#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1g n SER 2 N 0.00 -6.95 -4.74 1.61 2.88 -1.26 -4.92 113.62 100.25 1x1g n SER 2 Ca 0.00 1.27 -0.35 0.00 -1.33 0.00 0.00 58.87 58.45 1x1g n SER 2 Cb 0.00 -3.78 -0.08 0.00 -0.75 0.00 0.00 64.21 59.59 1x1g n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x1g s SER 3 N -4.09 5.97 0.00 -3.46 1.04 -1.26 -4.97 113.70 106.93 1x1g s SER 3 Ca 0.00 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1x1g s SER 3 Cb 0.00 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1x1g s SER 3 CO 0.00 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.11 1x1g n GLY 4 N 2.87 3.54 3.65 7.32 0.00 -1.26 -5.18 105.19 116.12 1x1g n GLY 4 Ca -0.18 -1.31 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 1x1g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1g s SER 5 N 0.00 -0.02 -0.26 1.61 0.15 -1.26 -5.16 113.70 108.76 1x1g s SER 5 Ca 0.00 0.02 -0.09 0.00 0.70 0.00 0.00 55.95 56.58 1x1g s SER 5 Cb 0.00 0.02 0.11 0.00 -1.71 0.00 0.00 66.02 64.44 1x1g s SER 5 CO 0.00 -0.02 0.56 -0.44 1.20 0.00 0.00 173.24 174.54 1x1g s SER 6 N -1.10 -0.80 0.09 5.45 0.01 -1.26 -5.16 113.70 110.93 1x1g s SER 6 Ca 0.10 1.34 -0.04 0.00 1.31 0.00 0.00 55.95 58.66 1x1g s SER 6 Cb -0.01 1.86 0.02 0.00 0.21 0.00 0.00 66.02 68.09 1x1g s SER 6 CO -0.08 -0.22 0.21 0.61 0.41 0.00 0.00 173.24 174.16 1x1g n GLY 7 N 5.31 1.64 2.77 3.44 0.00 -1.26 -5.09 105.19 112.00 1x1g n GLY 7 Ca -0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 1x1g n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 8 N -1.07 -4.02 -3.43 1.61 7.64 -1.26 -5.03 113.62 108.06 1x1g n SER 8 Ca -0.02 1.23 -0.16 0.00 1.01 0.00 0.00 58.87 60.93 1x1g n SER 8 Cb 0.15 -4.34 -0.11 0.00 -1.01 0.00 0.00 64.21 58.90 1x1g n SER 8 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1x1g s LEU 9 N -0.83 -0.27 -0.69 -3.43 0.20 -1.26 -5.09 118.68 107.32 1x1g s LEU 9 Ca -0.15 -0.32 -0.31 0.00 0.69 0.00 0.00 54.13 54.04 1x1g s LEU 9 Cb 0.01 0.59 -0.15 0.00 -0.43 0.00 0.00 46.19 46.21 1x1g s LEU 9 CO 0.59 -0.34 2.48 -1.20 -0.29 0.00 0.00 176.35 177.59 1x1g n SER 10 N 5.33 1.28 -4.08 3.68 7.64 -1.26 -4.83 113.62 121.37 1x1g n SER 10 Ca -0.04 0.05 -0.36 0.00 1.01 0.00 0.00 58.87 59.54 1x1g n SER 10 Cb 0.48 -1.18 0.06 0.00 -1.01 0.00 0.00 64.21 62.56 1x1g n SER 10 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x1g n THR 11 N 7.52 0.00 0.00 0.44 -1.04 -1.26 -4.95 114.28 114.99 1x1g n THR 11 Ca 0.52 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1x1g n THR 11 Cb 0.22 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1x1g n THR 11 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1x1g n VAL 12 N -2.87 0.00 -0.24 12.58 3.14 -1.26 -4.73 118.33 124.95 1x1g n VAL 12 Ca -0.00 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.32 1x1g n VAL 12 Cb 0.58 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.40 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 0.95 -0.00 1.45 5.08 -1.96 -0.47 114.58 119.63 1x1g h GLU 13 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1x1g h GLU 13 Cb 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1x1g h GLU 13 CO 0.00 0.72 -0.03 1.28 -1.00 0.00 0.00 179.01 179.98 1x1g n LEU 14 N -4.50 0.08 -2.30 1.33 4.77 -1.26 -3.85 117.00 111.26 1x1g n LEU 14 Ca 0.05 0.29 -0.22 0.00 -0.03 0.00 0.00 56.01 56.10 1x1g n LEU 14 Cb 0.10 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1x1g n LEU 14 CO 0.38 0.02 1.53 -1.54 -1.33 0.00 0.00 177.39 176.44 1x1g n SER 15 N -1.30 6.24 -4.42 -1.43 3.41 -0.18 -4.89 113.62 111.06 1x1g n SER 15 Ca 0.12 -3.05 -0.25 0.00 -0.26 0.00 0.00 58.87 55.43 1x1g n SER 15 Cb 0.27 -1.24 -0.11 0.00 -0.26 0.00 0.00 64.21 62.87 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x1g s GLY 16 N 0.63 1.69 0.07 5.00 0.00 -1.25 -3.80 107.32 109.66 1x1g s GLY 16 Ca 0.55 -1.67 -0.31 0.00 0.00 0.00 0.00 44.72 43.30 1x1g s GLY 16 CO -0.15 -1.71 1.38 -1.59 0.00 0.00 0.00 173.10 171.02 1x1g s THR 17 N -1.95 3.53 0.03 0.90 2.01 0.17 -4.43 115.64 115.90 1x1g s THR 17 Ca 0.22 1.