#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyx s LYS 36 N 0.00 4.23 -0.11 4.33 2.20 -1.26 -5.02 119.74 124.11 1pyx s LYS 36 Ca 0.00 2.32 0.02 0.00 -0.36 0.00 0.00 55.97 57.94 1pyx s LYS 36 Cb 0.00 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 1pyx s LYS 36 CO 0.00 -0.60 -0.17 0.08 -0.36 0.00 0.00 175.35 174.30 1pyx s VAL 37 N 1.33 2.74 -0.18 4.02 1.01 -1.26 -4.46 120.40 123.59 1pyx s VAL 37 Ca 0.70 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1pyx s VAL 37 Cb -0.42 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1pyx s VAL 37 CO 0.31 0.54 -0.03 -0.89 0.00 0.00 0.00 175.10 175.03 1pyx s THR 38 N 0.23 3.78 -0.10 3.92 2.01 -0.45 -4.95 115.64 120.09 1pyx s THR 38 Ca -0.11 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1pyx s THR 38 Cb -0.16 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1pyx s THR 38 CO 0.06 0.46 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.43 1pyx s THR 39 N 0.79 3.14 0.10 -0.82 2.01 -1.26 -1.47 115.64 118.13 1pyx s THR 39 Ca -0.01 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1pyx s THR 39 Cb -0.14 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1pyx s THR 39 CO 0.02 0.55 -0.02 0.68 -0.69 0.00 0.00 174.62 175.16 1pyx s VAL 40 N -0.09 0.42 -0.23 3.82 -7.23 0.32 -4.97 120.40 112.45 1pyx s VAL 40 Ca -0.02 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1pyx s VAL 40 Cb -0.14 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1pyx s VAL 40 CO 0.04 -0.78 -0.00 -0.69 -0.31 0.00 0.00 175.10 173.36 1pyx s VAL 41 N -3.81 3.68 0.10 1.32 1.01 -1.26 -0.13 120.40 121.32 1pyx s VAL 41 Ca 0.14 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.80 1pyx s VAL 41 Cb 0.07 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1pyx s VAL 41 CO -0.04 0.37 -0.25 0.00 0.00 0.00 0.00 175.10 175.19 1pyx s ALA 42 N 1.52 2.13 0.06 5.51 0.00 0.26 -4.81 121.76 126.44 1pyx s ALA 42 Ca 0.06 -1.34 -0.25 0.00 0.00 0.00 0.00 51.96 50.43 1pyx s ALA 42 Cb -0.15 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.56 1pyx s ALA 42 CO -0.01 0.47 0.76 0.99 0.00 0.00 0.00 175.76 177.98 1pyx s THR 43 N -1.03 4.67 0.59 0.00 2.01 -0.46 0.11 115.64 121.53 1pyx s THR 43 Ca 0.11 1.63 -0.20 0.00 0.31 0.00 0.00 61.69 63.55 1pyx s THR 43 Cb -0.10 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 1pyx s THR 43 CO 0.04 0.39 1.26 -2.84 -0.69 0.00 0.00 174.62 172.79 1pyx s PRO 44 N -0.25 2.96 0.08 4.92 0.02 -1.26 -1.82 135.00 139.65 1pyx s PRO 44 Ca 0.38 1.97 -0.24 0.00 0.02 0.00 0.00 61.00 63.13 1pyx s PRO 44 Cb -0.21 -2.01 -0.16 0.00 0.02 0.00 0.00 34.50 32.14 1pyx s PRO 44 CO 0.23 -1.26 1.71 0.78 -0.33 0.00 0.00 177.00 178.14 1pyx h GLY 45 N 1.01 -0.13 -1.81 0.52 0.00 -1.45 -3.45 103.07 97.76 1pyx h GLY 45 Ca -0.51 0.05 -0.49 0.00 0.00 0.00 0.00 47.33 46.38 1pyx h GLY 45 CO 0.55 -0.05 -0.58 -0.86 0.00 0.00 0.00 176.54 175.61 1pyx s GLN 46 N -6.11 1.71 1.61 4.80 0.00 -1.26 -4.69 119.66 115.72 1pyx s GLN 46 Ca -0.14 -1.98 0.00 0.00 -0.00 0.00 0.00 55.36 53.24 1pyx s GLN 46 Cb 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 33.01 32.32 1pyx s GLN 46 CO 0.65 -0.28 0.00 0.41 0.00 0.00 0.00 175.29 176.07 1pyx n GLY 47 N -0.74 -1.59 3.75 2.60 0.00 -1.26 -4.90 105.19 103.05 1pyx n GLY 47 Ca -0.03 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 1pyx n GLY 47 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pyx s PRO 48 N 0.00 3.26 -1.33 1.61 0.02 -1.26 -4.88 135.00 132.42 1pyx s PRO 48 Ca 0.00 2.23 -0.14 0.00 0.02 0.00 0.00 61.00 63.11 1pyx s PRO 48 Cb 0.00 -2.32 0.10 0.00 0.02 0.00 0.00 34.50 32.30 1pyx s PRO 48 CO 0.00 -1.09 1.88 -3.47 -0.33 0.00 0.00 177.00 173.99 1pyx n ASP 49 N -0.87 4.68 -4.12 2.53 2.03 -1.26 -4.67 116.55 114.87 1pyx n ASP 49 Ca 0.09 -2.95 -0.35 0.00 0.52 0.00 0.00 54.79 52.10 1pyx n ASP 49 Cb 0.45 -1.62 -0.13 0.00 -0.72 0.00 0.00 41.12 39.10 1pyx n ASP 49 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1pyx s ARG 50 N 2.46 2.02 0.20 -0.67 1.81 -1.26 -5.01 118.95 118.51 1pyx s ARG 50 Ca 0.46 -1.68 -0.32 0.00 -1.72 0.00 0.00 55.73 52.47 1pyx s ARG 50 Cb 0.07 -3.41 -0.15 0.00 -0.45 0.00 0.00 34.95 31.02 1pyx s ARG 50 CO -0.01 -0.93 1.14 -2.30 -0.68 0.00 0.00 175.30 172.53 1pyx n PRO 51 N 4.54 1.26 -4.24 3.54 -0.02 -1.26 -4.52 135.00 134.30 1pyx n PRO 51 Ca -0.04 0.45 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 1pyx n PRO 51 Cb 0.42 -1.93 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 1pyx n PRO 51 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1pyx s GLN 52 N -0.64 2.10 -0.19 -0.52 -0.21 0.12 -4.89 119.66 115.42 1pyx s GLN 52 Ca 0.69 -1.09 -0.10 0.00 0.02 0.00 0.00 55.36 54.89 1pyx s GLN 52 Cb -0.80 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 30.89 1pyx s GLN 52 CO 0.54 0.49 0.14 -2.00 -2.12 0.00 0.00 175.29 172.34 1pyx s GLU 53 N -2.35 4.17 -0.05 2.91 2.12 -1.26 0.90 118.70 125.14 1pyx s GLU 53 Ca 0.22 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.39 1pyx s GLU 53 Cb -0.11 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.88 1pyx s GLU 53 CO 0.14 0.31 -0.12 0.08 -0.54 0.00 0.00 175.26 175.13 1pyx s VAL 54 N 0.32 1.05 -0.11 3.70 1.01 0.82 -4.96 120.40 122.22 1pyx s VAL 54 Ca 0.09 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1pyx s VAL 54 Cb -0.11 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1pyx s VAL 54 CO -0.01 0.32 -0.21 -0.44 0.00 0.00 0.00 175.10 174.76 1pyx s SER 55 N 0.38 2.88 0.06 3.32 0.01 -1.26 -0.52 113.70 118.57 1pyx s SER 55 Ca -0.08 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 1pyx s SER 55 Cb -0.12 -1.32 -0.04 0.00 0.21 0.00 0.00 66.02 64.74 1pyx s SER 55 CO 0.02 0.09 -0.02 -0.72 0.41 0.00 0.00 173.24 173.02 1pyx s TYR 56 N 0.66 0.57 0.15 2.43 -0.85 -0.54 -0.12 117.35 119.65 1pyx s TYR 56 Ca -0.12 -1.08 0.03 0.00 -0.52 0.00 0.00 57.07 55.38 1pyx s TYR 56 Cb -0.16 -0.40 -0.01 0.00 0.38 0.00 0.00 41.96 41.76 1pyx s TYR 56 CO 0.03 -0.38 0.15 -2.37 -1.52 0.00 0.00 175.55 171.45 1pyx n THR 57 N 0.09 0.00 -3.73 -3.49 5.66 0.22 -1.34 114.28 111.68 1pyx n THR 57 Ca -0.13 -1.03 -0.24 0.00 -3.05 0.00 0.00 64.05 59.60 1pyx n THR 57 Cb 0.61 0.54 0.04 0.00 -1.55 0.00 0.00 70.33 69.97 1pyx n THR 57 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1pyx n ASP 58 N -2.30 -2.83 -4.71 1.09 8.00 -1.26 -0.53 116.55 114.01 1pyx n ASP 58 Ca 0.03 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 1pyx n ASP 58 Cb 0.27 -4.19 -0.03 0.00 -0.02 0.00 0.00 41.12 37.15 1pyx n ASP 58 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pyx s THR 59 N -3.50 4.07 -0.07 -3.53 2.01 -1.26 -4.34 115.64 109.02 1pyx s THR 59 Ca 0.26 1.47 -0.13 0.00 0.31 0.00 0.00 61.69 63.60 1pyx s THR 59 Cb -0.13 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.47 1pyx s THR 59 CO 0.80 0.09 0.31 -1.59 -0.69 0.00 0.00 174.62 173.54 1pyx s LYS 60 N 1.28 0.52 0.15 4.92 -2.85 -0.75 -4.95 119.74 118.05 1pyx s LYS 60 Ca 0.58 0.12 -0.31 0.00 -1.00 0.00 0.00 55.97 55.37 1pyx s LYS 60 Cb -0.29 0.24 -0.08 0.00 -2.06 0.00 0.00 37.83 35.64 1pyx s LYS 60 CO 0.28 -0.11 1.35 0.08 0.10 0.00 0.00 175.35 177.05 1pyx s VAL 61 N -0.58 3.29 0.00 1.79 1.01 -1.26 -0.45 120.40 124.19 1pyx s VAL 61 Ca -0.07 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1pyx s VAL 61 Cb -0.04 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1pyx s VAL 61 CO 0.02 0.11 0.38 2.30 0.00 0.00 0.00 175.10 177.90 1pyx n ILE 62 N 3.39 0.10 -3.59 2.22 -5.35 0.80 -4.87 119.36 112.05 1pyx n ILE 62 Ca 0.09 -0.34 -0.05 0.00 -0.27 0.00 0.00 62.75 62.18 1pyx n ILE 62 Cb 0.43 1.30 -0.02 0.00 -1.74 0.00 0.00 39.64 39.61 1pyx n ILE 62 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pyx s GLY 63 N -0.10 -0.37 0.27 3.28 0.00 -1.04 -4.95 107.32 104.41 1pyx s GLY 63 Ca 0.00 1.00 -0.05 0.00 0.00 0.00 0.00 44.72 45.67 1pyx s GLY 63 CO 0.00 0.31 0.37 -1.31 0.00 0.00 0.00 173.10 172.47 1pyx s ASN 64 N -2.54 0.40 0.03 1.64 0.01 -1.26 -1.26 114.94 111.96 1pyx s ASN 64 Ca 0.09 -1.28 -0.27 0.00 -0.71 0.00 0.00 52.86 50.68 1pyx s ASN 64 Cb -0.00 0.55 0.08 0.00 0.41 0.00 0.00 41.25 42.29 1pyx s ASN 64 CO -0.05 -1.10 0.73 -0.83 -1.51 0.00 0.00 177.10 174.34 1pyx s GLY 65 N -3.15 -0.53 0.61 0.66 0.00 -0.76 -4.89 107.32 99.26 1pyx s GLY 65 Ca 0.31 1.02 0.28 0.00 0.00 0.00 0.00 44.72 46.32 1pyx s GLY 65 CO 0.15 0.53 1.79 1.48 0.00 0.00 0.00 173.10 177.05 1pyx h SER 66 N 2.36 0.00 -0.39 1.64 4.64 -2.04 -1.91 113.55 117.84 1pyx h SER 66 Ca -0.28 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.79 1pyx h SER 66 Cb 1.23 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.92 1pyx h SER 66 CO 0.36 0.00 -1.07 0.33 -0.87 0.00 0.00 176.83 175.58 1pyx n PHE 67 N -3.45 1.20 -3.78 4.77 7.35 -1.26 -5.10 117.46 117.19 1pyx n PHE 67 Ca 0.08 -1.90 -0.05 0.00 -0.76 0.00 0.00 57.45 54.82 1pyx n PHE 67 Cb 0.74 -0.23 -0.02 0.00 0.35 0.00 0.00 39.48 40.32 1pyx n PHE 67 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1pyx s GLY 68 N -3.52 -0.20 -0.10 7.13 0.00 -0.72 -4.54 107.32 105.37 1pyx s GLY 68 Ca 0.31 0.01 -0.08 0.00 0.00 0.00 0.00 44.72 44.96 1pyx s GLY 68 CO -0.05 -0.02 0.26 0.14 0.00 0.00 0.00 173.10 173.43 1pyx s VAL 69 N -3.48 -0.01 -0.10 1.40 1.01 -1.05 -1.82 120.40 116.34 1pyx s VAL 69 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1pyx s VAL 69 Cb -0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 1pyx s VAL 69 CO 0.03 0.02 -0.22 -0.69 0.00 0.00 0.00 175.10 174.24 1pyx s VAL 70 N 0.56 2.22 0.23 2.92 1.01 -0.39 -0.17 120.40 126.78 1pyx s VAL 70 Ca -0.03 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.07 1pyx s VAL 70 Cb -0.05 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1pyx s VAL 70 CO -0.03 0.55 0.02 -0.31 0.00 0.00 0.00 175.10 175.34 1pyx s TYR 71 N 0.33 2.80 0.05 5.22 1.51 0.59 -0.14 117.35 127.70 1pyx s TYR 71 Ca -0.18 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1pyx s TYR 71 Cb -0.18 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1pyx s TYR 71 CO 0.08 0.57 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.95 1pyx s GLN 72 N -3.45 2.63 0.05 -0.62 0.74 0.40 0.36 119.66 119.77 1pyx s GLN 72 Ca 0.30 -0.74 -0.16 0.00 0.05 0.00 0.00 55.36 54.80 1pyx s GLN 72 Cb -0.08 -2.58 0.03 0.00 1.10 0.00 0.00 33.01 31.48 1pyx s GLN 72 CO 0.20 0.58 0.37 0.00 -0.55 0.00 0.00 175.29 175.89 1pyx s ALA 73 N -1.19 -0.89 -0.20 1.58 0.00 -0.57 -1.81 121.76 118.69 1pyx s ALA 73 Ca 0.22 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 1pyx s ALA 73 Cb -0.12 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1pyx s ALA 73 CO 0.14 -0.45 -0.03 0.21 0.00 0.00 0.00 175.76 175.63 1pyx s LYS 74 N -2.57 3.50 0.07 0.00 2.20 0.31 -0.85 119.74 122.40 1pyx s LYS 74 Ca -0.05 -0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 54.68 1pyx s LYS 74 Cb -0.01 -2.99 -0.07 0.00 -1.51 0.00 0.00 37.83 33.25 1pyx s LYS 74 CO -0.03 -0.03 1.42 -0.51 -0.36 0.00 0.00 175.35 175.84 1pyx s LEU 75 N 1.06 4.35 0.21 5.43 1.43 0.72 -0.61 118.68 131.27 1pyx s LEU 75 Ca 0.01 2.28 -0.09 0.00 -1.03 0.00 0.00 54.13 55.30 1pyx s LEU 75 Cb -0.15 -3.58 0.26 0.00 0.03 0.00 0.00 46.19 42.76 1pyx s LEU 75 CO 0.01 -0.70 1.80 0.00 0.23 0.00 0.00 176.35 177.68 1pyx n ASP 77 N -4.81 0.00 0.05 0.00 5.75 -1.26 -4.13 116.55 112.14 1pyx n ASP 77 Ca 0.09 0.59 0.13 0.00 -0.01 0.00 0.00 54.79 55.59 1pyx n ASP 77 Cb 0.20 -0.09 0.51 0.00 -1.03 0.00 0.00 41.12 40.71 1pyx n ASP 77 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1pyx n SER 78 N -0.78 0.39 0.00 -1.12 3.41 -1.25 -4.91 113.62 109.36 1pyx n SER 78 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1pyx n SER 78 Cb 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1pyx n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pyx n GLY 79 N 1.31 0.66 3.77 5.00 0.00 0.48 -4.99 105.19 111.42 1pyx n GLY 79 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1pyx