#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1g s SER 2 N 0.00 -0.55 0.15 1.61 0.15 -1.26 -5.17 113.70 108.64 1x1g s SER 2 Ca 0.00 1.03 0.04 0.00 0.70 0.00 0.00 55.95 57.72 1x1g s SER 2 Cb 0.00 1.03 -0.05 0.00 -1.71 0.00 0.00 66.02 65.30 1x1g s SER 2 CO 0.00 -0.21 -0.08 -0.44 1.20 0.00 0.00 173.24 173.71 1x1g s SER 3 N 1.73 1.69 0.00 5.45 0.01 -1.26 -5.14 113.70 116.18 1x1g s SER 3 Ca -0.08 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1x1g s SER 3 Cb -0.09 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1x1g s SER 3 CO -0.14 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1x1g n GLY 4 N -0.21 -0.10 3.47 3.44 0.00 -1.26 -5.16 105.19 105.36 1x1g n GLY 4 Ca -0.09 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 1x1g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g s SER 5 N 0.00 -0.57 0.13 1.61 0.01 -1.26 -5.18 113.70 108.44 1x1g s SER 5 Ca 0.00 0.60 -0.16 0.00 1.31 0.00 0.00 55.95 57.70 1x1g s SER 5 Cb 0.00 0.50 0.03 0.00 0.21 0.00 0.00 66.02 66.77 1x1g s SER 5 CO 0.00 -0.58 0.41 -0.55 0.41 0.00 0.00 173.24 172.93 1x1g s SER 6 N -1.21 -0.23 0.33 2.44 0.15 -1.26 -5.14 113.70 108.80 1x1g s SER 6 Ca -0.11 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1x1g s SER 6 Cb -0.01 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1x1g s SER 6 CO 0.09 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1x1g n GLY 7 N -0.23 -2.46 3.04 9.45 0.00 -1.26 -4.82 105.19 108.91 1x1g n GLY 7 Ca -0.15 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1x1g n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1g s SER 8 N -6.51 4.58 0.01 1.61 0.15 -1.26 -5.09 113.70 107.20 1x1g s SER 8 Ca 0.00 -1.74 0.00 0.00 0.70 0.00 0.00 55.95 54.92 1x1g s SER 8 Cb 0.00 -1.58 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1x1g s SER 8 CO 0.00 -0.28 -0.02 -0.76 1.20 0.00 0.00 173.24 173.38 1x1g s LEU 9 N 1.02 2.09 -0.97 3.45 1.43 -1.26 -5.09 118.68 119.34 1x1g s LEU 9 Ca 0.00 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 1x1g s LEU 9 Cb -0.20 -0.03 0.25 0.00 0.03 0.00 0.00 46.19 46.24 1x1g s LEU 9 CO -0.06 -0.09 0.93 -0.44 0.23 0.00 0.00 176.35 176.92 1x1g s SER 10 N -0.58 6.94 0.25 2.29 0.01 -1.26 -5.03 113.70 116.31 1x1g s SER 10 Ca -0.05 -3.25 0.07 0.00 1.31 0.00 0.00 55.95 54.03 1x1g s SER 10 Cb -0.04 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1x1g s SER 10 CO -0.00 -0.39 0.23 -0.89 0.41 0.00 0.00 173.24 172.60 1x1g s THR 11 N -0.70 4.63 0.18 1.44 2.01 -1.26 -5.03 115.64 116.90 1x1g s THR 11 Ca 0.25 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1x1g s THR 11 Cb -0.10 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.91 1x1g s THR 11 CO -0.09 -0.34 0.00 0.55 -0.69 0.00 0.00 174.62 174.05 1x1g n VAL 12 N -1.21 0.00 -0.09 3.82 3.14 -1.26 -4.68 118.33 118.04 1x1g n VAL 12 Ca -0.08 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.22 1x1g n VAL 12 Cb 0.58 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 1x1g n VAL 12 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1x1g h GLU 13 N 0.00 0.28 -0.20 1.45 5.08 -1.97 0.83 114.58 120.05 1x1g h GLU 13 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1x1g h GLU 13 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1x1g h GLU 13 CO 0.00 0.19 0.00 1.28 -1.00 0.00 0.00 179.01 179.48 1x1g n LEU 14 N -4.98 1.14 -3.35 1.33 4.77 -1.26 -4.17 117.00 110.47 1x1g n LEU 14 Ca -0.00 -0.56 -0.39 0.00 -0.03 0.00 0.00 56.01 55.02 1x1g n LEU 14 Cb 0.09 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1x1g n LEU 14 CO 0.30 0.28 1.36 -0.24 -1.33 0.00 0.00 177.39 177.75 1x1g n SER 15 N 0.10 7.16 -4.26 -1.43 2.88 0.28 -4.96 113.62 113.40 1x1g n SER 15 Ca 0.08 -3.73 -0.18 0.00 -1.33 0.00 0.00 58.87 53.71 1x1g n SER 15 Cb 0.19 -1.08 -0.11 0.00 -0.75 0.00 0.00 64.21 62.46 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1g s GLY 16 N -1.46 1.12 -0.22 0.46 0.00 -1.26 -3.63 107.32 102.33 1x1g s GLY 16 Ca 0.44 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.50 1x1g s GLY 16 CO -0.22 -1.43 1.75 -1.59 0.00 0.00 0.00 173.10 171.61 1x1g s THR 17 N -2.39 3.52 -0.22 0.90 2.01 0.25 -4.39 115.64 115.32 1x1g s THR 17 Ca 0.12 0.58 -0.38 0.00 0.31 0.00 0.00 61.69 62.31 1x1g s THR 17 Cb -0.03 -3.57 -0.14 0.00 0.01 0.00 0.00 72.50 68.77 1x1g s THR 17 CO 0.03 -0.27 1.81 0.52 -0.69 0.00 0.00 174.62 176.03 1x1g n VAL 18 N 6.70 0.41 -0.04 3.82 0.31 -1.26 -1.00 118.33 127.26 1x1g n VAL 18 Ca 0.21 -0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.43 1x1g n VAL 18 Cb 0.45 -1.48 -0.08 0.00 -0.91 0.00 0.00 33.84 31.82 1x1g n VAL 18 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1x1g n VAL 19 N 4.90 0.55 -3.68 2.52 0.24 -0.68 -4.91 118.33 117.27 1x1g n VAL 19 Ca 0.26 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 1x1g n VAL 19 Cb 0.19 -0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 31.99 1x1g n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1x1g s LYS 20 N -2.38 0.72 0.10 7.34 2.47 -1.20 -5.02 119.74 121.78 1x1g s LYS 20 Ca -0.05 0.27 -0.16 0.00 -1.56 0.00 0.00 55.97 54.47 1x1g s LYS 20 Cb 0.04 0.34 0.03 0.00 -1.46 0.00 0.00 37.83 36.78 1x1g s LYS 20 CO 0.44 -0.17 0.38 -0.65 0.16 0.00 0.00 175.35 175.51 1x1g s GLN 21 N -0.64 1.01 0.00 4.03 -0.21 -1.26 0.17 119.66 122.76 1x1g s GLN 21 Ca -0.07 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.65 1x1g s GLN 21 Cb -0.03 0.44 0.00 0.00 1.00 0.00 0.00 33.01 34.42 1x1g s GLN 21 CO 0.04 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.24 1x1g n GLY 22 N -0.05 0.23 3.36 3.09 0.00 -0.94 -5.00 105.19 105.88 1x1g n GLY 22 Ca -0.16 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1x1g n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1g s TYR 23 N -2.79 2.65 0.30 1.61 1.51 -1.26 -0.52 117.35 118.84 1x1g s TYR 23 Ca 0.00 -0.57 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1x1g s TYR 23 Cb 0.00 -1.70 -0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1x1g s TYR 23 CO 0.00 -0.12 0.02 -0.51 -1.11 0.00 0.00 175.55 173.83 1x1g s LEU 24 N -0.10 2.26 -0.36 -1.29 1.43 0.21 -4.31 118.68 116.52 1x1g s LEU 24 Ca -0.03 -1.30 0.03 0.00 -1.03 0.00 0.00 54.13 51.79 1x1g s LEU 24 Cb -0.14 -0.42 0.10 0.00 0.03 0.00 0.00 46.19 45.76 1x1g s LEU 24 CO 0.04 -0.53 0.08 0.00 0.23 0.00 0.00 176.35 176.18 1x1g s ALA 25 N -3.25 2.96 0.09 4.21 0.00 -0.98 0.20 121.76 124.99 1x1g s ALA 25 Ca 0.33 -2.57 -0.19 0.00 0.00 0.00 0.00 51.96 49.53 1x1g s ALA 25 Cb 0.07 -2.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.07 1x1g s ALA 25 CO 0.13 -1.72 0.58 0.21 0.00 0.00 0.00 175.76 174.96 1x1g s LYS 26 N 0.89 4.19 -0.09 0.00 2.20 -1.06 -2.44 119.74 123.42 1x1g s LYS 26 Ca 0.11 0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 56.43 1x1g s LYS 26 Cb -0.20 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1x1g s LYS 26 CO -0.07 0.61 -0.03 -1.14 -0.36 0.00 0.00 175.35 174.36 1x1g s GLN 27 N -1.24 3.04 0.00 4.03 -0.44 -1.19 -2.92 119.66 120.94 1x1g s GLN 27 Ca 0.31 -0.47 0.00 0.00 -2.50 0.00 0.00 55.36 52.70 1x1g s GLN 27 Cb -0.19 -2.76 0.00 0.00 -1.64 0.00 0.00 33.01 28.42 1x1g s GLN 27 CO 0.19 0.61 0.00 0.41 0.50 0.00 0.00 175.29 177.00 1x1g n GLY 28 N 2.41 2.19 2.68 2.59 0.00 -1.25 -4.72 105.19 109.10 1x1g n GLY 28 Ca -0.18 0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1x1g n GLY 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x1g s HIS 29 N 1.85 0.13 0.29 1.61 2.46 -1.26 -4.95 115.29 115.42 1x1g s HIS 29 Ca 0.00 0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.72 1x1g s HIS 29 Cb 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 32.58 31.93 1x1g s HIS 29 CO 0.00 -0.22 0.00 1.17 -2.47 0.00 0.00 174.74 173.22 1x1g n LYS 30 N 5.28 0.00 0.02 2.88 0.00 -1.26 -5.06 118.16 120.02 1x1g n LYS 30 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.27 1x1g n LYS 30 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1x1g n LYS 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1x1g n ARG 31 N -3.17 0.00 -3.38 1.64 0.63 -1.26 -5.12 116.66 105.99 1x1g n ARG 31 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 1x1g n ARG 31 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1x1g n ARG 31 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1x1g s LYS 32 N -2.00 4.18 0.19 -0.14 2.47 -1.26 -4.98 119.74 118.20 1x1g s LYS 32 Ca 0.00 0.45 -0.23 0.00 -1.56 0.00 0.00 55.97 54.62 1x1g s LYS 32 Cb 0.00 -3.34 0.09 0.00 -1.46 0.00 0.00 37.83 33.12 1x1g s LYS 32 CO 0.00 0.39 1.56 -0.91 0.16 0.00 0.00 175.35 176.55 1x1g h ASN 33 N 5.82 -1.52 -4.27 1.43 2.35 -1.97 -3.39 115.58 114.02 1x1g h ASN 33 Ca -0.45 0.27 -0.54 0.00 -0.55 0.00 0.00 56.30 55.02 1x1g h ASN 33 Cb 1.20 0.72 -0.30 0.00 0.05 0.00 0.00 38.32 39.99 1x1g h ASN 33 CO 0.70 -0.31 -0.83 0.26 -1.65 0.00 0.00 177.43 175.60 1x1g s TRP 34 N -5.85 1.55 -0.05 1.19 0.52 -1.26 -3.95 118.94 111.10 1x1g s TRP 34 Ca -0.14 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.70 1x1g s TRP 34 Cb 0.15 -1.