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 1x1g s THR 17 Cb -0.07 -3.67 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1x1g s THR 17 CO 0.10 0.05 1.83 -0.69 -0.69 0.00 0.00 174.62 175.22 1x1g s VAL 18 N 1.58 3.09 -0.08 3.82 1.01 -1.26 0.15 120.40 128.71 1x1g s VAL 18 Ca 0.64 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.93 1x1g s VAL 18 Cb -0.34 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 1x1g s VAL 18 CO 0.29 -0.02 0.01 1.33 0.00 0.00 0.00 175.10 176.71 1x1g n VAL 19 N 5.30 0.56 -3.76 2.92 0.24 -0.19 -4.92 118.33 118.49 1x1g n VAL 19 Ca 0.18 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 1x1g n VAL 19 Cb 0.41 -0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 31.88 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 -2.20 0.43 0.01 7.34 2.47 -1.16 -5.02 119.74 121.62 1x1g s LYS 20 Ca -0.06 0.40 -0.11 0.00 -1.56 0.00 0.00 55.97 54.64 1x1g s LYS 20 Cb 0.03 0.21 0.01 0.00 -1.46 0.00 0.00 37.83 36.61 1x1g s LYS 20 CO 0.32 -0.06 0.21 -0.65 0.16 0.00 0.00 175.35 175.33 1x1g s GLN 21 N 0.00 0.61 0.00 4.03 -0.21 -1.26 0.19 119.66 123.02 1x1g s GLN 21 Ca -0.02 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1x1g s GLN 21 Cb -0.03 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.24 1x1g s GLN 21 CO 0.01 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.43 1x1g n GLY 22 N 1.17 -2.00 3.61 3.09 0.00 -0.97 -5.01 105.19 105.08 1x1g n GLY 22 Ca -0.21 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.04 3.14 0.36 1.61 1.51 -1.26 -0.93 117.35 119.74 1x1g s TYR 23 Ca 0.00 0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 1x1g s TYR 23 Cb 0.00 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 1x1g s TYR 23 CO 0.00 0.24 0.07 -0.51 -1.11 0.00 0.00 175.55 174.23 1x1g s LEU 24 N -0.20 2.18 -0.37 -1.29 1.43 0.11 -4.46 118.68 116.08 1x1g s LEU 24 Ca 0.05 -1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 51.68 1x1g s LEU 24 Cb -0.12 -0.37 0.10 0.00 0.03 0.00 0.00 46.19 45.82 1x1g s LEU 24 CO 0.02 -0.69 0.12 0.00 0.23 0.00 0.00 176.35 176.03 1x1g s ALA 25 N -3.21 3.02 -0.55 4.21 0.00 -1.20 0.21 121.76 124.24 1x1g s ALA 25 Ca 0.31 -2.38 -0.22 0.00 0.00 0.00 0.00 51.96 49.68 1x1g s ALA 25 Cb 0.07 -2.20 0.06 0.00 0.00 0.00 0.00 23.12 21.04 1x1g s ALA 25 CO 0.15 -1.67 0.80 0.21 0.00 0.00 0.00 175.76 175.25 1x1g s LYS 26 N 1.10 3.20 0.13 0.00 2.20 -0.89 -2.34 119.74 123.13 1x1g s LYS 26 Ca 0.06 -0.67 -0.32 0.00 -0.36 0.00 0.00 55.97 54.68 1x1g s LYS 26 Cb -0.21 -4.11 -0.10 0.00 -1.51 0.00 0.00 37.83 31.89 1x1g s LYS 26 CO -0.05 -1.44 1.53 0.37 -0.36 0.00 0.00 175.35 175.40 1x1g h GLN 27 N 9.22 -0.34 -6.35 4.03 4.15 -1.76 -3.31 115.11 120.75 1x1g h GLN 27 Ca -0.27 0.02 -0.34 0.00 0.77 0.00 0.00 58.65 58.83 1x1g h GLN 27 Cb 1.08 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1x1g h GLN 27 CO 1.05 -0.22 -0.82 0.41 -1.93 0.00 0.00 178.83 177.32 1x1g n GLY 28 N -1.35 -1.17 3.43 2.39 0.00 -1.26 -4.37 105.19 102.85 1x1g n GLY 28 Ca -0.03 0.64 -0.52 0.00 0.00 0.00 0.00 46.02 46.11 1x1g n GLY 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x1g n HIS 29 N -2.14 1.57 0.00 1.61 -0.00 -1.26 -4.34 115.22 110.66 1x1g n HIS 29 Ca -0.21 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.33 1x1g n HIS 29 Cb 0.64 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 1x1g n HIS 29 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1x1g n LYS 30 N 7.92 0.00 0.12 1.57 -0.00 -1.26 -5.05 118.16 121.46 1x1g n LYS 30 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.73 1x1g n LYS 30 Cb 0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.21 1x1g n LYS 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x1g n ARG 31 N -1.92 0.00 -3.22 -1.58 1.74 -1.26 -5.09 116.66 105.32 1x1g n ARG 31 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1x1g n ARG 31 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1x1g n ARG 31 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1x1g s LYS 32 N -2.00 4.13 0.19 5.56 3.01 -1.26 -4.96 119.74 124.41 1x1g s LYS 32 Ca 0.00 0.39 -0.21 0.00 -1.01 0.00 0.00 55.97 55.14 1x1g s LYS 32 Cb 0.00 -3.61 0.13 0.00 -1.01 0.00 0.00 37.83 33.34 1x1g s LYS 32 CO 0.00 -0.27 1.57 -0.91 0.51 0.00 0.00 175.35 176.25 1x1g h ASN 33 N 7.76 -1.31 -3.58 2.83 4.21 -1.92 -3.41 115.58 120.16 1x1g h ASN 33 Ca -0.31 0.25 -0.17 0.00 1.21 0.00 0.00 56.30 57.28 1x1g h ASN 33 Cb 1.14 0.65 -0.27 0.00 -1.12 0.00 0.00 38.32 38.72 1x1g h ASN 33 CO 0.73 -0.30 -0.43 0.26 -1.29 0.00 0.00 177.43 176.40 1x1g s TRP 34 N -5.95 -0.33 -0.02 1.19 0.52 -1.26 -4.40 118.94 108.69 1x1g s TRP 34 Ca -0.14 0.78 0.01 0.00 0.02 0.00 0.00 56.10 56.77 1x1g s TRP 34 Cb 0.16 0.09 0.01 0.00 -1.15 0.00 0.00 33.47 32.58 1x1g s TRP 34 CO 0.69 -0.19 -0.04 0.15 0.02 0.00 0.00 176.95 177.58 1x1g s LYS 35 N 0.71 0.47 0.37 4.98 1.02 -1.25 -5.00 119.74 121.05 1x1g s LYS 35 Ca -0.05 -0.10 -0.27 0.00 0.02 0.00 0.00 55.97 55.57 1x1g s LYS 35 Cb -0.06 -0.51 -0.10 0.00 -0.52 0.00 0.00 37.83 36.65 1x1g s LYS 35 CO -0.04 0.01 1.34 0.08 -0.92 0.00 0.00 175.35 175.82 1x1g s VAL 36 N 0.37 2.54 -0.11 3.17 1.01 -1.26 -2.10 120.40 124.02 1x1g s VAL 36 Ca -0.04 0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1x1g s VAL 36 Cb -0.07 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.03 1x1g s VAL 36 CO -0.00 0.10 0.28 -0.60 0.00 0.00 0.00 175.10 174.88 1x1g s ARG 37 N -2.05 0.28 -0.58 2.72 6.06 0.56 -4.49 118.95 121.45 1x1g s ARG 37 Ca 0.53 0.50 -0.28 0.00 -2.50 0.00 0.00 55.73 53.98 1x1g s ARG 37 Cb -0.40 0.02 0.01 0.00 0.06 0.00 0.00 34.95 34.63 1x1g s ARG 37 CO 0.53 -0.11 1.49 0.50 -2.50 0.00 0.00 175.30 175.21 1x1g s ARG 38 N 0.77 3.18 -0.13 5.12 3.52 -0.69 0.06 118.95 130.78 1x1g s ARG 38 Ca -0.05 0.44 -0.12 0.00 -0.13 0.00 0.00 55.73 55.87 1x1g s ARG 38 Cb -0.06 -4.18 -0.05 0.00 -1.56 0.00 0.00 34.95 29.10 1x1g s ARG 38 CO -0.05 -2.09 0.25 -0.06 -0.81 0.00 0.00 175.30 172.54 1x1g s PHE 39 N 6.55 3.54 -0.01 5.12 0.40 -0.10 -1.08 117.98 132.39 1x1g s PHE 39 Ca 0.54 0.61 0.07 0.00 -0.60 0.00 0.00 56.93 57.55 1x1g s PHE 39 Cb -0.11 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 1x1g s PHE 39 CO 0.23 0.45 -0.24 0.54 0.70 0.00 0.00 175.22 176.91 1x1g s VAL 40 N -0.22 2.29 -0.09 -0.44 0.11 0.25 -2.29 120.40 120.00 1x1g s VAL 40 Ca 0.16 -1.10 0.03 0.00 -2.93 0.00 0.00 61.98 58.14 1x1g s VAL 40 Cb -0.13 -1.84 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 1x1g s VAL 40 CO 0.05 0.53 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.96 1x1g s LEU 41 N -0.79 2.52 0.31 2.54 0.20 0.51 -2.14 118.68 121.84 1x1g s LEU 41 Ca 0.11 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.60 1x1g s LEU 41 Cb -0.10 -1.52 -0.04 0.00 -0.43 0.00 0.00 46.19 44.09 1x1g s LEU 41 CO 0.00 0.23 0.12 -0.13 -0.29 0.00 0.00 176.35 176.29 1x1g s ARG 42 N -0.05 1.61 -0.09 1.98 0.52 -0.87 -1.02 118.95 121.04 1x1g s ARG 42 Ca -0.04 -1.92 -0.13 0.00 -0.52 0.00 0.00 55.73 53.12 1x1g s ARG 42 Cb -0.14 -0.34 0.03 0.00 0.52 0.00 0.00 34.95 35.02 1x1g s ARG 42 CO 0.04 -0.38 0.33 -1.59 0.02 0.00 0.00 175.30 173.73 1x1g s LYS 43 N -3.86 0.50 -0.54 3.54 -2.85 0.12 -3.60 119.74 113.05 1x1g s LYS 43 Ca 0.34 0.24 -0.20 0.00 -1.00 0.00 0.00 55.97 55.36 1x1g s LYS 43 Cb 0.06 0.23 0.03 0.00 -2.06 0.00 0.00 37.83 36.09 1x1g s LYS 43 CO 0.16 -0.10 0.64 -3.47 0.10 0.00 0.00 175.35 172.68 1x1g n ASP 44 N 2.30 -6.67 -4.64 0.03 2.03 -1.26 0.46 116.55 108.80 1x1g n ASP 44 Ca -0.16 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.86 1x1g n ASP 44 Cb 0.57 -3.59 0.15 0.00 -0.72 0.00 0.00 41.12 37.53 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 0.89 -0.48 -0.67 0.04 -1.25 -3.96 135.00 126.63 1x1g s PRO 45 Ca 0.23 0.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.28 1x1g s PRO 45 Cb -0.04 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.74 1x1g s PRO 45 CO 0.82 -2.35 0.48 0.00 0.04 0.00 0.00 177.00 175.99 1x1g s ALA 46 N -3.32 3.49 0.22 8.56 0.00 -1.26 -4.55 121.76 124.90 1x1g s ALA 46 Ca 0.65 -1.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 1x1g s ALA 46 Cb -0.13 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1x1g s ALA 46 CO 0.53 -1.82 0.47 -0.06 0.00 0.00 0.00 175.76 174.88 1x1g s PHE 47 N 2.03 0.22 -0.14 0.00 0.40 -1.24 -3.31 117.98 115.94 1x1g s PHE 47 Ca 0.09 -0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 55.79 1x1g s PHE 47 Cb -0.22 0.22 0.06 0.00 0.51 0.00 0.00 43.02 43.60 1x1g s PHE 47 CO 0.09 -0.94 0.14 -1.17 0.70 0.00 0.00 175.22 174.04 1x1g s LEU 48 N -2.97 0.09 0.35 -0.37 2.96 -1.16 -2.04 118.68 115.53 1x1g s LEU 48 Ca 0.18 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 53.98 1x1g s LEU 48 Cb -0.00 0.07 -0.06 0.00 0.50 0.00 0.00 46.19 46.70 1x1g s LEU 48 CO 0.04 -0.31 0.02 -1.00 -1.32 0.00 0.00 176.35 173.78 1x1g s HIS 49 N 2.23 2.54 0.19 5.38 3.76 -0.91 -2.82 115.29 125.66 1x1g s HIS 49 Ca 