#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jm1 n THR 50 N 0.00 2.23 1.20 5.53 -2.24 -1.26 -3.32 114.28 116.41 1jm1 n THR 50 Ca 0.00 -3.72 0.12 0.00 -2.27 0.00 0.00 64.05 58.18 1jm1 n THR 50 Cb 0.00 -0.59 0.38 0.00 -2.10 0.00 0.00 70.33 68.02 1jm1 n THR 50 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jm1 n ASP 51 N -0.76 1.91 -2.42 3.42 8.00 -1.19 -4.58 116.55 120.93 1jm1 n ASP 51 Ca 0.33 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1jm1 n ASP 51 Cb 0.89 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1jm1 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jm1 n GLY 52 N 1.20 0.96 3.78 0.44 0.00 0.61 -4.52 105.19 107.65 1jm1 n GLY 52 Ca 0.17 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 1jm1 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jm1 s LEU 53 N 0.00 4.43 -1.48 0.99 1.43 0.67 -4.52 118.68 120.20 1jm1 s LEU 53 Ca 0.00 1.10 -0.09 0.00 -1.03 0.00 0.00 54.13 54.11 1jm1 s LEU 53 Cb 0.00 -2.83 0.06 0.00 0.03 0.00 0.00 46.19 43.45 1jm1 s LEU 53 CO 0.00 0.16 0.84 0.00 0.23 0.00 0.00 176.35 177.57 1jm1 n ALA 54 N 2.52 -1.55 -0.03 4.21 0.00 -1.26 -1.57 120.51 122.83 1jm1 n ALA 54 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1jm1 n ALA 54 Cb 0.51 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.53 1jm1 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jm1 n GLY 55 N -1.67 0.66 3.80 0.00 0.00 -1.26 -4.93 105.19 101.79 1jm1 n GLY 55 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1jm1 n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jm1 s PHE 56 N -2.25 2.97 0.63 1.61 0.40 -0.61 -4.69 117.98 116.03 1jm1 s PHE 56 Ca 0.00 1.48 -0.14 0.00 -0.60 0.00 0.00 56.93 57.68 1jm1 s PHE 56 Cb 0.00 -2.97 -0.02 0.00 0.51 0.00 0.00 43.02 40.53 1jm1 s PHE 56 CO 0.00 -1.28 1.05 -1.25 0.70 0.00 0.00 175.22 174.45 1jm1 s PRO 57 N -4.55 3.24 -0.38 0.24 0.04 -1.21 -0.28 135.00 132.09 1jm1 s PRO 57 Ca 0.61 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 1jm1 s PRO 57 Cb -0.16 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1jm1 s PRO 57 CO 0.46 -0.86 0.33 0.50 0.04 0.00 0.00 177.00 177.47 1jm1 s ARG 58 N -4.49 3.23 -0.12 4.56 3.52 -1.26 -3.97 118.95 120.42 1jm1 s ARG 58 Ca 0.61 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 55.47 1jm1 s ARG 58 Cb -0.14 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.35 1jm1 s ARG 58 CO 0.44 -0.66 -0.23 -0.47 -0.81 0.00 0.00 175.30 173.57 1jm1 s TYR 59 N 1.86 2.63 -0.22 5.12 5.04 -0.62 -4.90 117.35 126.25 1jm1 s TYR 59 Ca 0.08 -1.19 -0.29 0.00 -2.44 0.00 0.00 57.07 53.23 1jm1 s TYR 59 Cb -0.18 -1.77 -0.01 0.00 0.35 0.00 0.00 41.96 40.36 1jm1 s TYR 59 CO 0.11 -0.51 1.26 0.21 -1.34 0.00 0.00 175.55 175.28 1jm1 s LYS 60 N 0.59 4.11 -0.13 4.97 2.20 -1.26 -0.60 119.74 129.62 1jm1 s LYS 60 Ca -0.13 1.48 -0.17 0.00 -0.36 0.00 0.00 55.97 56.79 1jm1 s LYS 60 Cb -0.17 -3.80 -0.15 0.00 -1.51 0.00 0.00 37.83 32.20 1jm1 s LYS 60 CO 0.03 -0.86 0.41 0.28 -0.36 0.00 0.00 175.35 174.85 1jm1 h VAL 61 N 5.67 1.02 -1.85 4.02 2.07 -1.18 -3.48 116.25 122.51 1jm1 h VAL 61 Ca -0.26 -1.81 0.20 0.00 0.82 0.00 0.00 66.70 65.65 1jm1 h VAL 61 Cb 1.10 1.96 -0.16 0.00 -1.52 0.00 0.00 31.29 32.67 1jm1 h VAL 61 CO 0.99 0.34 0.66 0.00 0.02 0.00 0.00 177.57 179.59 1jm1 s ALA 62 N -2.37 -1.96 0.36 1.67 0.00 -1.19 -5.04 121.76 113.23 1jm1 s ALA 62 Ca -0.13 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.87 1jm1 s ALA 62 Cb -0.01 0.18 -0.10 0.00 0.00 0.00 0.00 23.12 23.19 1jm1 s ALA 62 CO 0.42 -0.69 0.82 1.21 0.00 0.00 0.00 175.76 177.52 1jm1 s ASN 63 N -2.40 6.85 0.41 0.00 3.84 -1.26 -0.68 114.94 121.69 1jm1 s ASN 63 Ca 0.08 1.45 0.16 0.00 0.21 0.00 0.00 52.86 54.76 1jm1 s ASN 63 Cb -0.01 -2.44 1.04 0.00 -0.55 0.00 0.00 41.25 39.29 1jm1 s ASN 63 CO -0.06 -0.26 1.85 -0.29 -2.79 0.00 0.00 177.10 175.56 1jm1 h ILE 64 N 1.97 0.70 0.00 -5.21 6.09 -1.12 -0.70 117.51 119.24 1jm1 h ILE 64 Ca -0.48 -0.16 -0.08 0.00 -1.37 0.00 0.00 64.86 62.77 1jm1 h ILE 64 Cb 1.18 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.66 1jm1 h ILE 64 CO 0.64 0.08 -0.39 1.56 -3.07 0.00 0.00 178.15 176.97 1jm1 h GLN 65 N 0.46 0.00 -0.49 2.19 1.08 -1.93 0.06 115.11 116.47 1jm1 h GLN 65 Ca 0.47 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.60 1jm1 h GLN 65 Cb 1.10 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.51 1jm1 h GLN 65 CO -0.19 0.39 0.02 1.96 -0.95 0.00 0.00 178.83 180.05 1jm1 h GLN 66 N 0.00 0.86 -0.06 1.46 4.20 -1.52 -0.00 115.11 120.05 1jm1 h GLN 66 Ca -0.00 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 1jm1 h GLN 66 Cb 0.79 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 1jm1 h GLN 66 CO 0.05 0.89 -0.00 0.28 -0.67 0.00 0.00 178.83 179.38 1jm1 h VAL 67 N 0.72 1.26 -0.64 -0.54 2.07 -1.22 -2.01 116.25 115.89 1jm1 h VAL 67 Ca 0.14 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 1jm1 h VAL 67 Cb 0.49 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1jm1 h VAL 67 CO 0.02 0.22 0.16 1.56 0.02 0.00 0.00 177.57 179.55 1jm1 h GLN 68 N -0.20 1.01 -0.74 1.57 4.20 -0.99 -1.46 115.11 118.50 1jm1 h GLN 68 Ca 0.02 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 1jm1 h GLN 68 Cb 0.36 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1jm1 h GLN 68 CO 0.00 0.90 0.28 0.37 -0.67 0.00 0.00 178.83 179.72 1jm1 h GLN 69 N 0.97 1.12 -0.45 1.46 5.75 -0.99 0.17 115.11 123.14 1jm1 h GLN 69 Ca 0.21 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1jm1 h GLN 69 Cb 0.34 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 1jm1 h GLN 69 CO 0.00 0.93 0.17 0.37 -2.65 0.00 0.00 178.83 177.65 1jm1 h GLN 70 N 1.08 0.68 -0.54 1.69 4.15 -0.92 -0.45 115.11 120.79 1jm1 h GLN 70 Ca 0.25 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1jm1 h GLN 70 Cb 0.23 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1jm1 h GLN 70 CO -0.02 0.63 0.29 0.82 -1.93 0.00 0.00 178.83 178.62 1jm1 h ILE 71 N 0.59 1.19 -0.48 2.39 2.04 -0.89 -0.31 117.51 122.05 1jm1 h ILE 71 Ca 0.15 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 1jm1 h ILE 71 Cb 0.21 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1jm1 h ILE 71 CO -0.01 0.21 -0.03 0.11 0.00 0.00 0.00 178.15 178.43 1jm1 h LYS 72 N 0.73 0.81 0.14 2.37 1.79 -0.82 -0.43 116.57 121.15 1jm1 h LYS 72 Ca 0.19 -0.23 -0.33 0.00 -2.18 0.00 0.00 60.65 58.10 1jm1 h LYS 72 Cb 0.07 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1jm1 h LYS 72 CO -0.03 0.83 -1.68 0.66 -1.08 0.00 0.00 179.45 178.15 1jm1 h SER 73 N 0.75 0.46 0.00 0.86 4.64 -0.88 -3.40 113.55 115.98 1jm1 h SER 73 Ca 0.14 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1jm1 h SER 73 Cb 0.49 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jm1 h SER 73 CO 0.02 1.60 -0.79 -1.54 -0.87 0.00 0.00 176.83 175.26 