.00 0.51 0.00 0.00 43.02 42.34 1jci s PHE 73 CO 0.25 0.60 1.77 1.57 0.70 0.00 0.00 175.22 180.11 1jci h LYS 74 N 4.22 0.62 -0.44 0.44 2.10 -1.87 -0.39 116.57 121.24 1jci h LYS 74 Ca -0.51 -0.04 0.05 0.00 -2.00 0.00 0.00 60.65 58.15 1jci h LYS 74 Cb 1.21 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 32.35 1jci h LYS 74 CO 0.64 0.41 0.19 -0.22 -2.00 0.00 0.00 179.45 178.46 1jci h LYS 75 N 0.64 0.37 0.17 0.07 3.64 -1.93 0.20 116.57 119.72 1jci h LYS 75 Ca 0.60 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.66 1jci h LYS 75 Cb 1.10 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1jci h LYS 75 CO -0.39 0.24 -1.32 1.49 -2.27 0.00 0.00 179.45 177.21 1jci h GLU 76 N 0.38 0.35 -0.38 1.90 4.81 -1.71 -3.07 114.58 116.86 1jci h GLU 76 Ca 0.20 -0.60 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1jci h GLU 76 Cb 0.15 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1jci h GLU 76 CO -0.17 1.29 0.13 0.35 -0.73 0.00 0.00 179.01 179.87 1jci h PHE 77 N 0.10 0.53 -0.56 0.92 3.04 -0.85 -2.24 116.94 117.88 1jci h PHE 77 Ca -0.17 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.76 1jci h PHE 77 Cb 2.03 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 40.38 1jci h PHE 77 CO 0.08 0.44 0.00 0.09 -2.02 0.00 0.00 178.31 176.90 1jci n ASN 78 N -4.37 3.00 -4.71 0.41 3.02 0.69 -4.85 115.26 108.46 1jci n ASN 78 Ca 0.02 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 1jci n ASN 78 Cb 0.16 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 1jci n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jci n ASP 79 N 1.14 4.05 -0.11 6.41 -0.08 -0.84 -4.83 116.55 122.28 1jci n ASP 79 Ca 0.19 1.03 0.17 0.00 -1.51 0.00 0.00 54.79 54.67 1jci n ASP 79 Cb 0.47 -1.57 0.57 0.00 2.34 0.00 0.00 41.12 42.93 1jci n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1jci h PRO 80 N 7.53 0.27 0.00 -0.67 0.11 -1.92 0.31 132.00 137.63 1jci h PRO 80 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1jci h PRO 80 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jci h PRO 80 CO 0.96 0.18 -0.04 0.77 -0.21 0.00 0.00 178.00 179.66 1jci h SER 81 N 0.28 0.00 -0.64 -2.05 0.02 -1.94 -2.45 113.55 106.77 1jci h SER 81 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1jci h SER 81 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1jci h SER 81 CO -0.08 0.04 0.00 0.59 -1.14 0.00 0.00 176.83 176.24 1jci n ASN 82 N -3.25 4.15 -4.68 3.07 3.02 0.11 -4.98 115.26 112.70 1jci n ASN 82 Ca -0.01 -2.25 -0.47 0.00 -0.03 0.00 0.00 54.58 51.82 1jci n ASN 82 Cb 0.21 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 1jci n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jci n ALA 83 N 1.22 1.18 0.00 5.41 0.00 -0.93 -1.36 120.51 126.04 1jci n ALA 83 Ca 0.24 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1jci n ALA 83 Cb 0.74 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1jci n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jci n GLY 84 N 4.19 2.84 0.15 0.00 0.00 -1.26 -4.78 105.19 106.32 1jci n GLY 84 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1jci n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jci h LEU 85 N 0.00 0.00 -2.33 0.99 3.38 -1.61 -2.52 115.31 113.22 1jci h LEU 85 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1jci h LEU 85 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jci h LEU 85 CO 0.00 0.00 0.11 1.56 0.09 0.00 0.00 178.44 180.20 1jci h GLN 86 N 0.00 0.00 -0.43 1.13 7.50 -1.92 0.09 115.11 121.48 1jci h GLN 86 Ca 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.02 1jci h GLN 86 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 1jci h GLN 86 CO 0.00 0.00 -0.23 -0.91 -1.50 0.00 0.00 178.83 176.19 1jci h ASN 87 N 0.00 0.91 -0.26 1.46 2.35 -1.85 -0.94 115.58 117.25 1jci h ASN 87 Ca 0.05 -0.34 -0.17 0.00 -0.55 0.00 0.00 56.30 55.28 1jci h ASN 87 Cb 0.26 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1jci h ASN 87 CO -0.00 1.10 -0.50 1.23 -1.65 0.00 0.00 177.43 177.61 1jci h GLY 88 N 0.92 0.92 1.21 2.83 0.00 -1.19 -2.29 103.07 105.46 1jci h GLY 88 Ca 0.10 -1.03 -0.08 0.00 0.00 0.00 0.00 47.33 46.33 1jci h GLY 88 CO 0.06 0.92 0.04 -2.75 0.00 0.00 0.00 176.54 174.82 1jci h PHE 89 N 0.66 1.02 -0.16 5.60 3.04 -1.24 -2.01 116.94 123.86 1jci h PHE 89 Ca 0.03 -0.15 -0.12 0.00 3.98 0.00 0.00 57.97 61.72 1jci h PHE 89 Cb 1.09 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 1jci h PHE 89 CO 0.06 0.89 -0.41 0.87 -2.02 0.00 0.00 178.31 177.71 1jci h LYS 90 N 0.89 0.35 -0.71 1.11 1.57 -1.12 -2.33 116.57 116.34 1jci h LYS 90 Ca 0.17 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1jci h LYS 90 Cb 0.46 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1jci h LYS 90 CO 0.02 0.70 0.18 0.35 -0.57 0.00 0.00 179.45 180.13 1jci h PHE 91 N 0.29 1.18 0.00 -1.35 3.04 -0.99 -2.80 116.94 116.31 1jci h PHE 91 Ca 0.03 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 61.84 1jci h PHE 91 Cb 0.84 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1jci h PHE 91 CO 0.02 0.95 0.00 1.28 -2.02 0.00 0.00 178.31 178.54 1jci n LEU 92 N -4.24 0.64 0.02 0.59 4.77 -0.79 -4.08 117.00 113.90 1jci n LEU 92 Ca 0.05 0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 56.50 1jci n LEU 92 Cb 0.25 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1jci n LEU 92 CO 0.42 -0.21 0.66 -0.33 -1.33 0.00 0.00 177.39 176.60 1jci h GLU 93 N 0.00 -0.38 0.00 3.23 5.08 -1.14 0.11 114.58 121.48 1jci h GLU 93 Ca 0.00 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1jci h GLU 93 Cb 0.63 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1jci h GLU 93 CO 0.00 -0.26 -0.14 -1.00 -1.00 0.00 0.00 179.01 176.62 1jci h PRO 94 N -0.40 0.00 -0.30 2.33 0.13 -1.76 -1.21 132.00 130.80 1jci h PRO 94 Ca 0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1jci h PRO 94 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1jci h PRO 94 CO -0.32 0.14 -0.19 0.82 -0.23 0.00 0.00 178.00 178.22 1jci h ILE 95 N 0.00 1.30 -0.16 -3.56 2.04 -1.51 -2.21 117.51 113.41 1jci h ILE 95 Ca -0.00 -1.32 -0.09 0.00 1.00 0.00 0.00 64.86 64.45 1jci h ILE 95 Cb 0.26 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1jci h ILE 95 CO 0.02 0.42 -0.28 -0.74 0.00 0.00 0.00 178.15 177.57 1jci h HIS 96 N 0.40 0.35 -0.48 1.37 2.76 -0.48 -1.41 115.15 117.66 1jci h HIS 96 Ca 0.06 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 1jci h HIS 96 Cb 0.74 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 1jci h HIS 96 CO 0.07 0.57 -0.07 -0.22 -1.30 0.00 0.00 177.93 176.98 1jci h LYS 97 N 0.27 0.85 -0.02 5.26 3.64 -1.08 -0.64 116.57 124.85 1jci h LYS 97 Ca 0.04 -0.27 -0.20 0.00 -1.27 0.00 0.00 60.65 58.96 1jci h LYS 97 Cb 0.65 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1jci h LYS 97 CO 0.05 0.89 -0.84 1.49 -2.27 0.00 0.00 179.45 178.77 1jci h GLU 98 N 0.77 0.28 -2.17 1.90 4.81 -1.04 -3.35 114.58 115.79 1jci h GLU 98 Ca 0.14 -0.28 -0.59 0.00 -0.13 0.00 0.00 59.36 58.49 1jci h GLU 98 Cb 0.56 0.07 -0.42 0.00 0.63 0.00 0.00 28.75 29.60 1jci h GLU 98 CO 0.03 0.97 -0.68 1.19 -0.73 0.00 0.00 179.01 179.79 1jci n PHE 99 N -3.73 3.09 0.26 0.92 3.01 -0.56 -4.92 117.46 115.53 1jci n PHE 99 Ca -0.04 -4.05 0.17 0.00 1.01 0.00 0.00 57.45 54.54 1jci n PHE 99 Cb 0.78 -0.52 0.91 0.00 -0.01 0.00 0.00 39.48 40.64 1jci n PHE 99 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jci h PRO 100 N 3.93 0.00 0.00 -1.08 0.13 -1.26 -2.76 132.00 130.96 1jci h PRO 100 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 1jci h PRO 100 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 1jci h PRO 100 CO 0.78 0.00 -0.12 0.11 -0.23 0.00 0.00 178.00 178.54 1jci h TRP 101 N 0.00 0.00 -3.69 1.56 5.08 -1.91 -3.45 115.95 113.54 1jci h TRP 101 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1jci