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.48 1x1g s TRP 34 CO 0.67 -0.04 -0.11 0.15 0.02 0.00 0.00 176.95 177.65 1x1g s LYS 35 N -0.36 1.43 0.28 4.98 1.02 -1.15 -5.01 119.74 120.94 1x1g s LYS 35 Ca 0.06 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 1x1g s LYS 35 Cb -0.07 -1.23 -0.10 0.00 -0.52 0.00 0.00 37.83 35.91 1x1g s LYS 35 CO -0.00 0.04 1.30 0.08 -0.92 0.00 0.00 175.35 175.84 1x1g s VAL 36 N 0.59 2.92 -0.11 3.17 1.01 -1.26 -2.55 120.40 124.16 1x1g s VAL 36 Ca -0.12 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 1x1g s VAL 36 Cb -0.14 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1x1g s VAL 36 CO 0.02 0.18 0.30 -0.13 0.00 0.00 0.00 175.10 175.47 1x1g s ARG 37 N -1.19 0.37 -0.53 2.72 0.52 0.54 -4.62 118.95 116.75 1x1g s ARG 37 Ca 0.51 0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 55.82 1x1g s ARG 37 Cb -0.38 0.18 0.02 0.00 0.52 0.00 0.00 34.95 35.28 1x1g s ARG 37 CO 0.47 -0.05 1.34 0.50 0.02 0.00 0.00 175.30 177.58 1x1g s ARG 38 N 0.07 3.43 0.11 3.54 3.52 0.29 0.64 118.95 130.55 1x1g s ARG 38 Ca -0.01 0.50 -0.04 0.00 -0.13 0.00 0.00 55.73 56.06 1x1g s ARG 38 Cb -0.02 -4.06 -0.05 0.00 -1.56 0.00 0.00 34.95 29.25 1x1g s ARG 38 CO 0.01 -1.77 0.32 -0.06 -0.81 0.00 0.00 175.30 172.99 1x1g s PHE 39 N 5.56 3.50 -0.02 5.12 0.40 0.33 0.19 117.98 133.06 1x1g s PHE 39 Ca 0.51 0.47 0.02 0.00 -0.60 0.00 0.00 56.93 57.33 1x1g s PHE 39 Cb -0.10 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.50 1x1g s PHE 39 CO 0.27 0.49 -0.07 0.54 0.70 0.00 0.00 175.22 177.15 1x1g s VAL 40 N -1.58 0.63 -0.07 -0.44 0.11 0.50 -2.20 120.40 117.35 1x1g s VAL 40 Ca 0.38 -0.29 0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1x1g s VAL 40 Cb -0.12 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1x1g s VAL 40 CO 0.25 0.20 -0.13 -0.22 -3.33 0.00 0.00 175.10 171.87 1x1g s LEU 41 N 0.11 2.81 0.04 2.54 0.20 0.45 -1.42 118.68 123.41 1x1g s LEU 41 Ca -0.01 -0.19 -0.03 0.00 0.69 0.00 0.00 54.13 54.59 1x1g s LEU 41 Cb -0.06 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 44.08 1x1g s LEU 41 CO -0.00 0.32 0.03 -0.13 -0.29 0.00 0.00 176.35 176.28 1x1g s ARG 42 N -0.55 0.54 0.03 1.98 0.52 -1.02 -1.69 118.95 118.76 1x1g s ARG 42 Ca 0.08 -0.88 0.05 0.00 -0.52 0.00 0.00 55.73 54.46 1x1g s ARG 42 Cb -0.12 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.53 1x1g s ARG 42 CO 0.01 -0.12 -0.14 -1.59 0.02 0.00 0.00 175.30 173.49 1x1g s LYS 43 N -2.82 0.99 -0.56 3.54 -2.85 -0.17 -2.37 119.74 115.50 1x1g s LYS 43 Ca -0.03 -0.72 -0.15 0.00 -1.00 0.00 0.00 55.97 54.07 1x1g s LYS 43 Cb 0.00 -0.99 0.02 0.00 -2.06 0.00 0.00 37.83 34.80 1x1g s LYS 43 CO -0.06 0.25 0.64 -3.47 0.10 0.00 0.00 175.35 172.81 1x1g n ASP 44 N 2.05 -7.08 -4.59 0.03 2.03 -1.26 0.84 116.55 108.57 1x1g n ASP 44 Ca -0.17 0.08 -0.29 0.00 0.52 0.00 0.00 54.79 54.92 1x1g n ASP 44 Cb 0.55 -4.20 0.15 0.00 -0.72 0.00 0.00 41.12 36.90 1x1g n ASP 44 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x1g s PRO 45 N -2.94 0.80 -0.78 -0.67 0.04 -1.24 -3.99 135.00 126.23 1x1g s PRO 45 Ca 0.19 0.16 -0.16 0.00 0.04 0.00 0.00 61.00 61.23 1x1g s PRO 45 Cb -0.04 -1.81 0.18 0.00 0.04 0.00 0.00 34.50 32.87 1x1g s PRO 45 CO 0.80 -2.40 0.78 0.00 0.04 0.00 0.00 177.00 176.22 1x1g s ALA 46 N -3.32 3.82 0.37 8.56 0.00 -1.26 -4.58 121.76 125.35 1x1g s ALA 46 Ca 0.66 -2.99 0.05 0.00 0.00 0.00 0.00 51.96 49.68 1x1g s ALA 46 Cb -0.13 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1x1g s ALA 46 CO 0.54 -2.37 0.17 -0.06 0.00 0.00 0.00 175.76 174.04 1x1g s PHE 47 N 1.10 1.75 -0.24 0.00 0.40 -1.00 -2.66 117.98 117.32 1x1g s PHE 47 Ca 0.17 -1.