1jm1 n SER 74 N -3.49 3.33 0.00 4.97 3.41 -0.14 -5.00 113.62 116.70 1jm1 n SER 74 Ca -0.21 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1jm1 n SER 74 Cb 1.06 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 66.06 1jm1 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jm1 n GLY 75 N 2.02 0.84 3.58 5.00 0.00 -0.17 -5.00 105.19 111.45 1jm1 n GLY 75 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jm1 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jm1 n ALA 77 N 6.12 2.54 -2.45 0.00 0.00 -1.26 -3.86 120.51 121.60 1jm1 n ALA 77 Ca 0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 53.44 51.99 1jm1 n ALA 77 Cb 0.48 -0.97 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 1jm1 n ALA 77 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jm1 s VAL 78 N -1.32 2.36 -0.15 0.00 1.01 -1.26 -1.83 120.40 119.20 1jm1 s VAL 78 Ca 0.42 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1jm1 s VAL 78 Cb 0.23 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.80 1jm1 s VAL 78 CO 0.26 0.58 0.07 -0.47 0.00 0.00 0.00 175.10 175.54 1jm1 s TYR 79 N -0.54 0.38 0.35 5.22 5.04 -0.19 -4.73 117.35 122.89 1jm1 s TYR 79 Ca 0.07 -0.35 -0.16 0.00 -2.44 0.00 0.00 57.07 54.19 1jm1 s TYR 79 Cb -0.11 -0.74 -0.09 0.00 0.35 0.00 0.00 41.96 41.36 1jm1 s TYR 79 CO 0.00 -0.48 0.79 -0.06 -1.34 0.00 0.00 175.55 174.46 1jm1 s PHE 80 N 2.07 3.36 0.36 4.97 0.40 -1.26 -0.35 117.98 127.53 1jm1 s PHE 80 Ca 0.02 1.30 -0.15 0.00 -0.60 0.00 0.00 56.93 57.50 1jm1 s PHE 80 Cb -0.16 -2.61 0.04 0.00 0.51 0.00 0.00 43.02 40.81 1jm1 s PHE 80 CO -0.08 0.03 0.74 -0.59 0.70 0.00 0.00 175.22 176.02 1jm1 s PHE 81 N -2.05 0.18 -0.01 0.36 -0.12 -0.63 -4.92 117.98 110.78 1jm1 s PHE 81 Ca 0.56 -0.77 0.07 0.00 -0.05 0.00 0.00 56.93 56.74 1jm1 s PHE 81 Cb -0.10 0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 1jm1 s PHE 81 CO 0.17 -1.46 -0.23 0.00 -0.05 0.00 0.00 175.22 173.64 1jm1 s ALA 82 N -2.67 1.96 -0.25 1.99 0.00 -1.26 -0.40 121.76 121.13 1jm1 s ALA 82 Ca 0.16 -1.04 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 1jm1 s ALA 82 Cb -0.05 -0.48 0.14 0.00 0.00 0.00 0.00 23.12 22.74 1jm1 s ALA 82 CO 0.12 0.48 1.14 -0.47 0.00 0.00 0.00 175.76 177.02 1jm1 s TYR 83 N -0.59 -0.31 -0.87 0.00 5.04 -0.50 -4.72 117.35 115.40 1jm1 s TYR 83 Ca 0.09 0.69 0.23 0.00 -2.44 0.00 0.00 57.07 55.64 1jm1 s TYR 83 Cb -0.09 0.43 0.93 0.00 0.35 0.00 0.00 41.96 43.58 1jm1 s TYR 83 CO -0.00 -0.20 1.72 -0.35 -1.34 0.00 0.00 175.55 175.38 1jm1 n PRO 84 N 1.48 0.08 -4.24 4.97 -0.04 -1.26 -4.77 135.00 131.22 1jm1 n PRO 84 Ca -0.10 0.18 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 1jm1 n PRO 84 Cb 0.57 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 1jm1 n PRO 84 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jm1 s LEU 85 N -3.51 3.29 0.52 1.53 1.43 -1.26 -4.99 118.68 115.69 1jm1 s LEU 85 Ca 0.10 -0.48 0.22 0.00 -1.03 0.00 0.00 54.13 52.93 1jm1 s LEU 85 Cb 0.13 -1.89 1.41 0.00 0.03 0.00 0.00 46.19 45.87 1jm1 s LEU 85 CO 0.44 0.05 2.13 0.00 0.23 0.00 0.00 176.35 179.19 1jm1 h THR 86 N 2.18 0.81 -0.49 5.49 1.03 -1.94 -2.51 112.91 117.48 1jm1 h THR 86 Ca -0.46 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 65.69 1jm1 h THR 86 Cb 1.22 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 1jm1 h THR 86 CO 0.59 0.07 0.00 -0.90 -0.01 0.00 0.00 175.52 175.26 1jm1 n ASP 87 N -4.11 4.18 -4.06 0.00 5.68 -1.26 -4.78 116.55 112.19 1jm1 n ASP 87 Ca -0.03 -2.49 -0.35 0.00 -0.50 0.00 0.00 54.79 51.43 1jm1 n ASP 87 Cb 0.15 -0.56 -0.11 0.00 -1.14 0.00 0.00 41.12 39.46 1jm1 n ASP 87 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1jm1 s GLU 88 N -2.00 2.28 0.36 0.11 2.02 -0.95 -4.32 118.70 116.20 1jm1 s GLU 88 Ca 0.41 -2.39 -0.26 0.00 0.02 0.00 0.00 54.97 52.75 1jm1 s GLU 88 Cb 0.28 -3.59 -0.09 0.00 0.10 0.00 0.00 34.13 30.84 1jm1 s GLU 88 CO 0.17 -1.13 1.08 -1.25 0.02 0.00 0.00 175.26 174.15 1jm1 s PRO 89 N 0.15 4.29 0.19 0.39 0.04 -1.26 -1.40 135.00 137.39 1jm1 s PRO 89 Ca 0.15 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1jm1 s PRO 89 Cb -0.22 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1jm1 s PRO 89 CO -0.03 -0.06 0.12 0.00 0.04 0.00 0.00 177.00 177.07 1jm1 s PHE 91 N -4.14 0.03 0.34 0.00 -0.12 -0.24 -1.60 117.98 112.25 1jm1 s PHE 91 Ca 0.36 -0.06 -0.20 0.00 -0.05 0.00 0.00 56.93 56.98 1jm1 s PHE 91 Cb 0.07 -0.04 -0.10 0.00 -0.63 0.00 0.00 43.02 42.32 1jm1 s PHE 91 CO 0.10 -0.11 0.84 -0.51 -0.05 0.00 0.00 175.22 175.49 1jm1 s LEU 92 N -0.57 4.12 -0.05 -1.99 1.43 0.52 -1.28 118.68 120.86 1jm1 s LEU 92 Ca -0.06 1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1jm1 s LEU 92 Cb -0.04 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 42.07 1jm1 s LEU 92 CO 0.00 -0.19 0.11 0.54 0.23 0.00 0.00 176.35 177.05 1jm1 s VAL 93 N -1.90 -0.03 -0.59 -1.59 0.11 0.55 -1.02 120.40 115.93 1jm1 s VAL 93 Ca 0.54 0.13 -0.22 0.00 -2.93 0.00 0.00 61.98 59.50 1jm1 s VAL 93 Cb -0.12 -0.19 0.06 0.00 -1.53 0.00 0.00 36.38 34.60 1jm1 s VAL 93 CO 0.18 0.05 0.88 -0.62 -3.33 0.00 0.00 175.10 172.25 1jm1 s ASP 94 N 0.80 6.24 0.47 3.54 -1.08 -0.76 -1.26 116.67 124.62 1jm1 s ASP 94 Ca -0.06 -0.78 0.26 0.00 -0.52 0.00 0.00 52.55 51.44 1jm1 s ASP 94 Cb -0.08 -2.39 1.14 0.00 -1.46 0.00 0.00 42.92 40.12 1jm1 s ASP 94 CO -0.04 -1.24 1.92 -0.07 0.52 0.00 0.00 175.17 176.26 1jm1 h LEU 95 N 10.82 0.00 -0.04 -1.34 3.38 -1.56 -1.12 115.31 125.44 1jm1 h LEU 95 Ca -0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1jm1 h LEU 95 Cb 1.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.84 1jm1 h LEU 95 CO 1.10 0.18 -0.55 -0.61 0.09 0.00 0.00 178.44 178.66 1jm1 h GLN 96 N 0.00 0.45 -0.80 1.13 4.15 -1.74 -1.18 115.11 117.12 1jm1 h GLN 96 Ca -0.00 -0.43 0.01 0.00 0.77 0.00 0.00 58.65 59.01 1jm1 h GLN 96 Cb 0.59 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 1jm1 h GLN 96 CO 0.02 1.07 0.53 0.00 -1.93 0.00 0.00 178.83 178.53 1jm1 h ALA 97 N 0.39 1.45 0.15 3.38 0.00 -1.80 0.74 119.26 123.57 1jm1 h ALA 97 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jm1 h ALA 97 Cb 1.23 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jm1 h ALA 97 CO 0.11 0.50 -0.07 1.25 0.00 0.00 0.00 179.25 181.04 1jm1 h LEU 98 N 1.06 -0.17 0.00 0.00 5.85 -1.19 -3.37 115.31 117.49 1jm1 h LEU 98 Ca 0.30 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jm1 h LEU 98 Cb -0.08 0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1jm1 h LEU 98 CO -0.07 0.23 -1.81 0.35 -0.34 0.00 0.00 178.44 176.80 1jm1 n THR 99 N -5.00 0.08 -0.88 1.05 -2.24 -0.45 -4.45 114.28 102.39 1jm1 n THR 99 Ca -0.09 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1jm1 n THR 99 Cb 0.24 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1jm1 