#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jti n THR 2 N 0.00 -0.08 -0.82 1.09 5.66 -1.26 -4.92 114.28 113.95 2jti n THR 2 Ca 0.00 0.21 -0.30 0.00 -3.05 0.00 0.00 64.05 60.91 2jti n THR 2 Cb 0.00 -0.38 0.25 0.00 -1.55 0.00 0.00 70.33 68.66 2jti n THR 2 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2jti s PRO 3 N -2.69 -1.68 0.53 1.09 0.04 -1.26 -5.00 135.00 126.03 2jti s PRO 3 Ca 0.00 0.10 -0.19 0.00 0.04 0.00 0.00 61.00 60.95 2jti s PRO 3 Cb 0.00 -1.53 -0.06 0.00 0.04 0.00 0.00 34.50 32.95 2jti s PRO 3 CO 0.00 -4.05 1.07 -0.51 0.04 0.00 0.00 177.00 173.56 2jti s LEU 4 N -7.23 3.73 -0.13 -3.56 1.43 -1.25 -5.04 118.68 106.63 2jti s LEU 4 Ca 0.70 1.99 0.02 0.00 -1.03 0.00 0.00 54.13 55.80 2jti s LEU 4 Cb -0.13 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.53 2jti s LEU 4 CO 0.57 -1.03 -0.20 -0.69 0.23 0.00 0.00 176.35 175.24 2jti s VAL 5 N -2.02 2.34 -0.43 -1.59 1.01 -1.26 -4.89 120.40 113.56 2jti s VAL 5 Ca 0.68 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2jti s VAL 5 Cb -0.19 -1.94 0.12 0.00 0.00 0.00 0.00 36.38 34.37 2jti s VAL 5 CO 0.26 0.54 0.20 -1.00 0.00 0.00 0.00 175.10 175.11 2jti s HIS 6 N 0.59 3.57 -0.09 5.22 3.76 -1.26 -5.06 115.29 122.03 2jti s HIS 6 Ca -0.11 -2.69 -0.19 0.00 -0.15 0.00 0.00 55.06 51.91 2jti s HIS 6 Cb -0.16 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.38 2jti s HIS 6 CO 0.03 -0.93 0.54 0.08 -0.85 0.00 0.00 174.74 173.61 2jti s VAL 7 N 0.76 5.12 0.14 -0.90 1.01 -1.25 0.25 120.40 125.52 2jti s VAL 7 Ca 0.11 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 2jti s VAL 7 Cb -0.22 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 2jti s VAL 7 CO -0.05 0.33 1.26 0.00 0.00 0.00 0.00 175.10 176.65 2jti s ALA 8 N 0.51 3.48 -0.17 5.51 0.00 0.10 -4.81 121.76 126.37 2jti s ALA 8 Ca 0.29 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2jti s ALA 8 Cb -0.16 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.53 2jti s ALA 8 CO 0.13 -0.48 -0.09 0.45 0.00 0.00 0.00 175.76 175.78 2jti s SER 9 N 0.66 2.98 0.50 0.00 0.15 0.63 -4.64 113.70 113.98 2jti s SER 9 Ca 0.58 -0.70 -0.23 0.00 0.70 0.00 0.00 55.95 56.30 2jti s SER 9 Cb -0.33 -1.07 -0.07 0.00 -1.71 0.00 0.00 66.02 62.84 2jti s SER 9 CO 0.33 -0.15 1.26 0.52 1.20 0.00 0.00 173.24 176.41 2jti n VAL 10 N 4.79 3.27 -2.09 4.45 0.31 -1.26 -4.23 118.33 123.57 2jti n VAL 10 Ca -0.14 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.28 2jti n VAL 10 Cb 0.48 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 31.84 2jti n VAL 10 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2jti s GLU 11 N -2.58 4.32 -0.67 5.55 8.01 -1.26 -4.72 118.70 127.35 2jti s GLU 11 Ca 0.68 2.22 -0.39 0.00 0.01 0.00 0.00 54.97 57.48 2jti s GLU 11 Cb -0.45 -3.12 -0.20 0.00 -4.31 0.00 0.00 34.13 26.05 2jti s GLU 11 CO 0.53 -0.30 2.34 1.17 0.01 0.00 0.00 175.26 179.00 2jti n LYS 12 N 1.88 0.01 -3.65 1.61 0.00 -1.26 -1.88 118.16 114.88 2jti n LYS 12 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.14 2jti n LYS 12 Cb 0.41 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 33.93 2jti n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jti n GLY 13 N 7.13 -1.25 3.73 3.14 0.00 -1.26 -5.02 105.19 111.67 2jti n GLY 13 Ca 0.59 0.55 -0.31 0.00 0.00 0.00 0.00 46.02 46.84 2jti n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jti s ARG 14 N -4.76 2.14 0.24 1.61 1.81 -0.79 -5.11 118.95 114.09 2jti s ARG 14 Ca 0.06 -2.31 -0.10 0.00 -1.72 0.00 0.00 55.73 51.66 2jti s ARG 14 Cb -0.03 -1.58 0.04 0.00 -0.45 0.00 0.00 34.95 32.93 2jti s ARG 14 CO 0.87 -0.29 0.53 -1.13 -0.68 0.00 0.00 175.30 174.61 2jti n SER 15 N -1.20 -1.44 -0.01 0.23 3.41 -1.26 -4.95 113.62 108.40 2jti n SER 15 Ca -0.15 -1.97 -0.01 0.00 -0.26 0.00 0.00 58.87 56.48 2jti n SER 15 Cb 0.67 2.39 -0.00 0.00 -0.26 0.00 0.00 64.21 67.00 2jti n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2jti h TYR 16 N 1.64 -0.09 -0.94 7.33 3.20 -2.00 -1.22 116.97 124.90 2jti h TYR 16 Ca -0.21 0.00 0.28 0.00 3.14 0.00 0.00 58.73 61.95 2jti h TYR 16 Cb 0.80 0.04 -0.17 0.00 1.54 0.00 0.00 36.73 38.93 2jti h TYR 16 CO 0.00 -0.02 0.11 0.39 -1.64 0.00 0.00 178.16 177.00 2jti n GLU 17 N -2.87 -0.07 -0.11 1.82 1.02 -1.26 0.43 120.64 119.60 2jti n GLU 17 Ca -0.00 1.38 0.02 0.00 -0.02 0.00 0.00 57.16 58.54 2jti n GLU 17 Cb 0.02 -2.25 0.32 0.00 -0.02 0.00 0.00 31.44 29.51 2jti n GLU 17 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2jti h ASP 18 N 0.00 0.68 1.65 1.62 3.32 -1.62 -1.86 116.42 120.21 2jti h ASP 18 Ca 0.61 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.57 2jti h ASP 18 Cb 1.34 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2jti h ASP 18 CO -0.85 0.52 -0.36 -0.26 -1.72 0.00 0.00 179.24 176.57 2jti h PHE 19 N 0.79 0.00 0.00 4.55 0.04 0.96 -3.23 116.94 120.05 2jti h PHE 19 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 2jti h PHE 19 Cb -0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.11 2jti h PHE 19 CO 0.00 0.27 0.00 0.37 -0.60 0.00 0.00 178.31 178.35 2jti h GLN 20 N 0.00 0.00 0.06 1.51 4.15 0.15 -2.99 115.11 117.99 2jti h GLN 20 Ca -0.01 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.17 2jti h GLN 20 Cb 1.21 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.93 2jti h GLN 20 CO 0.03 0.00 -0.96 0.87 -1.93 0.00 0.00 178.83 176.84 2jti h LYS 21 N 0.00 0.55 -0.45 1.69 1.57 -1.47 -2.17 116.57 116.29 2jti h LYS 21 Ca 0.00 -0.67 -0.03 0.00 -1.87 0.00 0.00 60.65 58.09 2jti h LYS 21 Cb 0.68 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 2jti h LYS 21 CO 0.00 1.27 0.17 0.28 -0.57 0.00 0.00 179.45 180.60 2jti h VAL 22 N 0.12 1.18 0.09 0.50 2.07 -1.56 -1.23 116.25 117.42 2jti h VAL 22 Ca -0.14 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2jti h VAL 22 Cb 1.66 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2jti h VAL 22 CO 0.19 0.22 -0.04 0.22 0.02 0.00 0.00 177.57 178.17 2jti h TYR 23 N 0.65 -0.11 -0.32 1.57 5.03 -1.58 -0.05 116.97 122.16 2jti h TYR 23 Ca 0.16 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.51 2jti h TYR 23 Cb 0.15 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.42 2jti h TYR 23 CO 0.01 0.10 0.06 -0.91 -1.32 0.00 0.00 178.16 176.10 2jti h ASN 24 N -0.32 0.01 0.08 -2.11 2.35 -1.05 3.05 115.58 117.59 2jti h ASN 24 Ca -0.01 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2jti h ASN 24 Cb 0.27 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2jti h ASN 24 CO 0.02 0.04 -0.08 0.00 -1.65 0.00 0.00 177.43 175.76 2jti h ALA 25 N 1.24 -0.15 0.04 -0.83 0.00 -0.98 0.19 119.26 118.76 2jti h ALA 25 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jti h ALA 25 Cb 0.16 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2jti h ALA 25 CO -0.20 -0.60 -0.02 0.82 0.00 0.00 0.00 179.25 179.26 2jti h ILE 26 N -0.18 0.97 -0.74 0.00 2.04 -0.58 -1.45 117.51 117.56 2jti h ILE 26 Ca 0.00 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2jti h ILE 26 Cb 0.17 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 2jti h ILE 26 CO -0.02 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.46 2jti h ALA 27 N 0.91 1.05 -0.41 1.87 0.00 0.60 -2.25 119.26 121.03 2jti h ALA 27 Ca -0.00 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2jti h ALA 27 Cb 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jti h ALA 27 CO 0.01 -0.14 -0.08 -0.07 0.00 0.00 0.00 179.25 178.97 2jti h LEU 28 N 0.52 0.78 -2.09 0.00 3.38 -0.75 -2.81 115.31 114.35 2jti h LEU 28 Ca 0.39 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jti h LEU 28 Cb 0.53 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2jti h LEU 28 CO -0.35 0.95 -0.01 0.11 0.09 0.00 0.00 178.44 179.24 2jti h LYS 29 N 0.60 0.00 0.05 1.13 1.57 -0.68 0.65 116.57 119.89 2jti h LYS 29 Ca 0.11 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.64 2jti h LYS 29 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2jti h LYS 29 CO 0.04 0.01 -1.05 1.25 -0.57 0.00 0.00 179.45 179.13 2jti h LEU 30 N 0.00 0.52 -0.35 2.94 6.46 -1.24 0.57 115.31 124.22 2jti h LEU 30 Ca -0.00 -0.46 -0.13 0.00 -0.12 0.00 0.00 57.88 57.17 2jti h LEU 30 Cb 0.30 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2jti h LEU 30 CO 0.00 1.28 -0.29 -0.09 -0.62 0.00 0.00 178.44 178.72 2jti h ARG 31 N 0.19 0.81 0.20 1.25 2.43 -0.25 -3.35 114.38 115.66 2jti h ARG 31 Ca -0.10 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2jti h ARG 31 Cb 1.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 2jti h ARG 31 CO 0.18 1.04 -0.10 0.93 -1.51 0.00 0.00 179.97 180.51 2jti h GLU 32 N 0.60 -0.26 -1.88 0.20 3.07 0.23 -3.35 114.58 113.19 2jti h GLU 32 Ca 0.06 0.02 -0.42 0.00 -0.50 0.00 0.00 59.36 58.52 2jti h GLU 32 Cb 0.87 0.06 -0.15 0.00 -0.84 0.00 0.00 28.75 28.68 2jti h GLU 32 CO 0.08 0.14 0.31 -0.25 -1.40 0.00 0.00 179.01 177.88 2jti n ASP 33 N -4.98 6.33 0.00 1.42 8.00 0.18 -4.70 116.55 122.81 2jti n ASP 33 Ca -0.08 -3.09 0.06 0.00 0.71 0.00 0.00 54.79 52.39 2jti n ASP 33 Cb 0.26 -1.21 0.32 0.00 -0.02 0.00 0.00 41.12 40.48 2jti n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2jti n ASP 34 N 0.92 0.00 0.19 -2.24 5.75 -1.25 -3.23 116.55 116.68 2jti n ASP 34 Ca 0.43 -0.19 0.12 0.00 -0.01 0.00 0.00 54.79 55.14 2jti n ASP 34 Cb 0.60 -0.11 0.12 0.00 -1.03 0.00 0.00 41.12 40.70 2jti n ASP 34 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2jti h GLU 35 N 0.00 0.00 -6.27 0.11 5.08 -1.93 -3.38 114.58 108.19 2jti h GLU 35 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 2jti h GLU 35 Cb 0.04 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.38 2jti h GLU 35 CO 0.00 0.00 0.09 0.98 -1.00 0.00 0.00 179.01 179.08 2jti n TYR 36 N -2.97 0.92 -3.61 4.33 9.36 -1.20 -1.92 117.16 122.08 2jti n TYR 36 Ca 0.03 0.77 -0.20 0.00 3.32 0.00 0.00 57.90 61.81 2jti n TYR 36 Cb 0.54 -2.20 0.01 0.00 -0.63 0.00 0.00 39.34 37.05 2jti n TYR 36 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2jti n ASP 37 N 1.82 -5.64 -2.89 2.98 8.00 -1.26 0.11 116.55 119.67 2jti n ASP 37 Ca 0.15 -0.76 -0.19 0.00 0.71 0.00 0.00 54.79 54.70 2jti n ASP 37 Cb 0.24 -2.84 0.00 0.00 -0.02 0.00 0.00 41.12 38.51 2jti n ASP 37 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jti n ASN 38 N -2.38 -4.48 -0.81 -2.24 3.02 -1.16 -1.38 115.26 