0.04 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 1x1g s HIS 49 Cb -0.14 -1.52 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 1x1g s HIS 49 CO -0.08 0.47 0.23 2.48 -0.85 0.00 0.00 174.74 176.98 1x1g n TYR 50 N -0.96 -0.79 -3.58 1.40 0.18 -1.26 0.86 117.16 113.00 1x1g n TYR 50 Ca -0.04 -1.38 -0.17 0.00 1.88 0.00 0.00 57.90 58.19 1x1g n TYR 50 Cb 0.63 0.25 -0.07 0.00 -0.38 0.00 0.00 39.34 39.77 1x1g n TYR 50 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1x1g s TYR 51 N -3.45 -0.59 -0.18 -3.48 1.51 -0.24 -2.47 117.35 108.45 1x1g s TYR 51 Ca 0.18 1.09 -0.27 0.00 -1.01 0.00 0.00 57.07 57.06 1x1g s TYR 51 Cb 0.00 0.33 -0.01 0.00 -0.11 0.00 0.00 41.96 42.18 1x1g s TYR 51 CO 0.13 -0.53 0.93 0.34 -1.11 0.00 0.00 175.55 175.31 1x1g s ASP 52 N -0.96 7.04 0.09 2.29 2.15 -1.26 -1.70 116.67 124.32 1x1g s ASP 52 Ca -0.10 1.29 0.23 0.00 0.43 0.00 0.00 52.55 54.40 1x1g s ASP 52 Cb -0.02 -2.50 0.92 0.00 -0.30 0.00 0.00 42.92 41.03 1x1g s ASP 52 CO 0.08 -0.50 1.72 -0.81 -0.17 0.00 0.00 175.17 175.48 1x1g n PRO 53 N 5.60 0.09 0.07 4.34 -0.04 -1.26 -2.57 135.00 141.22 1x1g n PRO 53 Ca 0.08 0.20 -0.05 0.00 -0.04 0.00 0.00 63.50 63.68 1x1g n PRO 53 Cb 0.48 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 1x1g n PRO 53 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x1g h SER 54 N 0.00 0.00 -4.33 3.54 0.87 -1.90 -3.46 113.55 108.27 1x1g h SER 54 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1x1g h SER 54 Cb 0.44 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1x1g h SER 54 CO 0.00 0.90 -0.00 0.29 -0.53 0.00 0.00 176.83 177.49 1x1g n LYS 55 N -3.31 0.79 -3.33 2.24 4.76 -1.06 -5.12 118.16 113.13 1x1g n LYS 55 Ca -0.00 -0.65 -0.11 0.00 -2.87 0.00 0.00 58.31 54.68 1x1g n LYS 55 Cb 0.90 -0.08 -0.07 0.00 -1.84 0.00 0.00 35.03 33.95 1x1g n LYS 55 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1x1g s GLU 56 N -2.68 0.42 0.18 1.97 2.02 -1.26 -4.93 118.70 114.42 1x1g s GLU 56 Ca 0.13 -0.01 -0.18 0.00 0.02 0.00 0.00 54.97 54.93 1x1g s GLU 56 Cb -0.01 -0.40 0.03 0.00 0.10 0.00 0.00 34.13 33.85 1x1g s GLU 56 CO 0.09 -1.05 0.51 -2.00 0.02 0.00 0.00 175.26 172.83 1x1g s GLU 57 N 2.41 1.33 -0.24 1.61 2.12 -1.26 -5.02 118.70 119.64 1x1g s GLU 57 Ca 0.10 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.71 1x1g s GLU 57 Cb -0.13 0.52 0.61 0.00 0.26 0.00 0.00 34.13 35.39 1x1g s GLU 57 CO -0.28 -0.56 1.55 0.09 -0.54 0.00 0.00 175.26 175.52 1x1g n ASN 58 N -0.33 4.37 -4.15 -1.70 3.02 -1.26 -4.88 115.26 110.33 1x1g n ASN 58 Ca -0.11 -2.89 -0.20 0.00 -0.03 0.00 0.00 54.58 51.34 1x1g n ASN 58 Cb 0.63 -0.68 -0.13 0.00 -0.61 0.00 0.00 39.78 38.98 1x1g n ASN 58 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x1g s ARG 59 N -2.44 0.95 0.69 3.52 1.81 -1.26 -5.15 118.95 117.08 1x1g s ARG 59 Ca 0.43 -0.77 -0.11 0.00 -1.72 0.00 0.00 55.73 53.56 1x1g s ARG 59 Cb 0.34 -0.96 0.01 0.00 -0.45 0.00 0.00 34.95 33.89 1x1g s ARG 59 CO 0.11 0.24 1.06 -1.25 -0.68 0.00 0.00 175.30 174.78 1x1g s PRO 60 N -1.15 2.95 0.21 3.54 0.04 -1.26 -4.86 135.00 134.47 1x1g s PRO 60 Ca 0.02 0.96 0.08 0.00 0.04 0.00 0.00 61.00 62.10 1x1g s PRO 60 Cb -0.08 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.59 1x1g s PRO 60 CO 0.01 -1.09 1.47 0.28 0.04 0.00 0.00 177.00 177.72 1x1g h VAL 61 N -0.68 1.54 0.00 -0.36 2.07 -1.84 -3.48 116.25 113.50 1x1g h VAL 61 Ca -0.44 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.47 1x1g h VAL 61 Cb 1.21 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1x1g h VAL 61 CO 0.57 0.75 0.00 0.61 0.02 0.00 0.00 177.57 179.52 1x1g n GLY 62 N 0.69 1.43 0.00 2.17 0.00 -1.26 -5.10 105.19 103.12 1x1g n GLY 62 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 3.29 3.43 -0.02 0.00 -1.26 -4.67 105.19 105.96 1x1g n GLY 63 Ca 0.00 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.48 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 2.03 0.62 1.61 -0.71 -1.13 -4.99 117.98 115.42 1x1g s PHE 64 Ca 0.00 -0.54 -0.14 0.00 -1.04 0.00 0.00 56.93 55.21 1x1g s PHE 64 Cb 0.00 -1.02 -0.02 0.00 -1.21 0.00 0.00 43.02 40.76 1x1g s PHE 64 CO 0.00 0.46 1.05 -1.54 -1.34 0.00 0.00 175.22 173.86 1x1g s SER 65 N -3.45 5.69 -0.13 1.98 1.04 -1.26 -3.01 113.70 114.56 1x1g s SER 65 Ca 0.28 1.73 0.04 0.00 0.48 0.00 0.00 55.95 58.48 1x1g s SER 65 Cb -0.00 -2.52 -0.11 0.00 0.10 0.00 0.00 66.02 63.49 1x1g s SER 65 CO 0.12 -1.23 -0.07 0.18 0.98 0.00 0.00 173.24 173.22 1x1g n LEU 66 N -2.39 1.92 0.00 2.42 4.77 -1.21 -4.54 117.00 117.97 1x1g n LEU 66 Ca 0.08 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1x1g n LEU 66 Cb 0.53 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1x1g n LEU 66 CO 0.50 0.58 0.44 0.54 -1.33 0.00 0.00 177.39 178.11 1x1g n ARG 67 N -2.74 0.00 -1.67 3.23 5.12 -1.26 -0.50 116.66 118.84 1x1g n ARG 67 Ca -0.23 0.87 -0.31 0.00 -1.93 0.00 0.00 57.85 56.25 1x1g n ARG 67 Cb 0.80 -1.32 -0.04 0.00 -1.16 0.00 0.00 32.46 30.75 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 -1.00 4.66 1.72 -0.13 0.00 -1.26 -4.54 105.19 104.64 1x1g n GLY 68 Ca 0.00 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 1x1g n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 69 N 1.12 0.75 -3.59 1.61 7.64 0.35 -0.36 113.62 121.14 1x1g n SER 69 Ca 0.53 -2.13 -0.14 0.00 1.01 0.00 0.00 58.87 58.15 1x1g n SER 69 Cb 0.45 0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 64.21 1x1g n SER 69 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1x1g s LEU 70 N 0.00 0.02 -0.00 -3.43 1.98 0.33 -4.88 118.68 112.69 1x1g s LEU 70 Ca 0.13 0.14 0.01 0.00 -2.89 0.00 0.00 54.13 51.52 1x1g s LEU 70 Cb 0.01 2.05 -0.00 0.00 0.66 0.00 0.00 46.19 48.91 1x1g s LEU 70 CO 0.09 -0.71 -0.02 0.54 -1.89 0.00 0.00 176.35 174.36 1x1g s VAL 71 N -2.44 0.17 0.16 1.68 0.11 -1.26 0.87 120.40 119.69 1x1g s VAL 71 Ca -0.05 -0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 58.77 1x1g s VAL 71 Cb -0.01 -0.16 -0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1x1g s VAL 71 CO -0.02 0.03 0.32 -0.44 -3.33 0.00 0.00 175.10 171.66 1x1g s SER 72 N -0.11 -0.00 0.25 3.54 0.01 0.28 -4.94 113.70 112.73 1x1g s SER 72 Ca 0.00 -0.79 0.05 0.00 1.31 0.00 0.00 55.95 56.53 1x1g s SER 72 Cb -0.01 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.64 1x1g s SER 72 CO -0.00 -0.91 0.36 0.00 0.41 0.00 0.00 173.24 173.11 1x1g s ALA 73 N -3.94 3.94 -0.13 1.44 0.00 -1.26 -0.39 121.76 121.41 1x1g s ALA 73 Ca 0.15 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1x1g s ALA 73 Cb 0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1x1g s ALA 73 CO -0.01 0.21 0.06 -0.51 0.00 0.00 0.00 175.76 175.51 1x1g s LEU 74 N -3.99 3.87 0.06 0.00 1.43 -1.19 -4.81 118.68 114.05 1x1g s LEU 74 Ca 0.35 0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 53.38 1x1g s LEU 74 Cb -0.09 -1.94 0.09 0.00 0.03 0.00 0.00 46.19 44.29 1x1g s LEU 74 CO 0.29 0.31 1.18 -1.61 0.23 0.00 0.00 176.35 176.75 1x1g s GLU 75 N -0.46 0.73 0.00 1.70 0.41 -1.26 -4.74 118.70 115.07 1x1g s GLU 75 Ca 0.10 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 1x1g s GLU 75 Cb -0.12 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.45 1x1g s GLU 75 CO 0.02 -0.34 0.00 -3.47 -0.49 0.00 0.00 175.26 170.98 1x1g n ASP 76 N -0.82 0.00 -4.69 -0.19 2.03 -1.26 -4.77 116.55 106.86 1x1g n ASP 76 Ca -0.04 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.89 1x1g n ASP 76 Cb 0.61 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.94 1x1g n ASP 76 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1x1g s ASN 77 N 0.00 6.63 0.00 1.67 2.47 -1.26 -5.03 114.94 119.42 1x1g s ASN 77 Ca 0.00 0.76 0.00 0.00 0.42 0.00 0.00 52.86 54.04 1x1g s ASN 77 Cb 0.00 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 1x1g s ASN 77 CO 0.00 -0.12 0.00 0.61 -3.72 0.00 0.00 177.10 173.87 1x1g n GLY 78 N 3.62 -2.11 3.75 1.21 0.00 -1.26 -4.75 105.19 105.64 1x1g n GLY 78 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1x1g n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1g s VAL 79 N 0.00 3.79 0.88 1.61 1.01 -1.26 -4.95 120.40 121.48 1x1g s VAL 79 Ca 0.00 1.66 -0.15 0.00 0.00 0.00 0.00 61.98 63.49 1x1g s VAL 79 Cb 0.00 -4.06 0.21 0.00 0.00 0.00 0.00 36.38 32.53 1x1g s VAL 79 CO 0.00 0.34 0.97 -0.81 0.00 0.00 0.00 175.10 175.60 1x1g n PRO 80 N 1.85 -1.86 -1.66 2.72 -0.04 -1.26 -4.90 135.00 129.85 1x1g n PRO 80 Ca 0.01 -1.52 -0.53 0.00 -0.04 0.00 0.00 63.50 61.41 1x1g n PRO 80 Cb 0.46 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 1x1g n PRO 80 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1x1g n THR 81 N -3.92 0.21 0.00 0.52 -1.04 -1.26 -4.18 114.28 104.61 1x1g n THR 