h TRP 101 Cb 0.03 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.19 1jci h TRP 101 CO 0.00 0.12 0.42 -1.50 -1.28 0.00 0.00 178.44 176.20 1jci s ILE 102 N -3.46 3.91 0.77 0.12 2.07 -1.04 -4.93 121.20 118.63 1jci s ILE 102 Ca 0.03 1.80 -0.11 0.00 -1.41 0.00 0.00 60.65 60.96 1jci s ILE 102 Cb 0.08 -4.14 0.05 0.00 0.13 0.00 0.00 42.46 38.58 1jci s ILE 102 CO 0.63 0.38 1.09 -0.94 -1.91 0.00 0.00 174.94 174.19 1jci s SER 103 N -0.66 4.54 0.17 4.50 1.04 -1.26 -4.86 113.70 117.18 1jci s SER 103 Ca 0.45 1.83 -0.12 0.00 0.48 0.00 0.00 55.95 58.60 1jci s SER 103 Cb -0.28 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.39 1jci s SER 103 CO 0.35 -2.01 1.71 0.28 0.98 0.00 0.00 173.24 174.55 1jci h SER 104 N -1.05 0.85 -0.60 7.02 0.02 -1.90 -1.33 113.55 116.55 1jci h SER 104 Ca -0.44 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.30 1jci h SER 104 Cb 1.23 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1jci h SER 104 CO 0.51 0.82 0.29 1.23 -1.14 0.00 0.00 176.83 178.54 1jci h GLY 105 N 0.84 0.93 1.05 -3.77 0.00 -1.79 0.65 103.07 100.97 1jci h GLY 105 Ca 0.20 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1jci h GLY 105 CO -0.01 0.43 0.22 -0.55 0.00 0.00 0.00 176.54 176.64 1jci h ASP 106 N 0.82 1.04 -0.20 0.19 5.19 -1.77 -1.95 116.42 119.73 1jci h ASP 106 Ca 0.21 -0.21 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1jci h ASP 106 Cb 0.11 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 1jci h ASP 106 CO -0.03 0.97 -0.03 0.25 -3.12 0.00 0.00 179.24 177.28 1jci h LEU 107 N 1.05 0.38 -0.30 1.55 5.85 -0.82 0.85 115.31 123.86 1jci h LEU 107 Ca 0.23 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1jci h LEU 107 Cb 0.30 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1jci h LEU 107 CO -0.01 0.64 0.18 -0.26 -0.34 0.00 0.00 178.44 178.65 1jci h PHE 108 N 0.11 0.33 -0.35 1.25 0.05 -0.81 0.18 116.94 117.70 1jci h PHE 108 Ca 0.05 0.01 -0.11 0.00 3.82 0.00 0.00 57.97 61.74 1jci h PHE 108 Cb 0.46 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.30 1jci h PHE 108 CO 0.05 0.20 -0.21 0.66 -0.18 0.00 0.00 178.31 178.82 1jci h SER 109 N 0.36 0.80 0.04 2.17 4.64 -1.34 -2.89 113.55 117.33 1jci h SER 109 Ca 0.12 -0.42 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 1jci h SER 109 Cb -0.00 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1jci h SER 109 CO -0.05 1.05 -0.11 0.25 -0.87 0.00 0.00 176.83 177.10 1jci h LEU 110 N 0.56 0.16 -1.01 5.97 5.85 -0.64 -1.78 115.31 124.42 1jci h LEU 110 Ca 0.07 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1jci h LEU 110 Cb 0.77 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1jci h LEU 110 CO 0.06 0.30 0.34 1.23 -0.34 0.00 0.00 178.44 180.03 1jci h GLY 111 N 0.63 1.12 0.98 3.75 0.00 -0.75 0.57 103.07 109.36 1jci h GLY 111 Ca 0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 1jci h GLY 111 CO 0.02 0.52 -0.29 -1.33 0.00 0.00 0.00 176.54 175.46 1jci h GLY 112 N 1.09 0.78 0.90 4.60 0.00 -1.22 -2.18 103.07 107.05 1jci h GLY 112 Ca 0.25 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1jci h GLY 112 CO -0.03 0.72 0.08 -2.08 0.00 0.00 0.00 176.54 175.23 1jci h VAL 113 N 0.47 1.14 -0.62 4.60 2.07 -1.08 -2.21 116.25 120.63 1jci h VAL 113 Ca 0.05 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1jci h VAL 113 Cb 0.86 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1jci h VAL 113 CO 0.07 0.13 0.37 0.74 0.02 0.00 0.00 177.57 178.91 1jci h THR 114 N 0.16 1.06 -0.14 2.57 2.02 -0.90 -2.22 112.91 115.46 1jci h THR 114 Ca 0.06 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1jci h THR 114 Cb 0.14 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1jci h THR 114 CO -0.01 0.13 0.08 0.00 0.37 0.00 0.00 175.52 176.10 1jci h ALA 115 N 1.28 0.17 -0.02 6.16 0.00 -1.25 0.08 119.26 125.69 1jci h ALA 115 Ca 0.25 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1jci h ALA 115 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jci h ALA 115 CO -0.11 -0.32 -0.09 0.28 0.00 0.00 0.00 179.25 179.01 1jci h VAL 116 N 0.15 0.76 -0.63 0.00 2.07 -1.21 -0.95 116.25 116.45 1jci h VAL 116 Ca 0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1jci h VAL 116 Cb 0.03 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1jci h VAL 116 CO -0.01 0.00 0.24 1.56 0.02 0.00 0.00 177.57 179.38 1jci h GLN 117 N -0.15 0.95 0.00 1.57 4.20 -1.30 0.54 115.11 120.93 1jci h GLN 117 Ca 0.04 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1jci h GLN 117 Cb 0.20 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1jci h GLN 117 CO -0.11 0.81 -0.20 0.93 -0.67 0.00 0.00 178.83 179.60 1jci h GLU 118 N 0.89 0.00 -0.93 1.46 4.39 -0.81 -2.36 114.58 117.22 1jci h GLU 118 Ca 0.21 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.71 1jci h GLU 118 Cb 0.22 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.75 1jci h GLU 118 CO -0.02 0.20 0.26 -1.33 -1.16 0.00 0.00 179.01 176.96 1jci n MET 119 N -3.44 2.19 -1.60 2.33 2.81 -0.37 -4.86 117.12 114.18 1jci n MET 119 Ca -0.00 -1.73 -0.12 0.00 -1.81 0.00 0.00 57.70 54.03 1jci n MET 119 Cb 0.38 -1.75 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 1jci n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1jci n GLN 120 N -0.18 -0.89 -0.81 0.03 6.02 -0.89 -0.69 117.38 119.96 1jci n GLN 120 Ca 0.28 0.84 -0.08 0.00 -0.01 0.00 0.00 57.00 58.03 1jci n GLN 120 Cb 1.05 -4.90 0.05 0.00 1.02 0.00 0.00 30.24 27.46 1jci n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jci n GLY 121 N -1.35 -0.43 3.77 1.08 0.00 0.15 -4.72 105.19 103.68 1jci n GLY 121 Ca -0.13 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1jci n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jci s PRO 122 N -3.57 1.75 0.27 1.61 0.04 -1.26 -4.62 135.00 129.22 1jci s PRO 122 Ca 0.21 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 1jci s PRO 122 Cb -0.01 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1jci s PRO 122 CO 0.14 -1.87 1.08 0.15 0.04 0.00 0.00 177.00 176.54 1jci s LYS 123 N -5.06 4.67 -0.27 4.56 -0.14 -1.26 -4.29 119.74 117.94 1jci s LYS 123 Ca 0.62 1.76 0.03 0.00 -1.36 0.00 0.00 55.97 57.01 1jci s LYS 123 Cb -0.16 -3.20 0.07 0.00 -1.68 0.00 0.00 37.83 32.86 1jci s LYS 123 CO 0.55 0.26 -0.07 0.42 -0.76 0.00 0.00 175.35 175.75 1jci s ILE 124 N -1.16 2.08 0.42 2.17 -1.09 -1.26 -4.81 121.20 117.55 1jci s ILE 124 Ca 0.44 -1.71 -0.26 0.00 -2.23 0.00 0.00 60.65 56.88 1jci s ILE 124 Cb -0.31 -2.28 -0.10 0.00 -1.58 0.00 0.00 42.46 38.19 1jci s ILE 124 CO 0.40 -0.16 1.43 -2.65 -1.23 0.00 0.00 174.94 172.72 1jci n PRO 125 N 4.44 2.36 -4.16 2.79 -0.02 -1.26 -4.78 135.00 134.36 1jci n PRO 125 Ca -0.10 0.83 -0.16 0.00 -2.02 0.00 0.00 63.50 62.05 1jci n PRO 125 Cb 0.42 -2.60 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 1jci n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1jci s TRP 126 N -1.16 0.50 -0.00 6.00 -0.00 0.35 -4.79 118.94 119.83 1jci s TRP 126 Ca 0.58 -0.10 0.06 0.00 -0.00 0.00 0.00 56.10 56.65 1jci s TRP 126 Cb -0.47 -0.34 -0.03 0.00 -0.00 0.00 0.00 33.47 32.63 1jci s TRP 126 CO 0.60 -0.03 -0.18 1.03 -0.00 0.00 0.00 176.95 178.37 1jci s ARG 127 N 0.00 2.23 0.62 5.86 0.52 -1.26 0.25 118.95 127.17 1jci s ARG 127 Ca 0.00 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.37 1jci s ARG 127 Cb -0.04 -2.23 0.09 0.00 0.52 0.00 0.00 34.95 33.30 1jci s ARG 127 CO -0.00 0.57 0.86 0.00 0.02 0.00 0.00 175.30 176.75 1jci n GLY 129 N -2.50 1.15 3.77 0.00 0.00 -1.26 -4.74 105.19 101.61 1jci n GLY 129 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1jci n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jci s ARG 130 N -0.03 4.25 -0.07 1.61 0.52 -1.26 -0.71 118.95 123.27 1jci s ARG 130 Ca 0.00 2.15 0.05 0.00 -0.52 0.00 0.00 55.73 