105.84 2jti n ASN 38 Ca -0.20 -0.13 -0.04 0.00 -0.03 0.00 0.00 54.58 54.18 2jti n ASN 38 Cb 0.62 -3.71 0.01 0.00 -0.61 0.00 0.00 39.78 36.09 2jti n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2jti n TYR 39 N -3.88 -0.37 -0.01 3.10 4.02 -0.38 -4.93 117.16 114.71 2jti n TYR 39 Ca -0.10 0.11 -0.17 0.00 -0.01 0.00 0.00 57.90 57.73 2jti n TYR 39 Cb 0.59 -1.60 -0.14 0.00 -0.02 0.00 0.00 39.34 38.17 2jti n TYR 39 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2jti n ILE 40 N -3.25 1.72 0.00 -0.72 5.41 0.12 -4.96 119.36 117.68 2jti n ILE 40 Ca -0.01 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 63.04 2jti n ILE 40 Cb 0.52 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.94 2jti n ILE 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jti n GLY 41 N 1.88 -3.42 0.67 7.39 0.00 -0.60 -4.61 105.19 106.50 2jti n GLY 41 Ca -0.28 -2.12 0.11 0.00 0.00 0.00 0.00 46.02 43.73 2jti n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jti n TYR 42 N -0.04 0.24 0.00 1.61 4.01 -1.26 -4.57 117.16 117.14 2jti n TYR 42 Ca 0.00 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2jti n TYR 42 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2jti n TYR 42 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jti n GLY 43 N 1.21 -3.07 0.33 2.72 0.00 -1.26 -1.98 105.19 103.14 2jti n GLY 43 Ca 0.17 0.30 -0.07 0.00 0.00 0.00 0.00 46.02 46.43 2jti n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jti h PRO 44 N 0.00 -0.20 -0.89 1.61 0.13 -1.87 -0.62 132.00 130.16 2jti h PRO 44 Ca 0.00 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.21 2jti h PRO 44 Cb 0.00 0.05 -0.06 0.00 0.13 0.00 0.00 31.00 31.12 2jti h PRO 44 CO 0.00 -0.14 0.58 -0.24 -0.23 0.00 0.00 178.00 177.97 2jti h VAL 45 N -0.21 1.06 -0.07 1.56 3.04 -1.86 0.95 116.25 120.72 2jti h VAL 45 Ca 0.19 -0.34 -0.11 0.00 -1.01 0.00 0.00 66.70 65.43 2jti h VAL 45 Cb 0.53 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.77 2jti h VAL 45 CO -0.58 0.18 -0.46 -0.07 -1.01 0.00 0.00 177.57 175.64 2jti h LEU 46 N 1.00 0.18 -0.36 3.16 3.38 -0.49 0.18 115.31 122.36 2jti h LEU 46 Ca 0.38 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 58.08 2jti h LEU 46 Cb 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jti h LEU 46 CO -0.14 0.62 -0.81 1.62 0.09 0.00 0.00 178.44 179.82 2jti h VAL 47 N 0.14 1.44 -0.45 1.22 3.04 0.00 -2.23 116.25 119.43 2jti h VAL 47 Ca 0.01 -2.40 -0.09 0.00 -1.01 0.00 0.00 66.70 63.21 2jti h VAL 47 Cb 0.87 2.31 -0.02 0.00 -2.01 0.00 0.00 31.29 32.44 2jti h VAL 47 CO 0.07 0.71 -0.09 -0.09 -1.01 0.00 0.00 177.57 177.16 2jti h ARG 48 N 0.16 0.79 -0.39 4.17 2.43 -1.01 -2.26 114.38 118.27 2jti h ARG 48 Ca -0.04 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 58.77 2jti h ARG 48 Cb 1.40 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 2jti h ARG 48 CO 0.13 0.85 -0.22 1.25 -1.51 0.00 0.00 179.97 180.47 2jti h LEU 49 N 0.72 0.77 -0.34 3.80 5.85 -0.50 -1.51 115.31 124.11 2jti h LEU 49 Ca 0.13 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2jti h LEU 49 Cb 0.56 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2jti h LEU 49 CO 0.03 0.98 0.15 0.00 -0.34 0.00 0.00 178.44 179.26 2jti h ALA 50 N 1.08 0.40 -0.06 1.25 0.00 -0.86 -2.98 119.26 118.09 2jti h ALA 50 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jti h ALA 50 Cb 0.73 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jti h ALA 50 CO 0.06 -0.23 0.03 2.35 0.00 0.00 0.00 179.25 181.46 2jti h TRP 51 N 0.32 0.09 0.00 0.00 2.91 -1.24 -3.05 115.95 114.98 2jti h TRP 51 Ca 0.14 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 2jti h TRP 51 Cb 0.07 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 28.70 2jti h TRP 51 CO -0.11 0.20 -0.03 0.45 -1.03 0.00 0.00 178.44 177.92 2jti h HIS 52 N -0.04 0.00 0.00 2.65 3.86 -1.15 0.35 115.15 120.82 2jti h HIS 52 Ca 0.02 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 2jti h HIS 52 Cb 0.14 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2jti h HIS 52 CO -0.03 0.03 -1.58 0.44 0.86 0.00 0.00 177.93 177.65 2jti n ILE 53 N -3.35 0.70 -0.07 2.45 -6.64 -1.14 -4.05 119.36 107.26 2jti n ILE 53 Ca -0.02 -0.61 -0.12 0.00 -1.77 0.00 0.00 62.75 60.22 2jti n ILE 53 Cb 0.15 -0.37 -0.14 0.00 -1.44 0.00 0.00 39.64 37.83 2jti n ILE 53 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 2jti n SER 54 N -2.63 0.86 0.00 7.28 7.64 -0.69 -3.30 113.62 122.78 2jti n SER 54 Ca -0.08 0.12 0.07 0.00 1.01 0.00 0.00 58.87 59.98 2jti n SER 54 Cb 0.71 0.22 0.39 0.00 -1.01 0.00 0.00 64.21 64.53 2jti n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jti n GLY 55 N 1.82 -0.50 0.03 0.23 0.00 0.11 -2.53 105.19 104.35 2jti n GLY 55 Ca -0.31 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 45.76 2jti n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jti n THR 56 N -1.07 0.16 -1.58 2.61 -2.24 -1.26 -4.61 114.28 106.29 2jti n THR 56 Ca 0.09 -0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 2jti n THR 56 Cb 0.06 -0.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2jti n THR 56 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2jti n TRP 57 N -1.74 0.50 -3.77 4.78 -0.00 -1.05 -4.33 117.44 111.83 2jti n TRP 57 Ca 0.05 0.45 -0.30 0.00 -0.00 0.00 0.00 57.50 57.71 2jti n TRP 57 Cb 0.37 -2.11 -0.15 0.00 -0.00 0.00 0.00 31.31 29.43 2jti n TRP 57 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2jti s ASP 58 N -1.16 4.03 0.64 5.87 -1.08 -0.41 -4.70 116.67 119.85 2jti s ASP 58 Ca 0.72 -1.62 0.41 0.00 -0.52 0.00 0.00 52.55 51.55 2jti s ASP 58 Cb -0.44 -0.94 2.24 0.00 -1.46 0.00 0.00 42.92 42.33 2jti s ASP 58 CO 0.50 -0.40 2.33 0.07 0.52 0.00 0.00 175.17 178.19 2jti h LYS 59 N 8.05 0.00 -0.50 4.34 2.10 -1.61 0.13 116.57 129.08 2jti h LYS 59 Ca -0.13 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.47 2jti h LYS 59 Cb 1.02 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 2jti h LYS 59 CO 0.47 0.00 0.10 0.45 -2.00 0.00 0.00 179.45 178.47 2jti h HIS 60 N 0.00 0.86 -0.04 0.07 3.86 -1.97 -3.31 115.15 114.63 2jti h HIS 60 Ca -0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2jti h HIS 60 Cb 0.04 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2jti h HIS 60 CO 0.00 0.78 0.00 -0.40 0.86 0.00 0.00 177.93 179.17 2jti n ASP 61 N -4.43 1.65 -3.70 2.45 5.75 -1.15 -4.81 116.55 112.30 2jti n ASP 61 Ca 0.01 -1.47 -0.25 0.00 -0.01 0.00 0.00 54.79 53.08 2jti n ASP 61 Cb 0.24 -0.03 0.06 0.00 -1.03 0.00 0.00 41.12 40.36 2jti n ASP 61 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2jti n ASN 62 N 0.03 -4.76 -4.89 -1.12 5.15 0.45 -3.77 115.26 106.35 2jti n ASN 62 Ca 0.02 -0.66 -0.20 0.00 -0.60 0.00 0.00 54.58 53.14 2jti n ASN 62 Cb 0.16 -4.55 -0.03 0.00 -0.53 0.00 0.00 39.78 34.84 2jti n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2jti s THR 63 N -3.36 3.58 0.00 -0.44 -4.23 -1.23 -4.68 115.64 105.28 2jti s THR 63 Ca 0.48 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2jti s THR 63 Cb -0.22 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2jti s THR 63 CO 0.77 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 2jti n GLY 64 N -1.47 -1.46 0.00 3.99 0.00 -1.26 -1.29 105.19 103.71 2jti n GLY 64 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2jti n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jti n GLY 65 N 0.00 0.95 0.26 -0.02 0.00 -1.26 -4.53 105.19 100.59 2jti n GLY 65 Ca 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 2jti n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jti h SER 66 N 0.00 0.88 0.00 1.61 4.64 -1.77 -3.39 113.55 115.52 2jti h SER 66 Ca 0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2jti h SER 66 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 2jti h SER 66 CO 0.00 1.14 0.00 0.00 -0.87 0.00 0.00 176.83 177.10 2jti n TYR 67 N -4.06 0.00 1.02 4.77 9.36 -1.26 -1.57 117.16 125.42 2jti n TYR 67 Ca -0.02 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.30 2jti n TYR 67 Cb 0.52 -0.12 0.52 0.00 -0.63 0.00 0.00 39.34 39.63 2jti n TYR 67 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2jti n GLY 68 N -0.99 -0.82 4.37 2.98 0.00 -1.22 -2.86 105.19 106.64 2jti n GLY 68 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2jti n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jti n GLY 69 N 0.31 -0.35 0.00 -0.02 0.00 -0.61 -2.80 105.19 101.73 2jti n GLY 69 Ca 0.11 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.39 2jti n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jti n THR 70 N -4.27 0.03 0.31 2.61 -2.24 -1.26 -3.40 114.28 106.06 2jti n THR 70 Ca -0.00 0.01 0.20 0.00 -2.27 0.00 0.00 64.05 61.98 2jti n THR 70 Cb 0.52 -0.53 0.98 0.00 -2.10 0.00 0.00 70.33 69.21 2jti n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2jti h TYR 71 N 0.00 0.00 0.00 4.78 3.20 -1.94 -1.54 116.97 121.47 2jti h TYR 71 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jti h TYR 71 Cb 0.