n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pyx s GLU 80 N -0.21 3.68 0.28 1.61 2.02 -1.25 -4.61 118.70 120.22 1pyx s GLU 80 Ca 0.00 1.87 -0.07 0.00 0.02 0.00 0.00 54.97 56.79 1pyx s GLU 80 Cb 0.00 -2.41 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 1pyx s GLU 80 CO 0.00 -0.64 0.57 -0.51 0.02 0.00 0.00 175.26 174.70 1pyx s LEU 81 N -3.05 4.08 0.19 1.80 1.43 -1.26 -0.20 118.68 121.66 1pyx s LEU 81 Ca 0.64 0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.50 1pyx s LEU 81 Cb -0.31 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 1pyx s LEU 81 CO 0.38 -0.17 0.25 0.68 0.23 0.00 0.00 176.35 177.72 1pyx s VAL 82 N -2.01 0.04 0.07 -1.59 -7.23 -0.03 -3.94 120.40 105.70 1pyx s VAL 82 Ca 0.46 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 59.06 1pyx s VAL 82 Cb -0.11 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1pyx s VAL 82 CO 0.27 -0.17 -0.16 0.00 -0.31 0.00 0.00 175.10 174.74 1pyx s ALA 83 N -4.05 2.71 -0.19 1.32 0.00 0.08 -1.51 121.76 120.13 1pyx s ALA 83 Ca 0.26 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1pyx s ALA 83 Cb 0.04 -0.77 0.05 0.00 0.00 0.00 0.00 23.12 22.43 1pyx s ALA 83 CO 0.06 0.59 -0.06 0.42 0.00 0.00 0.00 175.76 176.77 1pyx s ILE 84 N -1.04 1.28 -0.29 0.00 1.01 0.16 -0.04 121.20 122.28 1pyx s ILE 84 Ca 0.17 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.80 1pyx s ILE 84 Cb -0.11 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1pyx s ILE 84 CO 0.08 0.07 0.56 -0.75 0.00 0.00 0.00 174.94 174.89 1pyx s LYS 85 N 1.55 3.93 -0.25 2.79 2.20 -0.08 -0.30 119.74 129.58 1pyx s LYS 85 Ca -0.01 0.23 -0.06 0.00 -0.36 0.00 0.00 55.97 55.77 1pyx s LYS 85 Cb -0.16 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 1pyx s LYS 85 CO -0.07 -0.49 0.03 0.21 -0.36 0.00 0.00 175.35 174.67 1pyx s LYS 86 N 2.44 3.47 0.05 4.03 2.20 0.76 -0.75 119.74 131.93 1pyx s LYS 86 Ca 0.22 -0.59 0.05 0.00 -0.36 0.00 0.00 55.97 55.29 1pyx s LYS 86 Cb -0.15 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1pyx s LYS 86 CO 0.11 -0.23 -0.13 0.14 -0.36 0.00 0.00 175.35 174.88 1pyx s VAL 87 N 1.55 1.03 0.23 4.02 -7.23 -0.58 -2.53 120.40 116.90 1pyx s VAL 87 Ca 0.06 -1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 1pyx s VAL 87 Cb -0.15 -0.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1pyx s VAL 87 CO 0.01 -0.10 1.33 -0.22 -0.31 0.00 0.00 175.10 175.81 1pyx s LEU 88 N -1.33 4.42 -0.15 1.32 2.96 -1.26 -0.63 118.68 124.01 1pyx s LEU 88 Ca -0.01 2.49 0.01 0.00 -0.22 0.00 0.00 54.13 56.41 1pyx s LEU 88 Cb -0.08 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.99 1pyx s LEU 88 CO 0.01 -0.54 -0.19 -1.58 -1.32 0.00 0.00 176.35 172.73 1pyx s GLN 89 N -0.46 3.11 -0.15 1.98 2.00 0.00 -4.81 119.66 121.32 1pyx s GLN 89 Ca 0.56 -0.81 -0.29 0.00 -2.00 0.00 0.00 55.36 52.82 1pyx s GLN 89 Cb -0.38 -2.53 -0.06 0.00 0.80 0.00 0.00 33.01 30.84 1pyx s GLN 89 CO 0.41 -0.01 2.15 -3.47 -0.50 0.00 0.00 175.29 173.87 1pyx n ASP 90 N 4.10 3.49 0.30 6.67 -0.08 -1.26 -4.56 116.55 125.21 1pyx n ASP 90 Ca -0.20 0.41 0.19 0.00 -1.51 0.00 0.00 54.79 53.68 1pyx n ASP 90 Cb 0.52 -1.54 1.03 0.00 2.34 0.00 0.00 41.12 43.46 1pyx n ASP 90 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1pyx h LYS 91 N 13.70 0.00 -0.10 -0.67 1.79 -1.97 -1.75 116.57 127.57 1pyx h LYS 91 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1pyx h LYS 91 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1pyx h LYS 91 CO 0.96 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.87 1pyx n ARG 92 N -3.48 1.60 -4.10 3.15 1.74 -1.26 -4.95 116.66 109.37 1pyx n ARG 92 Ca -0.02 -0.90 -0.12 0.00 -0.77 0.00 0.00 57.85 56.04 1pyx n ARG 92 Cb 0.13 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 1pyx n ARG 92 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1pyx s PHE 93 N -1.88 0.87 0.02 -1.55 0.40 -0.66 -5.15 117.98 110.02 1pyx s PHE 93 Ca 0.34 -1.13 -0.04 0.00 -0.60 0.00 0.00 56.93 55.51 1pyx s PHE 93 Cb 0.18 -0.15 -0.04 0.00 0.51 0.00 0.00 43.02 43.52 1pyx s PHE 93 CO 0.29 -0.93 0.23 0.21 0.70 0.00 0.00 175.22 175.72 1pyx s LYS 94 N -3.75 3.50 -0.33 0.44 2.36 -1.26 -4.76 119.74 115.94 1pyx s LYS 94 Ca 0.30 -0.24 -0.27 0.00 -2.55 0.00 0.00 55.97 53.22 1pyx s LYS 94 Cb 0.02 -3.06 0.01 0.00 -1.05 0.00 0.00 37.83 33.75 1pyx s LYS 94 CO 0.14 0.64 0.95 1.21 1.55 0.00 0.00 175.35 179.84 1pyx s ASN 95 N -2.00 6.79 0.20 1.43 3.84 -1.26 -4.93 114.94 119.01 1pyx s ASN 95 Ca 0.30 0.83 -0.08 0.00 0.21 0.00 0.00 52.86 54.11 1pyx s ASN 95 Cb -0.13 -2.48 0.14 0.00 -0.55 0.00 0.00 41.25 38.23 1pyx s ASN 95 CO 0.20 -0.79 1.76 -0.09 -2.79 0.00 0.00 177.10 175.39 1pyx h ARG 96 N 8.18 1.14 -0.39 0.43 2.43 -1.97 -0.58 114.38 123.63 1pyx h ARG 96 Ca -0.22 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 58.74 1pyx h ARG 96 Cb 1.08 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1pyx h ARG 96 CO 0.98 0.94 0.24 1.49 -1.51 0.00 0.00 179.97 182.10 1pyx h GLU 97 N 1.10 0.47 -0.18 0.20 4.81 -1.90 -0.42 114.58 118.64 1pyx h GLU 97 Ca 0.25 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1pyx h GLU 97 Cb 0.24 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1pyx h GLU 97 CO -0.02 0.31 0.09 1.25 -0.73 0.00 0.00 179.01 179.91 1pyx h LEU 98 N 0.48 0.24 -1.34 1.64 5.85 -1.84 -0.99 115.31 119.36 1pyx h LEU 98 Ca 0.15 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1pyx h LEU 98 Cb -0.01 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1pyx h LEU 98 CO -0.06 0.29 0.28 1.56 -0.34 0.00 0.00 178.44 180.17 1pyx h GLN 99 N 0.17 0.73 -0.05 1.25 1.08 -0.78 -1.70 115.11 115.82 1pyx h GLN 99 Ca 0.06 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1pyx h GLN 99 Cb 0.11 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1pyx h GLN 99 CO -0.01 0.55 -0.12 0.82 -0.95 0.00 0.00 178.83 179.13 1pyx h ILE 100 N 0.74 1.44 -0.12 2.54 2.04 -0.88 -3.25 117.51 120.01 1pyx h ILE 100 Ca 0.19 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1pyx h ILE 100 Cb 0.03 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1pyx h ILE 100 CO -0.03 0.40 0.04 0.24 0.00 0.00 0.00 178.15 178.80 1pyx h MET 101 N -0.36 0.16 0.00 2.37 2.86 -0.89 -1.25 114.93 117.82 1pyx h MET 101 Ca -0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1pyx h MET 101 Cb 0.71 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 1pyx h MET 101 CO 0.03 0.14 -0.03 0.00 1.06 0.00 0.00 176.91 178.11 1pyx h ARG 102 N 0.16 0.00 0.00 1.72 3.08 -1.35 -2.31 114.38 115.68 1pyx h ARG 102 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1pyx h ARG 102 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1pyx h ARG 102 CO -0.00 0.03 -0.59 1.63 -1.07 0.00 0.00 179.97 179.96 1pyx n LYS 103 N -3.19 0.05 -3.51 0.04 5.02 -0.47 -4.67 118.16 111.44 1pyx n LYS 103 Ca -0.01 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 1pyx n LYS 103 Cb 0.21 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1pyx n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pyx s LEU 104 N -3.20 4.37 -0.34 -0.35 1.43 -0.87 -5.03 118.68 114.69 1pyx s LEU 104 Ca 0.10 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1pyx s LEU 104 Cb 0.17 -2.51 0.15 0.00 0.03 0.00 0.00 46.19 44.03 1pyx s LEU 104 CO 0.72 0.21 0.32 -0.62 0.23 0.00 0.00 176.35 177.21 1pyx s ASP 105 N -0.32 1.69 -0.10 2.29 3.68 -1.26 -4.89 116.67 117.76 1pyx s ASP 105 Ca 0.21 -1.45 -0.12 0.00 2.13 0.00 0.00 52.55 53.32 1pyx s ASP 105 Cb -0.15 0.35 0.03 0.00 -1.45 0.00 0.00 42.92 41.70 1pyx s ASP 105 CO 0.09 -0.31 0.32 -2.28 0.13 0.00 0.00 175.17 173.13 1pyx s HIS 106 N 1.64 -0.33 -0.28 -5.34 2.46 -1.26 -5.04 115.29 107.15 1pyx s HIS 106 Ca 0.15 0.77 0.24 0.00 0.47 0.00 0.00 55.06 56.69 1pyx s HIS 106 Cb -0.16 0.12 1.15 0.00 -0.13 0.00 0.00 32.58 33.55 1pyx s HIS 106 CO -0.12 -0.21 1.74 0.00 -2.47 0.00 0.00 174.74 173.68 1pyx n ASN 108 N -2.34 3.63 -3.89 0.00 3.02 -1.26 -4.83 115.26 109.58 1pyx n ASN 108 Ca 0.00 -3.33 -0.22 0.00 -0.03 0.00 0.00 54.58 51.00 1pyx n ASN 108 Cb 0.15 -0.63 -0.17 0.00 -0.61 0.00 0.00 39.78 38.53 1pyx n ASN 108 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pyx s ILE 109 N -3.02 0.66 0.20 2.41 1.01 -0.77 -0.84 121.20 120.85 1pyx s ILE 109 Ca 0.46 -0.15 -0.32 0.00 0.00 0.00 0.00 60.65 60.63 1pyx s ILE 109 Cb 0.39 -0.69 -0.13 0.00 0.01 0.00 0.00 42.46 42.04 1pyx s ILE 109 CO 0.07 0.27 1.56 0.55 0.00 0.00 0.00 174.94 177.39 1pyx n VAL 110 N 4.31 0.36 -2.76 2.92 3.14 -0.54 -4.64 118.33 121.12 1pyx n VAL 110 Ca -0.20 -0.09 -0.42 0.00 -2.96 0.00 0.00 64.34 60.68 1pyx n VAL 110 Cb 0.51 -1.64 -0.03 0.00 -1.06 0.00 0.00 33.84 31.61 1pyx n VAL 110 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1pyx s ARG 111 N 0.45 4.55 -0.46 1.45 3.52 -1.26 -4.94 118.95 122.27 1pyx s ARG 111 Ca 0.74 1.34 -0.26 0.00 -0.13 0.00 0.00 55.73 57.41 1pyx s ARG 111 Cb -0.62 -3.45 0.03 0.00 -1.56 0.00 0.00 34.95 29.34 1pyx s ARG 111 CO 0.41 -0.01 0.98 -1.17 -0.81 0.00 0.00 175.30 174.70 1pyx s LEU 112 N 0.89 3.91 -0.11 -0.88 2.96 -1.26 -2.00 118.68 122.20 1pyx s LEU 112 Ca 0.49 0.25 -0.19 0.00 -0.22 0.00 0.00 54.13 54.47 1pyx s LEU 112 Cb -0.21 -3.29 -0.16 0.00 0.50 0.00 0.00 46.19 43.03 1pyx s LEU 112 CO 0.27 -1.08 0.57 0.03 -1.32 0.00 0.00 176.35 174.82 1pyx h ARG 113 N 9.05 -0.05 -3.92 1.98 3.08 -0.34 -3.38 114.38 120.81 1pyx h ARG 113 Ca -0.24 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 1pyx h ARG 113 Cb 1.07 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.03 1pyx h ARG 113 CO 1.05 0.52 -0.26 0.71 -1.07 0.00 0.00 179.97 180.92 1pyx s TYR 114 N -2.33 0.61 -0.01 3.04 1.51 -1.16 -1.51 117.35 117.50 1pyx s TYR 114 Ca -0.12 -0.93 -0.10 0.00 -1.01 0.00 0.00 57.07 54.91 1pyx s TYR 114 Cb -0.01 -0.02 0.01 0.00 -0.11 0.00 0.00 41.96 41.83 1pyx s TYR 114 CO 0.44 -0.91 0.21 -0.59 -1.11 0.00 0.00 175.55 173.59 1pyx s PHE 115 N -4.01 -0.05 0.19 2.71 -0.12 -0.75 -0.41 117.98 115.53 1pyx s PHE 115 Ca 0.27 0.04 -0.19 0.00 -0.05 0.00 0.00 56.93 57.00 1pyx s PHE 115 Cb 0.01 0.01 0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1pyx s PHE 115 CO 0.10 -0.32 0.56 -0.59 -0.05 0.00 0.00 175.22 174.92 1pyx s PHE 116 N -1.30 -0.26 0.10 3.49 -0.12 -0.77 -1.35 117.98 117.76 1pyx s PHE 116 Ca -0.14 -0.05 0.05 0.00 -0.05 0.00 0.00 56.93 56.73 1pyx s PHE 116 Cb -0.06 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1pyx s PHE 116 CO 0.03 -0.92 0.03 0.71 -0.05 0.00 0.00 175.22 175.02 1pyx s TYR 117 N -3.84 3.04 0.32 3.49 1.51 -1.26 -0.37 117.35 120.24 1pyx s TYR 117 Ca 0.06 -0.01 -0.07 0.00 -1.01 0.00 0.00 57.07 56.05 1pyx s TYR 117 Cb -0.01 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1pyx s TYR 117 CO -0.06 0.50 0.50 -1.54 -1.11 0.00 0.00 175.55 173.85 1pyx s SER 118 N -2.46 0.53 0.08 2.29 1.04 -0.35 -4.98 113.70 109.85 1pyx s SER 118 Ca 0.27 -1.30 -0.03 0.00 0.48 0.00 0.00 55.95 55.37 1pyx s SER 118 Cb -0.11 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1pyx s SER 118 CO 0.20 -1.29 0.16 -1.54 0.98 0.00 0.00 173.24 171.74 1pyx n SER 119 N -1.12 -0.46 -1.58 7.02 3.41 -1.26 0.21 113.62 119.84 1pyx n SER 119 Ca -0.01 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1pyx n SER 119 Cb 0.62 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 1pyx n SER 119 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pyx n GLU 125 N -0.11 -0.52 -4.45 4.33 -0.58 -1.26 -5.02 120.64 113.03 1pyx n GLU 125 Ca -0.02 0.37 -0.34 0.00 -0.42 0.00 0.00 57.16 56.75 1pyx n GLU 125 Cb 0.12 -0.85 -0.11 0.00 -0.57 0.00 0.00 31.44 30.03 1pyx n GLU 125 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1pyx s VAL 126 N -0.05 4.01 0.01 2.62 1.01 -1.26 -5.06 120.40 121.68 1pyx s VAL 126 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1pyx s VAL 126 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1pyx s VAL 126 CO 0.00 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.23 1pyx s TYR 127 N -0.45 2.73 -0.18 5.22 1.51 0.13 -0.82 117.35 125.48 1pyx s TYR 127 Ca 0.07 -0.14 -0.09 0.00 -1.01 0.00 0.00 57.07 55.90 1pyx s TYR 127 Cb -0.12 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.13 1pyx s TYR 127 CO 0.02 0.30 0.12 -1.17 -1.11 0.00 0.00 175.55 173.71 1pyx s LEU 128 N -1.34 4.19 -0.19 -1.29 2.96 0.20 -1.21 118.68 122.00 1pyx s LEU 128 Ca 0.15 0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 54.31 1pyx s LEU 128 Cb -0.11 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1pyx s LEU 128 CO 0.06 0.22 -0.15 0.20 -1.32 0.00 0.00 176.35 175.35 1pyx s ASN 129 N 0.12 3.49 -0.33 3.68 -0.87 0.50 -1.52 114.94 120.00 1pyx s ASN 129 Ca 0.09 -0.60 -0.12 0.00 -1.57 0.00 0.00 52.86 50.66 1pyx s ASN 129 Cb -0.11 -1.55 -0.02 0.00 -0.02 0.00 0.00 41.25 39.54 1pyx s ASN 129 CO -0.01 -0.01 0.22 -0.76 -2.57 0.00 0.00 177.10 173.97 1pyx s LEU 130 N 1.34 4.38 -0.32 0.60 1.43 0.07 -1.85 118.68 124.33 1pyx s LEU 130 Ca 0.05 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 52.59 1pyx s LEU 130 Cb -0.14 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1pyx s LEU 130 CO -0.10 -0.20 0.57 -0.69 0.23 0.00 0.00 176.35 176.15 1pyx s VAL 131 N 1.71 4.98 0.31 -1.59 1.01 0.45 -0.90 120.40 126.37 1pyx s VAL 131 Ca 0.06 0.64 0.11 0.00 0.00 0.00 0.00 61.98 62.78 1pyx s VAL 131 Cb -0.17 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1pyx s VAL 131 CO 0.10 -0.15 -0.11 -0.76 0.00 0.00 0.00 175.10 174.18 1pyx s LEU 132 N 2.49 2.76 0.49 3.92 1.43 0.95 0.45 118.68 131.18 1pyx s LEU 132 Ca 0.22 -1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.06 1pyx s LEU 132 Cb -0.15 -1.18 -0.06 0.00 0.03 0.00 0.00 46.19 44.82 1pyx s LEU 132 CO 0.12 -0.08 1.29 -1.81 0.23 0.00 0.00 176.35 176.10 1pyx s ASP 133 N -3.59 5.74 -0.02 2.29 1.01 -0.85 -0.75 116.67 120.50 1pyx s ASP 133 Ca 0.32 2.60 -0.21 0.00 0.71 0.00 0.00 52.55 55.96 1pyx s ASP 133 Cb -0.02 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 1pyx s ASP 133 CO 0.17 -1.24 0.61 -0.47 0.21 0.00 0.00 175.17 174.45 1pyx s TYR 134 N -1.38 3.65 -0.09 4.23 5.04 -1.25 -4.35 117.35 123.21 1pyx s TYR 134 Ca 0.66 1.19 0.02 0.00 -2.44 0.00 0.00 57.07 56.50 1pyx s TYR 134 Cb -0.36 -2.64 0.02 0.00 0.35 0.00 0.00 41.96 39.33 1pyx s TYR 134 CO 0.44 0.29 -0.13 0.08 -1.34 0.00 0.00 175.55 174.89 1pyx s VAL 135 N 0.03 1.25 0.30 3.14 1.01 -1.26 -4.96 120.40 119.91 1pyx s VAL 135 Ca 0.32 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1pyx s VAL 135 Cb -0.18 -1.15 0.28 0.00 0.00 0.00 0.00 36.38 35.32 1pyx s VAL 135 CO 0.17 0.39 1.92 -0.65 0.00 0.00 0.00 175.10 176.93 1pyx h PRO 136 N 7.29 1.01 -5.05 2.72 0.11 -1.98 -3.46 132.00 132.64 1pyx h PRO 136 Ca -0.30 -0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.21 1pyx h PRO 136 Cb 1.18 -0.23 -0.13 0.00 0.11 0.00 0.00 31.00 31.92 1pyx h PRO 136 CO 0.47 0.67 -0.53 -1.21 -0.21 0.00 0.00 178.00 177.18 1pyx s GLU 137 N -5.91 1.86 0.09 1.05 0.41 -0.18 -4.99 118.70 111.03 1pyx s GLU 137 Ca -0.11 -2.11 0.05 0.00 -0.41 0.00 0.00 54.97 52.39 1pyx s GLU 137 Cb 0.19 -0.61 -0.03 0.00 -1.78 0.00 0.00 34.13 31.91 1pyx s GLU 137 CO 0.80 -0.43 -0.14 0.95 -0.49 0.00 0.00 175.26 175.95 1pyx s THR 138 N -3.26 1.19 0.51 3.63 -4.23 -1.26 0.67 115.64 112.89 1pyx s THR 138 Ca 0.27 -1.48 0.16 0.00 -1.18 0.00 0.00 61.69 59.46 1pyx s THR 138 Cb 0.04 -1.27 0.26 0.00 1.34 0.00 0.00 72.50 72.87 1pyx s THR 138 CO 0.15 -0.31 2.13 0.58 -0.54 0.00 0.00 174.62 176.63 1pyx h VAL 139 N 3.96 1.01 0.54 2.29 2.07 -0.71 -2.15 116.25 123.25 1pyx h VAL 139 Ca -0.40 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1pyx h VAL 139 Cb 1.19 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1pyx h VAL 139 CO 0.45 0.02 -0.26 0.22 0.02 0.00 0.00 177.57 178.02 1pyx h TYR 140 N 0.00 -0.67 -0.38 1.57 3.20 -1.76 0.51 116.97 119.44 1pyx h TYR 140 Ca -0.00 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pyx h TYR 140 Cb 0.04 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1pyx h TYR 140 CO 0.00 -0.40 0.24 0.00 -1.64 0.00 0.00 178.16 176.36 1pyx h ARG 141 N -0.77 0.48 -0.07 1.82 3.08 -1.81 0.13 114.38 117.24 1pyx h ARG 141 Ca -0.07 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1pyx h ARG 141 Cb 0.58 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1pyx h ARG 141 CO 0.12 0.32 -0.03 0.28 -1.07 0.00 0.00 179.97 179.58 1pyx h VAL 142 N 0.49 0.89 -0.85 2.04 2.07 -1.38 -1.01 116.25 118.50 1pyx h VAL 142 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1pyx h VAL 142 Cb -0.03 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1pyx h VAL 142 CO -0.05 0.00 0.44 0.00 0.02 0.00 0.00 177.57 177.99 1pyx h ALA 143 N 1.03 1.18 -0.46 1.67 0.00 -0.51 -2.31 119.26 119.87 1pyx h ALA 143 Ca 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1pyx h ALA 143 Cb 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1pyx h ALA 143 CO -0.08 0.64 0.07 -0.09 0.00 0.00 0.00 179.25 179.78 1pyx h ARG 144 N 1.19 0.72 -0.38 0.00 2.43 -0.32 -0.60 114.38 117.43 1pyx h ARG 144 Ca 0.30 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1pyx h ARG 144 Cb 0.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1pyx h ARG 144 CO -0.04 0.69 0.06 1.25 -1.51 0.00 0.00 179.97 180.41 1pyx h HIS 145 N 0.69 0.67 -0.44 2.20 2.76 -0.66 -1.42 115.15 118.94 1pyx h HIS 145 Ca 0.15 -0.09 -0.14 0.00 -2.20 0.00 0.00 60.37 58.08 1pyx h HIS 145 Cb 0.33 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1pyx h HIS 145 CO 0.02 0.68 -0.28 1.88 -1.30 0.00 0.00 177.93 178.92 1pyx h TYR 146 N 0.47 1.13 -0.57 5.26 -1.99 -1.24 -2.64 116.97 117.40 1pyx h TYR 146 Ca 0.11 -0.30 -0.05 0.00 2.00 0.00 0.00 58.73 60.49 1pyx h TYR 146 Cb 0.37 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 1pyx h TYR 146 CO 0.03 1.13 0.14 1.03 -0.00 0.00 0.00 178.16 180.48 1pyx h SER 147 N 0.82 0.86 0.58 3.88 0.87 -1.00 0.21 113.55 119.76 1pyx h SER 147 Ca 0.09 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1pyx h SER 147 Cb 0.87 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1pyx h SER 147 CO 0.08 0.87 -0.08 -2.11 -0.53 0.00 0.00 176.83 175.06 1pyx n ARG 148 N -4.39 0.40 -0.26 2.24 1.85 -0.55 -2.44 116.66 113.51 1pyx n ARG 148 Ca 0.03 -0.08 0.12 0.00 -1.00 0.00 0.00 57.85 56.91 1pyx n ARG 148 Cb 0.23 -1.50 0.26 0.00 -1.05 0.00 0.00 32.46 30.41 1pyx n ARG 148 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pyx n ALA 149 N -1.23 2.41 -1.08 2.89 0.00 -0.91 -4.93 120.51 117.67 1pyx n ALA 149 Ca 0.12 -1.08 -0.03 0.00 0.00 0.00 0.00 53.44 52.45 1pyx n ALA 149 Cb 0.28 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 1pyx n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pyx n LYS 150 N 1.50 -0.96 -2.80 0.00 4.76 -0.94 -5.00 118.16 114.73 1pyx n LYS 150 Ca 0.21 0.41 -0.15 0.00 -2.87 0.00 0.00 58.31 55.91 1pyx n LYS 150 Cb 0.60 -4.22 0.00 0.00 -1.84 0.00 0.00 35.03 29.57 1pyx n LYS 150 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1pyx n GLN 151 N -1.37 1.00 -3.85 1.97 6.02 0.68 -5.00 117.38 116.83 1pyx n GLN 151 Ca -0.03 -1.99 -0.12 0.00 -0.01 0.00 0.00 57.00 54.86 1pyx n GLN 151 Cb 0.28 0.18 -0.12 0.00 1.02 0.00 0.00 30.24 31.61 1pyx n GLN 151 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1pyx s THR 152 N -1.54 0.03 0.61 5.09 -4.23 -1.26 -3.71 115.64 110.63 1pyx s THR 152 Ca 0.20 -0.29 -0.18 0.00 -1.18 0.00 0.00 61.69 60.24 1pyx s THR 152 Cb -0.02 -0.29 -0.03 0.00 1.34 0.00 0.00 72.50 73.51 1pyx s THR 152 CO 0.12 -0.16 1.18 -1.48 -0.54 0.00 0.00 174.62 173.75 1pyx s LEU 153 N -0.51 3.61 0.26 4.79 2.34 -1.26 -4.90 118.68 123.01 1pyx s LEU 153 Ca -0.06 2.31 -0.30 0.00 0.06 0.00 0.00 54.13 56.14 1pyx s LEU 153 Cb -0.04 -4.59 -0.14 0.00 -0.56 0.00 0.00 46.19 40.87 1pyx s LEU 153 CO 0.01 -1.61 1.24 -2.65 -1.06 0.00 0.00 176.35 172.27 1pyx n PRO 154 N -1.75 1.72 0.19 1.48 -0.02 -1.26 -4.80 135.00 130.55 1pyx n PRO 154 Ca 0.13 0.61 0.18 0.00 -2.02 0.00 0.00 63.50 62.40 1pyx n PRO 154 Cb 0.50 -2.15 0.82 0.00 -0.02 0.00 0.00 33.50 32.65 1pyx n PRO 154 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1pyx h VAL 155 N 2.61 0.42 -0.54 -1.45 2.07 -1.99 0.16 116.25 117.52 1pyx h VAL 155 Ca -0.43 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1pyx h VAL 155 Cb 1.31 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1pyx h VAL 155 CO 0.68 0.00 0.30 -0.29 0.02 0.00 0.00 177.57 178.29 1pyx h ILE 156 N 0.00 1.16 -0.05 4.57 6.09 -2.00 0.27 117.51 127.55 1pyx h ILE 156 Ca 0.10 -0.40 -0.19 0.00 -1.37 0.00 0.00 64.86 63.01 1pyx h ILE 156 Cb 0.62 0.42 -0.00 0.00 0.47 0.00 0.00 36.82 38.32 1pyx h ILE 156 CO -0.00 0.18 -0.78 1.88 -3.07 0.00 0.00 178.15 176.35 1pyx h TYR 157 N 0.75 0.52 -0.90 2.19 0.05 -1.02 -1.99 116.97 116.58 1pyx h TYR 157 Ca 0.19 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1pyx h TYR 157 Cb 0.01 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 1pyx h TYR 157 CO 0.00 1.02 0.48 0.28 -1.05 0.00 0.00 178.16 178.90 1pyx h VAL 158 N 0.24 1.26 0.08 -2.88 2.07 -1.13 0.73 116.25 116.62 1pyx h VAL 158 Ca -0.04 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1pyx h VAL 158 Cb 1.37 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1pyx h VAL 158 CO 0.13 0.30 -0.04 0.11 0.02 0.00 0.00 177.57 178.09 1pyx h LYS 159 N 1.26 -0.11 -0.37 1.57 1.57 -0.87 -1.70 116.57 117.93 1pyx h LYS 159 Ca 0.32 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1pyx h LYS 159 Cb 0.04 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1pyx h LYS 159 CO -0.05 0.16 0.20 -0.07 -0.57 0.00 0.00 179.45 179.12 1pyx h LEU 160 N -0.37 0.32 -0.18 2.94 3.38 -1.06 -0.76 115.31 119.57 1pyx h LEU 160 Ca -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1pyx h LEU 160 Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1pyx h LEU 160 CO 0.02 0.23 -0.02 1.88 0.09 0.00 0.00 178.44 180.64 1pyx h TYR 161 N 0.41 0.37 -0.59 1.13 0.05 -0.87 -2.13 116.97 115.34 1pyx h TYR 161 Ca 0.15 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.77 1pyx h TYR 161 Cb 0.03 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1pyx h TYR 161 CO -0.08 0.56 0.02 0.52 -1.05 0.00 0.00 178.16 178.13 1pyx h MET 162 N 0.07 1.01 -0.40 4.88 2.86 -1.26 -0.40 114.93 121.69 1pyx h MET 162 Ca 0.05 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1pyx h MET 162 Cb 0.42 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1pyx h MET 162 CO 0.01 0.98 0.17 -0.92 1.06 0.00 0.00 176.91 178.21 1pyx h TYR 163 N 0.93 0.59 -0.21 -0.22 3.20 -1.12 0.21 116.97 120.35 1pyx h TYR 163 Ca 0.17 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 1pyx h TYR 163 Cb 0.51 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1pyx h TYR 163 CO 0.03 0.51 -0.34 1.96 -1.64 0.00 0.00 178.16 178.68 1pyx h GLN 164 N 0.50 0.44 -0.30 1.82 4.20 -1.20 -1.13 115.11 119.43 1pyx h GLN 164 Ca 0.13 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1pyx h GLN 164 Cb 0.16 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1pyx h GLN 164 CO -0.01 0.73 0.11 1.25 -0.67 0.00 0.00 178.83 180.23 1pyx h LEU 165 N 0.38 0.43 -1.45 1.46 5.85 -0.61 -1.60 115.31 119.77 1pyx h LEU 165 Ca 0.04 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1pyx h LEU 165 Cb 0.78 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1pyx h LEU 165 CO 0.06 0.50 0.11 -0.26 -0.34 0.00 0.00 178.44 178.51 1pyx h PHE 166 N 0.33 0.47 -0.26 1.25 0.04 -0.68 -1.15 116.94 116.94 1pyx h PHE 166 Ca 0.10 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 1pyx h PHE 166 Cb 0.22 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1pyx h PHE 166 CO 0.00 0.39 0.05 0.00 -0.60 0.00 0.00 178.31 178.15 1pyx h ARG 167 N 0.47 0.43 -0.98 1.51 3.08 -0.81 -0.06 114.38 118.01 1pyx h ARG 167 Ca 0.12 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1pyx h ARG 167 Cb 0.14 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1pyx h ARG 167 CO -0.01 0.54 0.65 0.66 -1.07 0.00 0.00 179.97 180.74 1pyx h SER 168 N 0.24 1.08 -0.37 