57.40 1jci s ARG 130 Cb 0.00 -2.97 -0.00 0.00 0.52 0.00 0.00 34.95 32.50 1jci s ARG 130 CO 0.00 -0.25 -0.22 0.08 0.02 0.00 0.00 175.30 174.93 1jci s VAL 131 N -1.19 1.89 0.30 3.52 1.01 -1.11 -4.62 120.40 120.19 1jci s VAL 131 Ca 0.51 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 1jci s VAL 131 Cb -0.38 -1.62 -0.11 0.00 0.00 0.00 0.00 36.38 34.26 1jci s VAL 131 CO 0.50 0.53 1.61 0.47 0.00 0.00 0.00 175.10 178.21 1jci n ASP 132 N 3.26 3.94 -4.51 3.32 8.00 -1.26 -3.93 116.55 125.38 1jci n ASP 132 Ca -0.19 1.15 -0.24 0.00 0.71 0.00 0.00 54.79 56.22 1jci n ASP 132 Cb 0.52 -1.61 -0.10 0.00 -0.02 0.00 0.00 41.12 39.92 1jci n ASP 132 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1jci s THR 133 N -0.03 2.72 0.79 -3.53 -4.23 -1.01 -5.00 115.64 105.37 1jci s THR 133 Ca 0.63 -2.19 -0.15 0.00 -1.18 0.00 0.00 61.69 58.81 1jci s THR 133 Cb -0.48 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 1jci s THR 133 CO 0.49 -0.33 0.58 -2.65 -0.54 0.00 0.00 174.62 172.17 1jci n PRO 134 N -0.49 0.15 0.23 3.99 -0.02 -1.26 -4.85 135.00 132.75 1jci n PRO 134 Ca -0.07 0.10 0.16 0.00 -2.02 0.00 0.00 63.50 61.67 1jci n PRO 134 Cb 0.59 -1.91 0.83 0.00 -0.02 0.00 0.00 33.50 32.99 1jci n PRO 134 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1jci h GLU 135 N -0.72 0.00 0.00 -0.52 4.81 -1.99 -0.77 114.58 115.39 1jci h GLU 135 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1jci h GLU 135 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1jci h GLU 135 CO 0.41 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.29 1jci n ASP 136 N -3.93 0.00 -0.90 1.04 3.85 -1.26 -2.35 116.55 113.00 1jci n ASP 136 Ca -0.00 -0.66 0.12 0.00 -0.71 0.00 0.00 54.79 53.54 1jci n ASP 136 Cb 0.23 -0.08 0.22 0.00 -1.35 0.00 0.00 41.12 40.14 1jci n ASP 136 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1jci n THR 137 N -1.08 0.14 -2.04 2.12 -2.24 -0.29 -4.93 114.28 105.95 1jci n THR 137 Ca 0.19 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 1jci n THR 137 Cb 0.13 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1jci n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1jci s THR 138 N -1.86 3.29 0.47 4.28 2.01 -0.99 -4.64 115.64 118.20 1jci s THR 138 Ca 0.33 0.72 -0.23 0.00 0.31 0.00 0.00 61.69 62.82 1jci s THR 138 Cb 0.21 -3.46 -0.07 0.00 0.01 0.00 0.00 72.50 69.18 1jci s THR 138 CO 0.31 -0.00 1.17 -2.16 -0.69 0.00 0.00 174.62 173.25 1jci s PRO 139 N 2.53 3.71 0.86 4.92 0.04 -1.26 -5.00 135.00 140.80 1jci s PRO 139 Ca 0.70 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 63.42 1jci s PRO 139 Cb -0.37 -2.38 0.11 0.00 0.04 0.00 0.00 34.50 31.90 1jci s PRO 139 CO 0.30 -0.60 1.10 -0.51 0.04 0.00 0.00 177.00 177.34 1jci s ASP 140 N -1.36 3.69 0.86 6.66 1.01 -1.26 -4.69 116.67 121.59 1jci s ASP 140 Ca 0.64 1.84 -0.11 0.00 0.71 0.00 0.00 52.55 55.63 1jci s ASP 140 Cb -0.29 -2.45 0.11 0.00 1.01 0.00 0.00 42.92 41.29 1jci s ASP 140 CO 0.35 -2.56 1.09 0.20 0.21 0.00 0.00 175.17 174.47 1jci s ASN 141 N -3.16 3.79 0.00 0.27 0.01 -1.26 -4.30 114.94 110.28 1jci s ASN 141 Ca 0.63 1.59 0.00 0.00 -0.71 0.00 0.00 52.86 54.37 1jci s ASN 141 Cb -0.19 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1jci s ASN 141 CO 0.57 -2.45 0.00 0.61 -1.51 0.00 0.00 177.10 174.32 1jci n GLY 142 N -1.15 0.74 0.01 0.66 0.00 -1.26 -4.97 105.19 99.22 1jci n GLY 142 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1jci n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jci n ARG 143 N -2.01 0.09 -3.28 1.61 1.74 -1.26 -4.90 116.66 108.65 1jci n ARG 143 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1jci n ARG 143 Cb 0.00 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 29.86 1jci n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jci s LEU 144 N -3.29 4.08 0.50 0.55 1.43 -1.26 -4.77 118.68 115.92 1jci s LEU 144 Ca 0.08 0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 53.94 1jci s LEU 144 Cb 0.16 -3.76 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 1jci s LEU 144 CO 0.76 -0.16 1.14 -2.16 0.23 0.00 0.00 176.35 176.15 1jci s PRO 145 N -3.14 3.57 0.37 1.29 0.04 -1.26 -5.06 135.00 130.81 1jci s PRO 145 Ca 0.48 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 1jci s PRO 145 Cb -0.11 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 1jci s PRO 145 CO 0.24 -0.69 0.75 -0.51 0.04 0.00 0.00 177.00 176.84 1jci s ASP 146 N -1.60 6.62 0.00 6.66 1.01 -1.26 -5.01 116.67 123.09 1jci s ASP 146 Ca 0.68 1.19 0.21 0.00 0.71 0.00 0.00 52.55 55.34 1jci s ASP 146 Cb -0.26 -2.34 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 1jci s ASP 146 CO 0.30 -0.32 0.97 0.00 0.21 0.00 0.00 175.17 176.33 1jci n ALA 147 N -0.93 3.99 -0.69 5.23 0.00 -1.26 -4.41 120.51 122.44 1jci n ALA 147 Ca 0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 1jci n ALA 147 Cb 0.54 -0.75 0.18 0.00 0.00 0.00 0.00 19.45 19.42 1jci n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jci n ASP 148 N -0.64 3.85 -4.87 0.00 5.75 -1.26 -2.60 116.55 116.78 1jci n ASP 148 Ca 0.07 -3.14 -0.28 0.00 -0.01 0.00 0.00 54.79 51.42 1jci n ASP 148 Cb 0.39 -0.74 -0.01 0.00 -1.03 0.00 0.00 41.12 39.73 1jci n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jci n LYS 149 N -0.50 0.68 -2.88 0.11 4.76 -1.26 -4.97 118.16 114.09 1jci n LYS 149 Ca 0.41 -3.58 -0.16 0.00 -2.87 0.00 0.00 58.31 52.11 1jci n LYS 149 Cb 1.33 0.52 0.01 0.00 -1.84 0.00 0.00 35.03 35.05 1jci n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1jci n ASP 150 N -1.71 2.00 -0.31 4.39 3.85 -1.26 -3.51 116.55 120.00 1jci n ASP 150 Ca -0.07 -2.20 0.04 0.00 -0.71 0.00 0.00 54.79 51.85 1jci n ASP 150 Cb 0.65 -0.08 0.19 0.00 -1.35 0.00 0.00 41.12 40.52 1jci n ASP 150 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jci h ALA 151 N 0.60 1.26 -0.71 2.12 0.00 -1.90 -1.90 119.26 118.74 1jci h ALA 151 Ca -0.22 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1jci h ALA 151 Cb 0.84 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1jci h ALA 151 CO 0.34 0.12 0.47 -0.44 0.00 0.00 0.00 179.25 179.74 1jci h ASP 152 N 0.83 0.81 -0.33 0.00 3.32 -1.96 0.09 116.42 119.19 1jci h ASP 152 Ca 0.42 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 1jci h ASP 152 Cb 0.40 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1jci h ASP 152 CO -0.26 0.59 0.16 0.22 -1.72 0.00 0.00 179.24 178.23 1jci h TYR 153 N 0.96 0.49 -0.10 4.55 3.20 -1.78 -1.50 116.97 122.79 1jci h TYR 153 Ca 0.26 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1jci h TYR 153 Cb -0.11 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 1jci h TYR 153 CO -0.02 0.43 0.06 0.28 -1.64 0.00 0.00 178.16 177.27 1jci h VAL 154 N 0.40 1.03 -0.18 1.81 2.07 -0.96 0.23 116.25 120.66 1jci h VAL 154 Ca 0.11 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1jci h VAL 154 Cb 0.13 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1jci h VAL 154 CO -0.01 0.03 0.04 -0.09 0.02 0.00 0.00 177.57 177.56 1jci h ARG 155 N 0.12 0.11 -0.48 1.57 2.43 -0.89 -1.56 114.38 115.68 1jci h ARG 155 Ca 0.03 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1jci h ARG 155 Cb -0.00 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1jci h ARG 155 CO -0.01 0.07 0.11 1.15 -1.51 0.00 0.00 179.97 179.79 1jci h THR 156 N 0.11 1.24 -0.12 0.20 2.02 -1.13 -2.95 112.91 112.29 1jci h THR 156 Ca 0.08 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.45 1jci h THR 156 Cb 0.07 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1jci h THR 156 CO -0.10 0.30 -0.10 0.15 0.37 0.00 0.00 175.52 176.14 1jci h PHE 157 N 0.65 -0.26 0.00 3.16 3.57 -0.24 -2.34 116.94 121.49 1jci h PHE 157 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1jci h PHE 157 Cb 0.34 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1jci