n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jm1 n GLY 100 N 1.27 1.11 3.75 3.38 0.00 0.25 -4.87 105.19 110.08 1jm1 n GLY 100 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1jm1 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jm1 s GLN 101 N -0.05 3.08 -1.33 1.61 -0.21 -1.26 -5.01 119.66 116.49 1jm1 s GLN 101 Ca 0.00 -0.39 -0.17 0.00 0.02 0.00 0.00 55.36 54.82 1jm1 s GLN 101 Cb 0.00 -2.88 0.07 0.00 1.00 0.00 0.00 33.01 31.20 1jm1 s GLN 101 CO 0.00 0.70 1.83 0.94 -2.12 0.00 0.00 175.29 176.64 1jm1 n GLN 102 N 1.77 3.14 -3.04 2.91 7.27 -1.26 -3.71 117.38 124.46 1jm1 n GLN 102 Ca -0.17 -3.16 -0.42 0.00 0.07 0.00 0.00 57.00 53.31 1jm1 n GLN 102 Cb 0.54 -3.43 -0.06 0.00 2.41 0.00 0.00 30.24 29.70 1jm1 n GLN 102 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1jm1 s ILE 103 N 3.85 4.78 -0.01 1.69 -1.09 -1.26 -4.89 121.20 124.29 1jm1 s ILE 103 Ca 0.52 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1jm1 s ILE 103 Cb 0.06 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1jm1 s ILE 103 CO 0.04 -0.49 0.21 0.35 -1.23 0.00 0.00 174.94 173.82 1jm1 n THR 104 N 5.81 0.00 -3.64 2.92 -2.24 -1.26 -4.30 114.28 111.57 1jm1 n THR 104 Ca 0.01 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 1jm1 n THR 104 Cb 0.48 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1jm1 n THR 104 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1jm1 s GLU 105 N -0.59 0.78 0.14 -0.78 2.12 -1.26 -0.87 118.70 118.23 1jm1 s GLU 105 Ca 0.00 1.05 0.05 0.00 0.36 0.00 0.00 54.97 56.43 1jm1 s GLU 105 Cb 0.00 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 1jm1 s GLU 105 CO 0.00 -0.12 -0.11 0.96 -0.54 0.00 0.00 175.26 175.46 1jm1 s ILE 106 N 0.79 1.17 0.61 -3.70 -4.36 -0.38 -4.98 121.20 110.34 1jm1 s ILE 106 Ca -0.03 -1.95 -0.14 0.00 -0.26 0.00 0.00 60.65 58.27 1jm1 s ILE 106 Cb -0.05 -1.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.90 1jm1 s ILE 106 CO -0.06 -0.67 1.04 -2.84 0.24 0.00 0.00 174.94 172.65 1jm1 s PRO 107 N -3.44 3.39 -0.57 0.37 0.02 -1.26 -0.27 135.00 133.24 1jm1 s PRO 107 Ca 0.14 1.03 -0.18 0.00 0.02 0.00 0.00 61.00 62.00 1jm1 s PRO 107 Cb 0.01 -2.05 0.10 0.00 0.02 0.00 0.00 34.50 32.58 1jm1 s PRO 107 CO 0.01 -0.74 0.66 1.21 -0.33 0.00 0.00 177.00 177.81 1jm1 s ASN 108 N -3.28 6.19 0.17 2.53 2.47 -0.50 -4.28 114.94 118.24 1jm1 s ASN 108 Ca 0.60 -1.41 0.19 0.00 0.42 0.00 0.00 52.86 52.67 1jm1 s ASN 108 Cb -0.14 -2.28 0.84 0.00 -1.45 0.00 0.00 41.25 38.22 1jm1 s ASN 108 CO 0.43 -1.04 1.60 -0.81 -3.72 0.00 0.00 177.10 173.55 1jm1 n PRO 109 N 6.14 0.12 -0.21 0.43 -0.04 -1.26 -2.20 135.00 137.97 1jm1 n PRO 109 Ca -0.10 0.39 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 1jm1 n PRO 109 Cb 0.43 -1.75 0.24 0.00 -0.04 0.00 0.00 33.50 32.37 1jm1 n PRO 109 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jm1 n TYR 110 N -1.98 0.55 -1.63 0.54 4.02 -1.26 -4.95 117.16 112.44 1jm1 n TYR 110 Ca 0.02 -0.28 -0.48 0.00 -0.01 0.00 0.00 57.90 57.16 1jm1 n TYR 110 Cb 0.18 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.46 1jm1 n TYR 110 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1jm1 n TYR 111 N 0.83 1.91 -0.89 -0.72 9.36 -0.94 -0.67 117.16 126.04 1jm1 n TYR 111 Ca 0.16 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.84 1jm1 n TYR 111 Cb 0.40 -2.43 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 1jm1 n TYR 111 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jm1 n GLY 112 N 2.78 0.73 0.11 2.98 0.00 0.70 -4.86 105.19 107.62 1jm1 n GLY 112 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1jm1 n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jm1 h LYS 113 N 2.16 0.00 -4.95 1.61 1.79 -1.13 -3.47 116.57 112.58 1jm1 h LYS 113 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 1jm1 h LYS 113 Cb 0.02 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.53 1jm1 h LYS 113 CO 0.00 0.00 -0.68 0.71 -1.08 0.00 0.00 179.45 178.40 1jm1 s TYR 114 N -3.27 1.31 0.52 -1.35 1.51 -1.26 -5.10 117.35 109.71 1jm1 s TYR 114 Ca 0.03 -0.91 -0.13 0.00 -1.01 0.00 0.00 57.07 55.06 1jm1 s TYR 114 Cb 0.10 -0.73 -0.06 0.00 -0.11 0.00 0.00 41.96 41.17 1jm1 s TYR 114 CO 0.75 -0.07 0.95 0.00 -1.11 0.00 0.00 175.55 176.06 1jm1 s ALA 115 N -3.49 3.15 0.00 3.71 0.00 -1.26 -3.95 121.76 119.93 1jm1 s ALA 115 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1jm1 s ALA 115 Cb 0.05 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1jm1 s ALA 115 CO 0.04 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1jm1 n GLY 116 N -1.92 -1.28 0.47 0.00 0.00 -1.26 -3.70 105.19 97.50 1jm1 n GLY 116 Ca 0.05 -1.20 0.33 0.00 0.00 0.00 0.00 46.02 45.20 1jm1 n GLY 116 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jm1 h PRO 117 N 0.00 0.17 -0.02 1.61 0.11 -1.98 0.15 132.00 132.04 1jm1 h PRO 117 Ca 0.00 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.90 1jm1 h PRO 117 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 1jm1 h PRO 117 CO 0.00 0.11 -0.85 -0.07 -0.21 0.00 0.00 178.00 176.98 1jm1 h LEU 118 N 0.17 0.41 -0.17 2.35 3.38 -1.92 -2.07 115.31 117.46 1jm1 h LEU 118 Ca 0.70 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1jm1 h LEU 118 Cb 2.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.85 1jm1 h LEU 118 CO -0.27 1.09 0.00 0.61 0.09 0.00 0.00 178.44 179.95 1jm1 n GLY 119 N 0.80 -1.29 0.25 0.83 0.00 0.02 -3.13 105.19 102.68 1jm1 n GLY 119 Ca -0.05 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1jm1 n GLY 119 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jm1 n GLN 120 N -1.79 0.76 -2.07 1.61 7.27 -0.79 -0.22 117.38 122.16 1jm1 n GLN 120 Ca 0.04 -0.51 -0.42 0.00 0.07 0.00 0.00 57.00 56.18 1jm1 n GLN 120 Cb 0.26 -1.49 -0.03 0.00 2.41 0.00 0.00 30.24 31.39 1jm1 n GLN 120 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1jm1 s ILE 121 N -2.60 3.48 -0.06 1.69 1.01 -1.18 -4.89 121.20 118.65 1jm1 s ILE 121 Ca 0.20 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1jm1 s ILE 121 Cb 0.18 -3.51 -0.26 0.00 0.01 0.00 0.00 42.46 38.89 1jm1 s ILE 121 CO 0.58 -0.03 0.59 1.56 0.00 0.00 0.00 174.94 177.64 1jm1 h GLN 122 N 8.55 0.18 -3.94 2.79 4.20 -1.90 -3.40 115.11 121.59 1jm1 h GLN 122 Ca -0.39 -0.31 -0.13 0.00 0.06 0.00 0.00 58.65 57.88 1jm1 h GLN 122 Cb 1.18 0.11 -0.17 0.00 0.30 0.00 0.00 27.48 28.91 1jm1 h GLN 122 CO 0.93 0.96 -0.57 0.95 -0.67 0.00 0.00 178.83 180.43 1jm1 s THR 123 N -2.59 0.15 -0.25 -0.54 -4.23 -1.26 -1.41 115.64 105.52 1jm1 s THR 123 Ca -0.13 -1.27 -0.06 0.00 -1.18 0.00 0.00 61.69 59.05 1jm1 s THR 123 Cb 0.07 -1.02 -0.01 0.00 1.34 0.00 0.00 72.50 72.88 1jm1 s THR 123 CO 0.81 -0.70 0.02 -0.63 -0.54 0.00 0.00 174.62 173.58 1jm1 s ILE 124 N -2.92 3.83 0.07 2.99 -1.09 0.63 -4.78 121.20 119.93 1jm1 s ILE 124 Ca -0.02 -0.44 -0.22 0.00 -2.23 0.00 