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2jti h TYR 71 CO 0.00 0.01 0.00 2.89 -1.64 0.00 0.00 178.16 179.42 2jti n ARG 72 N -3.15 0.54 -4.02 1.82 1.85 -1.22 -3.23 116.66 109.25 2jti n ARG 72 Ca -0.02 0.02 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 2jti n ARG 72 Cb 0.17 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.02 2jti n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2jti s PHE 73 N -2.11 3.31 0.24 2.89 0.08 -0.58 -4.94 117.98 116.87 2jti s PHE 73 Ca 0.27 0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.44 2jti s PHE 73 Cb 0.13 -1.69 0.41 0.00 -0.57 0.00 0.00 43.02 41.30 2jti s PHE 73 CO 0.24 0.55 1.79 0.87 -0.10 0.00 0.00 175.22 178.56 2jti h LYS 74 N 3.43 0.66 -0.04 0.44 1.57 -1.88 -0.09 116.57 120.66 2jti h LYS 74 Ca -0.47 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.31 2jti h LYS 74 Cb 1.17 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.27 2jti h LYS 74 CO 0.68 0.44 -0.40 -0.22 -0.57 0.00 0.00 179.45 179.38 2jti h LYS 75 N 0.68 -0.51 -0.18 3.15 3.64 -1.93 0.75 116.57 122.18 2jti h LYS 75 Ca 0.40 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.75 2jti h LYS 75 Cb 0.44 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2jti h LYS 75 CO -0.28 -0.34 -0.11 1.49 -2.27 0.00 0.00 179.45 177.94 2jti h GLU 76 N -0.53 0.40 -0.72 1.90 4.81 -1.68 -2.88 114.58 115.88 2jti h GLU 76 Ca 0.06 -0.18 0.10 0.00 -0.13 0.00 0.00 59.36 59.21 2jti h GLU 76 Cb 0.63 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 2jti h GLU 76 CO -0.33 0.72 0.48 0.35 -0.73 0.00 0.00 179.01 179.49 2jti h PHE 77 N 0.07 0.62 -0.01 0.92 3.57 -0.82 -0.80 116.94 120.49 2jti h PHE 77 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jti h PHE 77 Cb 0.61 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2jti h PHE 77 CO 0.07 0.29 -0.18 0.09 -2.23 0.00 0.00 178.31 176.35 2jti n ASN 78 N -4.49 1.39 -4.64 0.41 3.02 0.26 -4.89 115.26 106.32 2jti n ASN 78 Ca 0.12 -1.22 -0.50 0.00 -0.03 0.00 0.00 54.58 52.95 2jti n ASN 78 Cb 0.37 0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.59 2jti n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jti n ASP 79 N -0.20 2.46 0.33 6.41 -0.08 -0.31 -4.82 116.55 120.35 2jti n ASP 79 Ca 0.14 1.08 0.23 0.00 -1.51 0.00 0.00 54.79 54.73 2jti n ASP 79 Cb 0.38 -1.29 1.20 0.00 2.34 0.00 0.00 41.12 43.75 2jti n ASP 79 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2jti h PRO 80 N 5.93 0.00 -0.11 -0.67 0.13 -1.91 0.15 132.00 135.53 2jti h PRO 80 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jti h PRO 80 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2jti h PRO 80 CO 0.86 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.50 2jti n SER 81 N -3.05 1.07 -1.23 1.44 3.41 -1.26 -2.81 113.62 111.19 2jti n SER 81 Ca -0.03 -1.61 0.09 0.00 -0.26 0.00 0.00 58.87 57.06 2jti n SER 81 Cb 0.07 -0.07 0.29 0.00 -0.26 0.00 0.00 64.21 64.24 2jti n SER 81 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jti n ASN 82 N -0.07 4.02 -4.75 4.04 3.02 0.51 -4.99 115.26 117.04 2jti n ASN 82 Ca 0.15 -2.27 -0.41 0.00 -0.03 0.00 0.00 54.58 52.02 2jti n ASN 82 Cb 0.23 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 2jti n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jti s ALA 83 N -1.50 3.59 0.00 5.41 0.00 -1.12 -2.65 121.76 125.48 2jti s ALA 83 Ca 0.43 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2jti s ALA 83 Cb 0.26 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2jti s ALA 83 CO 0.23 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2jti n GLY 84 N 1.86 1.33 0.04 0.00 0.00 -1.26 -4.90 105.19 102.26 2jti n GLY 84 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2jti n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jti n LEU 85 N 0.00 0.42 -0.07 0.99 4.77 -1.08 -3.34 117.00 118.69 2jti n LEU 85 Ca 0.00 0.43 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 2jti n LEU 85 Cb 0.00 -0.37 0.42 0.00 -2.33 0.00 0.00 43.42 41.14 2jti n LEU 85 CO 0.00 -0.05 1.18 1.56 -1.33 0.00 0.00 177.39 178.75 2jti h GLN 86 N 0.00 0.57 -0.21 3.23 7.50 -1.91 0.88 115.11 125.17 2jti h GLN 86 Ca 0.00 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.15 2jti h GLN 86 Cb 0.61 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.00 2jti h GLN 86 CO 0.00 0.37 0.14 -0.91 -1.50 0.00 0.00 178.83 176.94 2jti h ASN 87 N 0.58 0.13 0.45 1.46 2.35 -1.97 -0.10 115.58 118.48 2jti h ASN 87 Ca 0.22 -0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.67 2jti h ASN 87 Cb 0.16 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 2jti h ASN 87 CO -0.06 0.09 -1.51 1.23 -1.65 0.00 0.00 177.43 175.53 2jti h GLY 88 N 0.15 0.32 0.95 2.83 0.00 -1.08 -3.20 103.07 103.04 2jti h GLY 88 Ca 0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 2jti h GLY 88 CO -0.01 0.71 0.18 -2.75 0.00 0.00 0.00 176.54 174.67 2jti h PHE 89 N 0.08 0.55 -0.31 5.60 3.57 0.52 -2.94 116.94 124.00 2jti h PHE 89 Ca -0.24 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.26 2jti h PHE 89 Cb 2.02 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 40.57 2jti h PHE 89 CO 0.07 0.47 0.15 0.87 -2.23 0.00 0.00 178.31 177.64 2jti h LYS 90 N 0.47 0.31 -0.48 1.11 1.79 -1.42 -1.66 116.57 116.69 2jti h LYS 90 Ca 0.13 -0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.70 2jti h LYS 90 Cb 0.12 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2jti h LYS 90 CO -0.02 0.21 0.34 0.35 -1.08 0.00 0.00 179.45 179.25 2jti h PHE 91 N 0.32 0.10 -0.01 -1.35 3.57 -1.52 -1.31 116.94 116.73 2jti h PHE 91 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2jti h PHE 91 Cb 0.05 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2jti h PHE 91 CO -0.10 0.04 -0.35 1.28 -2.23 0.00 0.00 178.31 176.95 2jti n LEU 92 N -4.42 1.73 -0.17 0.59 4.77 -0.85 -4.51 117.00 114.14 2jti n LEU 92 Ca 0.08 -0.77 -0.08 0.00 -0.03 0.00 0.00 56.01 55.22 2jti n LEU 92 Cb 0.49 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2jti n LEU 92 CO 0.36 0.33 1.02 1.05 -1.33 0.00 0.00 177.39 178.82 2jti h GLU 93 N 1.97 0.70 -0.17 3.23 4.11 -0.33 -1.30 114.58 122.80 2jti h GLU 93 Ca 0.00 -0.08 0.02 0.00 0.07 0.00 0.00 59.36 59.37 2jti h GLU 93 Cb 0.60 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2jti h GLU 93 CO 0.00 0.55 -0.24 -1.00 0.07 0.00 0.00 179.01 178.39 2jti h PRO 94 N 0.67 -0.17 -0.93 1.06 0.13 -1.79 0.18 132.00 131.15 2jti h PRO 94 Ca 0.18 0.01 0.27 0.00 -0.87 0.00 0.00 66.00 65.59 2jti h PRO 94 Cb 0.06 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.19 2jti h PRO 94 CO -0.03 -0.11 0.71 0.82 -0.23 0.00 0.00 178.00 179.16 2jti h ILE 95 N -0.17 0.45 -0.23 -3.56 2.04 -1.77 0.74 117.51 115.00 2jti h ILE 95 Ca 0.03 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.72 2jti h ILE 95 Cb 0.26 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2jti h ILE 95 CO -0.25 0.00 -0.55 -0.74 0.00 0.00 0.00 178.15 176.60 2jti h HIS 96 N 0.00 0.89 -0.40 1.37 2.76 0.55 -2.21 115.15 118.11 2jti h HIS 96 Ca 0.44 -0.32 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2jti h HIS 96 Cb 1.86 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 30.64 2jti h HIS 96 CO 0.00 1.10 -0.02 0.87 -1.30 0.00 0.00 177.93 178.58 2jti h LYS 97 N 0.54 0.65 0.23 5.26 6.56 -0.28 -0.56 116.57 128.97 2jti h LYS 97 Ca 0.01 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.42 2jti h LYS 97 Cb 1.13 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 2jti h LYS 97 CO 0.11 0.69 -0.11 1.49 -2.06 0.00 0.00 179.45 179.57 2jti h GLU 98 N 0.62 -0.29 -2.33 3.15 4.81 -1.34 -3.35 114.58 115.84 2jti h GLU 98 Ca 0.12 0.02 -0.65 0.00 -0.13 0.00 0.00 59.36 58.72 2jti h GLU 98 Cb 0.42 0.07 -0.38 0.00 0.63 0.00 0.00 28.75 29.49 2jti h GLU 98 CO 0.02 -0.09 -0.19 1.19 -0.73 0.00 0.00 179.01 179.20 2jti n PHE 99 N -5.16 3.52 0.09 0.92 3.72 -0.84 -4.92 117.46 114.78 2jti n PHE 99 Ca -0.09 -3.66 0.01 0.00 -0.05 0.00 0.00 57.45 53.66 2jti n PHE 99 Cb 0.19 -0.71 0.04 0.00 -0.94 0.00 0.00 39.48 38.06 2jti n PHE 99 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2jti n PRO 100 N 0.30 0.04 0.06 -1.08 -0.04 -0.27 -2.90 135.00 131.11 2jti n PRO 100 Ca 0.33 0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.75 2jti n PRO 100 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 2jti n PRO 100 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2jti h TRP 101 N 0.00 0.36 -3.98 0.54 5.08 -1.91 -3.46 115.95 112.58 2jti h TRP 101 Ca 0.00 -0.27 -0.53 0.00 1.08 0.00 0.00 58.89 59.17 2jti h TRP 101 Cb 0.01 -0.01 0.10 0.00 -3.00 0.00 0.00 29.16 26.25 2jti h TRP 101 CO 0.00 1.30 0.63 -1.50 -1.28 0.00 0.00 178.44 177.59 2jti s ILE 102 N -2.63 2.38 0.64 0.12 2.07 -1.14 -4.96 121.20 117.68 2jti s ILE 102 Ca -0.07 0.33 -0.10 0.00 -1.41 0.00 0.00 60.65 59.40 2jti s ILE 102 Cb 0.07 -3.19 -0.01 0.00 0.13 0.00 0.00 42.46 39.47 2jti s ILE 102 CO 0.85 0.04 1.02 -0.94 -1.91 0.00 0.00 174.94 174.00 2jti s SER 103 N -0.73 5.81 0.24 4.50 1.04 -1.26 -4.92 113.70 118.38 2jti s SER 103 Ca 0.61 1.16 -0.06 0.00 0.48 0.00 0.00 55.95 58.14 2jti s SER 103 Cb -0.40 -2.11 0.33 0.00 0.10 0.00 0.00 66.02 63.93 2jti s SER 103 CO 0.50 -1.07 1.85 0.28 0.98 0.00 0.00 173.24 175.78 2jti h SER 104 N -0.40 0.81 -0.87 7.02 0.02 -1.92 -1.69 113.55 116.53 2jti h SER 104 Ca -0.45 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2jti h SER 104 Cb 1.23 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 2jti h SER 104 CO 0.63 0.52 0.49 1.23 -1.14 0.00 0.00 176.83 178.55 2jti h GLY 105 N 0.95 1.28 1.92 -3.77 0.00 -1.80 -0.49 103.07 101.15 2jti h GLY 105 Ca 0.37 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 2jti h GLY 105 CO -0.17 0.55 -0.63 -0.55 0.00 0.00 0.00 176.54 175.74 2jti h ASP 106 N 1.20 0.10 -0.02 0.19 3.32 -1.63 -2.83 116.42 116.74 2jti h ASP 106 Ca 0.31 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 2jti h ASP 106 Cb 0.01 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2jti h ASP 106 CO -0.05 0.70 -0.21 0.25 -1.72 0.00 0.00 179.24 178.21 2jti h LEU 107 N 0.06 0.22 -0.85 1.55 5.85 -1.08 -2.12 115.31 118.94 2jti h LEU 107 Ca -0.01 -0.70 -0.04 0.00 0.84 0.00 0.00 57.88 57.97 2jti h LEU 107 Cb 1.12 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2jti h LEU 107 CO 0.09 0.89 0.33 -0.26 -0.34 0.00 0.00 178.44 179.15 2jti h PHE 108 N -0.43 1.19 0.02 1.25 0.04 -1.12 -1.59 116.94 116.30 2jti h PHE 108 Ca -0.02 -0.08 -0.26 0.00 2.80 0.00 0.00 57.97 60.41 2jti h PHE 108 Cb 0.90 -0.36 0.02 0.00 2.20 0.00 0.00 35.95 38.71 2jti h PHE 108 CO 0.16 0.89 -1.01 0.66 -0.60 0.00 0.00 178.31 178.41 2jti h SER 109 N 1.15 0.86 -0.89 2.17 4.64 -1.60 -3.07 113.55 116.81 2jti h SER 109 Ca 0.27 -0.75 0.09 0.00 -0.47 0.00 0.00 61.79 60.92 2jti h SER 109 Cb 0.19 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 61.96 2jti h SER 109 CO -0.02 1.51 0.57 0.25 -0.87 0.00 0.00 176.83 178.26 2jti h LEU 110 N 0.31 0.81 -1.34 5.97 5.85 -1.31 0.13 115.31 125.74 2jti h LEU 110 Ca -0.13 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2jti h LEU 110 Cb 1.68 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.52 2jti h LEU 110 CO 0.20 0.49 0.47 1.23 -0.34 0.00 0.00 178.44 180.48 2jti h GLY 111 N 0.90 0.99 2.00 3.75 0.00 -1.31 0.18 103.07 109.57 2jti h GLY 111 Ca 0.40 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 47.22 2jti h GLY 111 CO -0.17 0.30 -0.84 -1.33 0.00 0.00 0.00 176.54 174.50 2jti h GLY 112 N 0.87 0.00 1.19 4.60 0.00 -0.65 -2.73 103.07 106.35 2jti h GLY 112 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 2jti h GLY 112 CO -0.08 0.00 0.03 -2.08 0.00 0.00 0.00 176.54 