h PHE 157 CO 0.02 -0.16 0.00 1.19 -2.23 0.00 0.00 178.31 177.13 1jci n PHE 158 N -5.25 0.41 0.21 0.41 3.01 -0.62 -2.30 117.46 113.34 1jci n PHE 158 Ca -0.03 0.17 0.06 0.00 1.01 0.00 0.00 57.45 58.65 1jci n PHE 158 Cb 0.17 -0.77 0.45 0.00 -0.01 0.00 0.00 39.48 39.33 1jci n PHE 158 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1jci h GLN 159 N 0.00 0.00 0.00 -1.08 4.20 -1.24 -1.48 115.11 115.51 1jci h GLN 159 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1jci h GLN 159 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1jci h GLN 159 CO 0.00 0.30 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.22 1jci h ARG 160 N 0.00 0.00 -0.70 1.46 2.43 -1.56 -1.23 114.38 114.78 1jci h ARG 160 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jci h ARG 160 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1jci h ARG 160 CO 0.04 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 179.93 1jci n LEU 161 N -3.46 4.57 -3.76 3.80 4.77 -0.64 -2.00 117.00 120.28 1jci n LEU 161 Ca -0.01 -2.30 -0.26 0.00 -0.03 0.00 0.00 56.01 53.41 1jci n LEU 161 Cb 0.32 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1jci n LEU 161 CO 0.31 0.88 0.12 -3.20 -1.33 0.00 0.00 177.39 174.17 1jci n ASN 162 N 1.35 -4.44 -4.47 -1.43 5.15 -0.47 -4.99 115.26 105.96 1jci n ASN 162 Ca 0.26 -0.71 -0.33 0.00 -0.60 0.00 0.00 54.58 53.20 1jci n ASN 162 Cb 0.82 -4.31 -0.13 0.00 -0.53 0.00 0.00 39.78 35.62 1jci n ASN 162 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1jci s MET 163 N -6.34 3.07 0.45 1.20 -1.94 -0.70 -5.02 119.30 110.02 1jci s MET 163 Ca 0.49 -0.63 0.01 0.00 -1.71 0.00 0.00 55.69 53.85 1jci s MET 163 Cb -0.23 -2.61 0.09 0.00 2.01 0.00 0.00 34.83 34.08 1jci s MET 163 CO 0.79 0.42 0.62 0.27 -0.01 0.00 0.00 175.02 177.12 1jci n ASN 164 N 2.93 0.97 -0.10 3.03 0.23 -1.26 -4.20 115.26 116.86 1jci n ASN 164 Ca -0.18 -1.79 -0.06 0.00 -0.53 0.00 0.00 54.58 52.03 1jci n ASN 164 Cb 0.53 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 1jci n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1jci h ASP 165 N -0.29 -0.43 -0.77 0.53 5.19 -1.99 -0.50 116.42 118.15 1jci h ASP 165 Ca -0.21 0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 1jci h ASP 165 Cb 0.79 0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.52 1jci h ASP 165 CO 0.23 -0.16 0.34 -0.09 -3.12 0.00 0.00 179.24 176.45 1jci h ARG 166 N -0.05 1.13 -0.72 3.56 2.43 -1.96 -1.40 114.38 117.37 1jci h ARG 166 Ca 0.17 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1jci h ARG 166 Cb 0.31 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1jci h ARG 166 CO -0.38 0.90 0.22 0.93 -1.51 0.00 0.00 179.97 180.12 1jci h GLU 167 N 1.10 1.12 -0.06 0.20 5.08 -1.81 -1.51 114.58 118.70 1jci h GLU 167 Ca 0.26 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1jci h GLU 167 Cb 0.16 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jci h GLU 167 CO -0.03 0.96 0.01 0.28 -1.00 0.00 0.00 179.01 179.24 1jci h VAL 168 N 1.06 1.18 -0.60 3.13 2.07 -0.76 -0.84 116.25 121.50 1jci h VAL 168 Ca 0.23 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1jci h VAL 168 Cb 0.31 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1jci h VAL 168 CO -0.01 0.15 0.23 0.58 0.02 0.00 0.00 177.57 178.55 1jci h VAL 169 N -0.12 1.22 -0.17 2.57 2.07 -1.18 -1.28 116.25 119.36 1jci h VAL 169 Ca 0.02 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1jci h VAL 169 Cb 0.23 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1jci h VAL 169 CO 0.00 0.27 -0.11 0.00 0.02 0.00 0.00 177.57 177.75 1jci h ALA 170 N 1.39 0.24 -0.79 1.67 0.00 -1.19 -3.11 119.26 117.47 1jci h ALA 170 Ca 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1jci h ALA 170 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1jci h ALA 170 CO -0.02 0.08 0.44 -0.07 0.00 0.00 0.00 179.25 179.68 1jci h LEU 171 N 0.03 0.96 -2.31 0.00 3.38 -0.91 -1.48 115.31 114.98 1jci h LEU 171 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jci h LEU 171 Cb 0.61 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jci h LEU 171 CO 0.03 0.76 0.00 -0.03 0.09 0.00 0.00 178.44 179.29 1jci h MET 172 N 1.09 0.00 0.00 1.13 4.05 -1.22 -1.74 114.93 118.24 1jci h MET 172 Ca 0.28 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1jci h MET 172 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1jci h MET 172 CO -0.05 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.50 1jci n GLY 173 N -0.60 -0.70 0.13 1.39 0.00 -0.56 -1.36 105.19 103.48 1jci n GLY 173 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1jci n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jci n ALA 174 N -1.46 1.50 1.29 4.61 0.00 -0.65 -1.56 120.51 124.23 1jci n ALA 174 Ca 0.02 0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.62 1jci n ALA 174 Cb 0.08 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.44 1jci n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jci n HIS 175 N -2.22 0.00 0.58 0.00 8.25 -0.47 -1.00 115.22 120.36 1jci n HIS 175 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 1jci n HIS 175 Cb 0.18 0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.74 1jci n HIS 175 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1jci n THR 176 N -0.72 0.65 -4.00 1.59 5.66 -0.60 -4.47 114.28 112.39 1jci n THR 176 Ca 0.07 0.02 -0.33 0.00 -3.05 0.00 0.00 64.05 60.76 1jci n THR 176 Cb 0.03 -0.84 -0.06 0.00 -1.55 0.00 0.00 70.33 67.91 1jci n THR 176 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1jci s LEU 177 N -4.10 4.13 0.00 1.09 1.43 -0.17 -4.41 118.68 116.65 1jci s LEU 177 Ca 0.08 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1jci s LEU 177 Cb 0.12 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1jci s LEU 177 CO 0.47 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.92 1jci n GLY 178 N 1.02 1.31 3.81 -3.19 0.00 -0.15 -4.89 105.19 103.10 1jci n GLY 178 Ca -0.12 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 1jci n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jci s LYS 179 N 0.00 1.53 0.15 1.61 -2.85 -1.26 -4.08 119.74 114.84 1jci s LYS 179 Ca 0.00 -0.86 -0.11 0.00 -1.00 0.00 0.00 55.97 54.00 1jci s LYS 179 Cb 0.00 0.51 -0.07 0.00 -2.06 0.00 0.00 37.83 36.21 1jci s LYS 179 CO 0.00 -0.70 0.49 0.95 0.10 0.00 0.00 175.35 176.19 1jci s THR 180 N -3.48 4.98 -0.16 3.79 -4.23 -0.07 -4.95 115.64 111.51 1jci s THR 180 Ca 0.12 0.53 0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1jci s THR 180 Cb -0.04 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1jci s THR 180 CO 0.05 0.14 -0.15 -1.00 -0.54 0.00 0.00 174.62 173.11 1jci s HIS 181 N -1.58 2.37 0.25 3.99 0.09 -1.01 -2.29 115.29 117.12 1jci s HIS 181 Ca 0.40 -1.39 -0.08 0.00 -0.00 0.00 0.00 55.06 53.99 1jci s HIS 181 Cb -0.13 -1.69 0.42 0.00 -0.00 0.00 0.00 32.58 31.17 1jci s HIS 181 CO 0.20 -0.72 1.61 1.25 -0.00 0.00 0.00 174.74 177.08 1jci h LEU 182 N 8.01 -0.53 -2.13 0.89 5.85 -0.99 0.12 115.31 126.52 1jci h LEU 182 Ca -0.39 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1jci h LEU 182 Cb 1.13 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 1jci h LEU 182 CO 0.55 -0.23 -0.05 0.11 -0.34 0.00 0.00 178.44 178.48 1jci h LYS 183 N 0.05 0.00 0.03 1.25 1.57 -1.96 -0.06 116.57 117.45 1jci h LYS 183 Ca 0.42 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.96 1jci h LYS 183 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1jci h LYS 183 CO -0.76 0.05 -1.25 -0.91 -0.57 0.00 0.00 179.45 176.02 1jci h ASN 184 N 0.00 0.09 0.00 0.86 2.35 -1.11 -3.44 115.58 114.33 1jci h ASN 184 Ca -0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 1jci h ASN 184 Cb 0.27 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1jci h ASN 184 CO 0.01 1.51 0.00 -1.54 -1.65 0.00 0.00 177.43 