0.00 60.65 57.74 1jm1 s ILE 124 Cb 0.01 -2.82 -0.06 0.00 -1.58 0.00 0.00 42.46 38.00 1jm1 s ILE 124 CO -0.06 0.31 0.65 -0.54 -1.23 0.00 0.00 174.94 174.07 1jm1 s LYS 125 N 1.53 4.36 0.57 2.79 1.02 -1.26 -1.25 119.74 127.50 1jm1 s LYS 125 Ca 0.05 0.88 -0.19 0.00 0.02 0.00 0.00 55.97 56.73 1jm1 s LYS 125 Cb -0.15 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 1jm1 s LYS 125 CO 0.00 0.51 1.19 0.20 -0.92 0.00 0.00 175.35 176.33 1jm1 s GLY 126 N -0.74 2.72 0.39 -3.33 0.00 -0.05 -4.91 107.32 101.41 1jm1 s GLY 126 Ca 0.32 0.96 0.08 0.00 0.00 0.00 0.00 44.72 46.08 1jm1 s GLY 126 CO 0.21 1.35 0.11 -1.34 0.00 0.00 0.00 173.10 173.43 1jm1 s VAL 127 N -1.64 2.36 0.00 1.40 -7.23 -0.22 -4.39 120.40 110.68 1jm1 s VAL 127 Ca 0.76 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1jm1 s VAL 127 Cb -0.29 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.70 1jm1 s VAL 127 CO 0.31 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 1jm1 n GLY 128 N -1.13 -0.40 0.27 2.32 0.00 -1.26 -2.51 105.19 102.49 1jm1 n GLY 128 Ca -0.02 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.31 1jm1 n GLY 128 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jm1 h PRO 129 N 0.00 0.00 0.00 1.61 0.11 -1.99 -0.77 132.00 130.96 1jm1 h PRO 129 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1jm1 h PRO 129 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1jm1 h PRO 129 CO 0.00 0.08 -0.75 0.09 -0.21 0.00 0.00 178.00 177.21 1jm1 n ASN 130 N -3.67 0.65 -0.58 -2.05 3.02 -1.26 -4.98 115.26 106.38 1jm1 n ASN 130 Ca -0.02 -0.38 -0.07 0.00 -0.03 0.00 0.00 54.58 54.07 1jm1 n ASN 130 Cb 0.19 0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.89 1jm1 n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jm1 n GLY 131 N 1.46 0.86 0.02 7.41 0.00 -0.30 -4.93 105.19 109.72 1jm1 n GLY 131 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1jm1 n GLY 131 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jm1 n THR 132 N -2.90 0.73 -3.65 2.61 -2.24 -1.17 -3.49 114.28 104.18 1jm1 n THR 132 Ca -0.07 -0.87 -0.36 0.00 -2.27 0.00 0.00 64.05 60.48 1jm1 n THR 132 Cb 0.27 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 69.05 1jm1 n THR 132 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jm1 s ILE 133 N -0.74 5.36 0.36 2.28 1.01 -1.04 -1.43 121.20 127.00 1jm1 s ILE 133 Ca 0.01 0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.98 1jm1 s ILE 133 Cb 0.00 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1jm1 s ILE 133 CO 0.01 0.38 0.07 -0.36 0.00 0.00 0.00 174.94 175.04 1jm1 s PHE 134 N 0.74 1.91 -0.01 3.97 0.40 -0.39 -1.06 117.98 123.55 1jm1 s PHE 134 Ca 0.10 -1.05 -0.17 0.00 -0.60 0.00 0.00 56.93 55.21 1jm1 s PHE 134 Cb -0.13 -1.27 0.03 0.00 0.51 0.00 0.00 43.02 42.16 1jm1 s PHE 134 CO 0.02 -0.06 0.36 0.00 0.70 0.00 0.00 175.22 176.24 1jm1 s ALA 135 N -3.25 -0.91 0.05 5.36 0.00 -1.26 -0.33 121.76 121.43 1jm1 s ALA 135 Ca 0.31 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 1jm1 s ALA 135 Cb 0.07 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1jm1 s ALA 135 CO 0.15 -0.30 -0.04 -0.06 0.00 0.00 0.00 175.76 175.51 1jm1 s PHE 136 N -1.48 0.55 0.51 0.00 0.40 -0.40 -1.09 117.98 116.45 1jm1 s PHE 136 Ca -0.12 -0.94 -0.23 0.00 -0.60 0.00 0.00 56.93 55.04 1jm1 s PHE 136 Cb -0.04 -0.38 -0.06 0.00 0.51 0.00 0.00 43.02 43.05 1jm1 s PHE 136 CO 0.04 -0.30 1.37 0.45 0.70 0.00 0.00 175.22 177.48 1jm1 s SER 137 N -2.67 5.53 -0.11 1.36 0.15 -0.10 -1.08 113.70 116.78 1jm1 s SER 137 Ca 0.04 2.79 0.17 0.00 0.70 0.00 0.00 55.95 59.65 1jm1 s SER 137 Cb 0.04 -2.64 0.69 0.00 -1.71 0.00 0.00 66.02 62.40 1jm1 s SER 137 CO -0.07 -1.40 1.58 -0.67 1.20 0.00 0.00 173.24 173.88 1jm1 n ASP 138 N -0.71 4.55 -4.26 5.45 2.03 -0.04 -4.77 116.55 118.80 1jm1 n ASP 138 Ca 0.08 -2.43 -0.35 0.00 0.52 0.00 0.00 54.79 52.62 1jm1 n ASP 138 Cb 0.44 -0.57 -0.14 0.00 -0.72 0.00 0.00 41.12 40.13 1jm1 n ASP 138 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1jm1 s VAL 139 N -1.85 3.11 0.30 5.18 1.01 -1.26 -0.95 120.40 125.94 1jm1 s VAL 139 Ca 0.48 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1jm1 s VAL 139 Cb 0.31 -2.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.14 1jm1 s VAL 139 CO 0.23 0.40 1.60 0.00 0.00 0.00 0.00 175.10 177.33 1jm1 n VAL 141 N 2.04 0.31 0.00 0.00 0.24 -1.26 -1.49 118.33 118.17 1jm1 n VAL 141 Ca 0.08 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1jm1 n VAL 141 Cb 0.37 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1jm1 n VAL 141 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1jm1 n HIS 142 N 0.44 0.00 -2.13 6.34 -0.00 -1.26 -4.50 115.22 114.11 1jm1 n HIS 142 Ca 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.90 1jm1 n HIS 142 Cb 0.33 -0.44 0.03 0.00 -0.00 0.00 0.00 29.99 29.92 1jm1 n HIS 142 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1jm1 n LEU 143 N -1.81 0.79 -0.03 0.27 7.94 -1.26 -4.97 117.00 117.94 1jm1 n LEU 143 Ca 0.00 -1.79 -0.00 0.00 -1.11 0.00 0.00 56.01 53.11 1jm1 n LEU 143 Cb 0.00 -0.07 -0.00 0.00 0.53 0.00 0.00 43.42 43.88 1jm1 n LEU 143 CO 0.00 0.47 -0.00 0.61 -1.11 0.00 0.00 177.39 177.36 1jm1 n GLY 144 N 0.04 0.47 3.75 -3.96 0.00 -0.55 -5.01 105.19 99.93 1jm1 n GLY 144 Ca 0.05 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1jm1 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jm1 s GLN 146 N -3.37 4.67 -0.04 0.00 0.74 -1.26 -0.55 119.66 119.84 1jm1 s GLN 146 Ca 0.77 1.43 -0.22 0.00 0.05 0.00 0.00 55.36 57.39 1jm1 s GLN 146 Cb -0.30 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 1jm1 s GLN 146 CO 0.33 0.16 0.65 -0.51 -0.55 0.00 0.00 175.29 175.37 1jm1 s LEU 147 N 0.19 4.35 -1.43 3.68 1.43 -0.13 -4.90 118.68 121.88 1jm1 s LEU 147 Ca 0.48 1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 54.64 1jm1 s LEU 147 Cb -0.23 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.05 1jm1 s LEU 147 CO 0.29 -0.02 2.39 -0.81 0.23 0.00 0.00 176.35 178.43 1jm1 n PRO 148 N 3.36 3.71 0.19 1.29 -0.04 -1.26 -4.66 135.00 137.60 1jm1 n PRO 148 Ca -0.04 -2.93 0.14 0.00 -0.04 0.00 0.00 63.50 60.63 1jm1 n PRO 148 Cb 0.51 -2.90 0.65 0.00 -0.04 0.00 0.00 33.50 31.72 1jm1 n PRO 148 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jm1 h ALA 149 N 5.31 1.00 0.00 0.55 0.00 -1.93 -1.99 119.26 122.20 1jm1 h ALA 149 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1jm1 h ALA 149 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jm1 h ALA 149 CO 1.70 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 180.82 1jm1 n GLN 150 N -2.50 0.18 -3.06 0.00 0.00 -1.26 -4.54 117.38 106.20 1jm1 n GLN 150 Ca 0.00 0.12 -0.44 0.00 0.00 0.00 0.00 57.00 56.69 1jm1 n GLN 150 Cb 0.16 -1.69 -0.05 0.00 0.00 0.00 0.00 30.24 28.67 1jm1 n GLN 150 