174.41 2jti h VAL 113 N 0.00 1.26 -0.44 4.60 2.07 -0.73 -2.55 116.25 120.46 2jti h VAL 113 Ca -0.01 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 2jti h VAL 113 Cb 1.62 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2jti h VAL 113 CO 0.11 0.39 0.07 0.74 0.02 0.00 0.00 177.57 178.90 2jti h THR 114 N 0.91 1.24 -0.50 2.57 2.02 -0.70 -2.42 112.91 116.04 2jti h THR 114 Ca 0.17 -0.88 -0.11 0.00 0.77 0.00 0.00 66.41 66.36 2jti h THR 114 Cb 0.49 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2jti h THR 114 CO 0.02 0.31 -0.13 0.00 0.37 0.00 0.00 175.52 176.09 2jti h ALA 115 N 0.94 0.82 0.15 6.16 0.00 -1.34 0.65 119.26 126.64 2jti h ALA 115 Ca 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jti h ALA 115 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jti h ALA 115 CO 0.01 0.65 -0.07 0.28 0.00 0.00 0.00 179.25 180.12 2jti h VAL 116 N 0.84 0.99 -0.01 0.00 2.07 -1.46 -0.80 116.25 117.88 2jti h VAL 116 Ca 0.13 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2jti h VAL 116 Cb 0.67 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2jti h VAL 116 CO 0.05 0.16 0.00 1.56 0.02 0.00 0.00 177.57 179.36 2jti h GLN 117 N -0.53 0.01 -0.32 1.57 4.20 -1.39 0.77 115.11 119.41 2jti h GLN 117 Ca -0.02 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.71 2jti h GLN 117 Cb 0.41 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2jti h GLN 117 CO 0.03 0.05 0.22 0.93 -0.67 0.00 0.00 178.83 179.39 2jti h GLU 118 N -0.03 0.34 -0.60 1.46 4.39 0.31 -0.58 114.58 119.87 2jti h GLU 118 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2jti h GLU 118 Cb 0.04 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2jti h GLU 118 CO -0.00 0.23 0.00 -1.33 -1.16 0.00 0.00 179.01 176.75 2jti n MET 119 N -4.49 1.61 -1.63 2.33 2.81 -0.31 -4.87 117.12 112.57 2jti n MET 119 Ca 0.03 -0.60 -0.05 0.00 -1.81 0.00 0.00 57.70 55.27 2jti n MET 119 Cb 0.13 -1.43 -0.01 0.00 -0.71 0.00 0.00 33.22 31.20 2jti n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2jti n GLN 120 N 0.05 -0.38 -0.51 0.03 6.02 -0.22 -2.04 117.38 120.33 2jti n GLN 120 Ca 0.05 0.46 -0.04 0.00 -0.01 0.00 0.00 57.00 57.46 2jti n GLN 120 Cb 0.31 -4.21 0.03 0.00 1.02 0.00 0.00 30.24 27.39 2jti n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jti n GLY 121 N -1.68 -0.52 3.83 1.08 0.00 0.27 -4.73 105.19 103.44 2jti n GLY 121 Ca -0.06 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 2jti n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jti s PRO 122 N -3.22 0.92 0.28 1.61 0.04 -1.26 -4.57 135.00 128.79 2jti s PRO 122 Ca 0.11 0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.88 2jti s PRO 122 Cb -0.00 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 2jti s PRO 122 CO 0.08 -2.30 0.98 0.15 0.04 0.00 0.00 177.00 175.95 2jti s LYS 123 N -5.53 4.71 -0.27 4.56 -0.14 -1.26 -4.29 119.74 117.51 2jti s LYS 123 Ca 0.67 1.53 0.00 0.00 -1.36 0.00 0.00 55.97 56.81 2jti s LYS 123 Cb -0.10 -3.11 0.08 0.00 -1.68 0.00 0.00 37.83 33.02 2jti s LYS 123 CO 0.53 0.36 0.03 0.42 -0.76 0.00 0.00 175.35 175.92 2jti s ILE 124 N -1.30 1.31 0.61 2.17 1.01 -1.26 -4.85 121.20 118.89 2jti s ILE 124 Ca 0.45 -1.39 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 2jti s ILE 124 Cb -0.26 -1.81 -0.09 0.00 0.01 0.00 0.00 42.46 40.32 2jti s ILE 124 CO 0.32 -0.39 0.35 -0.81 0.00 0.00 0.00 174.94 174.41 2jti n PRO 125 N 4.71 0.34 -3.80 2.79 -0.04 -1.26 -4.85 135.00 132.90 2jti n PRO 125 Ca -0.06 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 2jti n PRO 125 Cb 0.43 -1.57 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 2jti n PRO 125 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2jti s TRP 126 N -1.83 -0.00 0.10 0.54 -0.00 0.04 -4.87 118.94 112.92 2jti s TRP 126 Ca 0.65 -0.25 0.04 0.00 -0.00 0.00 0.00 56.10 56.54 2jti s TRP 126 Cb -0.42 0.03 -0.04 0.00 -0.00 0.00 0.00 33.47 33.05 2jti s TRP 126 CO 0.58 -0.51 -0.11 1.03 -0.00 0.00 0.00 176.95 177.95 2jti s ARG 127 N -3.00 0.89 0.48 5.86 0.52 -1.26 0.10 118.95 122.54 2jti s ARG 127 Ca -0.02 -1.19 0.07 0.00 -0.52 0.00 0.00 55.73 54.07 2jti s ARG 127 Cb 0.01 -0.61 0.01 0.00 0.52 0.00 0.00 34.95 34.87 2jti s ARG 127 CO -0.06 0.10 0.39 0.00 0.02 0.00 0.00 175.30 175.75 2jti n GLY 129 N -1.64 1.39 3.55 0.00 0.00 -1.26 -4.75 105.19 102.47 2jti n GLY 129 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2jti n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jti n ARG 130 N 0.00 0.70 -4.56 1.61 1.74 -1.26 -0.26 116.66 114.63 2jti n ARG 130 Ca 0.00 0.28 -0.22 0.00 -0.77 0.00 0.00 57.85 57.14 2jti n ARG 130 Cb 0.00 -1.95 -0.15 0.00 -1.02 0.00 0.00 32.46 29.35 2jti n ARG 130 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jti s VAL 131 N -1.61 1.11 0.28 1.55 1.01 -1.14 -4.68 120.40 116.93 2jti s VAL 131 Ca 0.73 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2jti s VAL 131 Cb -0.43 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.90 2jti s VAL 131 CO 0.50 0.22 1.07 -1.81 0.00 0.00 0.00 175.10 175.08 2jti s ASP 132 N -0.58 7.29 0.02 3.32 1.01 -1.26 -3.45 116.67 123.02 2jti s ASP 132 Ca 0.04 2.20 0.03 0.00 0.71 0.00 0.00 52.55 55.54 2jti s ASP 132 Cb -0.06 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2jti s ASP 132 CO 0.00 -0.12 -0.11 0.42 0.21 0.00 0.00 175.17 175.57 2jti s THR 133 N -1.21 0.83 0.63 -1.27 -4.23 -1.12 -4.98 115.64 104.29 2jti s THR 133 Ca 0.45 -0.74 -0.17 0.00 -1.18 0.00 0.00 61.69 60.05 2jti s THR 133 Cb -0.30 -0.75 -0.10 0.00 1.34 0.00 0.00 72.50 72.68 2jti s THR 133 CO 0.39 0.02 0.17 -0.81 -0.54 0.00 0.00 174.62 173.85 2jti n PRO 134 N 2.25 0.22 0.24 3.99 -0.04 -1.26 -4.72 135.00 135.68 2jti n PRO 134 Ca -0.17 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 2jti n PRO 134 Cb 0.56 -1.42 0.45 0.00 -0.04 0.00 0.00 33.50 33.04 2jti n PRO 134 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jti h GLU 135 N -0.14 0.00 0.00 0.54 4.81 -1.99 0.36 114.58 118.16 2jti h GLU 135 Ca -0.44 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 2jti h GLU 135 Cb 1.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 2jti h GLU 135 CO 0.42 0.00 -0.24 0.38 -0.73 0.00 0.00 179.01 178.83 2jti h ASP 136 N 0.00 0.00 0.00 1.04 3.04 -2.03 -2.84 116.42 115.63 2jti h ASP 136 Ca 0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 2jti h ASP 136 Cb 1.50 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.79 2jti h ASP 136 CO -0.00 0.24 0.00 0.35 -2.04 0.00 0.00 179.24 177.79 2jti n THR 137 N -3.31 0.00 -2.34 1.15 -2.24 0.12 -4.83 114.28 102.83 2jti n THR 137 Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2jti n THR 137 Cb 0.50 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 2jti n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jti s THR 138 N -2.00 4.03 0.37 4.28 2.01 -1.08 -4.72 115.64 118.54 2jti s THR 138 Ca 0.12 1.17 -0.27 0.00 0.31 0.00 0.00 61.69 63.02 2jti s THR 138 Cb 0.06 -4.04 -0.12 0.00 0.01 0.00 0.00 72.50 68.41 2jti s THR 138 CO 0.09 -0.42 1.29 -0.81 -0.69 0.00 0.00 174.62 174.09 2jti n PRO 139 N 7.38 2.10 -1.80 4.92 -0.04 -1.26 -4.96 135.00 141.34 2jti n PRO 139 Ca 0.16 0.74 -0.33 0.00 -0.04 0.00 0.00 63.50 64.03 2jti n PRO 139 Cb 0.46 -2.36 0.04 0.00 -0.04 0.00 0.00 33.50 31.60 2jti n PRO 139 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jti s ASP 140 N -0.36 5.17 0.52 3.54 1.11 -1.26 -4.63 116.67 120.76 2jti s ASP 140 Ca 0.57 2.01 -0.21 0.00 0.18 0.00 0.00 52.55 55.10 2jti s ASP 140 Cb -0.55 -2.55 -0.06 0.00 1.07 0.00 0.00 42.92 40.83 2jti s ASP 140 CO 0.61 -1.59 1.24 0.20 1.18 0.00 0.00 175.17 176.81 2jti s ASN 141 N -2.52 5.64 0.00 0.27 -0.87 -1.26 -4.22 114.94 111.98 2jti s ASN 141 Ca 0.67 2.47 0.00 0.00 -1.57 0.00 0.00 52.86 54.43 2jti s ASN 141 Cb -0.21 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.41 2jti s ASN 141 CO 0.40 -1.29 0.00 0.61 -2.57 0.00 0.00 177.10 174.25 2jti n GLY 142 N 0.54 0.81 0.35 0.66 0.00 -1.26 -5.00 105.19 101.29 2jti n GLY 142 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2jti n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jti n ARG 143 N -0.94 1.47 -4.08 1.61 1.74 -1.26 -4.88 116.66 110.31 2jti n ARG 143 Ca 0.00 -0.69 -0.26 0.00 -0.77 0.00 0.00 57.85 56.13 2jti n ARG 143 Cb 0.00 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 2jti n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jti s LEU 144 N -1.82 3.83 0.68 0.55 1.43 -1.26 -4.72 118.68 117.37 2jti s LEU 144 Ca 0.37 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 2jti s LEU 144 Cb 0.19 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.99 2jti s LEU 144 CO 0.30 0.06 1.17 -2.16 0.23 0.00 0.00 176.35 175.95 2jti s PRO 145 N -3.19 2.53 0.10 1.29 0.04 -1.26 -5.05 135.00 129.45 2jti s PRO 145 Ca 0.31 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.95 2jti s PRO 145 Cb -0.10 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2jti s PRO 145 CO 0.24 -1.51 0.30 0.34 0.04 0.00 0.00 177.00 176.41 2jti s ASP 146 N -2.17 6.44 -0.03 6.66 -1.08 -1.26 -5.02 116.67 120.21 2jti s ASP 146 Ca 0.72 0.45 0.16 0.00 -0.52 0.00 0.00 52.55 53.36 2jti s ASP 146 Cb -0.26 -2.04 -0.20 0.00 -1.46 0.00 0.00 42.92 38.96 2jti s ASP 146 CO 0.42 0.11 0.60 0.00 0.52 0.00 0.00 175.17 176.82 2jti n ALA 147 N 0.23 1.77 -0.68 3.66 0.00 -1.26 -4.45 120.51 119.78 2jti n ALA 147 Ca -0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 53.44 52.58 2jti n ALA 147 Cb 0.51 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 2jti n ALA 147 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jti n ASP 148 N -2.86 5.37 -0.96 0.00 2.03 -1.26 -1.22 116.55 117.64 2jti n ASP 148 Ca -0.16 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 52.68 2jti n ASP 148 Cb 0.95 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 2jti n ASP 148 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jti n LYS 149 N 1.77 0.59 -3.92 -0.67 4.76 -1.26 -4.97 118.16 114.45 2jti n LYS 149 Ca 0.15 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.38 2jti n LYS 149 Cb 0.63 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.77 2jti n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2jti n ASP 150 N -1.95 1.33 -0.32 4.39 5.75 -1.26 -3.30 116.55 121.19 2jti n ASP 150 Ca 0.00 -2.73 0.24 0.00 -0.01 0.00 0.00 54.79 52.29 2jti n ASP 150 Cb 0.00 0.77 0.53 0.00 -1.03 0.00 0.00 41.12 41.40 2jti n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jti h ALA 151 N 1.51 2.31 0.05 2.12 0.00 -1.90 -1.07 119.26 122.28 2jti h ALA 151 Ca -0.26 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 2jti h ALA 151 Cb 0.97 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2jti h ALA 151 CO 0.41 -0.70 -1.07 0.78 0.00 0.00 0.00 179.25 178.67 2jti h GLY 152 N 0.36 0.17 1.57 0.00 0.00 -1.96 -1.47 103.07 101.73 2jti h GLY 152 Ca 0.58 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 2jti h GLY 152 CO -0.26 0.35 -0.11 -1.82 0.00 0.00 0.00 176.54 174.70 2jti h TYR 153 N 0.05 0.56 0.26 5.60 3.20 -1.60 -2.81 116.97 122.24 2jti h TYR 153 Ca -0.07 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 2jti h TYR 153 Cb 1.79 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.91 2jti h TYR 153 CO 0.03 0.62 -0.13 0.28 -1.64 0.00 0.00 178.16 177.33 2jti h VAL 154 N 0.49 0.78 -0.81 1.81 2.07 -1.47 0.38 116.25 119.50 2jti h VAL 154 Ca 0.09 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.35 2jti h VAL 154 Cb 0.48 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2jti h VAL 154 CO 0.03 0.07 0.51 -0.09 0.02 0.00 0.00 177.57 178.10 2jti h ARG 155 N -0.50 0.95 0.16 1.57 2.43 -1.26 -0.04 114.38 117.68 2jti h ARG 155 Ca -0.04 -0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 58.78 2jti h ARG 155 Cb 0.38 -0.21 0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2jti h ARG 155 CO 0.06 0.63 -1.30 1.79 -1.51 0.00 0.00 179.97 179.63 2jti h THR 156 N 0.97 1.34 -0.58 0.20 1.35 -1.44 -2.71 112.91 112.05 2jti h THR 156 Ca 0.33 -2.68 0.03 0.00 -0.55 0.00 0.00 66.41 63.55 2jti h THR 156 Cb 0.06 2.85 -0.04 0.00 -1.73 0.00 0.00 68.15 69.28 2jti h THR 156 CO -0.13 0.80 0.34 0.15 -0.25 0.00 0.00 175.52 176.43 2jti h PHE 157 N 0.19 0.63 0.00 4.73 3.57 -0.03 -2.64 116.94 123.38 2jti h PHE 157 Ca -0.19 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.27 2jti h PHE 157 Cb 1.99 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 2jti h PHE 157 CO 0.10 0.34 -0.30 0.74 -2.23 0.00 0.00 178.31 176.96 2jti h PHE 158 N 0.66 0.00 -0.14 0.41 0.04 -0.97 -2.54 116.94 114.40 2jti h PHE 158 Ca 0.24 0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.05 2jti h PHE 158 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2jti h PHE 158 CO -0.07 0.30 0.13 1.96 -0.60 0.00 0.00 178.31 180.03 2jti h GLN 159 N 0.00 0.00 0.00 1.51 4.20 -1.13 -1.30 115.11 118.39 2jti h GLN 159 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2jti h GLN 159 Cb 0.75 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 2jti h GLN 159 CO 0.04 0.00 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.02 2jti h ARG 160 N 0.00 0.00 -0.00 1.46 2.43 -1.53 -1.78 114.38 114.96 2jti h ARG 160 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2jti h ARG 160 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2jti h ARG 160 CO -0.00 0.09 -0.69 1.28 -1.51 0.00 0.00 179.97 179.14 2jti n LEU 161 N -3.72 0.95 -0.36 3.80 4.77 -0.53 -1.57 117.00 120.33 2jti n LEU 161 Ca -0.02 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2jti n LEU 161 Cb 0.20 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2jti n LEU 161 CO 0.30 0.22 0.00 -3.20 -1.33 0.00 0.00 177.39 173.37 2jti n ASN 162 N -1.25 -1.62 -4.40 -1.43 5.15 -0.67 -4.97 115.26 106.07 2jti n ASN 162 Ca 0.06 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.73 2jti n ASN 162 Cb 0.35 -0.45 -0.14 0.00 -0.53 0.00 0.00 39.78 39.02 2jti n ASN 162 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2jti s MET 163 N -4.32 1.99 0.64 1.20 -1.94 -1.01 -5.02 119.30 110.84 2jti s MET 163 Ca 0.00 -1.01 -0.04 0.00 -1.71 0.00 0.00 55.69 52.93 2jti s MET 163 Cb 0.00 -2.10 0.13 0.00 2.01 0.00 0.00 34.83 34.87 2jti s MET 163 CO 0.00 0.54 0.87 0.27 -0.01 0.00 0.00 175.02 176.69 2jti n ASN 164 N 1.77 0.79 -0.20 3.03 0.23 -1.26 -4.16 115.26 115.47 2jti n ASN 164 Ca -0.17 -1.76 -0.06 0.00 -0.53 0.00 0.00 54.58 52.06 2jti n ASN 164 Cb 0.52 -0.60 0.03 0.00 -2.08 0.00 0.00 39.78 37.65 2jti n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2jti h ASP 165 N -0.73 0.67 -0.34 0.53 5.19 -1.98 -1.05 116.42 118.70 2jti h ASP 165 Ca -0.29 -0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 55.93 2jti h ASP 165 Cb 0.96 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 2jti h ASP 165 CO 0.27 0.50 -0.42 -0.09 -3.12 0.00 0.00 179.24 176.38 2jti h ARG 166 N 0.78 0.88 0.00 3.56 2.43 -1.95 -2.41 114.38 117.68 2jti h ARG 166 Ca 0.21 -0.50 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 2jti h ARG 166 Cb -0.07 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2jti h ARG 166 CO -0.04 1.14 -0.25 0.93 -1.51 0.00 0.00 179.97 180.23 2jti h GLU 167 N 0.68 0.00 0.07 0.20 5.08 -1.91 -1.75 114.58 116.96 2jti h GLU 167 Ca 0.04 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.13 2jti h GLU 167 Cb 1.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2jti h GLU 167 CO 0.10 0.25 -1.34 -0.39 -1.00 0.00 0.00 179.01 176.64 2jti h VAL 168 N 0.00 1.36 -0.19 3.13 -1.51 -0.97 -2.30 116.25 115.76 2jti h VAL 168 Ca -0.00 -3.02 -0.19 0.00 -1.23 0.00 0.00 66.70 62.25 2jti h VAL 168 Cb 0.51 2.79 0.01 0.00 -2.13 0.00 0.00 31.29 32.46 2jti h VAL 168 CO 0.03 0.84 -0.63 0.58 -1.23 0.00 0.00 177.57 177.17 2jti h VAL 169 N 0.04 1.29 0.07 7.19 2.07 -1.37 -2.90 116.25 122.65 2jti h VAL 169 Ca -0.16 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.52 2jti h VAL 169 Cb 1.94 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 2jti h VAL 169 CO 0.15 0.58 -0.03 0.00 0.02 0.00 0.00 177.57 178.29 2jti h ALA 170 N 0.58 -0.10 -0.93 1.67 0.00 -1.40 -3.08 119.26 116.01 2jti h ALA 170 Ca -0.02 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2jti h ALA 170 Cb 1.25 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2jti h ALA 170 CO 0.13 -0.43 0.56 -0.07 0.00 0.00 0.00 179.25 179.45 2jti h LEU 171 N -0.34 0.82 -1.77 0.00 3.38 -1.49 0.46 115.31 116.37 2jti h LEU 171 Ca -0.01 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2jti h LEU 171 Cb 0.30 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jti h LEU 171 CO 0.02 0.45 -0.16 0.24 0.09 0.00 0.00 178.44 179.08 2jti h MET 172 N 0.91 0.00 0.00 1.13 2.86 -1.48 -2.13 114.93 116.23 2jti h MET 172 Ca 0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 2jti h MET 172 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2jti h MET 172 CO -0.26 0.16 0.16 0.78 1.06 0.00 0.00 176.91 178.81 2jti h GLY 173 N 0.86 0.00 2.00 8.32 0.00 -0.81 0.64 103.07 114.08 2jti h GLY 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jti h GLY 173 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 2jti h ALA 174 N 1.59 1.00 0.00 3.60 0.00 -1.54 -0.65 119.26 123.27 2jti h ALA 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jti h ALA 174 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jti h ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 2jti n HIS 175 N -2.68 0.00 0.17 0.00 8.25 0.22 -2.41 115.22 118.77 2jti n HIS 175 Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 2jti n HIS 175 Cb 0.08 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.31 2jti n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jti h ALA 176 N 2.18 0.79 -3.00 -1.41 0.00 -1.33 -3.41 119.26 113.07 2jti h ALA 176 Ca 0.00 -0.33 -0.58 0.00 0.00 0.00 0.00 54.91 54.00 2jti h ALA 176 Cb 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 2jti h ALA 176 CO 0.00 0.45 -0.24 -0.51 0.00 0.00 0.00 179.25 178.95 2jti s LEU 177 N -6.46 4.27 0.00 0.00 1.43 -1.01 -4.36 118.68 112.55 2jti s LEU 177 Ca 0.04 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2jti s LEU 177 Cb 0.07 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2jti s LEU 177 CO 0.71 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.97 2jti n GLY 178 N 3.27 -0.38 2.33 -3.19 0.00 0.49 -4.90 105.19 102.80 2jti n GLY 178 Ca -0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 2jti n GLY 178 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jti n LYS 179 N 0.00 0.54 -3.98 1.61 2.85 -1.26 -4.15 118.16 113.77 2jti n LYS 179 Ca 0.00 -1.12 -0.32 0.00 -1.05 0.00 0.00 58.31 55.81 2jti n LYS 179 Cb 0.00 1.45 -0.05 0.00 -0.65 0.00 0.00 35.03 35.78 2jti n LYS 179 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2jti s THR 180 N -2.35 5.12 -0.26 0.58 -4.23 1.40 -4.90 115.64 111.00 2jti s THR 180 Ca 0.12 -0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.24 2jti s THR 180 Cb -0.02 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.42 2jti s THR 180 CO 0.05 0.27 -0.01 -1.00 -0.54 0.00 0.00 174.62 173.39 2jti s HIS 181 N -1.34 3.09 0.35 3.99 0.09 -1.17 -0.35 115.29 119.95 2jti s HIS 181 Ca 0.28 -1.31 0.12 0.00 -0.00 0.00 0.00 55.06 54.16 2jti s HIS 181 Cb -0.12 -2.13 0.94 0.00 -0.00 0.00 0.00 32.58 31.26 2jti s HIS 181 CO 0.20 -0.66 1.77 1.25 -0.00 0.00 0.00 174.74 177.30 2jti h LEU 182 N 8.10 0.60 -1.22 0.89 5.85 -0.86 0.14 115.31 128.81 2jti h LEU 182 Ca -0.33 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2jti h LEU 182 Cb 1.12 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2jti h LEU 182 CO 0.59 0.16 -0.24 0.07 -0.34 0.00 0.00 178.44 178.68 2jti h LYS 183 N 0.55 0.00 0.17 1.25 2.10 -1.96 -1.30 116.57 117.37 2jti h LYS 183 Ca 0.59 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.90 2jti h LYS 183 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2jti h LYS 183 CO -0.35 0.24 -1.71 -0.91 -2.00 0.00 0.00 179.45 174.72 2jti h ASN 184 N 0.00 0.55 0.00 7.07 2.35 -1.10 -3.45 115.58 120.99 2jti h ASN 184 Ca -0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 2jti h ASN 184 Cb 0.70 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2jti h ASN 184 CO 0.03 1.76 0.00 -1.54 -1.65 0.00 0.00 177.43 176.03 2jti n SER 185 N -3.66 0.00 0.00 5.81 3.41 -0.71 -4.75 113.62 113.72 2jti n SER 185 Ca -0.26 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 2jti n SER 185 Cb 1.