175.75 1jci n SER 185 N -4.28 0.19 0.00 5.81 3.41 -0.85 -4.66 113.62 113.24 1jci n SER 185 Ca -0.29 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1jci n SER 185 Cb 0.73 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 1jci n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jci n GLY 186 N 0.57 0.65 3.08 5.00 0.00 -0.04 -5.03 105.19 109.41 1jci n GLY 186 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1jci n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jci s TYR 187 N -2.00 0.83 -0.02 1.61 2.02 -1.26 -4.66 117.35 113.87 1jci s TYR 187 Ca 0.00 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 1jci s TYR 187 Cb 0.00 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.09 1jci s TYR 187 CO 0.00 -0.03 0.00 -2.00 -1.57 0.00 0.00 175.55 171.95 1jci s GLU 188 N -1.28 0.21 0.00 -0.62 2.56 -1.26 -0.26 118.70 118.04 1jci s GLU 188 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.98 1jci s GLU 188 Cb -0.08 -0.36 0.00 0.00 2.00 0.00 0.00 34.13 35.68 1jci s GLU 188 CO 0.01 -0.10 0.00 0.41 -0.56 0.00 0.00 175.26 175.02 1jci n GLY 189 N 3.88 3.76 3.91 -1.50 0.00 -0.97 -4.90 105.19 109.37 1jci n GLY 189 Ca -0.24 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 1jci n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jci s PRO 190 N -3.66 3.60 0.13 1.61 0.04 -1.26 -0.89 135.00 134.58 1jci s PRO 190 Ca 0.00 0.11 0.18 0.00 0.04 0.00 0.00 61.00 61.33 1jci s PRO 190 Cb 0.00 -2.50 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 1jci s PRO 190 CO 0.00 -0.00 0.98 -1.49 0.04 0.00 0.00 177.00 176.53 1jci h TRP 191 N 0.91 0.00 -4.47 0.56 6.55 -1.74 -0.45 115.95 117.31 1jci h TRP 191 Ca -0.48 0.00 -0.27 0.00 0.95 0.00 0.00 58.89 59.09 1jci h TRP 191 Cb 1.20 0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 29.35 1jci h TRP 191 CO 0.57 0.42 -0.61 0.95 -1.05 0.00 0.00 178.44 178.72 1jci s THR 192 N -3.04 0.09 -0.73 1.49 -4.23 -1.26 -4.61 115.64 103.35 1jci s THR 192 Ca -0.01 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.76 1jci s THR 192 Cb 0.09 -2.52 0.21 0.00 1.34 0.00 0.00 72.50 71.62 1jci s THR 192 CO 0.79 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 176.53 1jci n ALA 193 N -0.33 2.49 -3.35 3.99 0.00 -1.26 -4.28 120.51 117.77 1jci n ALA 193 Ca 0.02 -0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 1jci n ALA 193 Cb 0.66 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 1jci n ALA 193 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jci n ASN 194 N -2.15 2.06 0.21 0.00 6.94 -1.26 -4.98 115.26 116.08 1jci n ASN 194 Ca 0.05 -3.07 0.17 0.00 -0.02 0.00 0.00 54.58 51.71 1jci n ASN 194 Cb 0.42 -0.66 0.75 0.00 -2.36 0.00 0.00 39.78 37.94 1jci n ASN 194 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1jci h PRO 195 N 4.24 0.00 -0.30 -0.53 0.11 -1.77 -1.85 132.00 131.90 1jci h PRO 195 Ca 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 1jci h PRO 195 Cb 0.77 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 1jci h PRO 195 CO 0.66 0.00 0.01 0.27 -0.21 0.00 0.00 178.00 178.72 1jci n ASN 196 N -3.25 3.85 -4.11 -2.05 0.23 -1.26 -0.97 115.26 107.69 1jci n ASN 196 Ca 0.03 -3.10 -0.32 0.00 -0.53 0.00 0.00 54.58 50.65 1jci n ASN 196 Cb 0.54 -0.57 -0.16 0.00 -2.08 0.00 0.00 39.78 37.50 1jci n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1jci s VAL 197 N -2.88 1.98 -0.54 3.53 1.01 -0.70 -4.71 120.40 118.08 1jci s VAL 197 Ca 0.44 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 61.26 1jci s VAL 197 Cb 0.36 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.99 1jci s VAL 197 CO 0.08 0.53 1.00 0.12 0.00 0.00 0.00 175.10 176.84 1jci s PHE 198 N 1.21 2.77 0.12 5.22 5.36 0.13 -4.74 117.98 128.05 1jci s PHE 198 Ca 0.02 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1jci s PHE 198 Cb -0.14 -4.17 -0.00 0.00 -0.34 0.00 0.00 43.02 38.37 1jci s PHE 198 CO -0.10 -1.37 0.15 -0.40 -1.46 0.00 0.00 175.22 172.04 1jci n ASP 199 N 7.66 -0.41 -1.54 6.13 5.68 -1.26 -4.30 116.55 128.51 1jci n ASP 199 Ca 0.04 -1.69 -0.02 0.00 -0.50 0.00 0.00 54.79 52.62 1jci n ASP 199 Cb 0.48 0.81 0.22 0.00 -1.14 0.00 0.00 41.12 41.48 1jci n ASP 199 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1jci n ASN 200 N -2.13 3.91 0.13 -1.12 2.04 -1.26 -4.46 115.26 112.37 1jci n ASN 200 Ca 0.01 -2.75 0.08 0.00 -0.44 0.00 0.00 54.58 51.48 1jci n ASN 200 Cb 0.21 -0.65 0.56 0.00 -2.53 0.00 0.00 39.78 37.37 1jci n ASN 200 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1jci h SER 201 N 1.98 0.18 -0.47 0.53 0.02 -1.94 -2.44 113.55 111.41 1jci h SER 201 Ca 0.13 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1jci h SER 201 Cb 1.72 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 64.16 1jci h SER 201 CO 0.45 0.13 0.14 0.15 -1.14 0.00 0.00 176.83 176.56 1jci h PHE 202 N 0.21 0.24 -0.26 3.45 3.57 -1.88 0.33 116.94 122.59 1jci h PHE 202 Ca 0.09 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1jci h PHE 202 Cb 0.10 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1jci h PHE 202 CO -0.00 0.06 -0.29 1.88 -2.23 0.00 0.00 178.31 177.73 1jci h TYR 203 N 0.29 0.79 -0.84 0.41 -1.99 -1.80 -2.26 116.97 111.57 1jci h TYR 203 Ca 0.23 -0.25 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 1jci h TYR 203 Cb 0.26 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 38.79 1jci h TYR 203 CO -0.18 0.98 0.41 -0.07 -0.00 0.00 0.00 178.16 179.30 1jci h LEU 204 N 0.38 1.09 -0.39 3.88 3.38 -1.27 -2.19 115.31 120.19 1jci h LEU 204 Ca 0.04 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1jci h LEU 204 Cb 0.86 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1jci h LEU 204 CO 0.07 0.91 -0.10 0.78 0.09 0.00 0.00 178.44 180.19 1jci h ASN 205 N 1.19 0.77 -0.86 -0.43 2.35 -0.92 0.15 115.58 117.84 1jci h ASN 205 Ca 0.29 -0.37 0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1jci h ASN 205 Cb 0.10 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.19 1jci h ASN 205 CO -0.04 0.96 0.51 0.25 -1.65 0.00 0.00 177.43 177.46 1jci h LEU 206 N 0.58 0.77 0.13 1.61 5.85 -1.12 -1.12 115.31 122.01 1jci h LEU 206 Ca 0.10 0.03 -0.30 0.00 0.84 0.00 0.00 57.88 58.55 1jci h LEU 206 Cb 0.63 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1jci h LEU 206 CO 0.04 0.46 -1.47 -0.07 -0.34 0.00 0.00 178.44 177.06 1jci h LEU 207 N 0.89 0.44 0.00 2.25 3.38 -1.21 -3.40 115.31 117.66 1jci h LEU 207 Ca 0.40 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1jci h LEU 207 Cb 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1jci h LEU 207 CO -0.22 1.46 -1.82 0.59 0.09 0.00 0.00 178.44 178.54 1jci n ASN 208 N -3.49 0.29 -4.84 -0.43 5.03 0.50 -4.98 115.26 107.34 1jci n ASN 208 Ca -0.15 0.12 -0.32 0.00 0.87 0.00 0.00 54.58 55.11 1jci n ASN 208 Cb 1.04 1.20 -0.00 0.00 -1.02 0.00 0.00 39.78 41.00 1jci n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1jci s GLU 209 N -3.16 3.59 -0.48 3.52 0.41 -0.43 -5.01 118.70 117.14 1jci s GLU 209 Ca -0.06 0.96 -0.19 0.00 -0.41 0.00 0.00 54.97 55.27 1jci s GLU 209 Cb 0.11 -2.08 0.05 0.00 -1.78 0.00 0.00 34.13 30.42 1jci s GLU 209 CO 0.86 -0.57 0.59 -0.51 -0.49 0.00 0.00 175.26 175.13 1jci s ASP 210 N -3.38 6.23 0.03 -0.19 -0.00 -1.26 -4.97 116.67 113.13 1jci s ASP 210 Ca 0.59 -0.80 -0.14 0.00 -0.00 0.00 0.00 52.55 52.20 1jci s ASP 210 Cb -0.12 -2.28 -0.06 0.00 -0.00 0.00 0.00 42.92 40.46 1jci s ASP 210 CO 0.41 -0.82 0.42 0.26 -0.00 0.00 0.00 175.17 175.44 1jci s TRP 211 N 2.54 3.69 -0.08 4.23 0.52 -1.26 -4.33 118.94 124.24 1jci s TRP 211 Ca 0.15 0.95 0.03 0.00 0.02 0.00 0.00 56.10 57.25 1jci s TRP 211 Cb -0.18 -2.26 0.01 0.00 -1.15 0.00 0.00 33.47 29.88 1jci s TRP 211 CO 0.13 0.60 -0.18 0.15 0.02 0.00 0.00 176.95 177.68 1jci s LYS 212 N -1.33 2.33 -0.53 4.98 1.02 0.03 -4.91 119.74 121.33 1jci s