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1jm1 s VAL 151 N -3.08 4.72 -0.23 -0.39 1.01 -0.75 -1.27 120.40 120.41 1jm1 s VAL 151 Ca 0.11 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1jm1 s VAL 151 Cb 0.15 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1jm1 s VAL 151 CO 0.61 -1.03 0.65 -0.63 0.00 0.00 0.00 175.10 174.69 1jm1 s ILE 152 N 3.02 4.99 0.30 2.22 -1.09 0.22 -0.34 121.20 130.51 1jm1 s ILE 152 Ca 0.17 1.20 0.10 0.00 -2.23 0.00 0.00 60.65 59.88 1jm1 s ILE 152 Cb -0.19 -3.96 -0.06 0.00 -1.58 0.00 0.00 42.46 36.67 1jm1 s ILE 152 CO 0.11 0.05 -0.13 0.68 -1.23 0.00 0.00 174.94 174.43 1jm1 s VAL 153 N 2.28 2.19 -0.42 2.92 -7.23 -0.16 -0.22 120.40 119.77 1jm1 s VAL 153 Ca 0.28 -2.26 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1jm1 s VAL 153 Cb -0.16 -2.47 0.18 0.00 0.56 0.00 0.00 36.38 34.50 1jm1 s VAL 153 CO 0.09 -0.31 1.14 -1.54 -0.31 0.00 0.00 175.10 174.18 1jm1 n SER 154 N -0.68 2.53 -3.92 4.85 3.41 -1.26 -2.96 113.62 115.59 1jm1 n SER 154 Ca -0.05 -2.13 -0.14 0.00 -0.26 0.00 0.00 58.87 56.29 1jm1 n SER 154 Cb 0.62 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1jm1 n SER 154 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jm1 s SER 155 N -1.17 0.36 0.51 4.04 0.15 -1.26 -5.03 113.70 111.30 1jm1 s SER 155 Ca 0.14 -0.06 0.16 0.00 0.70 0.00 0.00 55.95 56.90 1jm1 s SER 155 Cb 0.09 -0.04 1.24 0.00 -1.71 0.00 0.00 66.02 65.60 1jm1 s SER 155 CO 0.07 0.04 2.13 -0.33 1.20 0.00 0.00 173.24 176.35 1jm1 h GLU 156 N 6.07 0.00 -0.13 5.44 5.08 -1.97 -2.48 114.58 126.58 1jm1 h GLU 156 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1jm1 h GLU 156 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1jm1 h GLU 156 CO 0.50 0.03 0.00 -1.13 -1.00 0.00 0.00 179.01 177.41 1jm1 n SER 157 N -4.49 1.28 -4.74 1.42 3.41 -1.26 -4.80 113.62 104.45 1jm1 n SER 157 Ca -0.03 -1.64 -0.37 0.00 -0.26 0.00 0.00 58.87 56.57 1jm1 n SER 157 Cb 0.11 -0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 63.92 1jm1 n SER 157 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1jm1 s ASP 158 N -1.57 6.53 0.44 4.04 1.01 -0.94 -5.07 116.67 121.11 1jm1 s ASP 158 Ca 0.31 0.62 -0.25 0.00 0.71 0.00 0.00 52.55 53.94 1jm1 s ASP 158 Cb 0.16 -2.21 -0.09 0.00 1.01 0.00 0.00 42.92 41.79 1jm1 s ASP 158 CO 0.25 0.10 1.27 -2.65 0.21 0.00 0.00 175.17 174.35 1jm1 n PRO 159 N 3.42 1.88 0.00 8.23 -0.02 -1.26 -4.70 135.00 142.54 1jm1 n PRO 159 Ca -0.11 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1jm1 n PRO 159 Cb 0.52 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1jm1 n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jm1 n GLY 160 N 0.82 0.41 3.37 -1.23 0.00 -0.44 -4.90 105.19 103.23 1jm1 n GLY 160 Ca 0.07 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1jm1 n GLY 160 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jm1 s LEU 161 N 0.00 4.83 -0.66 0.99 2.96 0.53 -0.77 118.68 126.55 1jm1 s LEU 161 Ca 0.00 -1.05 -0.27 0.00 -0.22 0.00 0.00 54.13 52.59 1jm1 s LEU 161 Cb 0.00 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1jm1 s LEU 161 CO 0.00 -0.42 1.36 -0.47 -1.32 0.00 0.00 176.35 175.50 1jm1 s TYR 162 N 1.55 2.27 0.15 5.38 6.04 0.29 -0.98 117.35 132.05 1jm1 s TYR 162 Ca 0.02 0.22 -0.14 0.00 0.04 0.00 0.00 57.07 57.22 1jm1 s TYR 162 Cb -0.20 -4.50 0.04 0.00 -1.04 0.00 0.00 41.96 36.26 1jm1 s TYR 162 CO 0.07 -2.00 1.70 0.00 -1.54 0.00 0.00 175.55 173.77 1jm1 h ALA 163 N 10.69 0.66 -0.43 3.97 0.00 -1.84 0.29 119.26 132.61 1jm1 h ALA 163 Ca -0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1jm1 h ALA 163 Cb 1.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1jm1 h ALA 163 CO 1.24 0.28 0.20 -0.22 0.00 0.00 0.00 179.25 180.74 1jm1 h LYS 164 N 0.68 0.60 -0.02 0.00 3.64 -1.83 -2.69 116.57 116.95 1jm1 h LYS 164 Ca 0.17 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1jm1 h LYS 164 Cb 0.21 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1jm1 h LYS 164 CO -0.01 0.48 -0.43 0.41 -2.27 0.00 0.00 179.45 177.63 1jm1 n GLY 165 N -1.23 0.09 3.93 5.01 0.00 -1.02 -4.85 105.19 107.12 1jm1 n GLY 165 Ca 0.03 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1jm1 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jm1 n ALA 166 N 0.07 -1.56 -3.18 4.61 0.00 0.06 -4.73 120.51 115.76 1jm1 n ALA 166 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 1jm1 n ALA 166 Cb 0.46 -3.25 -0.13 0.00 0.00 0.00 0.00 19.45 16.53 1jm1 n ALA 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jm1 s ASP 167 N -3.72 4.56 -0.33 0.00 1.01 -1.03 -0.92 116.67 116.23 1jm1 s ASP 167 Ca 0.42 -0.26 -0.10 0.00 0.71 0.00 0.00 52.55 53.32 1jm1 s ASP 167 Cb -0.22 -1.76 0.01 0.00 1.01 0.00 0.00 42.92 41.96 1jm1 s ASP 167 CO 0.85 0.07 0.16 -0.22 0.21 0.00 0.00 175.17 176.25 1jm1 s LEU 168 N 0.93 4.28 -0.24 1.23 2.96 -0.09 -0.55 118.68 127.20 1jm1 s LEU 168 Ca -0.00 -0.72 -0.07 0.00 -0.22 0.00 0.00 54.13 53.12 1jm1 s LEU 168 Cb -0.15 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1jm1 s LEU 168 CO 0.01 -0.26 0.04 -2.28 -1.32 0.00 0.00 176.35 172.54 1jm1 s HIS 169 N 1.57 3.06 0.03 5.38 5.65 0.05 -0.88 115.29 130.15 1jm1 s HIS 169 Ca 0.03 -0.53 -0.30 0.00 0.25 0.00 0.00 55.06 54.52 1jm1 s HIS 169 Cb -0.18 -2.20 -0.04 0.00 -1.18 0.00 0.00 32.58 28.98 1jm1 s HIS 169 CO 0.06 -0.39 0.96 0.00 -0.65 0.00 0.00 174.74 174.72 1jm1 h PRO 171 N 6.38 0.00 0.01 0.00 0.13 -1.90 -1.88 132.00 134.75 1jm1 h PRO 171 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1jm1 h PRO 171 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jm1 h PRO 171 CO 0.74 0.09 -0.00 0.00 -0.23 0.00 0.00 178.00 178.59 1jm1 n HIS 173 N -4.81 0.00 -0.97 0.00 8.25 -1.26 -5.04 115.22 111.39 1jm1 n HIS 173 Ca -0.09 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1jm1 n HIS 173 Cb 0.30 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1jm1 n HIS 173 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jm1 n GLY 174 N -0.12 0.40 3.76 -1.41 0.00 -0.70 -4.51 105.19 102.60 1jm1 n GLY 174 Ca 0.01 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1jm1 n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jm1 s SER 175 N -2.93 6.40 -0.13 1.61 0.01 -1.26 -3.89 113.70 113.52 1jm1 s SER 175 Ca 0.00 2.94 0.02 0.00 1.31 0.00 0.00 55.95 60.22 1jm1 s SER 175 Cb 0.00 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.60 1jm1 s SER 175 CO 0.00 -0.87 -0.18 -0.63 0.41 0.00 0.00 173.24 171.97 1jm1 s ILE 176 N -0.29 1.72 -0.19 1.44 1.01 -0.22 -0.40 121.20 124.26 1jm1 s ILE 176 Ca 0.60 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 1jm1 s ILE 176 Cb -0.47 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1jm1 s ILE 176 CO 0.51 0.48 0.02 -0.31 0.00 0.00 0.00 174.94 175.64 1jm1 s TYR 177 N 1.00 3.09 -0.81 3.97 1.51 -0.06 -0.87 117.35 125.19 1jm1 s TYR 177 Ca -0.05 -0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 55.54 1jm1 s TYR 177 Cb -0.15 -2.07 0.11 0.00 -0.11 0.00 0.00 41.96 39.74 1jm1 s TYR 177 CO -0.03 -0.11 1.02 0.00 -1.11 0.00 0.00 175.55 175.32 1jm1 s ALA 178 N 0.77 3.33 0.25 3.71 0.00 0.23 -0.91 121.76 129.15 1jm1 s ALA 178 Ca 0.01 -2.47 -0.05 0.00 0.00 0.00 0.00 51.96 49.44 1jm1 s ALA 178 Cb -0.14 -3.91 0.28 0.00 0.00 0.00 0.00 23.12 19.35 1jm1 s ALA 178 CO 0.02 -2.82 1.91 -0.07 0.00 0.00 0.00 175.76 174.80 1jm1 h LEU 179 N 10.51 1.10 0.00 0.00 3.38 -1.33 0.36 115.31 129.32 1jm1 h LEU 179 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jm1 h LEU 179 Cb 1.