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 2jti n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jti n GLY 186 N 0.00 2.00 3.54 5.00 0.00 -0.50 -4.98 105.19 110.25 2jti n GLY 186 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2jti n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jti s TYR 187 N -2.85 2.46 -0.15 1.61 2.02 -1.26 -4.52 117.35 114.66 2jti s TYR 187 Ca 0.00 -0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.34 2jti s TYR 187 Cb 0.00 -1.09 0.06 0.00 -0.40 0.00 0.00 41.96 40.53 2jti s TYR 187 CO 0.00 0.66 0.35 -2.00 -1.57 0.00 0.00 175.55 172.99 2jti s GLU 188 N -3.50 0.30 0.00 -0.62 2.56 -1.26 -0.11 118.70 116.07 2jti s GLU 188 Ca 0.30 0.76 0.00 0.00 0.00 0.00 0.00 54.97 56.03 2jti s GLU 188 Cb -0.06 0.01 0.00 0.00 2.00 0.00 0.00 34.13 36.08 2jti s GLU 188 CO 0.17 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.08 2jti n GLY 189 N 4.62 3.02 3.94 -1.50 0.00 0.53 -4.84 105.19 110.96 2jti n GLY 189 Ca -0.19 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.67 2jti n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jti s PRO 190 N -2.11 3.42 0.32 1.61 0.04 -1.26 0.42 135.00 137.45 2jti s PRO 190 Ca 0.00 -0.61 0.17 0.00 0.04 0.00 0.00 61.00 60.60 2jti s PRO 190 Cb 0.00 -2.95 0.32 0.00 0.04 0.00 0.00 34.50 31.91 2jti s PRO 190 CO 0.00 0.52 1.56 -1.49 0.04 0.00 0.00 177.00 177.63 2jti h TRP 191 N 2.11 0.00 -1.91 0.56 6.55 -1.76 -2.70 115.95 118.79 2jti h TRP 191 Ca -0.49 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.35 2jti h TRP 191 Cb 1.20 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 2jti h TRP 191 CO 0.53 0.43 0.00 0.41 -1.05 0.00 0.00 178.44 178.76 2jti n GLY 192 N 0.85 2.56 0.12 1.49 0.00 -1.26 -4.73 105.19 104.22 2jti n GLY 192 Ca 0.01 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 2jti n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jti h ALA 193 N 1.77 0.29 -0.82 4.61 0.00 -1.92 -3.40 119.26 119.78 2jti h ALA 193 Ca 0.00 -1.23 -0.75 0.00 0.00 0.00 0.00 54.91 52.93 2jti h ALA 193 Cb 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 2jti h ALA 193 CO 0.00 0.92 2.14 0.00 0.00 0.00 0.00 179.25 182.31 2jti n ALA 194 N -3.15 6.25 0.01 0.00 0.00 -1.26 -4.84 120.51 117.51 2jti n ALA 194 Ca -0.30 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 48.92 2jti n ALA 194 Cb 0.85 -2.78 0.02 0.00 0.00 0.00 0.00 19.45 17.55 2jti n ALA 194 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jti n ASN 195 N 2.25 0.02 0.00 0.00 3.02 -1.26 -1.99 115.26 117.29 2jti n ASN 195 Ca 0.53 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 55.46 2jti n ASN 195 Cb 0.29 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2jti n ASN 195 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2jti n ASN 196 N -1.40 1.43 -4.12 6.41 6.94 -1.26 -0.38 115.26 122.87 2jti n ASN 196 Ca -0.00 -1.70 -0.27 0.00 -0.02 0.00 0.00 54.58 52.59 2jti n ASN 196 Cb 0.14 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.40 2jti n ASN 196 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2jti s VAL 197 N -0.70 1.50 -0.63 3.53 0.11 -0.84 -4.73 120.40 118.64 2jti s VAL 197 Ca 0.00 -0.72 -0.28 0.00 -2.93 0.00 0.00 61.98 58.05 2jti s VAL 197 Cb 0.00 -1.31 0.02 0.00 -1.53 0.00 0.00 36.38 33.56 2jti s VAL 197 CO 0.00 0.43 1.35 0.12 -3.33 0.00 0.00 175.10 173.67 2jti s PHE 198 N 0.30 2.31 0.00 1.54 5.36 -0.87 -4.87 117.98 121.75 2jti s PHE 198 Ca -0.11 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.17 2jti s PHE 198 Cb -0.14 -4.48 0.00 0.00 -0.34 0.00 0.00 43.02 38.06 2jti s PHE 198 CO 0.04 -1.95 0.00 0.25 -1.46 0.00 0.00 175.22 172.11 2jti n THR 199 N 6.68 0.00 -1.19 0.12 -2.24 -1.26 -4.59 114.28 111.80 2jti n THR 199 Ca 0.09 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.85 2jti n THR 199 Cb 0.49 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.97 2jti n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2jti n ASN 200 N -0.47 3.57 -0.22 3.42 2.04 -1.26 -4.68 115.26 117.66 2jti n ASN 200 Ca 0.00 -3.38 0.00 0.00 -0.44 0.00 0.00 54.58 50.77 2jti n ASN 200 Cb 0.00 -0.64 0.12 0.00 -2.53 0.00 0.00 39.78 36.73 2jti n ASN 200 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2jti h GLU 201 N 1.63 0.51 -0.77 -3.83 5.08 -1.96 -2.62 114.58 112.62 2jti h GLU 201 Ca 0.19 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2jti h GLU 201 Cb 1.82 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 30.87 2jti h GLU 201 CO 0.46 0.34 -0.46 0.34 -1.00 0.00 0.00 179.01 178.69 2jti n PHE 202 N -4.91 -0.34 -0.17 4.33 7.35 -1.26 -0.41 117.46 122.04 2jti n PHE 202 Ca 0.10 0.97 -0.11 0.00 -0.76 0.00 0.00 57.45 57.65 2jti n PHE 202 Cb 0.26 -0.56 0.00 0.00 0.35 0.00 0.00 39.48 39.54 2jti n PHE 202 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2jti h TYR 203 N 0.00 1.11 -0.07 -5.13 0.05 -1.84 -2.45 116.97 108.63 2jti h TYR 203 Ca 0.12 -0.24 -0.10 0.00 0.05 0.00 0.00 58.73 58.57 2jti h TYR 203 Cb 0.32 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2jti h TYR 203 CO -0.81 1.05 -0.41 -0.07 -1.05 0.00 0.00 178.16 176.87 2jti h LEU 204 N 0.85 0.17 -0.10 3.88 3.38 -0.73 -2.75 115.31 120.01 2jti h LEU 204 Ca 0.13 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2jti h LEU 204 Cb 0.69 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2jti h LEU 204 CO 0.05 0.56 -0.07 0.78 0.09 0.00 0.00 178.44 179.86 2jti h ASN 205 N 0.14 0.23 -0.37 -0.43 4.21 -0.59 0.29 115.58 119.07 2jti h ASN 205 Ca 0.01 -0.44 0.07 0.00 1.21 0.00 0.00 56.30 57.15 2jti h ASN 205 Cb 0.78 -0.07 -0.09 0.00 -1.12 0.00 0.00 38.32 37.83 2jti h ASN 205 CO 0.06 0.63 -0.35 0.25 -1.29 0.00 0.00 177.43 176.73 2jti h LEU 206 N -0.16 -1.16 0.00 1.61 5.85 -1.41 -1.03 115.31 119.02 2jti h LEU 206 Ca 0.02 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2jti h LEU 206 Cb 0.55 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2jti h LEU 206 CO 0.02 -0.34 -0.64 0.17 -0.34 0.00 0.00 178.44 177.31 2jti h LEU 207 N -0.29 0.00 0.00 2.25 8.10 -1.50 -3.38 115.31 120.49 2jti h LEU 207 Ca 0.16 -0.04 -0.17 0.00 0.11 0.00 0.00 57.88 57.93 2jti h LEU 207 Cb 0.55 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.74 2jti h LEU 207 CO -0.53 0.02 -2.16 0.59 -4.11 0.00 0.00 178.44 172.25 2jti n ASN 208 N -2.65 0.09 -4.33 0.17 4.13 0.10 -4.92 115.26 107.85 2jti n ASN 208 Ca 0.02 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.99 2jti n ASN 208 Cb 0.52 1.51 0.19 0.00 -1.54 0.00 0.00 39.78 40.46 2jti n ASN 208 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jti s GLU 209 N -3.01 -0.03 -0.38 3.52 0.41 -0.41 -5.02 118.70 113.77 2jti s GLU 209 Ca -0.09 0.15 -0.01 0.00 -0.41 0.00 0.00 54.97 54.62 2jti s GLU 209 Cb 0.10 -1.72 0.11 0.00 -1.78 0.00 0.00 34.13 30.84 2jti s GLU 209 CO 0.86 -2.96 0.15 0.34 -0.49 0.00 0.00 175.26 173.15 2jti s ASP 210 N -3.88 5.09 -0.03 -0.19 2.15 -1.26 -4.97 116.67 113.59 2jti s ASP 210 Ca 0.68 -2.05 -0.06 0.00 0.43 0.00 0.00 52.55 51.55 2jti s ASP 210 Cb -0.13 -1.76 -0.04 0.00 -0.30 0.00 0.00 42.92 40.68 2jti s ASP 210 CO 0.56 -0.49 0.22 0.26 -0.17 0.00 0.00 175.17 175.55 2jti s TRP 211 N 1.07 3.58 -0.02 -5.34 0.52 -1.26 -4.06 118.94 113.43 2jti s TRP 211 Ca 0.09 0.52 0.04 0.00 0.02 0.00 0.00 56.10 56.77 2jti s TRP 211 Cb -0.22 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 2jti s TRP 211 CO -0.05 0.65 -0.13 0.21 0.02 0.00 0.00 176.95 177.65 2jti s LYS 212 N -1.59 1.14 0.26 4.98 2.20 -0.69 -4.92 119.74 121.11 2jti s LYS 212 Ca 0.24 -0.45 -0.09 0.00 -0.36 0.00 0.00 55.97 55.31 2jti s LYS 212 Cb -0.13 -1.07 -0.07 0.00 -1.51 0.00 0.00 37.83 35.05 2jti s LYS 212 CO 0.14 0.24 0.58 -1.17 -0.36 0.00 0.00 175.35 174.77 2jti s LEU 213 N -0.14 4.12 0.15 5.43 2.96 -1.26 0.48 118.68 130.42 2jti s LEU 213 Ca 0.02 0.93 -0.25 0.00 -0.22 0.00 0.00 54.13 54.61 2jti s LEU 213 Cb -0.07 -3.71 0.06 0.00 0.50 0.00 0.00 46.19 42.97 2jti s LEU 213 CO 0.00 -0.12 0.96 -0.70 -1.32 0.00 0.00 176.35 175.17 2jti s GLU 214 N -2.99 1.19 -0.09 1.98 2.12 0.50 -4.87 118.70 116.53 2jti s GLU 214 Ca 0.48 -0.65 -0.02 0.00 0.36 0.00 0.00 54.97 55.14 2jti s GLU 214 Cb -0.11 0.41 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 2jti s GLU 214 CO 0.23 -0.55 -0.01 0.15 -0.54 0.00 0.00 175.26 174.54 2jti s LYS 215 N -3.29 3.04 0.00 4.30 1.02 -1.25 0.16 119.74 123.71 2jti s LYS 215 Ca 0.12 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2jti s LYS 215 Cb -0.01 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2jti s LYS 215 CO 0.02 0.64 0.00 0.27 -0.92 0.00 0.00 175.35 175.36 2jti n ASN 216 N 2.33 0.00 0.10 2.83 0.23 0.76 -4.95 115.26 116.55 2jti n ASN 216 Ca -0.18 -0.76 0.12 0.00 -0.53 0.00 0.00 54.58 53.22 2jti n ASN 216 Cb 0.53 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.28 2jti n ASN 216 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2jti h ASP 217 N 0.00 0.00 0.66 0.53 5.19 -1.89 -3.23 116.42 117.69 2jti h ASP 217 Ca 0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2jti h ASP 217 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2jti h ASP 217 CO 0.00 0.03 -0.12 0.00 -3.12 0.00 0.00 179.24 176.04 2jti n ALA 218 N -2.09 2.68 -0.55 3.45 0.00 -1.26 -4.91 120.51 117.84 2jti n ALA 218 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2jti n ALA 218 Cb 0.52 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2jti n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jti n ASN 219 N -1.31 -1.65 -4.96 0.00 5.15 -1.22 -5.05 115.26 106.22 2jti n ASN 219 Ca 0.10 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.86 2jti n ASN 219 Cb 0.30 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 2jti n ASN 219 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2jti s ASN 220 N -2.22 5.94 0.06 1.20 0.01 -1.26 -4.78 114.94 113.89 2jti s ASN 220 Ca 0.00 0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.34 2jti s ASN 220 Cb 0.00 -1.52 -0.04 0.00 0.41 0.00 0.00 41.25 40.10 2jti s ASN 220 CO 0.00 -0.56 0.08 -1.61 -1.51 0.00 0.00 177.10 173.50 2jti s GLU 221 N -4.40 2.91 0.16 -0.60 2.02 -1.26 -0.17 118.70 117.36 2jti s GLU 221 Ca 0.46 -0.65 -0.14 0.00 0.02 0.00 0.00 54.97 54.65 2jti s GLU 221 Cb -0.10 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.40 2jti s GLU 221 CO 0.35 0.58 0.41 1.14 0.02 0.00 0.00 175.26 177.77 2jti s GLN 222 N -2.26 1.22 -0.24 1.61 -2.07 0.41 -4.78 119.66 113.55 2jti s GLN 222 Ca 0.28 -0.92 -0.16 0.00 -1.82 0.00 0.00 55.36 52.75 2jti s GLN 222 Cb -0.12 