81 Ca 0.13 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1x1g n THR 81 Cb 0.46 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 1x1g n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x1g n GLY 82 N 3.57 0.29 3.14 3.41 0.00 -1.26 -4.82 105.19 109.52 1x1g n GLY 82 Ca 0.22 0.43 -0.00 0.00 0.00 0.00 0.00 46.02 46.67 1x1g n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 83 N 0.00 -2.66 -0.34 1.61 0.31 -1.26 -4.76 118.33 111.23 1x1g n VAL 83 Ca 0.00 0.56 -0.09 0.00 -0.01 0.00 0.00 64.34 64.80 1x1g n VAL 83 Cb 0.00 -3.24 -0.08 0.00 -0.91 0.00 0.00 33.84 29.61 1x1g n VAL 83 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1x1g n LYS 84 N 1.39 -0.36 0.00 5.55 4.76 -1.26 -4.39 118.16 123.85 1x1g n LYS 84 Ca -0.00 1.36 0.00 0.00 -2.87 0.00 0.00 58.31 56.79 1x1g n LYS 84 Cb 0.41 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x1g n GLY 85 N -1.20 -1.73 0.00 0.72 0.00 -1.26 -5.09 105.19 96.62 1x1g n GLY 85 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 -2.54 1.61 0.23 -1.26 -4.98 115.26 108.32 1x1g n ASN 86 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.99 1x1g n ASN 86 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 1x1g n ASN 86 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1x1g n VAL 87 N 0.00 0.00 -3.28 3.53 0.24 -1.26 -5.09 118.33 112.47 1x1g n VAL 87 Ca 0.00 -0.32 -0.01 0.00 -2.04 0.00 0.00 64.34 61.97 1x1g n VAL 87 Cb 0.00 -1.49 0.01 0.00 -1.47 0.00 0.00 33.84 30.89 1x1g n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x1g n GLN 88 N -1.51 0.19 0.00 7.34 -0.00 -1.26 -4.85 117.38 117.28 1x1g n GLN 88 Ca 0.04 -0.38 0.00 0.00 -0.00 0.00 0.00 57.00 56.66 1x1g n GLN 88 Cb 0.14 0.48 0.00 0.00 -0.00 0.00 0.00 30.24 30.86 1x1g n GLN 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x1g n GLY 89 N -0.12 2.00 1.00 2.61 0.00 -1.26 -4.38 105.19 105.06 1x1g n GLY 89 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 4.07 -1.64 -0.74 1.61 4.13 -1.26 -5.09 115.26 116.34 1x1g n ASN 90 Ca 0.00 0.57 0.07 0.00 1.68 0.00 0.00 54.58 56.90 1x1g n ASN 90 Cb 0.00 1.77 -0.02 0.00 -1.54 0.00 0.00 39.78 40.00 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 -2.97 0.00 -3.47 3.41 4.32 -1.26 -3.40 117.00 113.63 1x1g n LEU 91 Ca 0.00 0.55 -0.10 0.00 -0.02 0.00 0.00 56.01 56.44 1x1g n LEU 91 Cb 0.00 -1.68 -0.02 0.00 -1.62 0.00 0.00 43.42 40.10 1x1g n LEU 91 CO 0.00 -1.35 0.53 0.72 -1.22 0.00 0.00 177.39 176.07 1x1g s PHE 92 N -1.04 -0.45 0.25 -1.77 -0.12 -1.01 -3.15 117.98 110.69 1x1g s PHE 92 Ca 0.00 0.26 0.11 0.00 -0.05 0.00 0.00 56.93 57.25 1x1g s PHE 92 Cb 0.00 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 1x1g s PHE 92 CO 0.00 -0.72 -0.19 -1.59 -0.05 0.00 0.00 175.22 172.67 1x1g s LYS 93 N -3.47 1.57 -0.18 1.99 0.00 0.47 -0.41 119.74 119.71 1x1g s LYS 93 Ca 0.03 -1.70 -0.01 0.00 0.00 0.00 0.00 55.97 54.30 1x1g s LYS 93 Cb -0.01 -1.60 0.05 0.00 0.00 0.00 0.00 37.83 36.26 1x1g s LYS 93 CO -0.11 0.30 -0.04 0.08 0.00 0.00 0.00 175.35 175.58 1x1g s VAL 94 N -2.54 1.07 -0.55 1.79 1.01 -0.49 -0.55 120.40 120.14 1x1g s VAL 94 Ca 0.27 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1x1g s VAL 94 Cb -0.04 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 35.09 1x1g s VAL 94 CO 0.12 0.04 0.72 -0.63 0.00 0.00 0.00 175.10 175.36 1x1g s ILE 95 N 1.64 4.74 0.91 2.22 1.01 0.25 -0.69 121.20 131.27 1x1g s ILE 95 Ca -0.01 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 1x1g s ILE 95 Cb -0.16 -4.41 0.18 0.00 0.01 0.00 0.00 42.46 38.07 1x1g s ILE 95 CO -0.07 -0.99 1.26 0.42 0.00 0.00 0.00 174.94 175.56 1x1g s THR 96 N 2.98 2.02 0.53 2.92 -4.23 -0.85 0.12 115.64 119.14 1x1g s THR 96 Ca 0.17 -0.08 0.32 0.00 -1.18 0.00 0.00 61.69 60.93 1x1g s THR 96 Cb -0.19 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 71.03 1x1g s THR 96 CO 0.12 0.00 1.98 0.50 -0.54 0.00 0.00 174.62 176.68 1x1g h LYS 97 N -1.43 0.00 -0.59 3.99 3.64 -1.05 1.20 116.57 122.32 1x1g h LYS 97 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1x1g h LYS 97 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1x1g h LYS 97 CO 0.41 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.34 1x1g n ASP 98 N -2.81 2.56 -1.74 4.20 8.00 -1.26 -4.85 116.55 120.65 1x1g n ASP 98 Ca -0.02 -2.23 -0.12 0.00 0.71 0.00 0.00 54.79 53.13 1x1g n