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1jm1 h LEU 179 CO 1.11 0.83 0.00 2.29 0.09 0.00 0.00 178.44 182.76 1jm1 n LYS 180 N -4.36 0.06 -0.86 1.13 2.85 -1.26 -1.88 118.16 113.84 1jm1 n LYS 180 Ca 0.10 0.11 -0.03 0.00 -1.05 0.00 0.00 58.31 57.45 1jm1 n LYS 180 Cb 0.05 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.20 1jm1 n LYS 180 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1jm1 n ASP 181 N -1.46 4.17 0.00 -5.58 10.43 -0.53 -4.72 116.55 118.86 1jm1 n ASP 181 Ca 0.06 -3.29 0.00 0.00 2.57 0.00 0.00 54.79 54.13 1jm1 n ASP 181 Cb 0.24 -0.68 0.00 0.00 1.84 0.00 0.00 41.12 42.52 1jm1 n ASP 181 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jm1 n GLY 182 N -0.44 0.56 1.58 0.44 0.00 -0.79 -3.89 105.19 102.65 1jm1 n GLY 182 Ca 0.36 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1jm1 n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jm1 n GLY 183 N -2.77 0.64 3.74 -0.02 0.00 0.00 -4.58 105.19 102.20 1jm1 n GLY 183 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jm1 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jm1 s VAL 184 N -2.13 2.42 -0.16 1.61 -7.23 -1.24 -1.12 120.40 112.56 1jm1 s VAL 184 Ca 0.00 0.23 -0.27 0.00 -1.81 0.00 0.00 61.98 60.13 1jm1 s VAL 184 Cb 0.00 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1jm1 s VAL 184 CO 0.00 -0.09 0.89 -0.69 -0.31 0.00 0.00 175.10 174.90 1jm1 s VAL 185 N -1.82 4.84 -0.56 1.32 1.01 -1.26 -0.60 120.40 123.33 1jm1 s VAL 185 Ca 0.76 1.77 0.10 0.00 0.00 0.00 0.00 61.98 64.60 1jm1 s VAL 185 Cb -0.30 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 31.80 1jm1 s VAL 185 CO 0.41 0.01 0.46 1.33 0.00 0.00 0.00 175.10 177.31 1jm1 n VAL 186 N 4.72 0.00 -3.47 2.92 0.24 -0.05 -4.97 118.33 117.72 1jm1 n VAL 186 Ca 0.06 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1jm1 n VAL 186 Cb 0.49 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.85 1jm1 n VAL 186 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jm1 s SER 187 N -1.80 -0.54 0.00 -1.34 0.15 -1.23 -4.96 113.70 103.99 1jm1 s SER 187 Ca 0.05 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1jm1 s SER 187 Cb 0.08 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1jm1 s SER 187 CO 0.37 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1jm1 n GLY 188 N 0.08 -2.37 0.22 9.45 0.00 -1.25 -1.06 105.19 110.25 1jm1 n GLY 188 Ca -0.16 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1jm1 n GLY 188 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jm1 n PRO 189 N -0.53 0.74 -1.70 1.61 -0.04 -1.26 -4.86 135.00 128.96 1jm1 n PRO 189 Ca 0.00 -0.44 -0.43 0.00 -0.04 0.00 0.00 63.50 62.58 1jm1 n PRO 189 Cb 0.00 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 1jm1 n PRO 189 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jm1 n ALA 190 N -0.74 1.74 1.39 0.55 0.00 -1.26 -4.87 120.51 117.32 1jm1 n ALA 190 Ca 0.11 0.39 0.14 0.00 0.00 0.00 0.00 53.44 54.08 1jm1 n ALA 190 Cb 0.35 -2.36 0.43 0.00 0.00 0.00 0.00 19.45 17.88 1jm1 n ALA 190 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jm1 n PRO 191 N 2.09 1.69 -3.61 0.00 -0.04 -1.26 -4.93 135.00 128.94 1jm1 n PRO 191 Ca 0.10 -1.07 -0.09 0.00 -0.04 0.00 0.00 63.50 62.40 1jm1 n PRO 191 Cb 0.34 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 1jm1 n PRO 191 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1jm1 s ARG 192 N -2.06 1.42 0.72 0.54 1.70 -1.26 -5.10 118.95 114.91 1jm1 s ARG 192 Ca 0.35 -0.66 -0.14 0.00 -0.47 0.00 0.00 55.73 54.81 1jm1 s ARG 192 Cb 0.21 0.57 0.03 0.00 -0.57 0.00 0.00 34.95 35.18 1jm1 s ARG 192 CO 0.35 -0.64 1.14 -2.14 -1.08 0.00 0.00 175.30 172.93 1jm1 s PRO 193 N -3.72 2.38 0.07 3.89 0.02 -1.26 -4.72 135.00 131.66 1jm1 s PRO 193 Ca 0.06 1.47 -0.31 0.00 0.02 0.00 0.00 61.00 62.24 1jm1 s PRO 193 Cb -0.03 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 1jm1 s PRO 193 CO -0.04 -1.59 1.59 -1.17 -0.33 0.00 0.00 177.00 175.46 1jm1 s LEU 194 N -5.26 4.36 0.44 -5.54 2.96 -0.28 -4.94 118.68 110.42 1jm1 s LEU 194 Ca 0.68 2.44 -0.26 0.00 -0.22 0.00 0.00 54.13 56.77 1jm1 s LEU 194 Cb -0.22 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.81 1jm1 s LEU 194 CO 0.46 -0.84 1.45 -2.84 -1.32 0.00 0.00 176.35 173.25 1jm1 s PRO 195 N 2.34 3.77 -0.08 0.98 0.02 -1.26 -4.65 135.00 136.11 1jm1 s PRO 195 Ca 0.72 2.46 -0.12 0.00 0.02 0.00 0.00 61.00 64.08 1jm1 s PRO 195 Cb -0.39 -2.72 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 1jm1 s PRO 195 CO 0.31 -0.77 0.29 0.42 -0.33 0.00 0.00 177.00 176.92 1jm1 s ILE 196 N -1.18 5.26 -0.28 2.83 1.01 -1.26 -0.92 121.20 126.65 1jm1 s ILE 196 Ca 0.59 0.56 -0.17 0.00 0.00 0.00 0.00 60.65 61.63 1jm1 s ILE 196 Cb -0.45 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1jm1 s ILE 196 CO 0.58 0.54 0.46 -0.69 0.00 0.00 0.00 174.94 175.83 1jm1 s VAL 197 N -0.62 5.10 0.07 2.92 1.01 -0.25 -1.69 120.40 126.93 1jm1 s VAL 197 Ca 0.19 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 1jm1 s VAL 197 Cb -0.14 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1jm1 s VAL 197 CO 0.08 0.04 1.14 -0.63 0.00 0.00 0.00 175.10 175.74 1jm1 s ILE 198 N 2.24 4.16 0.20 2.22 1.01 0.20 -4.06 121.20 127.17 1jm1 s ILE 198 Ca 0.18 1.59 0.08 0.00 0.00 0.00 0.00 60.65 62.51 1jm1 s ILE 198 Cb -0.16 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1jm1 s ILE 198 CO 0.10 0.15 -0.03 -0.76 0.00 0.00 0.00 174.94 174.40 1jm1 s LEU 199 N 0.84 3.17 -0.05 2.97 1.43 -1.26 -0.90 118.68 124.89 1jm1 s LEU 199 Ca 0.56 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1jm1 s LEU 199 Cb -0.28 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.17 1jm1 s LEU 199 CO 0.30 0.07 -0.02 -0.62 0.23 0.00 0.00 176.35 176.30 1jm1 s ASP 200 N -3.14 0.93 -0.22 2.29 2.15 0.38 -4.91 116.67 114.16 1jm1 s ASP 200 Ca 0.28 -0.09 -0.09 0.00 0.43 0.00 0.00 52.55 53.08 1jm1 s ASP 200 Cb -0.08 -0.38 -0.04 0.00 -0.30 0.00 0.00 42.92 42.11 1jm1 s ASP 200 CO 0.18 -0.09 0.11 -0.47 -0.17 0.00 0.00 175.17 174.73 1jm1 s TYR 201 N 1.15 3.27 -0.54 -5.34 5.04 -1.26 -0.39 117.35 119.27 1jm1 s TYR 201 Ca -0.08 0.09 -0.24 0.00 -2.44 0.00 0.00 57.07 54.41 1jm1 s TYR 201 Cb -0.14 -2.20 0.04 0.00 0.35 0.00 0.00 41.96 40.01 1jm1 s TYR 201 CO -0.01 0.04 0.93 0.34 -1.34 0.00 0.00 175.55 175.51 1jm1 s ASP 202 N 0.89 6.34 0.50 4.32 -1.08 0.03 -4.91 116.67 122.77 1jm1 s ASP 202 Ca 0.06 -0.34 0.33 0.00 -0.52 0.00 0.00 52.55 52.07 1jm1 s ASP 202 Cb -0.13 -2.43 1.45 0.00 -1.46 0.00 0.00 42.92 40.35 1jm1 s ASP 202 CO 0.03 -1.20 1.98 0.28 0.52 0.00 0.00 175.17 176.78 1jm1 h SER 203 N 9.28 0.00 0.50 -0.34 0.02 -1.96 0.93 113.55 121.99 1jm1 h SER 203 Ca -0.26 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.51 1jm1 h SER 203 Cb 1.