7.04 4.64 -0.72 -1.46 113.55 123.99 1pyx h SER 168 Ca 0.08 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 1pyx h SER 168 Cb 0.32 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1pyx h SER 168 CO 0.00 0.75 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.47 1pyx h LEU 169 N 1.25 0.79 -1.27 5.97 4.07 -0.98 -1.22 115.31 123.92 1pyx h LEU 169 Ca 0.39 -0.40 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 1pyx h LEU 169 Cb -0.02 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 1pyx h LEU 169 CO -0.12 1.02 0.40 0.00 -1.08 0.00 0.00 178.44 178.66 1pyx h ALA 170 N 0.80 1.46 0.26 1.53 0.00 -0.64 0.86 119.26 123.53 1pyx h ALA 170 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pyx h ALA 170 Cb 0.71 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pyx h ALA 170 CO 0.05 0.47 -0.12 -0.92 0.00 0.00 0.00 179.25 178.73 1pyx h TYR 171 N 0.91 -0.32 -0.49 0.00 5.03 -1.01 -2.05 116.97 119.04 1pyx h TYR 171 Ca 0.24 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.47 1pyx h TYR 171 Cb -0.04 0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 1pyx h TYR 171 CO 0.00 0.05 0.01 -0.84 -1.32 0.00 0.00 178.16 176.06 1pyx h ILE 172 N -0.80 1.24 -0.17 1.81 3.07 -1.12 -2.46 117.51 119.09 1pyx h ILE 172 Ca -0.04 -0.99 -0.03 0.00 1.55 0.00 0.00 64.86 65.35 1pyx h ILE 172 Cb 0.51 0.85 -0.01 0.00 -0.27 0.00 0.00 36.82 37.90 1pyx h ILE 172 CO 0.06 0.35 -0.05 0.45 -1.05 0.00 0.00 178.15 177.91 1pyx h HIS 173 N 0.76 0.26 0.00 0.16 3.86 -0.77 -0.90 115.15 118.51 1pyx h HIS 173 Ca 0.15 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1pyx h HIS 173 Cb 0.44 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1pyx h HIS 173 CO 0.02 0.31 0.00 0.66 0.86 0.00 0.00 177.93 179.78 1pyx h SER 174 N 0.25 0.00 -0.21 2.45 4.64 -0.86 0.49 113.55 120.30 1pyx h SER 174 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1pyx h SER 174 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1pyx h SER 174 CO 0.01 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.46 1pyx n PHE 175 N -2.83 0.26 -0.86 4.77 3.01 -0.41 -4.93 117.46 116.47 1pyx n PHE 175 Ca -0.02 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1pyx n PHE 175 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1pyx n PHE 175 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pyx n GLY 176 N 1.42 0.78 3.68 1.37 0.00 0.17 -4.94 105.19 107.67 1pyx n GLY 176 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1pyx n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pyx s ILE 177 N -3.00 4.97 -0.15 -0.61 1.01 -0.80 -0.54 121.20 122.08 1pyx s ILE 177 Ca 0.00 1.44 -0.03 0.00 0.00 0.00 0.00 60.65 62.06 1pyx s ILE 177 Cb 0.00 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1pyx s ILE 177 CO 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 174.94 175.03 1pyx h HIS 179 N 6.58 0.25 0.00 0.00 2.76 -1.91 -0.98 115.15 121.86 1pyx h HIS 179 Ca -0.32 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1pyx h HIS 179 Cb 1.19 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.09 1pyx h HIS 179 CO 0.54 0.54 0.00 0.54 -1.30 0.00 0.00 177.93 178.25 1pyx n ARG 180 N -4.73 -0.57 -2.73 5.26 1.74 -1.26 -2.13 116.66 112.23 1pyx n ARG 180 Ca -0.06 0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1pyx n ARG 180 Cb 0.26 -3.70 0.08 0.00 -1.02 0.00 0.00 32.46 28.08 1pyx n ARG 180 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1pyx n ASP 181 N -0.28 0.14 -4.65 0.55 2.03 -1.26 -2.32 116.55 110.76 1pyx n ASP 181 Ca 0.00 -2.31 -0.43 0.00 0.52 0.00 0.00 54.79 52.57 1pyx n ASP 181 Cb 0.14 0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.60 1pyx n ASP 181 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1pyx s ILE 182 N -1.92 4.07 0.10 5.18 -1.09 -1.26 -4.81 121.20 121.46 1pyx s ILE 182 Ca 0.21 1.26 -0.25 0.00 -2.23 0.00 0.00 60.65 59.64 1pyx s ILE 182 Cb 0.40 -3.92 0.08 0.00 -1.58 0.00 0.00 42.46 37.44 1pyx s ILE 182 CO -0.05 -0.23 0.67 -1.59 -1.23 0.00 0.00 174.94 172.50 1pyx s LYS 183 N 3.91 1.16 0.37 2.79 -2.85 -1.26 -4.79 119.74 119.07 1pyx s LYS 183 Ca 0.60 -0.35 0.14 0.00 -1.00 0.00 0.00 55.97 55.35 1pyx s LYS 183 Cb -0.22 0.53 0.97 0.00 -2.06 0.00 0.00 37.83 37.05 1pyx s LYS 183 CO 0.21 -0.49 1.81 -1.35 0.10 0.00 0.00 175.35 175.63 1pyx h PRO 184 N 2.11 0.52 0.00 1.78 0.11 -1.95 -0.95 132.00 133.62 1pyx h PRO 184 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1pyx h PRO 184 Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1pyx h PRO 184 CO 0.37 0.34 0.00 1.96 -0.21 0.00 0.00 178.00 180.46 1pyx h GLN 185 N 0.53 0.00 -0.68 1.05 7.50 -1.95 -2.51 115.11 119.04 1pyx h GLN 185 Ca 0.53 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.68 1pyx h GLN 185 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.67 1pyx h GLN 185 CO -0.27 0.00 0.00 0.09 -1.50 0.00 0.00 178.83 177.15 1pyx n ASN 186 N -2.68 4.63 -4.08 1.46 3.02 -0.36 -4.76 115.26 112.49 1pyx n ASN 186 Ca 0.01 -2.34 -0.35 0.00 -0.03 0.00 0.00 54.58 51.87 1pyx n ASN 186 Cb 0.22 -0.57 -0.12 0.00 -0.61 0.00 0.00 39.78 38.70 1pyx n ASN 186 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pyx s LEU 187 N -1.65 5.09 0.35 3.41 1.43 -0.96 -1.31 118.68 125.04 1pyx s LEU 187 Ca 0.52 -2.19 -0.26 0.00 -1.03 0.00 0.00 54.13 51.16 1pyx s LEU 187 Cb 0.32 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.67 1pyx s LEU 187 CO 0.27 -0.47 1.03 -0.76 0.23 0.00 0.00 176.35 176.65 1pyx s LEU 188 N 0.89 4.31 -0.01 1.79 1.43 0.07 -0.37 118.68 126.79 1pyx s LEU 188 Ca 0.10 2.03 0.02 0.00 -1.03 0.00 0.00 54.13 55.25 1pyx s LEU 188 Cb -0.22 -3.99 -0.00 0.00 0.03 0.00 0.00 46.19 42.01 1pyx s LEU 188 CO -0.05 -0.28 -0.06 -0.76 0.23 0.00 0.00 176.35 175.43 1pyx s LEU 189 N -2.16 1.99 -0.36 1.79 1.43 0.21 -0.35 118.68 121.24 1pyx s LEU 189 Ca 0.52 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 1pyx s LEU 189 Cb -0.24 -0.32 0.04 0.00 0.03 0.00 0.00 46.19 45.70 1pyx s LEU 189 CO 0.30 0.07 0.16 -0.62 0.23 0.00 0.00 176.35 176.49 1pyx s ASP 190 N -0.12 5.54 0.25 2.29 -1.08 -0.47 -1.01 116.67 122.07 1pyx s ASP 190 Ca 0.02 -1.09 -0.04 0.00 -0.52 0.00 0.00 52.55 50.92 1pyx s ASP 190 Cb -0.03 -1.95 0.46 0.00 -1.46 0.00 0.00 42.92 39.95 1pyx s ASP 190 CO -0.00 -0.36 1.72 -0.65 0.52 0.00 0.00 175.17 176.39 1pyx h PRO 191 N 8.33 0.40 0.00 4.34 0.11 -1.96 0.25 132.00 143.48 1pyx h PRO 191 Ca -0.24 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.62 1pyx h PRO 191 Cb 1.09 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1pyx h PRO 191 CO 0.64 0.26 -0.93 -0.44 -0.21 0.00 0.00 178.00 177.32 1pyx h ASP 192 N 0.41 0.46 0.19 -2.05 3.32 -1.98 -3.31 116.42 113.46 1pyx h ASP 192 Ca 0.42 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1pyx h ASP 192 Cb 0.65 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1pyx h ASP 192 CO -0.42 1.17 -1.19 0.35 -1.72 0.00 0.00 179.24 177.43 1pyx n THR 193 N -3.72 0.07 -1.39 0.35 -2.24 -1.14 -4.96 114.28 101.25 1pyx n THR 193 Ca -0.06 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1pyx n THR 193 Cb 0.83 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 1pyx n THR 193 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pyx n ALA 194 N -1.78 -0.20 -2.35 6.98 0.00 0.87 -4.20 120.51 119.83 1pyx n ALA 194 Ca 0.02 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 1pyx n ALA 194 Cb 0.42 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 1pyx n ALA 194 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pyx s VAL 195 N -2.47 4.60 -0.05 0.00 1.01 -1.19 -4.80 120.40 117.50 1pyx s VAL 195 Ca 0.00 1.96 0.03 0.00 0.00 0.00 0.00 61.98 63.97 1pyx s VAL 195 Cb 0.00 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1pyx s VAL 195 CO 0.00 0.31 -0.13 -0.22 0.00 0.00 0.00 175.10 175.06 1pyx s LEU 196 N 0.10 2.81 -0.08 3.92 0.20 -1.26 -1.37 118.68 123.00 1pyx s LEU 196 Ca 0.45 -0.18 -0.01 0.00 0.69 0.00 0.00 54.13 55.09 1pyx s LEU 196 Cb -0.22 -1.58 0.03 0.00 -0.43 0.00 0.00 46.19 43.98 1pyx s LEU 196 CO 0.28 0.34 -0.03 -0.54 -0.29 0.00 0.00 176.35 176.11 1pyx s LYS 197 N -0.81 0.98 0.29 1.98 1.02 0.53 -4.40 119.74 119.34 1pyx s LYS 197 Ca 0.12 -0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 1pyx s LYS 197 Cb -0.11 -1.19 -0.10 0.00 -0.52 0.00 0.00 37.83 35.91 1pyx s LYS 197 CO 0.01 -0.27 1.27 -1.17 -0.92 0.00 0.00 175.35 174.28 1pyx s LEU 198 N 1.77 4.45 0.00 3.17 2.96 -0.02 -0.75 118.68 130.26 1pyx s LEU 198 Ca 0.03 2.56 0.06 0.00 -0.22 0.00 0.00 54.13 56.56 1pyx s LEU 198 Cb -0.13 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 1pyx s LEU 198 CO -0.06 -0.47 0.22 0.00 -1.32 0.00 0.00 176.35 174.73 1pyx n ASP 200 N -1.87 -6.42 -2.03 0.00 2.03 -1.26 -4.85 116.55 102.15 1pyx n ASP 200 Ca 0.05 0.40 -0.11 0.00 0.52 0.00 0.00 54.79 55.65 1pyx n ASP 200 Cb 0.50 -4.27 0.25 0.00 -0.72 0.00 0.00 41.12 36.89 1pyx n ASP 200 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1pyx n PHE 201 N -0.36 2.54 0.82 -0.67 3.01 -1.26 -4.47 117.46 117.07 1pyx n PHE 201 Ca 0.09 -1.35 0.10 0.00 1.01 0.00 0.00 57.45 57.30 1pyx n PHE 201 Cb 0.34 -0.75 0.46 0.00 -0.01 0.00 0.00 39.48 39.53 1pyx n PHE 201 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pyx n GLY 202 N -0.41 -1.04 0.03 1.37 0.00 -1.26 -2.38 105.19 101.50 1pyx n GLY 202 Ca 0.45 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.39 1pyx n GLY 202 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pyx n SER 203 N -1.38 0.42 -4.75 1.61 7.64 -1.26 -4.92 113.62 110.98 1pyx n SER 203 Ca 0.07 -0.71 -0.35 0.00 1.01 0.00 0.00 58.87 58.89 1pyx n SER 203 Cb 0.19 0.69 0.04 0.00 -1.01 0.00 0.00 64.21 64.12 1pyx n SER 203 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pyx s ALA 204 N -0.86 2.48 -0.16 -0.43 0.00 -0.91 -4.64 121.76 117.25 1pyx s ALA 204 Ca 0.01 0.95 -0.28 0.00 0.00 0.00 0.00 51.96 52.64 1pyx s ALA 204 Cb 0.01 -3.44 0.08 0.00 0.00 0.00 0.00 23.12 19.77 1pyx s ALA 204 CO 0.06 -1.26 0.76 0.21 0.00 0.00 0.00 175.76 175.53 1pyx s LYS 205 N -3.47 0.88 -0.26 0.00 2.20 -0.37 -4.89 119.74 113.84 1pyx s LYS 205 Ca 0.76 0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 56.61 1pyx s LYS 205 Cb -0.29 0.42 -0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1pyx s LYS 205 CO 0.35 -0.21 1.29 -1.14 -0.36 0.00 0.00 175.35 175.28 1pyx s GLN 206 N -0.52 4.02 -0.24 4.03 0.74 -1.26 -1.32 119.66 125.10 1pyx s GLN 206 Ca -0.05 1.38 -0.25 0.00 0.05 0.00 0.00 55.36 56.49 1pyx s GLN 206 Cb -0.02 -3.84 -0.00 0.00 1.10 0.00 0.00 33.01 30.25 1pyx s GLN 206 CO 0.05 -0.98 0.85 -0.51 -0.55 0.00 0.00 175.29 174.14 1pyx s LEU 207 N 4.09 4.08 -0.19 3.68 1.43 0.29 -4.96 118.68 127.10 1pyx s LEU 207 Ca 0.56 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.64 1pyx s LEU 207 Cb -0.18 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 1pyx s LEU 207 CO 0.20 -0.53 0.04 -0.69 0.23 0.00 0.00 176.35 175.60 1pyx s VAL 208 N 2.88 4.46 0.36 -1.59 1.01 -1.26 -4.91 120.40 121.34 1pyx s VAL 208 Ca 0.36 -0.14 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 1pyx s VAL 208 Cb -0.15 -3.02 -0.12 0.00 0.00 0.00 0.00 36.38 33.09 1pyx s VAL 208 CO 0.07 0.43 1.31 -1.14 0.00 0.00 0.00 175.10 175.78 1pyx n ARG 209 N 3.91 2.16 0.00 2.72 0.63 -1.26 -1.18 116.66 123.63 1pyx n ARG 209 Ca -0.17 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 1pyx n ARG 209 Cb 0.52 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.05 1pyx n ARG 209 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pyx n GLY 210 N 0.74 2.98 3.85 5.14 0.00 -1.26 -5.01 105.19 111.63 1pyx n GLY 210 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1pyx n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pyx s GLU 211 N -0.40 3.85 0.28 1.61 2.02 -0.32 -5.08 118.70 120.66 1pyx s GLU 211 Ca 0.00 0.31 -0.11 0.00 0.02 0.00 0.00 54.97 55.19 1pyx s GLU 211 Cb 0.00 -3.06 -0.08 0.00 0.10 0.00 0.00 34.13 31.09 1pyx s GLU 211 CO 0.00 0.59 