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 2jti s GLN 222 CO 0.20 -0.49 0.41 -1.58 -1.32 0.00 0.00 175.29 172.52 2jti s TRP 223 N -3.88 3.30 -0.02 9.60 0.52 -1.17 0.19 118.94 127.48 2jti s TRP 223 Ca 0.10 0.54 0.06 0.00 0.02 0.00 0.00 56.10 56.82 2jti s TRP 223 Cb 0.01 -2.58 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 2jti s TRP 223 CO -0.05 -0.15 -0.21 -0.51 0.02 0.00 0.00 176.95 176.05 2jti s ASP 224 N 1.38 3.46 0.21 2.95 1.01 0.18 -0.50 116.67 125.36 2jti s ASP 224 Ca 0.18 -0.37 0.06 0.00 0.71 0.00 0.00 52.55 53.13 2jti s ASP 224 Cb -0.15 -0.54 -0.04 0.00 1.01 0.00 0.00 42.92 43.20 2jti s ASP 224 CO 0.09 0.32 0.16 -0.94 0.21 0.00 0.00 175.17 175.01 2jti s SER 225 N -0.75 5.46 0.47 0.27 1.04 0.85 -1.70 113.70 119.33 2jti s SER 225 Ca 0.11 -0.22 0.14 0.00 0.48 0.00 0.00 55.95 56.46 2jti s SER 225 Cb -0.10 -1.38 1.11 0.00 0.10 0.00 0.00 66.02 65.75 2jti s SER 225 CO 0.00 0.01 2.07 0.07 0.98 0.00 0.00 173.24 176.37 2jti h LYS 226 N 1.92 0.24 0.00 4.02 5.09 -1.86 -2.47 116.57 123.52 2jti h LYS 226 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.25 2jti h LYS 226 Cb 1.22 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.50 2jti h LYS 226 CO 0.62 0.16 0.00 0.43 -2.09 0.00 0.00 179.45 178.57 2jti n SER 227 N -4.49 0.00 0.00 7.07 7.64 -1.26 -4.85 113.62 117.73 2jti n SER 227 Ca 0.03 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2jti n SER 227 Cb 0.20 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2jti n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jti n GLY 228 N -0.21 0.57 3.95 0.23 0.00 -0.93 -5.09 105.19 103.72 2jti n GLY 228 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2jti n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jti s TYR 229 N -2.29 2.91 0.15 1.61 2.02 -1.24 -4.63 117.35 115.88 2jti s TYR 229 Ca 0.00 0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.95 2jti s TYR 229 Cb 0.00 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 2jti s TYR 229 CO 0.00 -1.06 -0.12 0.00 -1.57 0.00 0.00 175.55 172.81 2jti s MET 230 N -4.95 1.11 -0.02 -0.62 0.23 -1.02 -0.11 119.30 113.93 2jti s MET 230 Ca 0.58 -1.44 0.01 0.00 -1.03 0.00 0.00 55.69 53.80 2jti s MET 230 Cb -0.10 -0.76 0.01 0.00 -1.53 0.00 0.00 34.83 32.44 2jti s MET 230 CO 0.41 0.11 -0.02 -1.64 -2.03 0.00 0.00 175.02 171.85 2jti s MET 231 N -3.55 0.34 0.56 3.16 -1.94 0.34 -4.35 119.30 113.87 2jti s MET 231 Ca 0.17 -0.05 -0.15 0.00 -1.71 0.00 0.00 55.69 53.94 2jti s MET 231 Cb 0.01 -0.40 -0.05 0.00 2.01 0.00 0.00 34.83 36.39 2jti s MET 231 CO 0.02 -0.01 1.02 -0.51 -0.01 0.00 0.00 175.02 175.53 2jti s LEU 232 N 0.40 3.50 0.16 -0.03 1.43 -1.26 -3.03 118.68 119.85 2jti s LEU 232 Ca -0.04 1.63 -0.28 0.00 -1.03 0.00 0.00 54.13 54.41 2jti s LEU 232 Cb -0.07 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 2jti s LEU 232 CO -0.01 -0.86 1.47 -0.81 0.23 0.00 0.00 176.35 176.38 2jti n PRO 233 N -1.97 -0.39 -0.02 1.29 -0.04 -1.22 0.21 135.00 132.85 2jti n PRO 233 Ca 0.07 1.45 0.23 0.00 -0.04 0.00 0.00 63.50 65.21 2jti n PRO 233 Cb 0.54 -2.13 0.72 0.00 -0.04 0.00 0.00 33.50 32.59 2jti n PRO 233 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2jti h THR 234 N 0.00 0.49 0.06 0.52 1.35 -1.15 0.12 112.91 114.29 2jti h THR 234 Ca 0.18 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.95 2jti h THR 234 Cb 0.42 0.62 0.01 0.00 -1.73 0.00 0.00 68.15 67.46 2jti h THR 234 CO -0.91 0.00 -0.42 0.44 -0.25 0.00 0.00 175.52 174.39 2jti h ASP 235 N 0.00 0.19 -0.81 5.36 3.32 0.21 -3.29 116.42 121.40 2jti h ASP 235 Ca 0.28 -0.95 0.13 0.00 0.02 0.00 0.00 57.03 56.51 2jti h ASP 235 Cb 1.30 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.73 2jti h ASP 235 CO -0.00 1.19 0.53 0.22 -1.72 0.00 0.00 179.24 179.46 2jti h TYR 236 N -0.74 0.69 0.00 4.55 3.20 -0.09 -1.16 116.97 123.42 2jti h TYR 236 Ca -0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2jti h TYR 236 Cb 1.28 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.33 2jti h TYR 236 CO 0.23 0.28 0.11 0.66 -1.64 0.00 0.00 178.16 177.80 2jti h SER 237 N 0.60 0.00 0.89 -2.11 4.64 -0.87 0.24 113.55 116.94 2jti h SER 237 Ca 0.40 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.59 2jti h SER 237 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 2jti h SER 237 CO -0.16 0.00 -0.62 -0.07 -0.87 0.00 0.00 176.83 175.11 2jti h LEU 238 N 0.00 0.00 -0.07 5.97 3.38 -1.32 -2.87 115.31 120.40 2jti h LEU 238 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jti h LEU 238 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jti h LEU 238 CO 0.00 0.62 -0.83 2.30 0.09 0.00 0.00 178.44 180.62 2jti n ILE 239 N -3.54 0.00 0.32 1.22 -5.35 0.83 -1.99 119.36 110.85 2jti n ILE 239 Ca -0.00 -0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.58 2jti n ILE 239 Cb 0.68 0.82 0.16 0.00 -1.74 0.00 0.00 39.64 39.56 2jti n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2jti h GLN 240 N 0.17 0.00 -5.16 6.28 4.20 -1.36 -3.44 115.11 115.80 2jti h GLN 240 Ca 0.00 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 2jti h GLN 240 Cb 0.52 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.14 2jti h GLN 240 CO 0.00 0.00 -0.16 0.34 -0.67 0.00 0.00 178.83 178.34 2jti s ASP 241 N -5.33 6.28 0.58 1.46 2.15 -1.10 -4.93 116.67 115.78 2jti s ASP 241 Ca 0.05 0.09 0.30 0.00 0.43 0.00 0.00 52.55 53.43 2jti s ASP 241 Cb 0.09 -2.23 1.43 0.00 -0.30 0.00 0.00 42.92 41.91 2jti s ASP 241 CO 0.70 -0.33 1.83 1.55 -0.17 0.00 0.00 175.17 178.75 2jti h PRO 242 N 8.31 0.00 0.00 4.34 0.13 -1.89 0.13 132.00 143.02 2jti h PRO 242 Ca -0.30 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.53 2jti h PRO 242 Cb 1.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 2jti h PRO 242 CO 0.70 0.00 -1.80 1.63 -0.23 0.00 0.00 178.00 178.30 2jti n LYS 243 N -3.81 0.64 0.00 0.86 5.02 -1.26 -3.60 118.16 116.01 2jti n LYS 243 Ca 0.13 0.26 -0.17 0.00 -2.02 0.00 0.00 58.31 56.51 2jti n LYS 243 Cb 0.86 -1.76 -0.11 0.00 -0.02 0.00 0.00 35.03 33.99 2jti n LYS 243 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2jti h TYR 244 N 0.00 0.52 -0.09 2.13 0.05 -1.48 -3.32 116.97 114.79 2jti h TYR 244 Ca -0.32 -0.29 0.03 0.00 0.05 0.00 0.00 58.73 58.19 2jti h TYR 244 Cb 2.05 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 39.73 2jti h TYR 244 CO 0.00 1.12 0.10 1.25 -1.05 0.00 0.00 178.16 179.58 2jti h LEU 245 N -0.22 0.00 0.00 3.88 7.12 -0.16 0.18 115.31 126.12 2jti h LEU 245 Ca -0.07 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 2jti h LEU 245 Cb 1.27 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.40 2jti h LEU 245 CO 0.11 0.00 -0.75 0.77 -0.13 0.00 0.00 178.44 178.44 2jti h SER 246 N 0.00 0.00 0.40 1.25 4.64 -1.65 -2.72 113.55 115.47 2jti h SER 246 Ca 0.04 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.07 2jti h SER 246 Cb 0.25 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2jti h SER 246 CO -0.00 0.04 -1.31 0.40 -0.87 0.00 0.00 176.83 175.09 2jti h ILE 247 N 0.00 1.38 -0.53 0.95 2.04 -1.18 -2.44 117.51 117.72 2jti h ILE 247 Ca -0.01 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.06 2jti h ILE 247 Cb 1.04 2.91 -0.03 0.00 -0.74 0.00 0.00 36.82 40.00 2jti h ILE 247 CO 0.00 0.83 0.34 0.58 0.00 0.00 0.00 178.15 179.91 2jti h VAL 248 N 0.14 1.14 0.12 1.67 2.07 -1.14 -1.67 116.25 118.59 2jti h VAL 248 Ca -0.19 -0.27 -0.28 0.00 0.82 0.00 0.00 66.70 66.79 2jti h VAL 248 Cb 2.01 0.37 0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2jti h VAL 248 CO 0.23 0.14 -1.22 0.11 0.02 0.00 0.00 177.57 176.85 2jti h LYS 249 N 0.72 0.43 0.08 1.57 1.57 -1.42 -2.66 116.57 116.86 2jti h LYS 249 Ca 0.19 -0.62 0.01 0.00 -1.87 0.00 0.00 60.65 58.35 2jti h LYS 249 Cb -0.07 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2jti h LYS 249 CO -0.04 1.27 -0.29 1.49 -0.57 0.00 0.00 179.45 181.31 2jti h GLU 250 N 0.16 -0.41 -0.83 3.15 4.57 -0.92 -2.87 114.58 117.42 2jti h GLU 250 Ca -0.16 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.23 2jti h GLU 250 Cb 1.91 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 30.54 2jti h GLU 250 CO 0.22 -0.27 0.55 1.88 -1.18 0.00 0.00 179.01 180.21 2jti h TYR 251 N -0.42 0.51 0.00 0.92 0.05 -1.39 0.46 116.97 117.10 2jti h TYR 251 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2jti h TYR 251 Cb 0.42 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2jti h TYR 251 CO -0.36 0.17 0.00 0.00 -1.05 0.00 0.00 178.16 176.91 2jti h ALA 252 N 1.62 1.00 0.03 3.88 0.00 -1.26 -3.16 119.26 121.38 2jti h ALA 252 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.98 2jti h ALA 252 Cb 1.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2jti h ALA 252 CO -0.15 0.00 -2.15 0.09 0.00 0.00 0.00 179.25 177.04 2jti n ASN 253 N -3.08 1.21 -3.61 0.00 4.13 -0.00 -4.82 115.26 109.10 2jti n ASN 253 Ca 0.01 0.12 -0.29 0.00 1.68 0.00 0.00 54.58 56.09 2jti n ASN 253 Cb 0.33 -0.06 -0.15 0.00 -1.54 0.00 0.00 39.78 38.37 2jti n ASN 253 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jti s ASP 254 N -6.26 3.71 0.34 6.41 2.15 -0.30 -5.01 116.67 117.70 2jti s ASP 254 Ca -0.18 -1.48 0.03 0.00 0.43 0.00 0.00 52.55 51.35 2jti s ASP 254 Cb 0.07 -0.56 0.60 0.00 -0.30 0.00 0.00 42.92 42.74 2jti s ASP 254 CO 0.76 -0.42 1.91 -0.61 -0.17 0.00 0.00 175.17 176.64 2jti h GLN 255 N 8.20 0.64 -0.42 4.34 4.15 -1.88 -2.50 115.11 127.65 2jti h GLN 255 Ca -0.16 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.18 2jti h GLN 255 Cb 1.01 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.56 2jti h GLN 255 CO 0.45 0.57 0.23 -0.44 -1.93 0.00 0.00 178.83 177.71 2jti h ASP 256 N 0.63 0.36 0.14 -0.69 3.32 -1.94 1.10 116.42 119.34 2jti h ASP 256 Ca 0.15 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.22 2jti h ASP 256 Cb 0.20 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2jti h ASP 256 CO -0.01 0.26 -0.16 0.50 -1.72 0.00 0.00 179.24 178.12 2jti h LYS 257 N 0.47 -0.32 -0.19 3.56 1.63 -1.89 1.11 116.57 120.94 2jti h LYS 257 Ca 0.17 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.04 2jti h LYS 257 Cb 0.04 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.69 2jti h LYS 257 CO -0.10 -0.21 -0.14 0.35 -3.45 0.00 0.00 179.45 175.90 2jti h PHE 258 N -0.33 -0.35 -0.59 1.91 3.57 -1.02 0.80 116.94 