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1jm1 h SER 203 CO 1.08 0.00 -0.78 0.28 -1.14 0.00 0.00 176.83 176.26 1jm1 h SER 204 N 0.00 0.27 0.00 3.07 0.02 -1.97 -3.38 113.55 111.56 1jm1 h SER 204 Ca 0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1jm1 h SER 204 Cb 0.38 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1jm1 h SER 204 CO 0.00 0.95 -1.17 0.35 -1.14 0.00 0.00 176.83 175.82 1jm1 n THR 205 N -3.73 0.00 -0.73 -2.27 -2.24 -1.00 -5.01 114.28 99.28 1jm1 n THR 205 Ca -0.03 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1jm1 n THR 205 Cb 0.74 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1jm1 n THR 205 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jm1 n GLY 206 N 2.24 0.98 3.75 3.38 0.00 0.29 -4.93 105.19 110.89 1jm1 n GLY 206 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1jm1 n GLY 206 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jm1 s ASP 207 N -3.03 7.63 -0.24 1.61 1.01 -1.24 -0.46 116.67 121.95 1jm1 s ASP 207 Ca 0.00 1.93 -0.09 0.00 0.71 0.00 0.00 52.55 55.10 1jm1 s ASP 207 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1jm1 s ASP 207 CO 0.00 0.13 0.12 -0.63 0.21 0.00 0.00 175.17 175.01 1jm1 s ILE 208 N -1.05 4.92 -0.00 0.77 1.01 0.14 -0.79 121.20 126.21 1jm1 s ILE 208 Ca 0.42 0.03 0.03 0.00 0.00 0.00 0.00 60.65 61.13 1jm1 s ILE 208 Cb -0.26 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1jm1 s ILE 208 CO 0.32 0.34 -0.08 -0.31 0.00 0.00 0.00 174.94 175.21 1jm1 s TYR 209 N 1.28 2.86 -0.09 3.97 1.51 0.47 -0.55 117.35 126.80 1jm1 s TYR 209 Ca 0.06 -0.06 -0.18 0.00 -1.01 0.00 0.00 57.07 55.88 1jm1 s TYR 209 Cb -0.14 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1jm1 s TYR 209 CO 0.05 0.35 0.50 0.00 -1.11 0.00 0.00 175.55 175.34 1jm1 s ALA 210 N -0.96 3.49 0.00 3.71 0.00 0.23 -0.47 121.76 127.76 1jm1 s ALA 210 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1jm1 s ALA 210 Cb -0.11 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1jm1 s ALA 210 CO 0.06 0.07 0.06 1.33 0.00 0.00 0.00 175.76 177.28 1jm1 n VAL 211 N 3.36 0.00 -1.97 0.00 0.24 -0.08 -1.58 118.33 118.30 1jm1 n VAL 211 Ca -0.07 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1jm1 n VAL 211 Cb 0.52 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 1jm1 n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jm1 n GLY 212 N 0.36 -1.21 3.17 7.63 0.00 -1.20 -0.24 105.19 113.70 1jm1 n GLY 212 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 1jm1 n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jm1 s THR 213 N -2.65 0.71 -1.42 2.61 -4.23 -1.26 -0.63 115.64 108.77 1jm1 s THR 213 Ca 0.00 -1.89 0.27 0.00 -1.18 0.00 0.00 61.69 58.89 1jm1 s THR 213 Cb 0.00 -1.62 0.24 0.00 1.34 0.00 0.00 72.50 72.46 1jm1 s THR 213 CO 0.00 -0.83 1.65 -0.46 -0.54 0.00 0.00 174.62 174.43 1jm1 n ASN 214 N 0.05 0.60 -3.46 3.99 6.94 -0.68 -4.87 115.26 117.83 1jm1 n ASN 214 Ca -0.13 -0.46 -0.10 0.00 -0.02 0.00 0.00 54.58 53.87 1jm1 n ASN 214 Cb 0.60 0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 38.04 1jm1 n ASN 214 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jm1 s ALA 215 N -2.69 -1.71 0.50 -2.53 0.00 -1.26 -4.84 121.76 109.22 1jm1 s ALA 215 Ca 0.21 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 1jm1 s ALA 215 Cb 0.19 0.66 -0.06 0.00 0.00 0.00 0.00 23.12 23.90 1jm1 s ALA 215 CO 0.56 -0.73 1.22 -1.25 0.00 0.00 0.00 175.76 175.56 1jm1 s PRO 216 N -3.43 3.50 1.06 0.00 0.04 -1.26 -4.60 135.00 130.32 1jm1 s PRO 216 Ca 0.03 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 1jm1 s PRO 216 Cb -0.01 -2.31 0.22 0.00 0.04 0.00 0.00 34.50 32.44 1jm1 s PRO 216 CO -0.11 -0.80 1.09 0.71 0.04 0.00 0.00 177.00 177.94 1jm1 s TYR 217 N -1.49 1.67 0.19 0.56 4.12 -1.26 -4.82 117.35 116.33 1jm1 s TYR 217 Ca 0.67 0.85 -0.32 0.00 0.02 0.00 0.00 57.07 58.30 1jm1 s TYR 217 Cb -0.32 -3.31 -0.16 0.00 -1.52 0.00 0.00 41.96 36.65 1jm1 s TYR 217 CO 0.38 -3.21 1.03 0.34 0.02 0.00 0.00 175.55 174.11 1jm1 n PHE 218 N -4.37 1.00 -3.06 2.71 7.35 -1.26 -4.77 117.46 115.05 1jm1 n PHE 218 Ca 0.07 0.75 -0.42 0.00 -0.76 0.00 0.00 57.45 57.09 1jm1 n PHE 218 Cb 0.58 -2.22 -0.06 0.00 0.35 0.00 0.00 39.48 38.13 1jm1 n PHE 218 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1jm1 s SER 219 N -0.26 6.42 0.00 -2.13 0.01 -1.26 -4.89 113.70 111.59 1jm1 s SER 219 Ca 0.70 0.04 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1jm1 s SER 219 Cb -0.86 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.02 1jm1 s SER 219 CO 0.55 -0.71 0.00 0.00 0.41 0.00 0.00 173.24 173.49 1jm1 n ALA 220 N 6.26 0.00 -0.00 1.44 0.00 -1.26 -4.89 120.51 122.06 1jm1 n ALA 220 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1jm1 n ALA 220 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 1jm1 n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jm1 n GLY 221 N 3.41 -1.07 3.42 0.00 0.00 -1.26 -4.85 105.19 104.84 1jm1 n GLY 221 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1jm1 n GLY 221 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jm1 s ILE 222 N -2.72 3.68 0.31 -0.61 -1.09 -1.26 -5.09 121.20 114.42 1jm1 s ILE 222 Ca -0.04 -0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 57.67 1jm1 s ILE 222 Cb 0.08 -2.64 -0.10 0.00 -1.58 0.00 0.00 42.46 38.22 1jm1 s ILE 222 CO 0.82 0.46 1.42 -2.84 -1.23 0.00 0.00 174.94 173.57 1jm1 s PRO 223 N 0.83 4.24 -0.25 2.79 0.02 -1.26 -4.70 135.00 136.67 1jm1 s PRO 223 Ca -0.01 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.40 1jm1 s PRO 223 Cb -0.15 -3.05 0.06 0.00 0.02 0.00 0.00 34.50 31.38 1jm1 s PRO 223 CO 0.02 -0.40 -0.10 1.03 -0.33 0.00 0.00 177.00 177.22 1jm1 s ARG 224 N -1.25 2.10 0.00 5.54 0.52 -1.26 -4.98 118.95 119.62 1jm1 s ARG 224 Ca 0.55 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1jm1 s ARG 224 Cb -0.43 -2.80 0.03 0.00 0.52 0.00 0.00 34.95 32.26 1jm1 s ARG 224 CO 0.52 -0.57 0.60 0.25 0.02 0.00 0.00 175.30 176.12 1jm1 n THR 225 N 4.50 0.00 -4.10 0.02 -2.24 -1.26 -4.81 114.28 106.39 1jm1 n THR 225 Ca -0.14 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.07 1jm1 n THR 225 Cb 0.43 