0.63 -1.25 0.02 0.00 0.00 175.26 175.25 1pyx s PRO 212 N -1.63 3.86 0.06 0.39 0.04 -1.26 -4.76 135.00 131.70 1pyx s PRO 212 Ca 0.31 0.41 0.04 0.00 0.04 0.00 0.00 61.00 61.80 1pyx s PRO 212 Cb -0.15 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 1pyx s PRO 212 CO 0.17 0.23 -0.12 -0.80 0.04 0.00 0.00 177.00 176.52 1pyx s ASN 213 N -2.42 1.43 0.45 6.66 0.01 0.47 -5.03 114.94 116.52 1pyx s ASN 213 Ca 0.50 -0.58 -0.25 0.00 -0.71 0.00 0.00 52.86 51.82 1pyx s ASN 213 Cb -0.11 -0.03 -0.08 0.00 0.41 0.00 0.00 41.25 41.45 1pyx s ASN 213 CO 0.21 -0.10 1.36 0.68 -1.51 0.00 0.00 177.10 177.73 1pyx s VAL 214 N -1.26 2.32 -2.72 1.60 -7.23 -1.26 -4.48 120.40 107.36 1pyx s VAL 214 Ca -0.04 0.27 0.24 0.00 -1.81 0.00 0.00 61.98 60.64 1pyx s VAL 214 Cb -0.10 -3.16 0.32 0.00 0.56 0.00 0.00 36.38 34.01 1pyx s VAL 214 CO 0.02 0.03 1.36 -1.54 -0.31 0.00 0.00 175.10 174.65 1pyx n SER 215 N -0.25 3.10 -1.26 4.85 3.41 -1.26 -4.30 113.62 117.90 1pyx n SER 215 Ca 0.06 -1.97 0.08 0.00 -0.26 0.00 0.00 58.87 56.78 1pyx n SER 215 Cb 0.43 -0.12 0.28 0.00 -0.26 0.00 0.00 64.21 64.54 1pyx n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pyx n TYR 216 N 1.33 1.10 -2.24 7.33 0.18 -1.26 -4.82 117.16 118.79 1pyx n TYR 216 Ca 0.17 -0.45 -0.25 0.00 1.88 0.00 0.00 57.90 59.24 1pyx n TYR 216 Cb 0.58 -0.17 0.07 0.00 -0.38 0.00 0.00 39.34 39.44 1pyx n TYR 216 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 1pyx s ILE 217 N -1.69 2.30 0.00 -3.48 -5.25 -1.26 -4.98 121.20 106.84 1pyx s ILE 217 Ca 0.40 -0.31 0.00 0.00 -0.99 0.00 0.00 60.65 59.75 1pyx s ILE 217 Cb 0.25 -2.99 0.00 0.00 2.95 0.00 0.00 42.46 42.66 1pyx s ILE 217 CO 0.20 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 173.35 1pyx s SER 219 N -0.94 6.56 0.00 0.00 0.01 -1.26 -4.78 113.70 113.28 1pyx s SER 219 Ca 0.00 2.86 0.00 0.00 1.31 0.00 0.00 55.95 60.12 1pyx s SER 219 Cb 0.00 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1pyx s SER 219 CO 0.00 -0.70 0.02 -2.11 0.41 0.00 0.00 173.24 170.85 1pyx n ARG 220 N 0.62 0.00 0.30 12.44 -4.01 -1.26 -1.28 116.66 123.46 1pyx n ARG 220 Ca 0.01 0.02 0.18 0.00 -1.04 0.00 0.00 57.85 57.02 1pyx n ARG 220 Cb 0.41 -0.03 0.96 0.00 -3.04 0.00 0.00 32.46 30.75 1pyx n ARG 220 CO 0.00 0.00 0.00 1.88 -3.04 0.00 0.00 177.63 176.47 1pyx h TYR 221 N 0.00 0.00 -0.30 2.89 0.99 -1.89 -2.82 116.97 115.84 1pyx h TYR 221 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1pyx h TYR 221 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 1pyx h TYR 221 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.82 1pyx n TYR 222 N -3.21 0.38 -2.39 4.88 4.01 -0.41 -4.61 117.16 115.82 1pyx n TYR 222 Ca -0.01 -0.23 -0.42 0.00 -0.16 0.00 0.00 57.90 57.08 1pyx n TYR 222 Cb 0.27 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1pyx n TYR 222 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1pyx s ARG 223 N -1.36 4.45 0.60 -0.72 0.52 -1.07 -3.89 118.95 117.49 1pyx s ARG 223 Ca 0.32 1.83 -0.18 0.00 -0.52 0.00 0.00 55.73 57.17 1pyx s ARG 223 Cb 0.19 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 1pyx s ARG 223 CO 0.26 -0.19 1.18 0.00 0.02 0.00 0.00 175.30 176.57 1pyx s ALA 224 N 0.60 2.53 0.32 2.13 0.00 -1.26 -4.83 121.76 121.25 1pyx s ALA 224 Ca 0.57 0.90 0.06 0.00 0.00 0.00 0.00 51.96 53.48 1pyx s ALA 224 Cb -0.31 -3.42 0.71 0.00 0.00 0.00 0.00 23.12 20.10 1pyx s ALA 224 CO 0.32 -1.14 1.83 -1.35 0.00 0.00 0.00 175.76 175.42 1pyx h PRO 225 N 0.76 0.80 0.00 0.00 0.11 -1.94 0.40 132.00 132.12 1pyx h PRO 225 Ca -0.50 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1pyx h PRO 225 Cb 1.28 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pyx h PRO 225 CO 0.55 0.53 -0.13 1.05 -0.21 0.00 0.00 178.00 179.79 1pyx h GLU 226 N 0.82 0.00 -0.10 1.05 9.09 -1.90 0.69 114.58 124.23 1pyx h GLU 226 Ca 0.51 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.72 1pyx h GLU 226 Cb 0.70 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.81 1pyx h GLU 226 CO -0.27 0.13 -0.68 -0.07 0.05 0.00 0.00 179.01 178.16 1pyx h LEU 227 N 0.00 0.78 -0.99 3.06 4.07 -1.25 0.28 115.31 121.27 1pyx h LEU 227 Ca -0.00 -0.66 -0.04 0.00 0.08 0.00 0.00 57.88 57.26 1pyx h LEU 227 Cb 0.28 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1pyx h LEU 227 CO 0.02 1.32 0.28 0.40 -1.08 0.00 0.00 178.44 179.37 1pyx h ILE 228 N 0.30 1.23 0.00 1.22 2.04 -0.72 -0.66 117.51 120.93 1pyx h ILE 228 Ca -0.06 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1pyx h ILE 228 Cb 1.33 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1pyx h ILE 228 CO 0.14 0.29 0.00 0.49 0.00 0.00 0.00 178.15 179.07 1pyx n PHE 229 N -4.30 0.00 -1.50 1.37 3.72 0.11 -4.88 117.46 111.97 1pyx n PHE 229 Ca 0.06 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.42 1pyx n PHE 229 Cb 0.17 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.70 1pyx n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pyx n GLY 230 N 0.49 0.51 3.73 1.37 0.00 -0.26 -4.64 105.19 106.39 1pyx n GLY 230 Ca 0.12 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 1pyx n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyx s ALA 231 N -2.19 2.34 0.00 4.61 0.00 0.97 -4.87 121.76 122.63 1pyx s ALA 231 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1pyx s ALA 231 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1pyx s ALA 231 CO 0.00 -1.63 0.11 2.41 0.00 0.00 0.00 175.76 176.65 1pyx n THR 232 N -2.00 0.00 -1.77 0.00 -1.04 -1.26 -4.35 114.28 103.86 1pyx n THR 232 Ca 0.16 -0.43 -0.19 0.00 -2.04 0.00 0.00 64.05 61.54 1pyx n THR 232 Cb 0.48 1.03 0.08 0.00 -1.82 0.00 0.00 70.33 70.11 1pyx n THR 232 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1pyx n ASP 233 N -0.65 4.58 -4.85 8.00 3.85 -1.26 -0.39 116.55 125.82 1pyx n ASP 233 Ca 0.00 -3.78 -0.31 0.00 -0.71 0.00 0.00 54.79 49.99 1pyx n ASP 233 Cb 0.01 -0.51 0.03 0.00 -1.35 0.00 0.00 41.12 39.30 1pyx n ASP 233 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 1pyx s TYR 234 N -3.54 3.39 0.10 2.11 -0.85 -1.26 -5.07 117.35 112.23 1pyx s TYR 234 Ca 0.51 1.33 0.01 0.00 -0.52 0.00 0.00 57.07 58.39 1pyx s TYR 234 Cb 0.42 -2.81 0.01 0.00 0.38 0.00 0.00 41.96 39.96 1pyx s TYR 234 CO 0.01 -0.96 0.08 0.25 -1.52 0.00 0.00 175.55 173.42 1pyx n THR 235 N -2.93 0.00 0.32 -3.49 -2.24 -1.26 -4.99 114.28 99.69 1pyx n THR 235 Ca 0.07 -0.41 0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1pyx n THR 235 Cb 0.54 -0.44 0.43 0.00 -2.10 0.00 0.00 70.33 68.76 1pyx n THR 235 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1pyx n SER 236 N -2.03 0.45 0.00 3.42 7.64 -1.26 -2.35 113.62 119.49 1pyx n SER 236 Ca -0.00 0.64 0.04 0.00 1.01 0.00 0.00 58.87 60.56 1pyx n SER 236 Cb 0.12 -0.73 0.19 0.00 -1.01 0.00 0.00 64.21 62.78 1pyx n SER 236 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1pyx n SER 237 N -2.03 0.00 0.19 6.43 3.41 -1.26 -1.17 113.62 119.19 1pyx n SER 237 Ca 0.01 0.36 0.05 0.00 -0.26 0.00 0.00 58.87 59.03 1pyx n SER 237 Cb 0.15 -0.41 0.35 0.00 -0.26 0.00 0.00 64.21 64.03 1pyx n SER 237 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1pyx h ILE 238 N 0.00 0.99 -0.02 -1.33 3.07 -1.86 -2.21 117.51 116.16 1pyx h ILE 238 Ca 0.00 -1.48 -0.10 0.00 1.55 0.00 0.00 64.86 64.83 1pyx h ILE 238 Cb 0.11 1.87 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 1pyx h ILE 238 CO 0.00 0.38 -0.44 0.44 -1.05 0.00 0.00 178.15 177.48 1pyx h ASP 239 N 0.00 0.04 -0.26 2.16 3.32 -1.40 -2.42 116.42 117.86 1pyx h ASP 239 Ca -0.00 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 1pyx h ASP 239 Cb 0.84 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1pyx h ASP 239 CO 0.05 0.48 -0.43 0.58 -1.72 0.00 0.00 179.24 178.20 1pyx h VAL 240 N 0.03 1.30 -0.34 -1.35 2.07 -1.50 -0.36 116.25 116.10 1pyx h VAL 240 Ca -0.00 -1.63 0.04 0.00 0.82 0.00 0.00 66.70 65.92 1pyx h VAL 240 Cb 0.79 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1pyx h VAL 240 CO 0.06 0.52 0.12 -0.25 0.02 0.00 0.00 177.57 178.04 1pyx h TRP 241 N 0.48 0.22 -0.58 1.57 2.91 -1.30 0.08 115.95 119.32 1pyx h TRP 241 Ca 0.02 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.09 1pyx h TRP 241 Cb 1.03 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.59 1pyx h TRP 241 CO 0.08 0.09 0.34 0.77 -1.03 0.00 0.00 178.44 178.69 1pyx h SER 242 N 0.27 0.53 -0.73 2.65 0.02 -1.28 -0.46 113.55 114.54 1pyx h SER 242 Ca 0.15 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1pyx h SER 242 Cb 0.12 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1pyx h SER 242 CO -0.15 0.36 0.46 0.00 -1.14 0.00 0.00 176.83 176.36 1pyx h ALA 243 N 1.28 1.43 -0.45 3.77 0.00 -0.43 0.08 119.26 124.93 1pyx h ALA 243 Ca 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1pyx h ALA 243 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1pyx h ALA 243 CO -0.13 0.51 0.00 0.78 0.00 0.00 0.00 179.25 180.41 1pyx h GLY 244 N 1.02 0.78 1.81 0.00 0.00 0.21 -1.16 103.07 105.74 1pyx h GLY 244 Ca 0.27 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1pyx h GLY 244 CO -0.05 0.47 -0.40 0.00 0.00 0.00 0.00 176.54 176.56 1pyx h VAL 246 N 0.18 1.33 0.39 0.00 2.07 -0.55 -1.53 116.25 118.15 1pyx h VAL 246 Ca 0.02 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1pyx h VAL 246 Cb 0.79 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1pyx h VAL 246 CO 0.06 0.32 -0.42 0.25 0.02 0.00 0.00 177.57 177.81 1pyx h LEU 247 N -0.12 -1.15 -0.87 2.57 5.85 -1.08 -0.32 115.31 120.20 1pyx h LEU 247 Ca 0.02 0.10 0.18 0.00 0.84 0.00 0.00 57.88 59.02 1pyx h LEU 247 Cb 0.55 0.39 -0.11 0.00 0.37 0.00 0.00 40.66 41.86 1pyx h LEU 247 CO 0.02 -0.57 0.43 0.00 -0.34 0.00 0.00 178.44 177.98 1pyx h ALA 248 N -0.49 1.35 -0.39 1.25 0.00 -1.26 -0.31 119.26 119.41 1pyx h ALA 248 Ca -0.03 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1pyx h ALA 248 Cb 0.75 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1pyx h ALA 248 CO -0.08 -0.18 -0.15 1.49 0.00 0.00 0.00 179.25 180.33 1pyx h GLU 249 N 0.54 0.70 -0.02 0.00 4.81 -0.84 0.14 114.58 119.91 1pyx h GLU 249 Ca 0.50 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1pyx h GLU 249 Cb 0.81 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1pyx h GLU 249 CO -0.42 0.82 -0.47 -0.07 -0.73 0.00 0.00 179.01 178.13 1pyx h LEU 250 N 0.63 0.06 0.25 1.64 4.07 0.56 0.31 115.31 122.83 1pyx h LEU 250 Ca 0.10 -0.03 -0.34 0.00 0.08 0.00 0.00 57.88 57.70 1pyx h LEU 250 Cb 0.61 -0.02 0.03 0.00 1.08 0.00 0.00 40.66 42.37 1pyx h LEU 250 CO 0.04 0.53 -1.52 -0.07 -1.08 0.00 0.00 178.44 176.33 1pyx h LEU 251 N 0.05 0.82 0.10 1.67 3.38 -0.75 -3.38 115.31 117.19 1pyx h LEU 251 Ca -0.00 -0.91 -0.27 0.00 0.09 0.00 0.00 57.88 56.79 1pyx h LEU 251 Cb 0.86 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1pyx h LEU 251 CO 0.06 1.72 -1.26 -0.07 0.09 0.00 0.00 178.44 178.99 1pyx h LEU 252 N 0.14 0.32 0.00 1.67 3.38 -0.67 -3.45 115.31 116.70 1pyx h LEU 252 Ca -0.27 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1pyx h LEU 252 Cb 2.