ASP 98 Cb 0.25 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1x1g n ASP 99 N 0.39 -3.33 -4.65 -2.24 2.03 0.41 -4.88 116.55 104.29 1x1g n ASP 99 Ca 0.12 0.26 -0.40 0.00 0.52 0.00 0.00 54.79 55.29 1x1g n ASP 99 Cb 0.50 -3.04 -0.06 0.00 -0.72 0.00 0.00 41.12 37.81 1x1g n ASP 99 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x1g s THR 100 N -2.20 4.99 -0.53 5.18 2.01 -1.24 -4.80 115.64 119.04 1x1g s THR 100 Ca 0.00 1.23 -0.22 0.00 0.31 0.00 0.00 61.69 63.00 1x1g s THR 100 Cb 0.00 -3.97 0.05 0.00 0.01 0.00 0.00 72.50 68.59 1x1g s THR 100 CO 0.00 0.07 0.84 -1.00 -0.69 0.00 0.00 174.62 173.83 1x1g s HIS 101 N 2.18 2.88 -0.56 4.92 3.76 -1.25 -2.00 115.29 125.22 1x1g s HIS 101 Ca 0.29 -0.18 -0.19 0.00 -0.15 0.00 0.00 55.06 54.83 1x1g s HIS 101 Cb -0.16 -3.89 0.09 0.00 1.11 0.00 0.00 32.58 29.73 1x1g s HIS 101 CO 0.10 -1.24 0.66 0.71 -0.85 0.00 0.00 174.74 174.12 1x1g s TYR 102 N 3.51 3.03 -0.17 1.40 2.02 0.13 -4.76 117.35 122.51 1x1g s TYR 102 Ca 0.25 -0.83 -0.29 0.00 -0.37 0.00 0.00 57.07 55.83 1x1g s TYR 102 Cb -0.15 -3.83 -0.01 0.00 -0.40 0.00 0.00 41.96 37.58 1x1g s TYR 102 CO 0.17 -1.19 1.14 0.71 -1.57 0.00 0.00 175.55 174.81 1x1g s TYR 103 N 2.60 3.15 0.30 2.71 2.02 -1.26 -1.39 117.35 125.48 1x1g s TYR 103 Ca 0.12 1.28 0.06 0.00 -0.37 0.00 0.00 57.07 58.15 1x1g s TYR 103 Cb -0.23 -3.37 -0.06 0.00 -0.40 0.00 0.00 41.96 37.90 1x1g s TYR 103 CO 0.08 -1.02 -0.02 0.42 -1.57 0.00 0.00 175.55 173.45 1x1g s ILE 104 N 3.07 1.50 0.11 2.71 1.01 0.45 -3.30 121.20 126.74 1x1g s ILE 104 Ca 0.50 -2.07 0.10 0.00 0.00 0.00 0.00 60.65 59.18 1x1g s ILE 104 Cb -0.19 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1x1g s ILE 104 CO 0.12 -0.20 -0.25 -1.58 0.00 0.00 0.00 174.94 173.03 1x1g s GLN 105 N -3.78 1.40 0.22 2.79 0.74 -0.99 -2.41 119.66 117.62 1x1g s GLN 105 Ca 0.32 -1.26 0.09 0.00 0.05 0.00 0.00 55.36 54.56 1x1g s GLN 105 Cb 0.06 -1.78 -0.04 0.00 1.10 0.00 0.00 33.01 32.34 1x1g s GLN 105 CO 0.13 0.43 -0.02 0.00 -0.55 0.00 0.00 175.29 175.28 1x1g s ALA 106 N -1.03 3.13 0.14 1.58 0.00 -1.26 -3.20 121.76 121.10 1x1g s ALA 106 Ca 0.12 -1.53 -0.22 0.00 0.00 0.00 0.00 51.96 50.33 1x1g s ALA 106 Cb -0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1x1g s ALA 106 CO 0.05 0.37 1.66 0.77 0.00 0.00 0.00 175.76 178.61 1x1g h SER 107 N 2.34 -0.51 -3.89 0.00 0.02 -1.88 -3.46 113.55 106.17 1x1g h SER 107 Ca -0.46 0.10 -0.33 0.00 -0.84 0.00 0.00 61.79 60.26 1x1g h SER 107 Cb 1.23 0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.94 1x1g h SER 107 CO 0.58 -0.21 -0.29 -0.24 -1.14 0.00 0.00 176.83 175.53 1x1g n SER 108 N -5.31 0.50 -0.11 3.07 2.88 -1.26 -4.99 113.62 108.39 1x1g n SER 108 Ca -0.02 -2.35 -0.03 0.00 -1.33 0.00 0.00 58.87 55.13 1x1g n SER 108 Cb 0.23 0.80 0.19 0.00 -0.75 0.00 0.00 64.21 64.68 1x1g n SER 108 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1x1g h LYS 109 N 0.00 0.78 0.05 -1.46 3.11 -1.99 -2.25 116.57 114.82 1x1g h LYS 109 Ca -0.18 -0.17 -0.00 0.00 -2.81 0.00 0.00 60.65 57.49 1x1g h LYS 109 Cb 0.75 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1x1g h LYS 109 CO 0.27 0.74 -0.03 0.00 -2.81 0.00 0.00 179.45 177.63 1x1g h ALA 110 N 1.34 -0.07 -1.17 5.00 0.00 -1.98 -3.15 119.26 119.23 1x1g h ALA 110 Ca 0.16 -0.29 0.36 0.00 0.00 0.00 0.00 54.91 55.13 1x1g h ALA 110 Cb 0.34 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 1x1g h ALA 110 CO 0.01 -0.22 0.75 1.49 0.00 0.00 0.00 179.25 181.27 1x1g h GLU 111 N -0.72 0.22 0.20 0.00 4.57 -1.91 0.23 114.58 117.17 1x1g h GLU 111 Ca -0.01 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1x1g h GLU 111 Cb 0.60 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1x1g h GLU 111 CO 0.01 0.15 -0.10 -0.09 -1.18 0.00 0.00 179.01 177.79 1x1g h ARG 112 N 0.23 -0.27 -0.82 1.92 2.43 -1.36 -0.85 114.38 115.66 1x1g h ARG 112 Ca 0.72 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 60.11 1x1g h ARG 112 Cb 2.06 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 31.53 1x1g h ARG 112 CO -0.39 -0.18 0.16 0.00 -1.51 0.00 0.00 179.97 178.04 1x1g h ALA 113 N -1.83 1.07 -0.14 2.80 0.00 -1.22 0.50 119.26 120.44 1x1g h ALA 113 Ca -0.03 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1x1g h ALA 113 Cb 0.22 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1x1g h ALA 113 CO 