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 1jm1 n THR 225 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jm1 s THR 226 N -0.35 0.24 0.26 4.28 -4.23 -1.26 -4.91 115.64 109.67 1jm1 s THR 226 Ca 0.04 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1jm1 s THR 226 Cb 0.03 -1.55 0.23 0.00 1.34 0.00 0.00 72.50 72.56 1jm1 s THR 226 CO 0.05 -0.97 1.81 -0.65 -0.54 0.00 0.00 174.62 174.32 1jm1 h PRO 227 N 3.13 0.79 0.00 3.99 0.11 -1.89 -1.70 132.00 136.43 1jm1 h PRO 227 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1jm1 h PRO 227 Cb 1.14 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1jm1 h PRO 227 CO 0.66 0.53 0.00 1.96 -0.21 0.00 0.00 178.00 180.93 1jm1 h GLN 228 N 0.82 0.00 0.00 1.05 7.50 -1.92 -0.34 115.11 122.22 1jm1 h GLN 228 Ca 0.43 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.58 1jm1 h GLN 228 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.97 1jm1 h GLN 228 CO -0.27 0.00 0.00 -0.25 -1.50 0.00 0.00 178.83 176.81 1jm1 n ASP 229 N -2.52 0.13 0.18 1.46 8.00 -0.64 -1.01 116.55 122.15 1jm1 n ASP 229 Ca 0.00 0.55 0.13 0.00 0.71 0.00 0.00 54.79 56.18 1jm1 n ASP 229 Cb 0.18 -0.57 0.61 0.00 -0.02 0.00 0.00 41.12 41.32 1jm1 n ASP 229 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1jm1 h ASN 230 N 0.00 0.00 0.77 -2.24 2.35 -1.20 -2.19 115.58 113.06 1jm1 h ASN 230 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jm1 h ASN 230 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1jm1 h ASN 230 CO 0.00 0.00 -0.04 0.18 -1.65 0.00 0.00 177.43 175.92 1jm1 n LEU 231 N -2.43 0.06 -4.74 1.61 4.77 -0.18 -4.64 117.00 111.46 1jm1 n LEU 231 Ca 0.00 0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 55.94 1jm1 n LEU 231 Cb 0.16 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1jm1 n LEU 231 CO 0.18 0.01 0.70 -0.76 -1.33 0.00 0.00 177.39 176.19 1jm1 s LEU 232 N -2.80 4.57 -0.19 2.23 1.43 -0.83 -5.02 118.68 118.07 1jm1 s LEU 232 Ca 0.20 1.99 -0.26 0.00 -1.03 0.00 0.00 54.13 55.03 1jm1 s LEU 232 Cb 0.19 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.80 1jm1 s LEU 232 CO 0.51 0.00 0.88 -0.47 0.23 0.00 0.00 176.35 177.50 1jm1 s TYR 233 N -0.76 3.39 -0.24 0.29 5.04 -1.26 -5.03 117.35 118.79 1jm1 s TYR 233 Ca 0.44 1.30 0.02 0.00 -2.44 0.00 0.00 57.07 56.40 1jm1 s TYR 233 Cb -0.27 -3.08 0.05 0.00 0.35 0.00 0.00 41.96 39.01 1jm1 s TYR 233 CO 0.33 -0.31 -0.13 0.34 -1.34 0.00 0.00 175.55 174.45 1jm1 s ASP 234 N 1.20 4.08 0.64 4.32 -1.08 -1.26 -5.00 116.67 119.56 1jm1 s ASP 234 Ca 0.40 -1.20 0.36 0.00 -0.52 0.00 0.00 52.55 51.59 1jm1 s ASP 234 Cb -0.16 -1.51 2.04 0.00 -1.46 0.00 0.00 42.92 41.82 1jm1 s ASP 234 CO 0.11 -0.15 2.23 -0.65 0.52 0.00 0.00 175.17 177.23 1jm1 h PRO 235 N 7.82 0.00 0.00 4.34 0.11 -2.00 -0.55 132.00 141.72 1jm1 h PRO 235 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1jm1 h PRO 235 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1jm1 h PRO 235 CO 0.50 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 1jm1 h ARG 236 N 0.00 0.00 -6.06 1.05 3.08 -1.99 -3.37 114.38 107.09 1jm1 h ARG 236 Ca 0.02 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.51 1jm1 h ARG 236 Cb 0.20 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.16 1jm1 h ARG 236 CO -0.00 0.00 1.39 0.71 -1.07 0.00 0.00 179.97 181.00 1jm1 s TYR 237 N -3.66 2.43 -0.70 3.04 1.51 -0.22 -4.77 117.35 114.98 1jm1 s TYR 237 Ca 0.00 -0.63 0.09 0.00 -1.01 0.00 0.00 57.07 55.53 1jm1 s TYR 237 Cb 0.09 -4.61 0.27 0.00 -0.11 0.00 0.00 41.96 37.60 1jm1 s TYR 237 CO 0.43 -1.91 1.22 -1.13 -1.11 0.00 0.00 175.55 173.04 1jm1 n SER 238 N 9.61 2.82 -4.70 2.29 3.41 -1.26 -4.80 113.62 120.98 1jm1 n SER 238 Ca 0.34 -2.08 -0.43 0.00 -0.26 0.00 0.00 58.87 56.43 1jm1 n SER 238 Cb 0.50 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1jm1 n SER 238 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1jm1 n TYR 239 N 0.23 2.42 -2.55 7.33 4.02 -1.26 -5.03 117.16 122.32 1jm1 n TYR 239 Ca 0.10 0.40 -0.26 0.00 -0.01 0.00 0.00 57.90 58.14 1jm1 n TYR 239 Cb 0.43 -2.50 0.03 0.00 -0.02 0.00 0.00 39.34 37.28 1jm1 n TYR 239 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1jm1 s SER 240 N 0.24 5.65 -0.28 7.72 1.04 -1.26 -4.75 113.70 122.05 1jm1 s SER 240 Ca 0.64 0.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.61 1jm1 s SER 240 Cb -0.58 -1.65 0.02 0.00 0.10 0.00 0.00 66.02 63.91 1jm1 s SER 240 CO 0.52 -0.97 0.04 -0.69 0.98 0.00 0.00 173.24 173.11 1jm1 s VAL 241 N -2.88 3.60 0.54 5.02 1.01 -1.26 -4.87 120.40 121.56 1jm1 s VAL 241 Ca 0.53 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 1jm1 s VAL 241 Cb -0.10 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 1jm1 s VAL 241 CO 0.43 0.09 1.27 -2.65 0.00 0.00 0.00 175.10 174.24 1jm1 n PRO 242 N 4.80 1.56 -2.31 2.72 -0.02 -1.26 -4.98 135.00 135.51 1jm1 n PRO 242 Ca -0.15 0.58 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 1jm1 n PRO 242 Cb 0.47 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 1jm1 n PRO 242 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1jm1 s ASN 243 N -0.92 6.63 -0.13 2.55 3.84 -1.26 -4.68 114.94 120.96 1jm1 s ASN 243 Ca 0.71 2.35 -0.09 0.00 0.21 0.00 0.00 52.86 56.03 1jm1 s ASN 243 Cb -0.43 -2.62 -0.04 0.00 -0.55 0.00 0.00 41.25 37.60 1jm1 s ASN 243 CO 0.50 -0.60 0.18 0.20 -2.79 0.00 0.00 177.10 174.59 1jm1 s ASN 244 N -1.08 6.39 0.38 -4.21 0.01 -1.26 -2.77 114.94 112.39 1jm1 s ASN 244 Ca 0.55 0.46 -0.25 0.00 -0.71 0.00 0.00 52.86 52.92 1jm1 s ASN 244 Cb -0.31 -2.11 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 1jm1 s ASN 244 CO 0.39 0.31 1.05 -2.16 -1.51 0.00 0.00 177.10 175.18 1jm1 s PRO 245 N -0.52 4.26 0.00 -0.60 0.04 -1.26 -5.13 135.00 131.79 1jm1 s PRO 245 Ca 0.14 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.73 1jm1 s PRO 245 Cb -0.12 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 1jm1 s PRO 245 CO 0.03 -0.06 0.17 -1.13 0.04 0.00 0.00 177.00 176.05 1jm1 n SER 246 N 0.14 0.29 -4.76 6.66 3.41 -1.12 -5.08 113.62 113.17 1jm1 n SER 246 Ca 0.04 -0.64 -0.36 0.00 -0.26 0.00 0.00 58.87 57.64 1jm1 n SER 246 Cb 0.49 0.81 0.02 0.00 -0.26 0.00 0.00 64.21 65.27 1jm1 n SER 246 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jm1 s SER 248 N -1.50 0.28 -0.14 0.00 1.04 -0.40 -5.02 113.70 107.96 1jm1 s SER 248 Ca 0.73 -0.68 -0.23 0.00 0.48 0.00 0.00 55.95 56.25 1jm1 s SER 248 Cb -0.30 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 1jm1 s SER 248 CO 0.34 -0.52 0.69 0.20 0.98 0.00 0.00 173.24 174.92 1jm1 s ASN 249 N -2.33 6.86 0.00 7.02 0.01 -1.26 -0.61 114.94 124.63 1jm1 s ASN 249 Ca -0.02 1.04 0.00 0.00 -0.71 0.00 0.00 52.86 53.17 1jm1 s ASN 249 Cb 0.01 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1jm1 s ASN 249 CO -0.06 -0.22 0.28 0.61 -1.51 0.00 0.00 177.10 176.19