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1pyx h LEU 252 CO 0.26 1.29 0.00 0.61 0.09 0.00 0.00 178.44 180.69 1pyx n GLY 253 N 1.52 0.53 3.57 0.83 0.00 0.09 -5.01 105.19 106.72 1pyx n GLY 253 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1pyx n GLY 253 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pyx s GLN 254 N -0.92 1.45 0.39 1.61 -2.07 -1.19 -4.81 119.66 114.13 1pyx s GLN 254 Ca 0.00 -0.67 -0.27 0.00 -1.82 0.00 0.00 55.36 52.60 1pyx s GLN 254 Cb 0.00 0.59 -0.11 0.00 -1.09 0.00 0.00 33.01 32.41 1pyx s GLN 254 CO 0.00 -0.65 1.42 -2.30 -1.32 0.00 0.00 175.29 172.44 1pyx n PRO 255 N -0.40 2.41 0.06 9.60 -0.02 -1.26 -4.28 135.00 141.11 1pyx n PRO 255 Ca -0.12 0.85 -0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1pyx n PRO 255 Cb 0.63 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 1pyx n PRO 255 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1pyx h ILE 256 N 2.64 1.43 -2.22 4.25 2.10 -1.89 -3.39 117.51 120.43 1pyx h ILE 256 Ca -0.50 -3.12 -0.59 0.00 1.08 0.00 0.00 64.86 61.74 1pyx h ILE 256 Cb 1.26 2.80 -0.42 0.00 -1.09 0.00 0.00 36.82 39.37 1pyx h ILE 256 CO 0.63 0.86 -0.66 0.49 -1.08 0.00 0.00 178.15 178.38 1pyx n PHE 257 N -3.37 3.53 -1.32 2.19 3.72 -1.26 -4.87 117.46 116.07 1pyx n PHE 257 Ca -0.08 -4.04 -0.29 0.00 -0.05 0.00 0.00 57.45 52.99 1pyx n PHE 257 Cb 1.00 -0.51 0.16 0.00 -0.94 0.00 0.00 39.48 39.18 1pyx n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1pyx s PRO 258 N -2.91 0.76 0.00 -1.08 0.04 -1.26 -4.60 135.00 125.95 1pyx s PRO 258 Ca 0.44 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1pyx s PRO 258 Cb 0.22 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1pyx s PRO 258 CO -0.08 -2.49 0.00 0.41 0.04 0.00 0.00 177.00 174.88 1pyx n GLY 259 N -1.55 4.33 0.17 0.56 0.00 -1.26 -4.13 105.19 103.30 1pyx n GLY 259 Ca 0.06 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.65 1pyx n GLY 259 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pyx h ASP 260 N 0.00 0.00 -2.82 1.61 3.45 -1.97 -3.45 116.42 113.25 1pyx h ASP 260 Ca 0.00 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.95 1pyx h ASP 260 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 1pyx h ASP 260 CO 0.00 0.15 -0.70 -0.94 -1.57 0.00 0.00 179.24 176.18 1pyx s SER 261 N -6.00 2.91 0.28 6.45 1.04 -1.26 -5.02 113.70 112.09 1pyx s SER 261 Ca 0.04 -1.12 -0.04 0.00 0.48 0.00 0.00 55.95 55.30 1pyx s SER 261 Cb 0.07 -0.19 0.36 0.00 0.10 0.00 0.00 66.02 66.36 1pyx s SER 261 CO 0.73 -0.23 1.94 1.23 0.98 0.00 0.00 173.24 177.89 1pyx h GLY 262 N 2.33 1.30 0.80 7.32 0.00 -1.96 -1.98 103.07 110.87 1pyx h GLY 262 Ca -0.40 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 46.50 1pyx h GLY 262 CO 0.65 0.46 0.39 -2.08 0.00 0.00 0.00 176.54 175.96 1pyx h VAL 263 N 1.23 1.04 -0.74 4.60 2.07 -1.96 0.17 116.25 122.65 1pyx h VAL 263 Ca 0.34 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1pyx h VAL 263 Cb -0.11 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 1pyx h VAL 263 CO -0.08 0.14 0.30 0.44 0.02 0.00 0.00 177.57 178.38 1pyx h ASP 264 N 0.74 1.02 -0.43 0.57 3.32 -1.75 -0.97 116.42 118.93 1pyx h ASP 264 Ca 0.27 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1pyx h ASP 264 Cb 0.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1pyx h ASP 264 CO -0.13 0.91 0.17 1.56 -1.72 0.00 0.00 179.24 180.03 1pyx h GLN 265 N 1.07 0.65 -0.96 3.56 4.20 -0.81 -1.08 115.11 121.74 1pyx h GLN 265 Ca 0.25 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1pyx h GLN 265 Cb 0.21 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1pyx h GLN 265 CO -0.02 0.61 0.59 -0.07 -0.67 0.00 0.00 178.83 179.27 1pyx h LEU 266 N 0.56 1.14 -0.38 1.46 4.07 -0.69 0.69 115.31 122.17 1pyx h LEU 266 Ca 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1pyx h LEU 266 Cb 0.20 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1pyx h LEU 266 CO -0.01 0.87 0.15 0.58 -1.08 0.00 0.00 178.44 178.94 1pyx h VAL 267 N 1.32 1.20 -0.67 1.22 2.07 -0.69 0.11 116.25 120.80 1pyx h VAL 267 Ca 0.35 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1pyx h VAL 267 Cb -0.08 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1pyx h VAL 267 CO -0.07 0.22 0.24 -0.33 0.02 0.00 0.00 177.57 177.65 1pyx h GLU 268 N 0.47 1.01 -0.24 1.57 4.39 -0.60 0.22 114.58 121.40 1pyx h GLU 268 Ca 0.13 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1pyx h GLU 268 Cb 0.20 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1pyx h GLU 268 CO -0.01 0.85 0.09 0.82 -1.16 0.00 0.00 179.01 179.60 1pyx h ILE 269 N 0.98 1.18 -0.55 3.13 2.04 -0.57 -2.81 117.51 120.91 1pyx h ILE 269 Ca 0.22 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1pyx h ILE 269 Cb 0.24 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1pyx h ILE 269 CO -0.01 0.18 0.16 0.40 0.00 0.00 0.00 178.15 178.88 1pyx h ILE 270 N 0.23 1.22 0.00 -0.67 2.04 -0.33 0.13 117.51 120.13 1pyx h ILE 270 Ca 0.08 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1pyx h ILE 270 Cb 0.20 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1pyx h ILE 270 CO -0.00 0.29 0.00 0.11 0.00 0.00 0.00 178.15 178.55 1pyx h LYS 271 N 0.81 0.00 0.00 2.37 1.57 -0.32 0.32 116.57 121.31 1pyx h LYS 271 Ca 0.18 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.61 1pyx h LYS 271 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1pyx h LYS 271 CO -0.01 0.00 -2.16 0.28 -0.57 0.00 0.00 179.45 176.99 1pyx n VAL 272 N -2.72 1.20 0.20 0.50 0.31 -0.68 -4.15 118.33 112.99 1pyx n VAL 272 Ca -0.01 -0.29 0.12 0.00 -0.01 0.00 0.00 64.34 64.15 1pyx n VAL 272 Cb 0.12 -1.81 0.12 0.00 -0.91 0.00 0.00 33.84 31.35 1pyx n VAL 272 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1pyx h LEU 273 N -0.78 0.00 0.00 7.52 3.38 -0.79 -2.54 115.31 122.11 1pyx h LEU 273 Ca -0.53 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1pyx h LEU 273 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1pyx h LEU 273 CO -0.32 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.82 1pyx n GLY 274 N 1.14 0.21 3.76 0.83 0.00 0.11 -4.39 105.19 106.85 1pyx n GLY 274 Ca 0.03 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1pyx n GLY 274 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pyx s THR 275 N -2.52 2.28 0.38 2.61 2.01 -0.27 -4.61 115.64 115.52 1pyx s THR 275 Ca 0.00 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 1pyx s THR 275 Cb 0.00 -3.16 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 1pyx s THR 275 CO 0.00 0.05 1.35 -2.84 -0.69 0.00 0.00 174.62 172.48 1pyx s PRO 276 N -0.99 4.10 0.93 4.92 0.02 -1.26 -4.99 135.00 137.73 1pyx s PRO 276 Ca 0.58 2.27 -0.12 0.00 0.02 0.00 0.00 61.00 63.75 1pyx s PRO 276 Cb -0.45 -2.89 0.15 0.00 0.02 0.00 0.00 34.50 31.32 1pyx s PRO 276 CO 0.51 -0.42 1.13 0.95 -0.33 0.00 0.00 177.00 178.84 1pyx s THR 277 N -1.19 2.06 0.14 0.99 -4.23 -1.26 -4.78 115.64 107.37 1pyx s THR 277 Ca 0.54 0.02 -0.21 0.00 -1.18 0.00 0.00 61.69 60.86 1pyx s THR 277 Cb -0.40 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 70.74 1pyx s THR 277 CO 0.53 -0.03 1.67 -0.09 -0.54 0.00 0.00 174.62 176.16 1pyx h ARG 278 N -1.57 -0.13 -0.72 3.99 2.43 -2.00 -1.22 114.38 115.15 1pyx h ARG 278 Ca -0.51 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1pyx h ARG 278 Cb 1.33 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.88 1pyx h ARG 278 CO 0.61 -0.09 0.41 1.49 -1.51 0.00 0.00 179.97 180.88 1pyx h GLU 279 N -0.14 1.00 -0.67 0.20 4.81 -2.00 -2.42 114.58 115.36 1pyx h GLU 279 Ca 0.12 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1pyx h GLU 279 Cb 0.32 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1pyx h GLU 279 CO -0.30 0.73 0.36 1.96 -0.73 0.00 0.00 179.01 181.03 1pyx h GLN 280 N 0.99 0.93 -0.33 1.92 4.20 -1.76 -0.46 115.11 120.60 1pyx h GLN 280 Ca 0.26 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1pyx h GLN 280 Cb 0.01 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1pyx h GLN 280 CO -0.04 0.69 -0.04 0.82 -0.67 0.00 0.00 178.83 179.59 1pyx h ILE 281 N 0.94 1.21 -0.00 2.54 2.04 -0.78 -2.22 117.51 121.24 1pyx h ILE 281 Ca 0.24 -0.86 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 1pyx h ILE 281 Cb 0.04 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1pyx h ILE 281 CO -0.04 0.29 -0.47 -0.09 0.00 0.00 0.00 178.15 177.85 1pyx h ARG 282 N 0.50 0.00 -0.27 2.37 2.43 -0.72 -0.04 114.38 118.65 1pyx h ARG 282 Ca 0.10 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.09 1pyx h ARG 282 Cb 0.38 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1pyx h ARG 282 CO 0.02 0.47 -0.55 0.93 -1.51 0.00 0.00 179.97 179.32 1pyx h GLU 283 N 0.00 0.83 -0.22 0.20 4.39 -0.70 -2.79 114.58 116.30 1pyx h GLU 283 Ca -0.00 -0.53 -0.18 0.00 0.34 0.00 0.00 59.36 58.99 1pyx h GLU 283 Cb 0.82 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1pyx h GLU 283 CO 0.06 1.16 -0.59 0.52 -1.16 0.00 0.00 179.01 179.00 1pyx h MET 284 N 0.63 0.71 0.00 2.33 2.86 -1.36 -3.44 114.93 116.67 1pyx h MET 284 Ca 0.01 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1pyx h MET 284 Cb 1.15 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1pyx h MET 284 CO 0.12 1.10 0.00 -1.71 1.06 0.00 0.00 176.91 177.48 1pyx n ASN 285 N -3.97 0.00 0.00 1.22 5.15 -0.04 -4.71 115.26 112.92 1pyx n ASN 285 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1pyx n ASN 285 Cb 0.64 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 1pyx n ASN 285 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1pyx n PRO 286 N 0.19 0.00 0.00 1.20 -0.02 -1.26 -4.67 135.00 130.43 1pyx n PRO 286 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1pyx n PRO 286 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1pyx n PRO 286 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pyx n PHE 291 N 0.00 0.00 -3.08 6.00 7.35 -1.26 -5.13 117.46 121.34 1pyx n PHE 291 Ca 0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.41 1pyx n PHE 291 Cb 0.00 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.78 1pyx n PHE 291 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pyx n LYS 292 N 0.00 3.18 -4.62 -4.13 4.76 -1.26 -5.05 118.16 111.05 1pyx n LYS 292 Ca 0.00 -4.79 -0.34 0.00 -2.87 0.00 0.00 58.31 50.32 1pyx n LYS 292 Cb 0.00 -2.27 -0.11 0.00 -1.84 0.00 0.00 35.03 30.81 1pyx n LYS 292 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1pyx s PHE 293 N -3.18 2.94 0.38 2.13 0.40 -1.26 -5.09 117.98 114.31 1pyx s PHE 293 Ca 0.45 0.02 -0.26 0.00 -0.60 0.00 0.00 56.93 56.54 1pyx s PHE 293 Cb 0.22 -1.72 -0.12 0.00 0.51 0.00 0.00 43.02 41.92 1pyx s PHE 293 CO -0.09 0.33 1.05 -2.30 0.70 0.00 0.00 175.22 174.91 1pyx n PRO 294 N 2.25 1.47 -2.61 0.24 -0.02 -1.26 -4.89 135.00 130.18 1pyx n PRO 294 Ca -0.18 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.40 1pyx n PRO 294 Cb 0.53 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1pyx n PRO 294 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1pyx s GLN 295 N -1.89 3.64 -0.05 -0.52 0.74 -1.26 -4.84 119.66 115.48 1pyx s GLN 295 Ca 0.61 0.43 0.05 0.00 0.05 0.00 0.00 55.36 56.50 1pyx s GLN 295 Cb -0.59 -3.94 -0.02 0.00 1.10 0.00 0.00 33.01 29.56 1pyx s GLN 295 CO 0.58 -1.47 -0.18 0.42 -0.55 0.00 0.00 175.29 174.09 1pyx s ILE 296 N 4.56 2.70 0.41 -2.34 1.01 -1.26 -5.00 121.20 121.28 1pyx s ILE 296 Ca 0.46 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 1pyx s ILE 296 Cb -0.07 -2.03 -0.08 0.00 0.01 0.00 0.00 42.46 40.28 1pyx s ILE 296 CO 0.30 0.58 0.84 -0.54 0.00 0.00 0.00 174.94 176.12 1pyx s LYS 297 N -0.53 3.97 0.35 2.79 1.02 -1.26 -1.11 119.74 124.96 1pyx s LYS 297 Ca 0.07 0.76 -0.28 0.00 0.02 0.00 0.00 55.97 56.53 1pyx s LYS 297 Cb -0.11 -2.31 -0.12 0.00 -0.52 0.00 0.00 37.83 34.77 1pyx s LYS 297 CO 0.01 -0.03 1.43 0.00 -0.92 0.00 0.00 175.35 175.84 1pyx n ALA 298 N -0.96 1.95 -2.70 5.17 0.00 -1.26 -4.51 120.51 118.21 1pyx n ALA 298 Ca 0.05 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.44 1pyx n ALA 298 Cb 0.54 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 1pyx n ALA 298 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1pyx s HIS 299 N -0.92 3.49 -0.30 0.00 2.46 -0.96 -4.93 115.29 114.14 1pyx s HIS 299 Ca 0.56 1.09 -0.34 0.00 0.47 0.00 0.00 55.06 56.84 1pyx s HIS 299 Cb -0.52 -2.77 -0.10 0.00 -0.13 0.00 0.00 32.58 29.05 1pyx s HIS 299 CO 0.61 -0.00 2.15 -2.30 -2.47 0.00 0.00 174.74 172.72 1pyx n PRO 300 N 4.26 1.35 -0.31 2.88 -0.02 -1.26 -4.79 135.00 137.11 1pyx n PRO 300 Ca -0.02 0.39 0.25 0.00 -2.02 0.00 0.00 63.50 62.10 1pyx n PRO 300 Cb 0.51 -2.61 0.47 0.00 -0.02 0.00 0.00 33.50 31.85 1pyx n PRO 300 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1pyx n TRP 301 N 9.74 0.95 -0.09 6.00 7.02 -1.26 0.69 117.44 140.49 1pyx n TRP 301 Ca 0.37 1.12 0.07 0.00 -1.02 0.00 0.00 57.50 58.03 1pyx n TRP 301 Cb 