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.06 1x1g s PHE 47 Cb -0.14 -1.00 0.13 0.00 0.51 0.00 0.00 43.02 42.53 1x1g s PHE 47 CO -0.06 -0.49 0.45 -1.17 0.70 0.00 0.00 175.22 174.66 1x1g s LEU 48 N -3.51 -0.81 0.38 -0.37 2.96 -1.17 -2.45 118.68 113.71 1x1g s LEU 48 Ca 0.30 0.69 0.08 0.00 -0.22 0.00 0.00 54.13 54.98 1x1g s LEU 48 Cb 0.03 1.46 -0.06 0.00 0.50 0.00 0.00 46.19 48.12 1x1g s LEU 48 CO 0.18 -0.26 0.03 -1.00 -1.32 0.00 0.00 176.35 173.97 1x1g s HIS 49 N 2.65 2.52 -0.15 5.38 3.76 -0.51 -1.99 115.29 126.96 1x1g s HIS 49 Ca 0.08 -0.55 -0.22 0.00 -0.15 0.00 0.00 55.06 54.21 1x1g s HIS 49 Cb -0.14 -1.66 0.06 0.00 1.11 0.00 0.00 32.58 31.95 1x1g s HIS 49 CO -0.16 0.43 0.57 1.52 -0.85 0.00 0.00 174.74 176.25 1x1g s TYR 50 N -2.61 -0.58 0.19 1.40 -0.85 -1.26 0.19 117.35 113.82 1x1g s TYR 50 Ca 0.36 1.27 0.10 0.00 -0.52 0.00 0.00 57.07 58.28 1x1g s TYR 50 Cb 0.04 0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 1x1g s TYR 50 CO 0.19 -0.40 -0.22 0.71 -1.52 0.00 0.00 175.55 174.32 1x1g s TYR 51 N -0.31 2.12 -0.14 -3.49 1.51 0.51 -0.89 117.35 116.66 1x1g s TYR 51 Ca -0.05 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.41 1x1g s TYR 51 Cb -0.03 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1x1g s TYR 51 CO 0.04 0.45 0.58 0.34 -1.11 0.00 0.00 175.55 175.84 1x1g s ASP 52 N -2.71 6.73 0.00 2.29 -1.08 -1.26 0.11 116.67 120.75 1x1g s ASP 52 Ca 0.19 0.88 0.23 0.00 -0.52 0.00 0.00 52.55 53.33 1x1g s ASP 52 Cb -0.07 -2.33 1.28 0.00 -1.46 0.00 0.00 42.92 40.34 1x1g s ASP 52 CO 0.09 -0.13 1.76 -0.81 0.52 0.00 0.00 175.17 176.60 1x1g n PRO 53 N 4.27 0.53 -0.57 4.34 -0.04 -1.26 -2.33 135.00 139.95 1x1g n PRO 53 Ca -0.04 0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1x1g n PRO 53 Cb 0.51 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.69 1x1g n PRO 53 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x1g n SER 54 N -1.14 3.11 -4.31 3.54 7.64 -1.26 -5.00 113.62 116.20 1x1g n SER 54 Ca 0.14 -3.36 -0.27 0.00 1.01 0.00 0.00 58.87 56.39 1x1g n SER 54 Cb 0.13 -0.57 -0.08 0.00 -1.01 0.00 0.00 64.21 62.67 1x1g n SER 54 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1x1g s LYS 55 N -3.02 1.96 -0.41 1.43 0.00 -0.98 -5.12 119.74 113.59 1x1g s LYS 55 Ca 0.42 -2.20 0.04 0.00 0.00 0.00 0.00 55.97 54.24 1x1g s LYS 55 Cb 0.36 -0.87 0.17 0.00 0.00 0.00 0.00 37.83 37.49 1x1g s LYS 55 CO 0.04 -0.41 0.44 -1.21 0.00 0.00 0.00 175.35 174.21 1x1g s GLU 56 N -3.77 0.81 -0.06 1.78 2.02 -1.26 -4.99 118.70 113.23 1x1g s GLU 56 Ca 0.21 -1.27 -0.24 0.00 0.02 0.00 0.00 54.97 53.69 1x1g s GLU 56 Cb 0.03 -0.78 0.05 0.00 0.10 0.00 0.00 34.13 33.53 1x1g s GLU 56 CO 0.12 -1.28 0.54 -2.00 0.02 0.00 0.00 175.26 172.65 1x1g s GLU 57 N 0.91 0.86 -0.32 1.61 2.12 -1.26 -5.04 118.70 117.58 1x1g s GLU 57 Ca 0.24 0.19 -0.05 0.00 0.36 0.00 0.00 54.97 55.71 1x1g s GLU 57 Cb -0.07 0.40 -0.10 0.00 0.26 0.00 0.00 34.13 34.62 1x1g s GLU 57 CO -0.08 -0.24 3.18 0.09 -0.54 0.00 0.00 175.26 177.67 1x1g n ASN 58 N 1.34 6.03 -3.50 -1.70 4.13 -1.26 -4.80 115.26 115.50 1x1g n ASN 58 Ca -0.19 -2.83 -0.13 0.00 1.68 0.00 0.00 54.58 53.11 1x1g n ASN 58 Cb 0.56 -1.34 -0.04 0.00 -1.54 0.00 0.00 39.78 37.42 1x1g n ASN 58 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1x1g s ARG 59 N -0.23 0.97 0.71 3.52 3.52 -1.26 -5.17 118.95 121.01 1x1g s ARG 59 Ca 0.63 -0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 56.08 1x1g s ARG 59 Cb 0.34 0.45 0.01 0.00 -1.56 0.00 0.00 34.95 34.20 1x1g s ARG 59 CO -0.10 -0.36 1.06 -1.25 -0.81 0.00 0.00 175.30 173.84 1x1g s PRO 60 N -2.16 2.84 0.15 5.12 0.04 -1.26 -4.90 135.00 134.82 1x1g s PRO 60 Ca -0.03 0.91 0.05 0.00 0.04 0.00 0.00 61.00 61.97 1x1g s PRO 60 Cb -0.01 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1x1g s PRO 60 CO -0.01 -1.16 1.35 0.28 0.04 0.00 0.00 177.00 177.50 1x1g h VAL 61 N -0.76 1.58 0.00 -0.36 2.07 -1.37 -3.49 116.25 113.93 1x1g h VAL 61 Ca -0.44 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.15 1x1g h VAL 61 Cb 1.22 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 1x1g h VAL 61 CO 0.57 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.61 1x1g n GLY 62 N 1.04 3.00 0.00 2.17 0.00 -1.21 -5.07 105.19 105.12 1x1g n GLY 62 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x1g n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1g n GLY 63 N 0.00 2.66 3.43 -0.02 0.00 -1.26 -4.51 105.19 105.49 1x1g n GLY 63 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1x1g n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x1g s PHE 64 N 0.00 2.38 -0.01 1.61 -0.71 -0.84 -4.94 117.98 115.47 1x1g s PHE 64 Ca 0.00 -0.34 -0.30 0.00 -1.04 0.00 0.00 56.93 55.25 1x1g s PHE 64 Cb 0.00 -1.26 -0.04 0.00 -1.21 0.00 0.00 43.02 40.50 1x1g s PHE 64 CO 0.00 0.38 1.22 -1.54 -1.34 0.00 0.00 175.22 173.94 1x1g s SER 65 N -2.18 7.04 0.21 1.98 1.04 -1.26 -3.02 113.70 117.51 1x1g s SER 65 Ca 0.16 1.91 0.04 0.00 0.48 0.00 0.00 55.95 58.55 1x1g s SER 65 Cb -0.10 -2.57 