LYS 212 Ca 0.27 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.35 1jci s LYS 212 Cb -0.16 -1.84 0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1jci s LYS 212 CO 0.15 0.08 1.15 -1.17 -0.92 0.00 0.00 175.35 174.64 1jci s LEU 213 N 0.56 3.57 0.38 3.17 2.96 -1.26 -0.69 118.68 127.36 1jci s LEU 213 Ca -0.16 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1jci s LEU 213 Cb -0.17 -3.34 -0.06 0.00 0.50 0.00 0.00 46.19 43.12 1jci s LEU 213 CO 0.05 -1.36 0.04 -1.61 -1.32 0.00 0.00 176.35 172.16 1jci s GLU 214 N 4.66 1.82 -0.15 1.98 2.02 -0.41 -4.95 118.70 123.68 1jci s GLU 214 Ca 0.45 -2.04 -0.04 0.00 0.02 0.00 0.00 54.97 53.36 1jci s GLU 214 Cb -0.07 -1.19 -0.03 0.00 0.10 0.00 0.00 34.13 32.94 1jci s GLU 214 CO 0.28 -0.17 -0.03 0.15 0.02 0.00 0.00 175.26 175.52 1jci s LYS 215 N -3.81 3.68 0.39 1.61 1.02 -1.26 -0.85 119.74 120.52 1jci s LYS 215 Ca 0.33 -0.50 -0.05 0.00 0.02 0.00 0.00 55.97 55.77 1jci s LYS 215 Cb 0.08 -2.94 0.09 0.00 -0.52 0.00 0.00 37.83 34.54 1jci s LYS 215 CO 0.16 0.27 0.53 0.27 -0.92 0.00 0.00 175.35 175.65 1jci n ASN 216 N 3.47 0.21 0.00 2.83 0.23 0.08 -4.89 115.26 117.19 1jci n ASN 216 Ca -0.17 -1.29 0.06 0.00 -0.53 0.00 0.00 54.58 52.65 1jci n ASN 216 Cb 0.52 -0.39 0.31 0.00 -2.08 0.00 0.00 39.78 38.14 1jci n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jci n ASP 217 N -3.25 0.00 -1.29 0.53 10.43 -1.26 -1.66 116.55 120.05 1jci n ASP 217 Ca 0.07 0.30 0.11 0.00 2.57 0.00 0.00 54.79 57.85 1jci n ASP 217 Cb 0.25 -0.40 0.31 0.00 1.84 0.00 0.00 41.12 43.12 1jci n ASP 217 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jci n ALA 218 N -1.40 2.36 -1.93 2.24 0.00 -1.26 -4.93 120.51 115.59 1jci n ALA 218 Ca 0.05 -1.28 -0.12 0.00 0.00 0.00 0.00 53.44 52.08 1jci n ALA 218 Cb 0.13 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1jci n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jci n ASN 219 N 1.56 -4.11 -4.61 0.00 4.05 -0.66 -5.02 115.26 106.46 1jci n ASN 219 Ca 0.23 0.10 -0.31 0.00 0.45 0.00 0.00 54.58 55.05 1jci n ASN 219 Cb 0.61 -3.10 -0.10 0.00 1.23 0.00 0.00 39.78 38.42 1jci n ASN 219 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1jci s ASN 220 N -2.59 4.65 0.16 1.20 0.01 -1.26 -4.87 114.94 112.25 1jci s ASN 220 Ca 0.00 -0.20 -0.26 0.00 -0.71 0.00 0.00 52.86 51.68 1jci s ASN 220 Cb 0.00 -1.05 -0.08 0.00 0.41 0.00 0.00 41.25 40.53 1jci s ASN 220 CO 0.00 0.24 0.81 -1.61 -1.51 0.00 0.00 177.10 175.03 1jci s GLU 221 N -1.76 4.62 0.06 -0.60 2.02 -1.26 -0.74 118.70 121.04 1jci s GLU 221 Ca 0.20 1.22 -0.18 0.00 0.02 0.00 0.00 54.97 56.22 1jci s GLU 221 Cb -0.11 -3.28 0.04 0.00 0.10 0.00 0.00 34.13 30.87 1jci s GLU 221 CO 0.11 0.51 0.43 1.14 0.02 0.00 0.00 175.26 177.47 1jci s GLN 222 N -0.97 0.96 -0.13 1.61 -2.07 -0.03 -4.61 119.66 114.42 1jci s GLN 222 Ca 0.38 -0.39 -0.19 0.00 -1.82 0.00 0.00 55.36 53.34 1jci s GLN 222 Cb -0.23 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 1jci s GLN 222 CO 0.27 -0.34 0.52 -1.58 -1.32 0.00 0.00 175.29 172.85 1jci s TRP 223 N -2.65 3.48 0.10 9.60 0.52 -0.28 -1.28 118.94 128.44 1jci s TRP 223 Ca -0.04 0.91 0.10 0.00 0.02 0.00 0.00 56.10 57.10 1jci s TRP 223 Cb -0.00 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 1jci s TRP 223 CO -0.04 0.08 -0.26 -0.51 0.02 0.00 0.00 176.95 176.24 1jci s ASP 224 N 0.79 3.31 0.15 2.95 1.01 0.14 -0.65 116.67 124.36 1jci s ASP 224 Ca 0.27 -0.69 0.11 0.00 0.71 0.00 0.00 52.55 52.95 1jci s ASP 224 Cb -0.16 -0.26 -0.04 0.00 1.01 0.00 0.00 42.92 43.47 1jci s ASP 224 CO 0.11 0.20 -0.24 -0.94 0.21 0.00 0.00 175.17 174.51 1jci s SER 225 N -1.82 3.46 0.31 0.27 1.04 -0.67 -0.79 113.70 115.50 1jci s SER 225 Ca 0.14 -0.75 0.22 0.00 0.48 0.00 0.00 55.95 56.04 1jci s SER 225 Cb -0.10 -0.29 1.14 0.00 0.10 0.00 0.00 66.02 66.87 1jci s SER 225 CO 0.05 0.16 1.68 0.29 0.98 0.00 0.00 173.24 176.41 1jci n LYS 226 N 0.69 0.16 0.00 4.02 5.02 -1.26 -1.04 118.16 125.74 1jci n LYS 226 Ca -0.16 0.59 0.12 0.00 -2.02 0.00 0.00 58.31 56.84 1jci n LYS 226 Cb 0.54 -1.95 0.56 0.00 -0.02 0.00 0.00 35.03 34.16 1jci n LYS 226 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jci n SER 227 N -2.27 0.00 0.00 4.39 7.64 -1.26 -4.88 113.62 117.24 1jci n SER 227 Ca -0.01 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1jci n SER 227 Cb 0.09 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1jci n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jci n GLY 228 N 1.06 0.85 3.88 0.23 0.00 -0.21 -5.06 105.19 105.94 1jci n GLY 228 Ca 0.07 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1jci n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jci s TYR 229 N -2.00 2.86 0.10 1.61 4.12 -1.24 -4.47 117.35 118.34 1jci s TYR 229 Ca 0.00 -0.35 -0.06 0.00 0.02 0.00 0.00 57.07 56.68 1jci s TYR 229 Cb 0.00 -1.96 -0.02 0.00 -1.52 0.00 0.00 41.96 38.46 1jci s TYR 229 CO 0.00 0.04 0.14 0.00 0.02 0.00 0.00 175.55 175.75 1jci s MET 230 N -4.08 0.88 -0.04 -0.62 0.23 -0.18 -1.67 119.30 113.82 1jci s MET 230 Ca 0.44 -1.13 -0.03 0.00 -1.03 0.00 0.00 55.69 53.95 1jci s MET 230 Cb -0.06 0.31 0.02 0.00 -1.53 0.00 0.00 34.83 33.57 1jci s MET 230 CO 0.28 -0.27 0.10 -1.64 -2.03 0.00 0.00 175.02 171.46 1jci s MET 231 N -3.92 0.08 0.71 3.16 -1.94 0.18 -4.23 119.30 113.34 1jci s MET 231 Ca 0.11 0.20 -0.11 0.00 -1.71 0.00 0.00 55.69 54.18 1jci s MET 231 Cb 0.06 -0.05 0.02 0.00 2.01 0.00 0.00 34.83 36.86 1jci s MET 231 CO -0.07 -0.08 1.07 -0.51 -0.01 0.00 0.00 175.02 175.43 1jci s LEU 232 N 0.49 3.10 0.45 -0.03 1.43 -1.26 -1.13 118.68 121.73 1jci s LEU 232 Ca -0.04 1.66 0.13 0.00 -1.03 0.00 0.00 54.13 54.85 1jci s LEU 232 Cb -0.05 -4.49 1.04 0.00 0.03 0.00 0.00 46.19 42.71 1jci s LEU 232 CO -0.02 -1.58 2.04 -0.65 0.23 0.00 0.00 176.35 176.37 1jci h PRO 233 N -0.81 0.35 -0.02 1.29 0.11 -1.79 -0.48 132.00 130.65 1jci h PRO 233 Ca -0.44 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1jci h PRO 233 Cb 1.22 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1jci h PRO 233 CO 0.56 0.23 -0.51 1.79 -0.21 0.00 0.00 178.00 179.86 1jci h THR 234 N 0.36 1.37 -0.12 -1.15 1.35 -1.54 -1.57 112.91 111.61 1jci h THR 234 Ca 0.19 -1.77 -0.09 0.00 -0.55 0.00 0.00 66.41 64.19 1jci h THR 234 Cb 0.28 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1jci h THR 234 CO -0.04 0.51 -0.28 0.44 -0.25 0.00 0.00 175.52 175.90 1jci h ASP 235 N 0.04 0.45 0.37 5.36 3.32 -1.46 -3.14 116.42 121.36 1jci h ASP 235 Ca -0.00 -0.57 -0.03 0.00 0.02 0.00 0.00 57.03 56.45 1jci h ASP 235 Cb 0.92 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1jci h ASP 235 CO 0.07 0.94 -0.12 0.22 -1.72 0.00 0.00 179.24 178.63 1jci h TYR 236 N -0.02 0.00 0.00 4.55 5.03 -1.12 -1.80 116.97 123.61 1jci h TYR 236 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1jci h TYR 236 Cb 0.88 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.16 1jci h TYR 236 CO 0.11 0.12 0.00 0.66 -1.32 0.00 0.00 178.16 177.73 1jci h SER 237 N 0.00 0.00 0.73 -2.11 4.64 -1.23 -1.86 113.55 113.72 1jci h SER 237 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jci h SER 237 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jci h SER 237 CO 0.02 0.00 -0.02 -0.07 -0.87 0.00 0.00 176.83 175.89 1jci h LEU 238 N 0.00 0.00 -0.90 5.97 3.38 -1.44 -1.78 115.31 120.54 1jci h LEU 238 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jci h LEU 238 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jci h LEU 238 CO 0.00 0.02 -0.23 2.30 0.09 0.00 0.00 178.44 180.62 1jci n ILE 239 N -3.14 0.00 0.01 1.22 -5.35 -0.71 -1.40 119.36 109.98 1jci n ILE 239 Ca -0.00 -0.38 -0.13 0.00 -0.27 0.00 0.00 62.75 61.96 1jci n ILE 239 Cb 0.25 1.17 -0.14 0.00 -1.74 0.00 0.00 39.64 39.18 1jci n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1jci h GLN 240 N 