0.27 -1.42 0.41 0.00 -2.42 0.00 0.00 31.31 28.15 1pyx n TRP 301 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1pyx h THR 302 N 0.00 1.03 0.00 -0.99 2.02 -1.95 0.49 112.91 113.52 1pyx h THR 302 Ca 0.73 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.70 1pyx h THR 302 Cb 1.83 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1pyx h THR 302 CO -0.77 0.11 0.00 1.17 0.37 0.00 0.00 175.52 176.40 1pyx n LYS 303 N -4.47 0.17 0.08 6.66 3.00 0.22 -3.48 118.16 120.33 1pyx n LYS 303 Ca 0.07 0.19 -0.10 0.00 -0.00 0.00 0.00 58.31 58.48 1pyx n LYS 303 Cb 0.19 -1.72 -0.04 0.00 0.00 0.00 0.00 35.03 33.47 1pyx n LYS 303 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1pyx h VAL 304 N 0.00 1.49 -1.79 3.15 2.07 -0.69 -3.47 116.25 117.01 1pyx h VAL 304 Ca 0.00 -2.69 -0.45 0.00 0.82 0.00 0.00 66.70 64.38 1pyx h VAL 304 Cb 0.58 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1pyx h VAL 304 CO 0.00 0.79 -0.37 -0.36 0.02 0.00 0.00 177.57 177.65 1pyx s PHE 305 N -3.12 3.04 0.89 1.57 0.08 -1.21 -5.05 117.98 114.17 1pyx s PHE 305 Ca -0.03 -0.25 -0.10 0.00 0.12 0.00 0.00 56.93 56.66 1pyx s PHE 305 Cb 0.10 -1.96 0.13 0.00 -0.57 0.00 0.00 43.02 40.71 1pyx s PHE 305 CO 0.84 0.02 1.13 -0.98 -0.10 0.00 0.00 175.22 176.14 1pyx s ARG 306 N -4.13 1.26 0.33 0.44 1.70 -1.26 -4.91 118.95 112.37 1pyx s ARG 306 Ca 0.44 1.45 -0.29 0.00 -0.47 0.00 0.00 55.73 56.87 1pyx s ARG 306 Cb -0.08 -1.76 -0.11 0.00 -0.57 0.00 0.00 34.95 32.43 1pyx s ARG 306 CO 0.30 -2.43 1.45 -2.14 -1.08 0.00 0.00 175.30 171.40 1pyx s PRO 307 N -4.71 4.20 -0.29 3.89 0.02 -1.26 -2.57 135.00 134.28 1pyx s PRO 307 Ca 0.66 2.44 0.00 0.00 0.02 0.00 0.00 61.00 64.11 1pyx s PRO 307 Cb -0.22 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1pyx s PRO 307 CO 0.58 -0.45 0.00 -2.13 -0.33 0.00 0.00 177.00 174.67 1pyx n ARG 308 N 1.16 -0.27 -2.24 5.54 3.00 -1.26 -5.00 116.66 117.59 1pyx n ARG 308 Ca 0.03 0.50 -0.41 0.00 -0.00 0.00 0.00 57.85 57.97 1pyx n ARG 308 Cb 0.40 -4.07 -0.03 0.00 0.00 0.00 0.00 32.46 28.76 1pyx n ARG 308 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1pyx s THR 309 N -2.06 3.15 0.22 5.15 2.01 -1.06 -4.90 115.64 118.13 1pyx s THR 309 Ca 0.00 1.03 -0.32 0.00 0.31 0.00 0.00 61.69 62.71 1pyx s THR 309 Cb 0.00 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.73 1pyx s THR 309 CO 0.00 0.19 1.62 -2.65 -0.69 0.00 0.00 174.62 173.09 1pyx n PRO 310 N 1.89 2.50 -0.30 4.92 -0.02 -1.26 -4.87 135.00 137.87 1pyx n PRO 310 Ca 0.03 0.90 0.06 0.00 -2.02 0.00 0.00 63.50 62.47 1pyx n PRO 310 Cb 0.43 -2.69 0.21 0.00 -0.02 0.00 0.00 33.50 31.43 1pyx n PRO 310 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1pyx h PRO 311 N 5.82 0.66 -0.61 0.52 0.11 -2.00 -0.60 132.00 135.90 1pyx h PRO 311 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1pyx h PRO 311 Cb 1.23 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1pyx h PRO 311 CO 0.88 0.44 0.30 0.93 -0.21 0.00 0.00 178.00 180.34 1pyx h GLU 312 N 0.68 0.86 -0.17 1.05 3.07 -1.97 0.67 114.58 118.78 1pyx h GLU 312 Ca 0.44 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 1pyx h GLU 312 Cb 0.56 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1pyx h GLU 312 CO -0.32 0.67 0.08 0.00 -1.40 0.00 0.00 179.01 178.03 1pyx h ALA 313 N 1.46 0.22 -0.73 3.43 0.00 -1.49 -0.05 119.26 122.11 1pyx h ALA 313 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1pyx h ALA 313 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1pyx h ALA 313 CO -0.03 -0.21 0.42 0.82 0.00 0.00 0.00 179.25 180.25 1pyx h ILE 314 N 0.13 1.21 -0.61 0.00 2.04 -0.88 -1.63 117.51 117.77 1pyx h ILE 314 Ca 0.06 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1pyx h ILE 314 Cb 0.14 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1pyx h ILE 314 CO -0.01 0.22 0.29 0.00 0.00 0.00 0.00 178.15 178.66 1pyx h ALA 315 N 1.22 0.79 -0.07 1.87 0.00 -0.60 -2.04 119.26 120.43 1pyx h ALA 315 Ca 0.26 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pyx h ALA 315 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1pyx h ALA 315 CO -0.05 0.35 -0.05 1.25 0.00 0.00 0.00 179.25 180.76 1pyx h LEU 316 N 0.84 -0.16 -0.46 0.00 6.46 -0.55 -2.60 115.31 118.84 1pyx h LEU 316 Ca 0.21 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 58.10 1pyx h LEU 316 Cb 0.13 0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.06 1pyx h LEU 316 CO -0.03 -0.07 -0.10 0.00 -0.62 0.00 0.00 178.44 177.62 1pyx h SER 318 N 0.01 0.00 0.36 0.00 4.64 -1.01 0.71 113.55 118.26 1pyx h SER 318 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1pyx h SER 318 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1pyx h SER 318 CO -0.46 0.00 -0.44 0.54 -0.87 0.00 0.00 176.83 175.60 1pyx n ARG 319 N -4.00 0.33 -0.13 4.77 5.12 -0.40 -4.16 116.66 118.21 1pyx n ARG 319 Ca -0.01 -0.20 -0.26 0.00 -1.93 0.00 0.00 57.85 55.45 1pyx n ARG 319 Cb 0.20 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 29.91 1pyx n ARG 319 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1pyx n LEU 320 N -1.16 1.94 -3.91 0.55 4.32 -0.33 -1.96 117.00 116.47 1pyx n LEU 320 Ca 0.08 0.36 -0.42 0.00 -0.02 0.00 0.00 56.01 56.00 1pyx n LEU 320 Cb 0.34 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 1pyx n LEU 320 CO 0.32 0.44 2.14 0.18 -1.22 0.00 0.00 177.39 179.24 1pyx n LEU 321 N -4.30 6.52 -4.53 2.23 4.77 0.09 -4.41 117.00 117.37 1pyx n LEU 321 Ca -0.47 -4.44 -0.33 0.00 -0.03 0.00 0.00 56.01 50.74 1pyx n LEU 321 Cb 0.81 -1.56 -0.12 0.00 -2.33 0.00 0.00 43.42 40.22 1pyx n LEU 321 CO 0.07 1.18 -0.42 -1.61 -1.33 0.00 0.00 177.39 175.28 1pyx s GLU 322 N 1.53 2.59 0.09 3.23 0.41 -1.26 -4.86 118.70 120.43 1pyx s GLU 322 Ca 0.43 -0.65 -0.24 0.00 -0.41 0.00 0.00 54.97 54.10 1pyx s GLU 322 Cb 0.10 -2.46 -0.15 0.00 -1.78 0.00 0.00 34.13 29.83 1pyx s GLU 322 CO -0.02 0.64 1.72 1.88 -0.49 0.00 0.00 175.26 178.99 1pyx h TYR 323 N 5.22 -0.12 -2.90 1.61 0.99 -1.96 -3.40 116.97 116.41 1pyx h TYR 323 Ca -0.48 -0.00 -0.57 0.00 2.00 0.00 0.00 58.73 59.68 1pyx h TYR 323 Cb 1.16 0.04 -0.04 0.00 1.00 0.00 0.00 36.73 38.90 1pyx h TYR 323 CO 0.53 -0.07 1.13 0.99 -0.00 0.00 0.00 178.16 180.74 1pyx s THR 324 N -6.17 3.75 0.25 -2.88 2.01 -1.26 -4.66 115.64 106.68 1pyx s THR 324 Ca -0.14 0.81 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 1pyx s THR 324 Cb 0.06 -3.85 0.24 0.00 0.01 0.00 0.00 72.50 68.95 1pyx s THR 324 CO 0.66 -0.44 1.70 -0.65 -0.69 0.00 0.00 174.62 175.19 1pyx h PRO 325 N 11.01 0.32 0.00 4.92 0.11 -1.85 -0.60 132.00 145.91 1pyx h PRO 325 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1pyx h PRO 325 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1pyx h PRO 325 CO 1.03 0.21 0.00 1.79 -0.21 0.00 0.00 178.00 180.82 1pyx h THR 326 N 0.33 0.00 0.00 -1.15 1.35 -1.94 -2.99 112.91 108.50 1pyx h THR 326 Ca 0.44 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1pyx h THR 326 Cb 0.74 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1pyx h THR 326 CO -0.49 0.00 -0.24 0.00 -0.25 0.00 0.00 175.52 174.54 1pyx h ALA 327 N 2.23 0.85 -2.58 6.62 0.00 -1.49 -3.46 119.26 121.43 1pyx h ALA 327 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1pyx h ALA 327 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.33 1pyx h ALA 327 CO 0.00 0.00 0.43 1.03 0.00 0.00 0.00 179.25 180.71 1pyx s ARG 328 N -3.15 3.32 0.77 0.00 0.52 -1.13 -4.96 118.95 114.32 1pyx s ARG 328 Ca 0.08 1.59 -0.13 0.00 -0.52 0.00 0.00 55.73 56.74 1pyx s ARG 328 Cb 0.11 -2.00 0.06 0.00 0.52 0.00 0.00 34.95 33.64 1pyx s ARG 328 CO 0.65 -0.87 1.17 -0.51 0.02 0.00 0.00 175.30 175.76 1pyx s LEU 329 N -3.89 3.19 0.55 2.53 1.43 -0.83 -5.01 118.68 116.66 1pyx s LEU 329 Ca 0.72 2.22 -0.06 0.00 -1.03 0.00 0.00 54.13 55.98 1pyx s LEU 329 Cb -0.23 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.40 1pyx s LEU 329 CO 0.28 -2.35 0.86 0.42 0.23 0.00 0.00 176.35 175.79 1pyx s THR 330 N -2.27 4.17 0.33 5.49 -4.23 -1.26 -4.89 115.64 112.97 1pyx s THR 330 Ca 0.70 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 1pyx s THR 330 Cb -0.25 -3.63 0.22 0.00 1.34 0.00 0.00 72.50 70.18 1pyx s THR 330 CO 0.49 -0.64 1.94 1.55 -0.54 0.00 0.00 174.62 177.42 1pyx h PRO 331 N -0.03 0.81 -0.67 3.99 0.13 -1.93 -0.85 132.00 133.45 1pyx h PRO 331 Ca -0.46 -0.09 -0.07 0.00 -0.87 0.00 0.00 66.00 64.51 1pyx h PRO 331 Cb 1.23 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1pyx h PRO 331 CO 0.61 0.61 0.14 1.25 -0.23 0.00 0.00 178.00 180.38 1pyx h LEU 332 N 0.81 1.04 -1.14 1.56 5.85 -1.93 -0.68 115.31 120.81 1pyx h LEU 332 Ca 0.20 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1pyx h LEU 332 Cb 0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1pyx h LEU 332 CO -0.03 1.01 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.60 1pyx h GLU 333 N 1.03 0.42 -0.32 1.25 5.08 -1.81 -2.70 114.58 117.52 1pyx h GLU 333 Ca 0.21 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1pyx h GLU 333 Cb 0.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1pyx h GLU 333 CO 0.01 0.57 0.07 0.00 -1.00 0.00 0.00 179.01 178.66 1pyx h ALA 334 N 1.46 0.42 -0.45 3.43 0.00 -0.21 -2.18 119.26 121.73 1pyx h ALA 334 Ca 0.07 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1pyx h ALA 334 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pyx h ALA 334 CO 0.03 0.09 0.32 0.00 0.00 0.00 0.00 179.25 179.69 1pyx n ALA 336 N -2.62 2.91 -1.50 0.00 0.00 -0.85 -4.80 120.51 113.64 1pyx n ALA 336 Ca 0.08 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.80 1pyx n ALA 336 Cb 0.51 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.83 1pyx n ALA 336 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1pyx n HIS 337 N -0.69 1.45 0.28 0.00 -0.00 -0.21 -4.89 115.22 111.16 1pyx n HIS 337 Ca 0.14 0.41 0.15 0.00 0.46 0.00 0.00 57.72 58.88 1pyx n HIS 337 Cb 0.32 -2.18 0.85 0.00 -0.12 0.00 0.00 29.99 28.85 1pyx n HIS 337 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1pyx h SER 338 N 0.04 0.00 -0.37 0.26 4.64 -1.92 -2.08 113.55 114.11 1pyx h SER 338 Ca -0.49 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1pyx h SER 338 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1pyx h SER 338 CO 0.50 0.06 0.30 0.15 -0.87 0.00 0.00 176.83 176.97 1pyx h PHE 339 N 0.00 0.00 -0.29 4.77 3.57 -1.90 0.83 116.94 123.92 1pyx h PHE 339 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pyx h PHE 339 Cb 0.