0.15 0.00 0.10 0.00 0.00 66.02 63.60 1x1g s SER 65 CO 0.08 -0.55 1.49 -0.07 0.98 0.00 0.00 173.24 175.16 1x1g h LEU 66 N 7.72 0.24 -8.16 2.42 3.38 -1.83 -3.42 115.31 115.65 1x1g h LEU 66 Ca -0.37 -0.16 -0.39 0.00 0.09 0.00 0.00 57.88 57.04 1x1g h LEU 66 Cb 1.18 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1x1g h LEU 66 CO 0.86 0.88 1.59 0.54 0.09 0.00 0.00 178.44 182.39 1x1g n ARG 67 N -3.77 0.27 -0.42 1.13 5.12 -1.23 0.20 116.66 117.96 1x1g n ARG 67 Ca -0.03 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1x1g n ARG 67 Cb 0.70 -2.03 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1x1g n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x1g n GLY 68 N 6.18 1.52 2.40 -0.13 0.00 -1.26 -4.95 105.19 108.95 1x1g n GLY 68 Ca 0.58 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 1x1g n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1g n SER 69 N 0.37 2.48 -3.66 1.61 3.41 0.53 -1.90 113.62 116.47 1x1g n SER 69 Ca 0.00 -2.32 -0.13 0.00 -0.26 0.00 0.00 58.87 56.16 1x1g n SER 69 Cb 0.10 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.07 1x1g n SER 69 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x1g s LEU 70 N 0.00 0.33 -0.00 1.04 1.98 0.35 -4.84 118.68 117.54 1x1g s LEU 70 Ca 0.11 0.10 0.01 0.00 -2.89 0.00 0.00 54.13 51.46 1x1g s LEU 70 Cb -0.01 1.77 -0.00 0.00 0.66 0.00 0.00 46.19 48.61 1x1g s LEU 70 CO 0.07 -0.62 -0.05 0.54 -1.89 0.00 0.00 176.35 174.40 1x1g s VAL 71 N -2.14 0.37 0.05 1.68 0.11 -1.26 0.13 120.40 119.34 1x1g s VAL 71 Ca -0.07 -0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.60 1x1g s VAL 71 Cb -0.01 -0.32 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 1x1g s VAL 71 CO 0.00 0.11 0.42 -0.44 -3.33 0.00 0.00 175.10 171.86 1x1g s SER 72 N -0.09 -0.29 0.22 3.54 0.01 0.23 -4.94 113.70 112.37 1x1g s SER 72 Ca 0.02 -0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.21 1x1g s SER 72 Cb -0.02 0.43 -0.06 0.00 0.21 0.00 0.00 66.02 66.59 1x1g s SER 72 CO -0.00 -0.68 0.48 0.00 0.41 0.00 0.00 173.24 173.44 1x1g s ALA 73 N -2.57 3.68 0.47 1.44 0.00 -1.26 0.86 121.76 124.38 1x1g s ALA 73 Ca -0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1x1g s ALA 73 Cb -0.01 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 1x1g s ALA 73 CO -0.03 0.47 0.72 -0.51 0.00 0.00 0.00 175.76 176.41 1x1g s LEU 74 N -3.06 3.61 0.87 0.00 1.43 -0.80 -4.85 118.68 115.88 1x1g s LEU 74 Ca 0.43 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 1x1g s LEU 74 Cb -0.11 -3.40 0.12 0.00 0.03 0.00 0.00 46.19 42.82 1x1g s LEU 74 CO 0.26 -0.70 1.11 -1.61 0.23 0.00 0.00 176.35 175.64 1x1g s GLU 75 N -4.65 1.44 -0.07 1.70 2.02 -1.26 -4.66 118.70 113.22 1x1g s GLU 75 Ca 0.48 0.57 -0.21 0.00 0.02 0.00 0.00 54.97 55.83 1x1g s GLU 75 Cb -0.10 -1.85 -0.17 0.00 0.10 0.00 0.00 34.13 32.11 1x1g s GLU 75 CO 0.40 -2.05 0.83 0.22 0.02 0.00 0.00 175.26 174.68 1x1g h ASP 76 N -1.40 -0.11 -1.92 -0.19 1.82 -1.98 -3.46 116.42 109.18 1x1g h ASP 76 Ca -0.49 -0.46 -0.58 0.00 -0.39 0.00 0.00 57.03 55.11 1x1g h ASP 76 Cb 1.30 0.03 -0.10 0.00 0.68 0.00 0.00 39.33 41.23 1x1g h ASP 76 CO 0.59 0.51 -0.60 0.20 -1.61 0.00 0.00 179.24 178.33 1x1g s ASN 77 N -5.65 4.27 0.00 2.28 0.01 -1.26 -4.88 114.94 109.72 1x1g s ASN 77 Ca -0.13 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.07 1x1g s ASN 77 Cb -0.00 -0.57 0.00 0.00 0.41 0.00 0.00 41.25 41.09 1x1g s ASN 77 CO 0.50 -0.24 0.00 0.61 -1.51 0.00 0.00 177.10 176.46 1x1g n GLY 78 N -0.99 0.25 3.69 0.66 0.00 -1.26 -4.96 105.19 102.59 1x1g n GLY 78 Ca -0.04 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1x1g n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 79 N 2.04 0.21 -1.53 1.61 0.31 -1.26 -4.91 118.33 114.80 1x1g n VAL 79 Ca 0.00 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 64.00 1x1g n VAL 79 Cb 0.00 -1.97 0.16 0.00 -0.91 0.00 0.00 33.84 31.11 1x1g n VAL 79 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1x1g s PRO 80 N 2.06 0.73 -0.04 5.55 0.04 -1.26 -4.94 135.00 137.14 1x1g s PRO 80 Ca 0.80 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 1x1g s PRO 80 Cb -0.53 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 1x1g s PRO 80 CO 0.37 -2.44 1.83 0.99 0.04 0.00 0.00 177.00 177.78 1x1g s THR 81 N -3.33 3.30 -0.41 1.26 2.01 -1.26 -3.68 115.64 113.53 1x1g s THR 81 Ca 0.66 0.