1.59 0.11 -6.00 6.28 4.20 -1.26 -3.45 115.11 116.57 1jci h GLN 240 Ca 0.00 -0.18 -0.57 0.00 0.06 0.00 0.00 58.65 57.96 1jci h GLN 240 Cb 0.45 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 1jci h GLN 240 CO 0.00 0.81 0.20 0.34 -0.67 0.00 0.00 178.83 179.51 1jci s ASP 241 N -6.51 6.98 0.43 1.46 2.15 -0.72 -4.97 116.67 115.49 1jci s ASP 241 Ca -0.09 1.19 0.11 0.00 0.43 0.00 0.00 52.55 54.19 1jci s ASP 241 Cb 0.08 -2.43 0.95 0.00 -0.30 0.00 0.00 42.92 41.21 1jci s ASP 241 CO 0.82 -0.23 2.02 1.55 -0.17 0.00 0.00 175.17 179.16 1jci h PRO 242 N 7.00 0.24 -0.10 4.34 0.13 -1.90 0.79 132.00 142.49 1jci h PRO 242 Ca -0.37 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 1jci h PRO 242 Cb 1.17 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.27 1jci h PRO 242 CO 0.78 0.26 -0.57 0.87 -0.23 0.00 0.00 178.00 179.11 1jci h LYS 243 N 0.24 0.57 -0.58 0.86 1.57 -1.93 -2.90 116.57 114.39 1jci h LYS 243 Ca 0.06 -0.47 -0.09 0.00 -1.87 0.00 0.00 60.65 58.27 1jci h LYS 243 Cb 0.15 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1jci h LYS 243 CO 0.00 1.10 0.00 1.88 -0.57 0.00 0.00 179.45 181.86 1jci h TYR 244 N 0.18 1.12 -0.62 -1.35 0.99 -1.73 -3.14 116.97 112.43 1jci h TYR 244 Ca -0.04 -0.19 0.08 0.00 2.00 0.00 0.00 58.73 60.58 1jci h TYR 244 Cb 1.21 -0.29 -0.07 0.00 1.00 0.00 0.00 36.73 38.59 1jci h TYR 244 CO 0.11 1.00 0.27 1.25 -0.00 0.00 0.00 178.16 180.80 1jci h LEU 245 N 0.92 0.33 -0.89 3.88 5.85 0.39 -0.75 115.31 125.05 1jci h LEU 245 Ca 0.17 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1jci h LEU 245 Cb 0.55 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1jci h LEU 245 CO 0.03 0.20 0.56 0.28 -0.34 0.00 0.00 178.44 179.17 1jci h SER 246 N 0.49 0.89 -0.08 1.25 0.02 -1.46 -1.25 113.55 113.41 1jci h SER 246 Ca 0.30 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.08 1jci h SER 246 Cb 0.32 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1jci h SER 246 CO -0.26 0.57 -0.61 0.40 -1.14 0.00 0.00 176.83 175.79 1jci h ILE 247 N 1.02 1.30 -0.61 3.27 2.04 -1.40 -1.78 117.51 121.35 1jci h ILE 247 Ca 0.39 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.40 1jci h ILE 247 Cb 0.16 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1jci h ILE 247 CO -0.17 0.58 0.39 0.58 0.00 0.00 0.00 178.15 179.53 1jci h VAL 248 N 0.51 1.17 -0.77 1.67 2.07 -0.67 -1.25 116.25 118.98 1jci h VAL 248 Ca -0.00 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1jci h VAL 248 Cb 1.19 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1jci h VAL 248 CO 0.12 0.17 0.32 0.11 0.02 0.00 0.00 177.57 178.31 1jci h LYS 249 N 0.82 1.14 -0.25 1.57 1.57 -1.12 -0.76 116.57 119.54 1jci h LYS 249 Ca 0.22 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1jci h LYS 249 Cb -0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1jci h LYS 249 CO -0.04 0.91 0.16 1.49 -0.57 0.00 0.00 179.45 181.39 1jci h GLU 250 N 1.11 0.33 -0.10 3.15 4.81 -0.58 -2.37 114.58 120.94 1jci h GLU 250 Ca 0.26 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1jci h GLU 250 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1jci h GLU 250 CO -0.02 0.25 -0.53 1.88 -0.73 0.00 0.00 179.01 179.86 1jci h TYR 251 N 0.32 0.36 0.00 0.92 0.99 -1.06 -2.02 116.97 116.48 1jci h TYR 251 Ca 0.09 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 1jci h TYR 251 Cb -0.00 -0.07 -0.00 0.00 1.00 0.00 0.00 36.73 37.65 1jci h TYR 251 CO -0.05 0.76 -0.03 0.00 -0.00 0.00 0.00 178.16 178.83 1jci h ALA 252 N 1.22 1.03 -0.20 3.88 0.00 -0.93 -2.88 119.26 121.39 1jci h ALA 252 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jci h ALA 252 Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jci h ALA 252 CO 0.08 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1jci n ASN 253 N -3.17 2.45 -3.29 0.00 3.02 -0.91 -4.84 115.26 108.52 1jci n ASN 253 Ca -0.01 -1.77 -0.12 0.00 -0.03 0.00 0.00 54.58 52.66 1jci n ASN 253 Cb 0.25 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 1jci n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jci s ASP 254 N -0.94 0.27 0.22 6.41 -1.08 -0.79 -5.02 116.67 115.75 1jci s ASP 254 Ca 0.18 -1.43 -0.08 0.00 -0.52 0.00 0.00 52.55 50.70 1jci s ASP 254 Cb 0.10 0.99 0.27 0.00 -1.46 0.00 0.00 42.92 42.82 1jci s ASP 254 CO 0.14 -0.22 1.82 1.56 0.52 0.00 0.00 175.17 178.99 1jci h GLN 255 N 6.87 0.75 -0.62 4.34 4.20 -1.88 -2.16 115.11 126.62 1jci h GLN 255 Ca 0.06 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1jci h GLN 255 Cb 1.09 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1jci h GLN 255 CO 0.17 0.50 0.22 0.22 -0.67 0.00 0.00 178.83 179.26 1jci h ASP 256 N 0.77 0.88 -0.58 1.46 3.58 -1.95 -1.42 116.42 119.17 1jci h ASP 256 Ca 0.32 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1jci h ASP 256 Cb 0.19 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1jci h ASP 256 CO -0.18 0.84 0.31 0.50 -2.88 0.00 0.00 179.24 177.83 1jci h LYS 257 N 0.87 0.81 -0.43 0.28 1.63 -1.84 -0.64 116.57 117.26 1jci h LYS 257 Ca 0.20 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1jci h LYS 257 Cb 0.25 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1jci h LYS 257 CO -0.01 0.63 0.26 0.35 -3.45 0.00 0.00 179.45 177.22 1jci h PHE 258 N 0.78 0.56 -0.40 1.91 3.57 -1.17 -0.71 116.94 121.49 1jci h PHE 258 Ca 0.20 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1jci h PHE 258 Cb 0.06 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1jci h PHE 258 CO -0.01 0.40 0.20 0.74 -2.23 0.00 0.00 178.31 177.41 1jci h PHE 259 N 0.56 0.38 -0.31 0.41 0.05 -0.75 0.20 116.94 117.48 1jci h PHE 259 Ca 0.15 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.93 1jci h PHE 259 Cb -0.00 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 1jci h PHE 259 CO -0.03 0.20 0.09 0.87 -0.18 0.00 0.00 178.31 179.26 1jci h LYS 260 N 0.41 0.49 -0.37 1.51 1.57 -0.90 -1.56 116.57 117.72 1jci h LYS 260 Ca 0.17 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1jci h LYS 260 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1jci h LYS 260 CO -0.11 0.54 -0.27 -0.44 -0.57 0.00 0.00 179.45 178.59 1jci h ASP 261 N 0.34 0.80 -0.45 0.86 5.19 -0.90 -2.59 116.42 119.66 1jci h ASP 261 Ca 0.10 -0.31 -0.07 0.00 -0.62 0.00 0.00 57.03 56.13 1jci h ASP 261 Cb 0.26 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 1jci h ASP 261 CO -0.00 1.02 0.01 0.15 -3.12 0.00 0.00 179.24 177.30 1jci h PHE 262 N 0.66 0.86 -0.42 4.55 3.57 -0.54 -1.64 116.94 123.99 1jci h PHE 262 Ca 0.08 -0.15 0.06 0.00 3.53 0.00 0.00 57.97 61.49 1jci h PHE 262 Cb 0.80 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 1jci h PHE 262 CO 0.04 0.84 0.13 1.03 -2.23 0.00 0.00 178.31 178.12 1jci h SER 263 N 0.64 0.12 -0.28 0.41 0.87 -1.18 0.23 113.55 114.36 1jci h SER 263 Ca 0.13 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1jci h SER 263 Cb 0.49 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1jci h SER 263 CO 0.02 0.10 0.01 0.11 -0.53 0.00 0.00 176.83 176.55 1jci h LYS 264 N 0.29 0.49 -0.37 2.24 1.57 -1.36 -1.96 116.57 117.47 1jci h LYS 264 Ca 0.20 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1jci h LYS 264 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1jci h LYS 264 CO -0.21 0.63 -0.25 0.00 -0.57 0.00 0.00 179.45 179.05 1jci h ALA 265 N 0.84 0.86 -0.38 3.86 0.00 -1.03 -1.51 119.26 121.91 1jci h ALA 265 Ca 0.08 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1jci h ALA 265 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jci h ALA 265 CO 0.01 0.63 -0.24 0.35 0.00 0.00 0.00 179.25 180.00 1jci h PHE 266 N 0.66 0.97 -0.53 0.00 -0.00 -0.54 0.20 116.94 117.70 1jci h PHE 266 Ca 0.09 -0.26 -0.07 0.00 -0.00 0.00 0.00 57.97 57.73 1jci h PHE 266 Cb 0.76 -0.22 -0.02 0.00 -0.00 0.00 0.00 35.95 36.47 1jci