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1pyx h PHE 339 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 1pyx n PHE 340 N -4.19 0.37 -0.29 0.41 3.72 -0.78 -4.46 117.46 112.23 1pyx n PHE 340 Ca 0.06 -0.18 0.09 0.00 -0.05 0.00 0.00 57.45 57.36 1pyx n PHE 340 Cb 0.48 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 39.26 1pyx n PHE 340 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1pyx h ASP 341 N 3.83 0.35 -0.31 4.37 3.32 -0.91 0.15 116.42 127.22 1pyx h ASP 341 Ca 0.00 0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.26 1pyx h ASP 341 Cb 0.84 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1pyx h ASP 341 CO 0.00 0.09 0.29 -0.08 -1.72 0.00 0.00 179.24 177.82 1pyx h GLU 342 N 0.47 0.00 0.00 3.56 4.81 -1.79 0.50 114.58 122.13 1pyx h GLU 342 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1pyx h GLU 342 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1pyx h GLU 342 CO -0.44 0.00 0.00 -0.07 -0.73 0.00 0.00 179.01 177.77 1pyx h LEU 343 N 0.00 0.00 -0.16 1.64 3.38 -1.03 -2.86 115.31 116.28 1pyx h LEU 343 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1pyx h LEU 343 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1pyx h LEU 343 CO -0.00 0.00 -0.37 0.54 0.09 0.00 0.00 178.44 178.69 1pyx n ARG 344 N -3.07 0.28 -2.10 1.13 1.74 0.17 -4.88 116.66 109.94 1pyx n ARG 344 Ca 0.02 -0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.53 1pyx n ARG 344 Cb 0.40 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1pyx n ARG 344 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pyx s ASP 345 N -2.82 6.76 0.44 0.55 -1.08 -1.08 -4.88 116.67 114.55 1pyx s ASP 345 Ca 0.16 2.46 0.16 0.00 -0.52 0.00 0.00 52.55 54.81 1pyx s ASP 345 Cb 0.18 -2.60 1.07 0.00 -1.46 0.00 0.00 42.92 40.11 1pyx s ASP 345 CO 0.62 -0.67 1.95 -0.65 0.52 0.00 0.00 175.17 176.95 1pyx h PRO 346 N 6.18 0.37 -0.65 4.34 0.11 -1.90 -2.58 132.00 137.86 1pyx h PRO 346 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1pyx h PRO 346 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pyx h PRO 346 CO 0.84 0.24 0.00 0.09 -0.21 0.00 0.00 178.00 178.96 1pyx n ASN 347 N -4.47 3.53 -4.75 -2.05 3.02 -1.26 -4.96 115.26 104.32 1pyx n ASN 347 Ca 0.12 -2.03 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 1pyx n ASN 347 Cb 0.47 -0.44 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 1pyx n ASN 347 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1pyx s VAL 348 N -1.17 2.26 0.09 2.41 0.11 -0.98 -5.01 120.40 118.12 1pyx s VAL 348 Ca 0.44 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1pyx s VAL 348 Cb 0.23 -3.14 -0.04 0.00 -1.53 0.00 0.00 36.38 31.90 1pyx s VAL 348 CO 0.29 0.04 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.53 1pyx s LYS 349 N -0.48 0.80 0.58 1.54 -0.14 -1.26 -4.51 119.74 116.27 1pyx s LYS 349 Ca 0.62 -1.33 -0.16 0.00 -1.36 0.00 0.00 55.97 53.74 1pyx s LYS 349 Cb -0.46 0.02 -0.04 0.00 -1.68 0.00 0.00 37.83 35.67 1pyx s LYS 349 CO 0.47 -0.11 1.05 -0.51 -0.76 0.00 0.00 175.35 175.49 1pyx s LEU 350 N -3.01 3.51 0.23 3.17 1.43 0.57 -4.91 118.68 119.66 1pyx s LEU 350 Ca 0.13 1.80 -0.07 0.00 -1.03 0.00 0.00 54.13 54.96 1pyx s LEU 350 Cb 0.07 -4.53 0.35 0.00 0.03 0.00 0.00 46.19 42.10 1pyx s LEU 350 CO -0.05 -1.11 1.76 -0.65 0.23 0.00 0.00 176.35 176.54 1pyx h PRO 351 N 0.50 0.51 0.00 1.29 0.11 -1.99 0.14 132.00 132.55 1pyx h PRO 351 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pyx h PRO 351 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pyx h PRO 351 CO 0.58 0.33 0.00 0.27 -0.21 0.00 0.00 178.00 178.97 1pyx n ASN 352 N -4.92 0.00 0.00 -2.05 0.23 -1.26 -4.79 115.26 102.46 1pyx n ASN 352 Ca 0.11 -0.42 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 1pyx n ASN 352 Cb 0.30 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 1pyx n ASN 352 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pyx n GLY 353 N -0.31 3.01 3.70 4.83 0.00 0.49 -5.05 105.19 111.87 1pyx n GLY 353 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1pyx n GLY 353 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyx s ARG 354 N -0.49 0.81 0.67 1.61 0.52 -1.26 -4.64 118.95 116.18 1pyx s ARG 354 Ca 0.00 0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 55.71 1pyx s ARG 354 Cb 0.00 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.70 1pyx s ARG 354 CO 0.00 -2.50 1.06 -0.51 0.02 0.00 0.00 175.30 173.38 1pyx s ASP 355 N -3.48 5.38 0.76 0.23 1.01 -1.26 -0.31 116.67 119.00 1pyx s ASP 355 Ca 0.64 1.71 -0.11 0.00 0.71 0.00 0.00 52.55 55.50 1pyx s ASP 355 Cb -0.18 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.29 1pyx s ASP 355 CO 0.57 -1.44 1.09 0.42 0.21 0.00 0.00 175.17 176.02 1pyx s THR 356 N -2.84 3.26 1.25 -1.27 -4.23 -1.26 -4.59 115.64 105.95 1pyx s THR 356 Ca 0.60 0.41 -0.18 0.00 -1.18 0.00 0.00 61.69 61.34 1pyx s THR 356 Cb -0.15 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.77 1pyx s THR 356 CO 0.50 -0.53 1.03 -2.84 -0.54 0.00 0.00 174.62 172.23 1pyx s PRO 357 N -5.20 -1.56 0.24 3.99 0.02 -1.26 -4.90 135.00 126.32 1pyx s PRO 357 Ca 0.60 0.24 -0.30 0.00 0.02 0.00 0.00 61.00 61.56 1pyx s PRO 357 Cb -0.13 -1.53 -0.10 0.00 0.02 0.00 0.00 34.50 32.76 1pyx s PRO 357 CO 0.54 -4.00 1.47 0.00 -0.33 0.00 0.00 177.00 174.68 1pyx s ALA 358 N -2.65 3.66 0.00 -1.55 0.00 -1.26 -4.87 121.76 115.09 1pyx s ALA 358 Ca 0.69 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1pyx s ALA 358 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1pyx s ALA 358 CO 0.59 -0.76 0.00 1.28 0.00 0.00 0.00 175.76 176.86 1pyx n LEU 359 N 2.59 0.00 0.00 0.00 4.77 -1.26 -4.85 117.00 118.25 1pyx n LEU 359 Ca 0.08 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1pyx n LEU 359 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1pyx n LEU 359 CO 0.61 0.00 0.47 0.49 -1.33 0.00 0.00 177.39 177.63 1pyx n PHE 360 N -0.60 0.00 -1.15 -1.77 3.01 -1.26 -4.79 117.46 110.89 1pyx n PHE 360 Ca 0.00 -0.44 -0.25 0.00 1.01 0.00 0.00 57.45 57.77 1pyx n PHE 360 Cb 0.00 -0.04 -0.10 0.00 -0.01 0.00 0.00 39.48 39.32 1pyx n PHE 360 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1pyx n ASN 361 N -0.44 6.93 -4.73 4.37 6.94 -1.26 -4.92 115.26 122.15 1pyx n ASN 361 Ca 0.00 -2.53 -0.42 0.00 -0.02 0.00 0.00 54.58 51.61 1pyx n ASN 361 Cb 0.24 -1.48 -0.03 0.00 -2.36 0.00 0.00 39.78 36.15 1pyx n ASN 361 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1pyx s PHE 362 N 1.52 3.14 0.62 -2.53 0.40 -1.26 -5.04 117.98 114.83 1pyx s PHE 362 Ca 0.68 0.95 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 1pyx s PHE 362 Cb 0.25 -3.76 0.07 0.00 0.51 0.00 0.00 43.02 40.09 1pyx s PHE 362 CO -0.03 -2.62 0.87 0.95 0.70 0.00 0.00 175.22 175.09 1pyx s THR 363 N 0.61 2.43 0.26 0.64 -4.23 -1.26 -4.97 115.64 109.12 1pyx s THR 363 Ca 0.63 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1pyx s THR 363 Cb -0.40 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 70.71 1pyx s THR 363 CO 0.36 0.00 1.70 0.74 -0.54 0.00 0.00 174.62 176.88 1pyx h THR 364 N -0.18 1.26 0.20 3.99 2.02 -1.98 -2.12 112.91 116.10 1pyx h THR 364 Ca -0.40 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 1pyx h THR 364 Cb 1.29 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1pyx h THR 364 CO 0.48 0.41 -0.10 -0.61 0.37 0.00 0.00 175.52 176.07 1pyx h GLN 365 N 0.50 -0.26 -0.92 6.66 5.75 -2.00 -0.54 115.11 124.31 1pyx h GLN 365 Ca 0.08 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.71 1pyx h GLN 365 Cb 0.66 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.19 1pyx h GLN 365 CO 0.05 -0.10 0.55 0.93 -2.65 0.00 0.00 178.83 177.61 1pyx h GLU 366 N -0.36 0.84 0.00 1.69 5.08 -1.83 -2.12 114.58 117.88 1pyx h GLU 366 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1pyx h GLU 366 Cb 0.28 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1pyx h GLU 366 CO 0.05 0.56 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.26 1pyx h LEU 367 N 0.87 0.00 -2.00 1.33 3.38 -1.25 -3.40 115.31 114.24 1pyx h LEU 367 Ca 0.46 -0.08 0.49 0.00 0.09 0.00 0.00 57.88 58.84 1pyx h LEU 367 Cb 0.48 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1pyx h LEU 367 CO -0.28 0.04 1.21 0.77 0.09 0.00 0.00 178.44 180.27 1pyx h SER 368 N 0.00 0.00 0.72 -0.43 4.64 -0.37 0.26 113.55 118.36 1pyx h SER 368 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1pyx h SER 368 Cb 0.78 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1pyx h SER 368 CO 0.00 -0.00 -0.09 0.77 -0.87 0.00 0.00 176.83 176.64 1pyx h SER 369 N 0.00 0.00 -0.08 4.97 4.64 -1.80 -3.39 113.55 117.89 1pyx h SER 369 Ca 0.80 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 62.04 1pyx h SER 369 Cb 3.21 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 65.16 1pyx h SER 369 CO -0.01 0.09 -0.15 -3.20 -0.87 0.00 0.00 176.83 172.69 1pyx n ASN 370 N -3.31 -1.70 -0.33 4.97 4.05 0.86 -5.06 115.26 114.73 1pyx n ASN 370 Ca -0.01 -1.93 0.22 0.00 0.45 0.00 0.00 54.58 53.32 1pyx n ASN 370 Cb 0.30 0.95 0.42 0.00 1.23 0.00 0.00 39.78 42.69 1pyx n ASN 370 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1pyx n PRO 371 N 1.82 -0.07 0.07 1.20 -0.02 -0.87 -1.51 135.00 135.62 1pyx n PRO 371 Ca 0.05 1.44 0.18 0.00 -2.02 0.00 0.00 63.50 63.15 1pyx n PRO 371 Cb 0.68 -2.42 0.69 0.00 -0.02 0.00 0.00 33.50 32.43 1pyx n PRO 371 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1pyx h PRO 372 N 0.00 0.00 -0.09 0.52 0.11 -1.97 -1.34 132.00 129.22 1pyx h PRO 372 Ca 0.71 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.85 1pyx h PRO 372 Cb 1.69 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.80 1pyx h PRO 372 CO -0.86 0.00 0.19 -0.07 -0.21 0.00 0.00 178.00 177.05 1pyx h LEU 373 N 0.00 0.00 -2.11 2.35 3.38 -1.65 0.77 115.31 118.05 1pyx h LEU 373 Ca 0.19 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1pyx h LEU 373 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1pyx h LEU 373 CO -0.00 0.00 0.31 0.00 0.09 0.00 0.00 178.44 178.84 1pyx h ALA 374 N 1.69 1.92 0.00 1.53 0.00 -1.44 0.20 119.26 123.17 1pyx h ALA 374 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pyx h ALA 374 Cb 0.43 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pyx h ALA 374 CO -0.00 -0.45 -0.03 1.79 0.00 0.00 0.00 179.25 180.55 1pyx h THR 375 N 0.00 0.15 0.00 0.00 1.35 -1.07 -1.45 112.91 111.89 1pyx h THR 375 Ca 0.13 -0.35 -0.31 0.00 -0.55 0.00 0.00 66.41 65.33 1pyx h THR 375 Cb 0.75 1.30 -0.06 0.00 -1.73 0.00 0.00 68.15 68.41 1pyx h THR 375 CO -0.00 0.03 -2.18 -0.38 -0.25 0.00 0.00 175.52 172.74 1pyx n ILE 376 N -3.23 1.18 -0.03 6.82 5.41 0.46 -4.66 119.36 125.31 1pyx n ILE 376 Ca -0.01 -0.54 -0.11 0.00 1.00 0.00 0.00 62.75 63.08 1pyx n ILE 376 Cb 0.21 -1.02 0.03 0.00 -0.71 0.00 0.00 39.64 38.15 1pyx n ILE 376 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1pyx h LEU 377 N 0.00 0.74 -8.05 1.39 3.38 -0.64 -3.39 115.31 108.74 1pyx h LEU 377 Ca -0.46 -0.39 -0.75 0.00 0.09 0.00 0.00 57.88 56.37 1pyx h LEU 377 Cb 1.83 -0.21 -0.26 0.00 0.09 0.00 0.00 40.66 42.11 1pyx h LEU 377 CO -0.04 1.13 -0.27 -0.63 0.09 0.00 0.00 178.44 178.72 1pyx s ILE 378 N -4.07 4.90 0.72 1.22 1.01 -0.57 -4.87 121.20 119.55 1pyx s ILE 378 Ca -0.08 -1.59 -0.15 0.00 0.00 0.00 0.00 60.65 58.82 1pyx s ILE 378 Cb 0.11 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.44 1pyx s ILE 378 CO 0.86 -0.84 1.21 -2.16 0.00 0.00 0.00 174.94 174.00 1pyx s PRO 379 N 1.52 2.23 0.23 2.79 0.04 -1.26 -4.83 135.00 135.71 1pyx s PRO 379 Ca 0.04 1.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1pyx s PRO 379 Cb -0.29 -1.84 0.30 0.00 0.04 0.00 0.00 34.50 32.71 1pyx s PRO 379 CO 0.02 -1.77 1.61 -1.35 0.04 0.00 0.00 177.00 175.55 1pyx h PRO 380 N -0.18 0.00 0.00 0.56 0.11 -1.93 -0.67 132.00 129.90 1pyx h PRO 380 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1pyx h PRO 380 Cb 1.30 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1pyx h PRO 380 CO 0.50 0.00 -0.03 1.12 -0.21 0.00 0.00 178.00 179.39 1pyx h HIS 381 N 0.00 0.00 0.00 0.65 2.07 -1.93 -1.00 115.15 114.94 1pyx h HIS 381 Ca 0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.87 1pyx h HIS 381 Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 1pyx h HIS 381 CO -0.58 0.03 -0.17 0.00 -3.07 0.00 0.00 177.93 174.14 1pyx n ALA 382 N -2.25 2.67 0.66 6.11 0.00 -0.26 -3.25 120.51 124.19 1pyx n ALA 382 Ca -0.03 -0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.37 1pyx n ALA 382 Cb 0.12 -1.36 0.15 0.00 0.00 0.00 0.00 19.45 18.36 1pyx n ALA 382 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pyx n ARG 383 N -1.64 2.38 -2.38 0.00 1.74 -0.39 -4.93 116.66 111.44 1pyx n ARG 383 Ca 0.06 -2.08 -0.43 0.00 -0.77 0.00 0.00 57.85 54.63 1pyx n ARG 383 Cb 0.36 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 1pyx n ARG 383 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pyx s ILE 384 N -1.73 4.15 -0.03 0.55 1.01 -1.18 -4.94 121.20 119.01 1pyx s ILE 384 Ca 0.33 1.44 -0.26 0.00 0.00 0.00 0.00 60.65 62.16 1pyx s ILE 384 Cb 0.21 -3.93 -0.21 0.00 0.01 0.00 0.00 42.46 38.55 1pyx s ILE 384 CO 0.30 -0.07 1.19 0.06 0.00 0.00 0.00 174.94 176.43 1pyx h GLN 385 N 8.01 0.05 0.00 2.79 3.07 -1.92 -3.51 115.11 123.61 1pyx h GLN 385 Ca -0.31 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.39 1pyx h GLN 385 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.70 1pyx h GLN 385 CO 0.93 0.61 0.00 0.00 0.09 0.00 0.00 178.83 180.47