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.73 1x1g s THR 81 Cb -0.12 -3.25 0.04 0.00 0.01 0.00 0.00 72.50 69.18 1x1g s THR 81 CO 0.54 -0.05 0.59 0.61 -0.69 0.00 0.00 174.62 175.61 1x1g n GLY 82 N 4.48 -0.40 2.94 4.40 0.00 -1.26 -5.01 105.19 110.34 1x1g n GLY 82 Ca 0.19 1.11 -0.07 0.00 0.00 0.00 0.00 46.02 47.25 1x1g n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1g s VAL 83 N -1.78 -0.65 -1.18 1.61 1.01 -1.24 -5.07 120.40 113.09 1x1g s VAL 83 Ca 0.31 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 1x1g s VAL 83 Cb -0.05 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1x1g s VAL 83 CO 0.79 -0.11 1.78 -0.54 0.00 0.00 0.00 175.10 177.01 1x1g s LYS 84 N 2.58 3.33 0.00 2.72 -0.14 -1.26 -4.15 119.74 122.82 1x1g s LYS 84 Ca 0.14 -1.45 0.00 0.00 -1.36 0.00 0.00 55.97 53.30 1x1g s LYS 84 Cb -0.15 -5.38 0.00 0.00 -1.68 0.00 0.00 37.83 30.62 1x1g s LYS 84 CO -0.17 -2.90 0.00 0.41 -0.76 0.00 0.00 175.35 171.93 1x1g n GLY 85 N 5.89 1.22 3.44 -3.33 0.00 -1.26 -4.97 105.19 106.18 1x1g n GLY 85 Ca 0.44 -0.67 -0.46 0.00 0.00 0.00 0.00 46.02 45.34 1x1g n GLY 85 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1g n ASN 86 N 0.00 0.51 -3.39 1.61 6.94 -1.26 -4.85 115.26 114.82 1x1g n ASN 86 Ca 0.00 0.28 -0.30 0.00 -0.02 0.00 0.00 54.58 54.54 1x1g n ASN 86 Cb 0.00 -0.95 0.27 0.00 -2.36 0.00 0.00 39.78 36.74 1x1g n ASN 86 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1x1g n VAL 87 N 7.27 0.00 -3.46 3.53 0.24 -1.26 -5.04 118.33 119.60 1x1g n VAL 87 Ca 0.62 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.54 1x1g n VAL 87 Cb 0.04 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 31.26 1x1g n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x1g s GLN 88 N -5.27 1.11 0.00 7.34 -2.07 -1.26 -4.97 119.66 114.55 1x1g s GLN 88 Ca 0.68 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.94 1x1g s GLN 88 Cb -0.09 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 1x1g s GLN 88 CO 0.55 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.46 1x1g n GLY 89 N -0.09 1.46 4.08 2.60 0.00 -1.26 -4.71 105.19 107.27 1x1g n GLY 89 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1x1g n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x1g n ASN 90 N 0.00 -1.35 -2.60 1.61 4.13 -1.26 -4.87 115.26 110.92 1x1g n ASN 90 Ca 0.00 -1.17 0.00 0.00 1.68 0.00 0.00 54.58 55.09 1x1g n ASN 90 Cb 0.00 -2.25 0.00 0.00 -1.54 0.00 0.00 39.78 35.99 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x1g n LEU 91 N -4.60 0.00 -3.83 3.41 4.32 -1.26 -4.85 117.00 110.19 1x1g n LEU 91 Ca -0.24 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.68 1x1g n LEU 91 Cb 0.65 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.44 1x1g n LEU 91 CO 0.78 -0.52 0.54 0.72 -1.22 0.00 0.00 177.39 177.69 1x1g s PHE 92 N -0.64 -0.12 0.14 -1.77 -0.71 -1.08 -1.91 117.98 111.88 1x1g s PHE 92 Ca 0.00 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.56 1x1g s PHE 92 Cb 0.00 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.48 1x1g s PHE 92 CO 0.00 -1.19 0.01 -1.59 -1.34 0.00 0.00 175.22 171.12 1x1g s LYS 93 N -3.50 0.97 -0.23 1.99 0.00 0.25 -0.38 119.74 118.85 1x1g s LYS 93 Ca 0.12 -1.45 0.02 0.00 0.00 0.00 0.00 55.97 54.65 1x1g s LYS 93 Cb -0.05 -0.03 0.05 0.00 0.00 0.00 0.00 37.83 37.81 1x1g s LYS 93 CO 0.07 -0.17 -0.10 0.08 0.00 0.00 0.00 175.35 175.23 1x1g s VAL 94 N -3.82 1.83 -0.51 1.79 1.01 0.14 -0.60 120.40 120.24 1x1g s VAL 94 Ca 0.21 -1.30 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 1x1g s VAL 94 Cb 0.07 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.54 1x1g s VAL 94 CO 0.01 0.04 0.74 -0.63 0.00 0.00 0.00 175.10 175.27 1x1g s ILE 95 N 1.28 4.69 0.89 2.22 1.01 0.34 0.80 121.20 132.43 1x1g s ILE 95 Ca -0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.38 1x1g s ILE 95 Cb -0.18 -4.36 0.20 0.00 0.01 0.00 0.00 42.46 38.13 1x1g s ILE 95 CO -0.07 -0.87 1.21 0.35 0.00 0.00 0.00 174.94 175.56 1x1g n THR 96 N 5.88 0.00 0.27 2.92 -2.24 -1.26 0.13 114.28 119.98 1x1g n THR 96 Ca -0.02 -0.95 0.07 0.00 -2.27 0.00 0.00 64.05 60.88 1x1g n THR 96 Cb 0.47 -1.50 0.34 0.00 -2.10 0.00 0.00 70.33 67.54 1x1g n THR 96 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1x1g n LYS 97 N -3.54 0.08 -0.55 -0.78 2.85 -0.80 -0.13 118.16 115.30 1x1g n LYS 97 Ca 0.15 0.45 0.10 0.00 -1.05 0.00 0.00 58.31 57.96 1x1g n LYS 97 Cb 0.54 -1.70 0.34 0.00 -0.65 0.00 0.00 35.03 33.56 1x1g n LYS 97 