0.04 -0.43 -0.45 0.93 0.00 0.00 0.00 179.25 179.34 1x1g h GLU 114 N 0.19 -0.49 -0.45 0.00 5.08 -0.84 1.54 114.58 119.61 1x1g h GLU 114 Ca 0.49 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.89 1x1g h GLU 114 Cb 0.92 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1x1g h GLU 114 CO -0.63 -0.33 0.29 -1.49 -1.00 0.00 0.00 179.01 175.84 1x1g h TRP 115 N -0.51 0.54 0.00 4.33 4.06 0.56 0.19 115.95 125.12 1x1g h TRP 115 Ca 0.07 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1x1g h TRP 115 Cb 0.64 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1x1g h TRP 115 CO -0.52 0.33 0.00 -0.89 -3.56 0.00 0.00 178.44 173.80 1x1g n ILE 116 N -4.80 0.00 -0.32 1.49 5.41 0.15 -0.70 119.36 120.60 1x1g n ILE 116 Ca 0.02 1.12 0.28 0.00 1.00 0.00 0.00 62.75 65.17 1x1g n ILE 116 Cb 0.04 -2.02 0.52 0.00 -0.71 0.00 0.00 39.64 37.46 1x1g n ILE 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x1g n GLU 117 N -0.98 -0.06 0.15 0.38 2.13 0.51 0.97 120.64 123.74 1x1g n GLU 117 Ca 0.00 1.38 -0.14 0.00 0.66 0.00 0.00 57.16 59.06 1x1g n GLU 117 Cb 0.00 -2.42 -0.07 0.00 0.27 0.00 0.00 31.44 29.22 1x1g n GLU 117 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x1g h ALA 118 N 1.97 -0.67 0.01 4.31 0.00 -0.30 -0.23 119.26 124.35 1x1g h ALA 118 Ca 0.79 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.64 1x1g h ALA 118 Cb 2.01 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 20.36 1x1g h ALA 118 CO -0.79 -0.93 -0.12 0.82 0.00 0.00 0.00 179.25 178.22 1x1g h ILE 119 N -0.63 0.69 -1.19 0.00 2.04 0.29 -0.52 117.51 118.19 1x1g h ILE 119 Ca 0.01 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.24 1x1g h ILE 119 Cb 0.64 0.69 -0.12 0.00 -0.74 0.00 0.00 36.82 37.29 1x1g h ILE 119 CO -0.17 0.00 0.76 0.11 0.00 0.00 0.00 178.15 178.85 1x1g h LYS 120 N -0.22 0.20 0.89 2.37 1.57 -0.46 0.25 116.57 121.17 1x1g h LYS 120 Ca 0.04 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1x1g h LYS 120 Cb 0.26 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1x1g h LYS 120 CO -0.11 0.13 -0.43 0.87 -0.57 0.00 0.00 179.45 179.35 1x1g h LYS 121 N 0.21 -1.15 -0.30 3.15 1.57 0.63 0.82 116.57 121.51 1x1g h LYS 121 Ca 0.73 0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.64 1x1g h LYS 121 Cb 2.12 0.26 -0.08 0.00 0.08 0.00 0.00 32.23 34.61 1x1g h LYS 121 CO -0.39 -0.76 -0.51 -0.07 -0.57 0.00 0.00 179.45 177.15 1x1g h LEU 122 N -1.22 -1.66 -1.05 2.94 -0.00 -0.33 0.30 115.31 114.29 1x1g h LEU 122 Ca -0.12 0.22 0.11 0.00 -0.00 0.00 0.00 57.88 58.09 1x1g h LEU 122 Cb 0.91 0.68 -0.08 0.00 -0.00 0.00 0.00 40.66 42.17 1x1g h LEU 122 CO 0.20 -0.42 0.63 0.71 -0.00 0.00 0.00 178.44 179.55 1x1g h THR 123 N -0.45 0.94 0.00 0.22 1.35 -1.06 -3.43 112.91 110.48 1x1g h THR 123 Ca 0.08 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1x1g h THR 123 Cb 0.62 -0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 1x1g h THR 123 CO -0.52 0.18 0.00 -0.24 -0.25 0.00 0.00 175.52 174.69 1x1g n SER 124 N -4.59 0.00 -4.63 5.36 2.88 0.28 -4.89 113.62 108.03 1x1g n SER 124 Ca 0.18 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.34 1x1g n SER 124 Cb 0.34 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.71 1x1g n SER 124 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1g s GLY 125 N 0.00 1.96 0.79 0.46 0.00 0.72 -4.37 107.32 106.88 1x1g s GLY 125 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 44.72 43.78 1x1g s GLY 125 CO 0.00 0.73 1.10 2.56 0.00 0.00 0.00 173.10 177.48 1x1g s PRO 126 N 1.58 2.13 -0.14 2.90 0.04 -1.26 -4.98 135.00 135.26 1x1g s PRO 126 Ca 0.12 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 1x1g s PRO 126 Cb -0.15 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1x1g s PRO 126 CO 0.08 -1.59 1.18 -1.54 0.04 0.00 0.00 177.00 175.17 1x1g s SER 127 N -3.90 7.03 0.45 6.66 1.04 -1.26 -4.81 113.70 118.90 1x1g s SER 127 Ca 0.61 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.69 1x1g s SER 127 Cb -0.14 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1x1g s SER 127 CO 0.54 -0.66 0.00 -1.20 0.98 0.00 0.00 173.24 172.90 1x1g n SER 128 N 6.01 -7.89 0.00 7.02 7.64 -1.26 -5.34 113.62 119.80 1x1g n SER 128 Ca 0.12 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1x1g n SER 128 Cb 0.46 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64