h PHE 266 CO 0.04 1.03 0.07 1.49 -0.00 0.00 0.00 178.31 180.94 1jci h GLU 267 N 0.63 0.88 -0.41 1.11 4.81 -1.29 -1.35 114.58 118.98 1jci h GLU 267 Ca 0.08 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1jci h GLU 267 Cb 0.81 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1jci h GLU 267 CO 0.07 0.87 0.24 -0.22 -0.73 0.00 0.00 179.01 179.23 1jci h LYS 268 N 0.76 0.46 -0.38 1.92 3.64 -1.10 -0.71 116.57 121.17 1jci h LYS 268 Ca 0.16 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1jci h LYS 268 Cb 0.43 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1jci h LYS 268 CO 0.01 0.31 0.13 1.25 -2.27 0.00 0.00 179.45 178.88 1jci h LEU 269 N 0.48 0.14 -0.45 5.20 5.85 -0.70 -0.20 115.31 125.62 1jci h LEU 269 Ca 0.16 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1jci h LEU 269 Cb 0.02 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1jci h LEU 269 CO -0.08 0.11 0.00 0.18 -0.34 0.00 0.00 178.44 178.32 1jci n LEU 270 N -5.02 0.49 -0.20 2.25 4.32 -0.53 -3.22 117.00 115.09 1jci n LEU 270 Ca 0.02 0.61 0.05 0.00 -0.02 0.00 0.00 56.01 56.67 1jci n LEU 270 Cb 0.14 -0.53 -0.01 0.00 -1.62 0.00 0.00 43.42 41.40 1jci n LEU 270 CO 0.27 -0.44 0.18 -0.62 -1.22 0.00 0.00 177.39 175.56 1jci n GLU 271 N -2.03 2.31 -1.65 3.23 1.02 -0.31 -4.71 120.64 118.49 1jci n GLU 271 Ca 0.03 -0.52 -0.46 0.00 -0.02 0.00 0.00 57.16 56.18 1jci n GLU 271 Cb 0.23 -1.07 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 1jci n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jci n ASN 272 N -0.38 2.48 0.00 1.62 3.02 -0.17 -1.75 115.26 120.06 1jci n ASN 272 Ca 0.04 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 1jci n ASN 272 Cb 0.20 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.00 1jci n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jci n GLY 273 N 2.31 1.73 3.74 7.41 0.00 -1.26 -4.46 105.19 114.67 1jci n GLY 273 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1jci n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jci s ILE 274 N -2.47 5.38 -0.29 -0.61 1.01 -0.72 -4.16 121.20 119.35 1jci s ILE 274 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.85 1jci s ILE 274 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1jci s ILE 274 CO 0.00 0.44 0.21 -0.89 0.00 0.00 0.00 174.94 174.70 1jci s THR 275 N 0.24 5.30 -0.31 2.92 2.01 0.93 -4.97 115.64 121.75 1jci s THR 275 Ca 0.11 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 1jci s THR 275 Cb -0.12 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1jci s THR 275 CO 0.01 0.20 0.22 -0.36 -0.69 0.00 0.00 174.62 174.00 1jci s PHE 276 N 1.77 3.22 0.57 4.92 0.08 -1.26 -1.02 117.98 126.27 1jci s PHE 276 Ca 0.07 -0.07 -0.20 0.00 0.12 0.00 0.00 56.93 56.86 1jci s PHE 276 Cb -0.16 -2.43 -0.05 0.00 -0.57 0.00 0.00 43.02 39.80 1jci s PHE 276 CO 0.11 -0.27 1.08 -0.35 -0.10 0.00 0.00 175.22 175.69 1jci n PRO 277 N 5.08 1.15 -0.06 0.24 -0.04 -1.26 -4.85 135.00 135.26 1jci n PRO 277 Ca -0.13 0.43 0.23 0.00 -0.04 0.00 0.00 63.50 63.99 1jci n PRO 277 Cb 0.51 -2.27 0.70 0.00 -0.04 0.00 0.00 33.50 32.40 1jci n PRO 277 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1jci h LYS 278 N 0.84 0.00 -0.64 0.54 1.63 -2.02 0.26 116.57 117.18 1jci h LYS 278 Ca -0.49 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1jci h LYS 278 Cb 1.35 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1jci h LYS 278 CO 0.53 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 176.13 1jci n ASP 279 N -4.34 4.81 -4.80 4.20 5.75 -1.26 -4.96 116.55 115.94 1jci n ASP 279 Ca 0.13 -2.60 -0.33 0.00 -0.01 0.00 0.00 54.79 51.98 1jci n ASP 279 Cb 0.73 -0.61 0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1jci n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jci s ALA 280 N -2.16 2.76 0.75 2.12 0.00 0.08 -4.99 121.76 120.31 1jci s ALA 280 Ca 0.48 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 1jci s ALA 280 Cb 0.34 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 20.27 1jci s ALA 280 CO 0.19 -0.75 1.21 -1.25 0.00 0.00 0.00 175.76 175.16 1jci s PRO 281 N -3.99 2.02 0.77 0.00 0.04 -1.26 -4.97 135.00 127.61 1jci s PRO 281 Ca 0.64 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 1jci s PRO 281 Cb -0.16 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1jci s PRO 281 CO 0.35 -1.93 1.10 -1.12 0.04 0.00 0.00 177.00 175.45 1jci s SER 282 N -2.04 4.38 0.47 6.66 0.01 -1.26 -4.94 113.70 116.98 1jci s SER 282 Ca 0.74 1.90 -0.24 0.00 1.31 0.00 0.00 55.95 59.66 1jci s SER 282 Cb -0.29 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.33 1jci s SER 282 CO 0.46 -2.12 1.33 -2.65 0.41 0.00 0.00 173.24 170.68 1jci n PRO 283 N -3.46 1.92 -3.43 12.44 -0.02 -1.26 -4.95 135.00 136.24 1jci n PRO 283 Ca 0.10 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.89 1jci n PRO 283 Cb 0.53 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 1jci n PRO 283 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1jci s PHE 284 N -1.24 3.70 -0.31 6.00 2.99 0.14 -4.79 117.98 124.47 1jci s PHE 284 Ca 0.65 1.04 0.03 0.00 0.00 0.00 0.00 56.93 58.65 1jci s PHE 284 Cb -0.46 -2.33 0.09 0.00 0.00 0.00 0.00 43.02 40.32 1jci s PHE 284 CO 0.55 0.57 0.01 0.42 -0.00 0.00 0.00 175.22 176.77 1jci s ILE 285 N -1.21 2.13 0.34 0.64 1.01 -1.26 -0.49 121.20 122.36 1jci s ILE 285 Ca 0.29 -2.08 -0.26 0.00 0.00 0.00 0.00 60.65 58.60 1jci s ILE 285 Cb -0.17 -2.49 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 1jci s ILE 285 CO 0.16 -0.45 1.01 -0.36 0.00 0.00 0.00 174.94 175.30 1jci s PHE 286 N 1.01 3.53 0.30 3.97 0.08 -1.26 -5.04 117.98 120.57 1jci s PHE 286 Ca 0.06 1.73 -0.22 0.00 0.12 0.00 0.00 56.93 58.61 1jci s PHE 286 Cb -0.19 -3.06 -0.09 0.00 -0.57 0.00 0.00 43.02 39.10 1jci s PHE 286 CO -0.08 -0.22 0.84 0.15 -0.10 0.00 0.00 175.22 175.81 1jci s LYS 287 N -2.07 4.35 0.81 0.44 1.02 -1.26 -4.99 119.74 118.04 1jci s LYS 287 Ca 0.52 1.06 -0.12 0.00 0.02 0.00 0.00 55.97 57.44 1jci s LYS 287 Cb -0.22 -2.71 0.08 0.00 -0.52 0.00 0.00 37.83 34.45 1jci s LYS 287 CO 0.28 0.27 1.14 0.95 -0.92 0.00 0.00 175.35 177.08 1jci s THR 288 N -1.69 2.43 0.22 2.17 -4.23 -1.26 -4.89 115.64 108.39 1jci s THR 288 Ca 0.49 0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 61.06 1jci s THR 288 Cb -0.16 -3.05 0.19 0.00 1.34 0.00 0.00 72.50 70.82 1jci s THR 288 CO 0.21 -0.18 1.89 -0.07 -0.54 0.00 0.00 174.62 175.92 1jci h LEU 289 N -1.08 0.94 -0.39 4.79 4.07 -1.96 -2.05 115.31 119.62 1jci h LEU 289 Ca -0.47 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.50 1jci h LEU 289 Cb 1.31 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 1jci h LEU 289 CO 0.64 0.67 0.21 -0.08 -1.08 0.00 0.00 178.44 178.79 1jci h GLU 290 N 1.10 0.41 0.00 1.13 4.81 -1.93 0.54 114.58 120.64 1jci h GLU 290 Ca 0.31 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1jci h GLU 290 Cb -0.09 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1jci h GLU 290 CO -0.08 0.27 -0.18 0.93 -0.73 0.00 0.00 179.01 179.22 1jci h GLU 291 N 0.42 0.00 -0.00 1.92 5.08 -1.82 -2.05 114.58 118.14 1jci h GLU 291 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1jci h GLU 291 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1jci h GLU 291 CO -0.10 0.18 -0.36 1.04 -1.00 0.00 0.00 179.01 178.77 1jci n GLN 292 N -4.29 0.08 -1.81 2.33 6.02 -0.70 -4.93 117.38 114.09 1jci n GLN 292 Ca -0.02 -0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.86 1jci n GLN 292 Cb 0.24 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.99 1jci n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jci n GLY 293 N 1.48 0.37 0.75 1.08 0.00 -0.02 -5.08 105.19 103.78 1jci n GLY 293 Ca 0.07 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.54 1jci n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36