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1x1g n ASP 98 N -1.86 4.53 -4.32 -5.58 9.92 -1.26 -4.93 116.55 113.05 1x1g n ASP 98 Ca 0.01 -2.34 -0.37 0.00 -0.53 0.00 0.00 54.79 51.56 1x1g n ASP 98 Cb 0.11 -0.55 -0.05 0.00 -0.64 0.00 0.00 41.12 39.99 1x1g n ASP 98 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1x1g n ASP 99 N 1.20 -2.00 -0.02 -2.24 9.92 0.82 -4.83 116.55 119.41 1x1g n ASP 99 Ca 0.25 -1.12 -0.13 0.00 -0.53 0.00 0.00 54.79 53.26 1x1g n ASP 99 Cb 0.82 -2.27 -0.10 0.00 -0.64 0.00 0.00 41.12 38.93 1x1g n ASP 99 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1x1g h THR 100 N -1.36 1.38 -3.28 -3.53 2.02 -1.85 -3.46 112.91 102.81 1x1g h THR 100 Ca -0.61 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1x1g h THR 100 Cb 1.39 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1x1g h THR 100 CO 0.80 0.37 -0.09 1.41 0.37 0.00 0.00 175.52 178.37 1x1g n HIS 101 N -4.80 -0.48 -3.09 3.16 8.25 -1.09 -4.96 115.22 112.21 1x1g n HIS 101 Ca -0.09 0.20 -0.43 0.00 -0.26 0.00 0.00 57.72 57.15 1x1g n HIS 101 Cb 0.32 -1.83 -0.06 0.00 1.12 0.00 0.00 29.99 29.54 1x1g n HIS 101 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1x1g s TYR 102 N -0.73 3.03 0.08 4.41 2.02 0.24 -4.71 117.35 121.68 1x1g s TYR 102 Ca 0.02 -0.17 -0.30 0.00 -0.37 0.00 0.00 57.07 56.24 1x1g s TYR 102 Cb -0.00 -3.47 -0.06 0.00 -0.40 0.00 0.00 41.96 38.02 1x1g s TYR 102 CO 0.10 -0.96 1.14 0.71 -1.57 0.00 0.00 175.55 174.97 1x1g s TYR 103 N 2.90 3.51 0.17 2.71 1.51 -1.26 0.26 117.35 127.14 1x1g s TYR 103 Ca 0.22 1.43 0.01 0.00 -1.01 0.00 0.00 57.07 57.72 1x1g s TYR 103 Cb -0.15 -3.34 -0.05 0.00 -0.11 0.00 0.00 41.96 38.31 1x1g s TYR 103 CO 0.17 -0.93 0.01 0.42 -1.11 0.00 0.00 175.55 174.11 1x1g s ILE 104 N 0.75 0.61 0.03 2.71 1.01 0.49 -3.16 121.20 123.64 1x1g s ILE 104 Ca 0.56 -1.97 0.03 0.00 0.00 0.00 0.00 60.65 59.26 1x1g s ILE 104 Cb -0.28 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1x1g s ILE 104 CO 0.30 -0.48 -0.09 -1.58 0.00 0.00 0.00 174.94 173.10 1x1g s GLN 105 N -3.93 0.59 0.42 2.79 0.74 -1.02 -2.63 119.66 116.62 1x1g s GLN 105 Ca 0.24 -0.61 0.08 0.00 0.05 0.00 0.00 55.36 55.12 1x1g s GLN 105 Cb 0.06 -0.48 -0.00 0.00 1.10 0.00 0.00 33.01 33.69 1x1g s GLN 105 CO 0.04 0.11 0.49 0.00 -0.55 0.00 0.00 175.29 175.37 1x1g s ALA 106 N -0.92 4.32 -0.12 1.58 0.00 -1.26 -2.32 121.76 123.04 1x1g s ALA 106 Ca -0.04 -1.78 -0.19 0.00 0.00 0.00 0.00 51.96 49.95 1x1g s ALA 106 Cb -0.07 -1.34 -0.26 0.00 0.00 0.00 0.00 23.12 21.45 1x1g s ALA 106 CO 0.00 -0.27 0.56 0.77 0.00 0.00 0.00 175.76 176.83 1x1g h SER 107 N 0.81 0.27 -4.10 0.00 0.02 -1.90 -3.47 113.55 105.19 1x1g h SER 107 Ca -0.40 -0.83 -0.66 0.00 -0.84 0.00 0.00 61.79 59.06 1x1g h SER 107 Cb 1.27 -0.09 -0.24 0.00 0.14 0.00 0.00 62.40 63.49 1x1g h SER 107 CO 0.51 1.49 -0.86 -0.44 -1.14 0.00 0.00 176.83 176.38 1x1g s SER 108 N -6.88 3.06 0.23 3.07 0.01 -1.26 -5.00 113.70 106.92 1x1g s SER 108 Ca -0.21 -0.67 -0.17 0.00 1.31 0.00 0.00 55.95 56.21 1x1g s SER 108 Cb 0.03 -0.22 0.25 0.00 0.21 0.00 0.00 66.02 66.29 1x1g s SER 108 CO 0.73 0.18 1.53 1.17 0.41 0.00 0.00 173.24 177.26 1x1g n LYS 109 N 1.26 -0.22 0.03 12.44 3.00 -1.26 0.88 118.16 134.29 1x1g n LYS 109 Ca -0.18 1.51 -0.12 0.00 -0.00 0.00 0.00 58.31 59.53 1x1g n LYS 109 Cb 0.53 -2.25 -0.07 0.00 0.00 0.00 0.00 35.03 33.24 1x1g n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x1g h ALA 110 N 1.40 0.03 -1.02 3.14 0.00 -2.00 -2.03 119.26 118.78 1x1g h ALA 110 Ca 0.35 -0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.60 1x1g h ALA 110 Cb 0.60 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.22 1x1g h ALA 110 CO -0.98 -0.46 0.58 1.49 0.00 0.00 0.00 179.25 179.88 1x1g h GLU 111 N 0.02 0.23 0.00 0.00 4.57 0.10 0.40 114.58 119.90 1x1g h GLU 111 Ca 0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x1g h GLU 111 Cb 0.01 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1x1g h GLU 111 CO -0.00 0.15 0.00 -2.13 -1.18 0.00 0.00 179.01 175.85 1x1g n ARG 112 N -5.08 0.00 -0.36 1.92 0.00 0.07 -1.60 116.66 111.62 1x1g n ARG 112 Ca 0.34 0.49 0.27 0.00 -0.00 0.00 0.00 57.85 58.94 1x1g n ARG 112 Cb 1.08 -1.43 0.52 0.00 0.00 0.00 0.00 32.46 32.64 1x1g n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x1g h ALA 113 N -2.00 2.17 0.08 5.13 0.00 -1.09 0.03 119.26 123.57 1x1g h ALA 113 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x1g