120.92 2jti h PHE 258 Ca 0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.59 2jti h PHE 258 Cb 0.33 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 2jti h PHE 258 CO -0.14 -0.21 0.31 0.74 -2.23 0.00 0.00 178.31 176.78 2jti h PHE 259 N -0.14 0.57 -0.57 0.41 -1.00 0.28 0.50 116.94 116.99 2jti h PHE 259 Ca 0.11 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.81 2jti h PHE 259 Cb 0.31 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 2jti h PHE 259 CO -0.29 0.27 -0.07 0.87 -1.61 0.00 0.00 178.31 177.48 2jti h LYS 260 N 0.59 1.05 -0.21 1.51 6.56 0.24 -2.63 116.57 123.68 2jti h LYS 260 Ca 0.27 -0.37 -0.12 0.00 -1.06 0.00 0.00 60.65 59.36 2jti h LYS 260 Cb 0.18 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 2jti h LYS 260 CO -0.18 1.07 -0.35 -0.44 -2.06 0.00 0.00 179.45 177.49 2jti h ASP 261 N 0.94 0.67 -0.56 0.86 5.19 0.17 -2.76 116.42 120.93 2jti h ASP 261 Ca 0.15 -0.53 0.11 0.00 -0.62 0.00 0.00 57.03 56.14 2jti h ASP 261 Cb 0.64 -0.19 -0.09 0.00 0.18 0.00 0.00 39.33 39.87 2jti h ASP 261 CO 0.04 1.07 0.03 0.15 -3.12 0.00 0.00 179.24 177.41 2jti h PHE 262 N 0.30 0.01 -0.75 4.55 3.57 -0.07 0.35 116.94 124.90 2jti h PHE 262 Ca 0.02 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2jti h PHE 262 Cb 0.94 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 2jti h PHE 262 CO 0.09 -0.12 0.31 0.77 -2.23 0.00 0.00 178.31 177.13 2jti h SER 263 N 0.14 1.04 -0.09 0.41 0.02 -1.42 1.34 113.55 114.99 2jti h SER 263 Ca 0.29 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2jti h SER 263 Cb 0.45 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2jti h SER 263 CO -0.46 0.92 0.05 0.11 -1.14 0.00 0.00 176.83 176.32 2jti h LYS 264 N 1.09 0.12 -0.00 3.45 1.57 -1.09 -1.60 116.57 120.10 2jti h LYS 264 Ca 0.25 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2jti h LYS 264 Cb 0.21 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2jti h LYS 264 CO -0.02 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 2jti h ALA 265 N 1.00 0.00 -0.61 3.86 0.00 0.32 -0.81 119.26 123.02 2jti h ALA 265 Ca 0.03 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2jti h ALA 265 Cb 0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 2jti h ALA 265 CO -0.01 -0.38 0.22 0.35 0.00 0.00 0.00 179.25 179.44 2jti h PHE 266 N -0.23 0.39 -0.40 0.00 3.57 0.18 0.86 116.94 121.31 2jti h PHE 266 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2jti h PHE 266 Cb 0.23 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2jti h PHE 266 CO 0.00 0.09 -0.04 1.49 -2.23 0.00 0.00 178.31 177.63 2jti h GLU 267 N 0.40 0.67 -0.80 1.11 4.81 -1.22 -2.01 114.58 117.54 2jti h GLU 267 Ca 0.31 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2jti h GLU 267 Cb 0.38 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2jti h GLU 267 CO -0.31 0.71 0.53 -0.22 -0.73 0.00 0.00 179.01 178.99 2jti h LYS 268 N 0.62 1.05 -0.96 1.92 3.64 0.86 -1.95 116.57 121.75 2jti h LYS 268 Ca 0.12 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2jti h LYS 268 Cb 0.45 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 2jti h LYS 268 CO 0.02 0.70 0.63 1.25 -2.27 0.00 0.00 179.45 179.78 2jti h LEU 269 N 1.08 1.03 0.00 5.20 6.46 0.12 -2.54 115.31 126.66 2jti h LEU 269 Ca 0.29 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.94 2jti h LEU 269 Cb -0.13 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.56 2jti h LEU 269 CO -0.06 0.70 -0.62 -0.07 -0.62 0.00 0.00 178.44 177.76 2jti h LEU 270 N 1.19 0.00 -0.10 2.25 3.38 -0.72 -3.31 115.31 118.00 2jti h LEU 270 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2jti h LEU 270 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jti h LEU 270 CO -0.13 0.45 -0.62 -0.62 0.09 0.00 0.00 178.44 177.62 2jti n GLU 271 N -3.14 0.14 -1.61 1.13 1.02 -0.80 -4.60 120.64 112.79 2jti n GLU 271 Ca 0.00 -0.10 -0.53 0.00 -0.02 0.00 0.00 57.16 56.51 2jti n GLU 271 Cb 0.73 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 2jti n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jti n ASN 272 N -1.34 1.72 0.00 1.62 3.02 -0.96 -2.53 115.26 116.78 2jti n ASN 272 Ca 0.06 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 2jti n ASN 272 Cb 0.34 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 2jti n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jti n GLY 273 N 2.80 0.69 3.41 7.41 0.00 -1.26 -4.46 105.19 113.77 2jti n GLY 273 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2jti n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jti s ILE 274 N -2.43 3.03 -0.21 -0.61 1.01 -1.05 -4.36 121.20 116.58 2jti s ILE 274 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 2jti s ILE 274 Cb 0.00 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 2jti s ILE 274 CO 0.00 0.55 0.02 -0.89 0.00 0.00 0.00 174.94 174.62 2jti s THR 275 N -0.09 4.10 -0.38 2.92 2.01 0.68 -4.96 115.64 119.92 2jti s THR 275 Ca -0.02 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 2jti s THR 275 Cb -0.14 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.51 2jti s THR 275 CO 0.04 0.42 0.40 -0.36 -0.69 0.00 0.00 174.62 174.42 2jti s PHE 276 N 1.04 3.19 1.00 4.92 0.08 -1.26 -0.72 117.98 126.24 2jti s PHE 276 Ca 0.02 -0.21 -0.15 0.00 0.12 0.00 0.00 56.93 56.72 2jti s PHE 276 Cb -0.14 -2.77 0.05 0.00 -0.57 0.00 0.00 43.02 39.58 2jti s PHE 276 CO 0.02 -0.56 0.24 -0.35 -0.10 0.00 0.00 175.22 174.47 2jti n PRO 277 N 5.48 -0.68 0.00 0.24 -0.04 -1.26 -4.81 135.00 133.93 2jti n PRO 277 Ca -0.08 -0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.32 2jti n PRO 277 Cb 0.48 -1.78 0.59 0.00 -0.04 0.00 0.00 33.50 32.75 2jti n PRO 277 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2jti n LYS 278 N -1.68 0.40 0.00 0.54 4.81 -1.26 -2.58 118.16 118.38 2jti n LYS 278 Ca 0.05 0.06 0.12 0.00 -0.87 0.00 0.00 58.31 57.66 2jti n LYS 278 Cb 0.56 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 34.24 2jti n LYS 278 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2jti n ASP 279 N -1.23 1.29 -4.78 3.14 5.75 -1.26 -4.97 116.55 114.49 2jti n ASP 279 Ca 0.12 -1.03 -0.32 0.00 -0.01 0.00 0.00 54.79 53.54 2jti n ASP 279 Cb 0.16 0.44 0.06 0.00 -1.03 0.00 0.00 41.12 40.74 2jti n ASP 279 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jti s ALA 280 N -2.66 2.45 0.46 2.12 0.00 -1.07 -4.99 121.76 118.06 2jti s ALA 280 Ca 0.17 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.32 2jti s ALA 280 Cb 0.18 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 2jti s ALA 280 CO 0.63 -1.37 1.12 -1.25 0.00 0.00 0.00 175.76 174.88 2jti s PRO 281 N -4.42 3.82 0.67 0.00 0.04 -1.26 -4.99 135.00 128.86 2jti s PRO 281 Ca 0.64 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 63.15 2jti s PRO 281 Cb -0.18 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 2jti s PRO 281 CO 0.47 -0.47 0.86 0.43 0.04 0.00 0.00 177.00 178.33 2jti n SER 282 N -0.54 0.21 -4.67 6.66 7.64 -1.26 -4.88 113.62 116.77 2jti n SER 282 Ca 0.07 0.71 -0.38 0.00 1.01 0.00 0.00 58.87 60.28 2jti n SER 282 Cb 0.49 -1.35 0.05 0.00 -1.01 0.00 0.00 64.21 62.38 2jti n SER 282 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2jti n PRO 283 N -1.25 1.28 -3.45 1.43 -0.04 -1.26 -4.98 135.00 126.73 2jti n PRO 283 Ca 0.13 0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 63.74 2jti n PRO 283 Cb 0.49 -2.34 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 2jti n PRO 283 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jti s PHE 284 N -1.38 3.50 -0.27 0.54 0.08 0.12 -4.74 117.98 115.83 2jti s PHE 284 Ca 0.73 0.88 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2jti s PHE 284 Cb -0.43 -2.25 0.05 0.00 -0.57 0.00 0.00 43.02 39.82 2jti s PHE 284 CO 0.48 0.37 -0.06 0.42 -0.10 0.00 0.00 175.22 176.33 2jti s ILE 285 N -1.64 2.61 0.34 0.64 -1.09 -1.26 -0.78 121.20 120.02 2jti s ILE 285 Ca 0.42 -1.39 -0.09 0.00 -2.23 0.00 0.00 60.65 57.37 2jti s ILE 285 Cb -0.13 -2.46 -0.06 0.00 -1.58 0.00 0.00 42.46 38.23 2jti s ILE 285 CO 0.20 0.02 0.67 -0.36 -1.23 0.00 0.00 174.94 174.24 2jti s PHE 286 N 1.21 3.46 0.20 3.97 0.08 -1.26 -5.08 117.98 120.55 2jti s PHE 286 Ca -0.05 0.91 -0.08 0.00 0.12 0.00 0.00 56.93 57.82 2jti s PHE 286 Cb -0.19 -2.32 -0.07 0.00 -0.57 0.00 0.00 43.02 39.88 2jti s PHE 286 CO -0.04 0.04 0.49 0.15 -0.10 0.00 0.00 175.22 175.76 2jti s LYS 287 N -3.57 3.75 0.81 0.44 -0.14 -1.26 -4.99 119.74 114.77 2jti s LYS 287 Ca 0.49 0.16 -0.09 0.00 -1.36 0.00 0.00 55.97 55.17 2jti s LYS 287 Cb -0.11 -2.72 0.13 0.00 -1.68 0.00 0.00 37.83 33.45 2jti s LYS 287 CO 0.29 0.37 1.13 0.95 -0.76 0.00 0.00 175.35 177.33 2jti s THR 288 N -1.75 2.12 -0.02 2.17 -4.23 -1.26 -4.95 115.64 107.72 2jti s THR 288 Ca 0.45 -0.23 -0.25 0.00 -1.18 0.00 0.00 61.69 60.47 2jti s THR 288 Cb -0.12 -2.89 -0.19 0.00 1.34 0.00 0.00 72.50 70.65 2jti s THR 288 CO 0.22 0.00 1.18 -0.07 -0.54 0.00 0.00 174.62 175.42 2jti h LEU 289 N -0.99 -0.09 -0.46 4.79 4.07 -1.97 -2.45 115.31 118.22 2jti h LEU 289 Ca -0.43 -0.42 0.09 0.00 0.08 0.00 0.00 57.88 57.20 2jti h LEU 289 Cb 1.28 0.02 -0.10 0.00 1.08 0.00 0.00 40.66 42.94 2jti h LEU 289 CO 0.48 0.40 -0.28 -0.08 -1.08 0.00 0.00 178.44 177.88 2jti h GLU 290 N -0.60 -0.17 0.00 1.13 4.81 -1.93 1.62 114.58 119.44 2jti h GLU 290 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jti h GLU 290 Cb 0.50 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2jti h GLU 290 CO 0.02 -0.12 0.00 0.93 -0.73 0.00 0.00 179.01 179.11 2jti h GLU 291 N -0.18 0.00 -0.65 1.92 5.08 -1.92 -2.38 114.58 116.46 2jti h GLU 291 Ca 0.20 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.26 2jti h GLU 291 Cb 0.51 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.58 2jti h GLU 291 CO -0.56 0.00 0.25 1.04 -1.00 0.00 0.00 179.01 178.74 2jti n GLN 292 N -2.61 2.32 0.00 2.33 6.02 0.55 -4.92 117.38 121.07 2jti n GLN 292 Ca -0.02 -3.09 0.00 0.00 -0.01 0.00 0.00 57.00 53.88 2jti n GLN 292 Cb 0.05 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.30 2jti n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jti n GLY 293 N -0.96 3.04 0.00 1.08 0.00 -0.89 -5.01 105.19 102.44 2jti n GLY 293 Ca 0.44 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.60 2jti n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36