h ALA 113 Cb 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1x1g h ALA 113 CO 0.00 -0.76 -0.09 0.93 0.00 0.00 0.00 179.25 179.33 1x1g h GLU 114 N 0.28 -0.16 -0.84 0.00 5.08 -0.11 0.38 114.58 119.21 1x1g h GLU 114 Ca 0.74 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 59.32 1x1g h GLU 114 Cb 1.86 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 31.01 1x1g h GLU 114 CO -0.52 -0.11 0.20 -1.49 -1.00 0.00 0.00 179.01 176.09 1x1g h TRP 115 N -0.17 0.30 0.00 4.33 4.06 -0.14 0.48 115.95 124.81 1x1g h TRP 115 Ca -0.01 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1x1g h TRP 115 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1x1g h TRP 115 CO -0.13 -0.19 0.00 -0.89 -3.56 0.00 0.00 178.44 173.67 1x1g n ILE 116 N -5.23 0.00 -0.32 1.49 5.41 -0.15 0.24 119.36 120.79 1x1g n ILE 116 Ca 0.19 1.17 0.24 0.00 1.00 0.00 0.00 62.75 65.35 1x1g n ILE 116 Cb 0.62 -1.98 0.46 0.00 -0.71 0.00 0.00 39.64 38.03 1x1g n ILE 116 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1x1g h GLU 117 N 0.00 0.11 0.25 0.38 5.08 0.37 0.12 114.58 120.89 1x1g h GLU 117 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1x1g h GLU 117 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1x1g h GLU 117 CO 0.00 0.07 -0.25 0.00 -1.00 0.00 0.00 179.01 177.83 1x1g h ALA 118 N 1.93 -0.95 -0.63 3.43 0.00 0.48 -0.96 119.26 122.56 1x1g h ALA 118 Ca 0.73 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.64 1x1g h ALA 118 Cb 1.75 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 19.91 1x1g h ALA 118 CO -0.74 -0.96 -0.42 0.82 0.00 0.00 0.00 179.25 177.94 1x1g h ILE 119 N -0.49 0.09 -0.93 0.00 2.04 0.23 0.18 117.51 118.62 1x1g h ILE 119 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 1x1g h ILE 119 Cb 0.43 0.09 -0.15 0.00 -0.74 0.00 0.00 36.82 36.45 1x1g h ILE 119 CO -0.03 0.00 -0.40 0.11 0.00 0.00 0.00 178.15 177.83 1x1g h LYS 120 N -0.19 -0.03 -0.89 2.37 1.57 -0.86 0.30 116.57 118.84 1x1g h LYS 120 Ca 0.20 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 1x1g h LYS 120 Cb 0.56 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 1x1g h LYS 120 CO -0.72 -0.02 -0.58 0.87 -0.57 0.00 0.00 179.45 178.43 1x1g h LYS 121 N -0.03 -0.07 -0.27 3.15 1.57 0.75 0.22 116.57 121.90 1x1g h LYS 121 Ca 0.31 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.15 1x1g h LYS 121 Cb 0.57 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 1x1g h LYS 121 CO -0.94 -0.05 -0.36 -0.07 -0.57 0.00 0.00 179.45 177.47 1x1g h LEU 122 N -0.07 -1.16 -6.88 2.94 -0.00 -0.22 0.25 115.31 110.17 1x1g h LEU 122 Ca 0.14 0.18 -0.57 0.00 -0.00 0.00 0.00 57.88 57.64 1x1g h LEU 122 Cb 0.44 0.51 0.08 0.00 -0.00 0.00 0.00 40.66 41.69 1x1g h LEU 122 CO -0.88 -0.36 1.73 0.35 -0.00 0.00 0.00 178.44 179.28 1x1g n THR 123 N -5.42 1.07 -3.12 0.22 -2.24 0.79 -4.31 114.28 101.26 1x1g n THR 123 Ca -0.01 -0.96 -0.11 0.00 -2.27 0.00 0.00 64.05 60.69 1x1g n THR 123 Cb 0.34 -2.17 0.01 0.00 -2.10 0.00 0.00 70.33 66.41 1x1g n THR 123 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x1g n SER 124 N 9.33 -6.80 -3.71 3.42 7.64 -1.17 -4.88 113.62 117.45 1x1g n SER 124 Ca 0.48 0.51 -0.16 0.00 1.01 0.00 0.00 58.87 60.71 1x1g n SER 124 Cb 0.42 -2.91 -0.15 0.00 -1.01 0.00 0.00 64.21 60.56 1x1g n SER 124 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x1g s GLY 125 N -1.46 0.04 0.62 0.23 0.00 0.87 -4.85 107.32 102.76 1x1g s GLY 125 Ca 0.13 0.53 -0.14 0.00 0.00 0.00 0.00 44.72 45.24 1x1g s GLY 125 CO 0.49 1.23 1.05 2.56 0.00 0.00 0.00 173.10 178.43 1x1g s PRO 126 N 1.65 3.26 -0.05 2.90 0.04 -1.26 -4.81 135.00 136.73 1x1g s PRO 126 Ca -0.03 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 61.95 1x1g s PRO 126 Cb -0.12 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1x1g s PRO 126 CO -0.05 -0.85 0.44 -1.12 0.04 0.00 0.00 177.00 175.47 1x1g s SER 127 N -3.12 6.76 0.61 6.66 0.01 -1.26 -5.01 113.70 118.35 1x1g s SER 127 Ca 0.61 0.91 -0.16 0.00 1.31 0.00 0.00 55.95 58.62 1x1g s SER 127 Cb -0.15 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 1x1g s SER 127 CO 0.42 0.18 1.09 -0.44 0.41 0.00 0.00 173.24 174.89 1x1g s SER 128 N -0.31 5.52 0.00 2.44 0.01 -1.26 -5.31 113.70 114.79 1x1g s SER 128 Ca 0.25 1.94 0.21 0.00 1.31 0.00 0.00 55.95 59.65 1x1g s SER 128 Cb -0.16 -2.55 1.23 0.00 0.21 0.00 0.00 66.02 64.75 1x1g s SER 128 CO 0.12 -1.35 1.61 0.61 0.41 0.00 0.00 173.24 174.65