#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 6.92 0.26 1.61 0.01 -1.26 -4.77 113.70 116.47 1x1g s SER 2 Ca 0.00 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1x1g s SER 2 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1x1g s SER 2 CO 0.00 -0.73 0.00 -0.24 0.41 0.00 0.00 173.24 172.68 1x1g n SER 3 N 6.09 -0.21 -4.75 2.44 2.88 -1.26 -5.09 113.62 113.72 1x1g n SER 3 Ca 0.13 0.43 -0.41 0.00 -1.33 0.00 0.00 58.87 57.70 1x1g n SER 3 Cb 0.45 0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 64.28 1x1g n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x1g s GLY 4 N -4.96 2.75 -0.48 0.46 0.00 -1.26 -4.99 107.32 98.84 1x1g s GLY 4 Ca 0.00 1.02 -0.14 0.00 0.00 0.00 0.00 44.72 45.60 1x1g s GLY 4 CO 0.00 1.84 0.39 -0.45 0.00 0.00 0.00 173.10 174.88 1x1g s SER 5 N -0.11 6.06 -0.30 1.64 0.15 -1.26 -4.96 113.70 114.91 1x1g s SER 5 Ca 0.51 -1.47 -0.11 0.00 0.70 0.00 0.00 55.95 55.59 1x1g s SER 5 Cb -0.34 -2.15 0.18 0.00 -1.71 0.00 0.00 66.02 62.00 1x1g s SER 5 CO 0.40 -0.67 1.00 -0.55 1.20 0.00 0.00 173.24 174.62 1x1g s SER 6 N 2.72 -0.57 0.00 5.45 0.15 -1.26 -5.17 113.70 115.02 1x1g s SER 6 Ca 0.04 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1x1g s SER 6 Cb -0.25 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1x1g s SER 6 CO 0.05 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1x1g n GLY 7 N 5.37 1.16 3.06 9.45 0.00 -1.26 -5.06 105.19 117.92 1x1g n GLY 7 Ca -0.01 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 1x1g n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g s SER 8 N -1.00 4.99 -0.49 1.61 0.01 -1.26 -4.96 113.70 112.59 1x1g s SER 8 Ca 0.00 -2.28 0.05 0.00 1.31 0.00 0.00 55.95 55.03 1x1g s SER 8 Cb 0.00 -1.74 0.19 0.00 0.21 0.00 0.00 66.02 64.67 1x1g s SER 8 CO 0.00 -0.43 0.43 -0.11 0.41 0.00 0.00 173.24 173.54 1x1g n LEU 9 N 4.19 0.70 -2.39 2.44 0.00 -1.26 -5.01 117.00 115.66 1x1g n LEU 9 Ca 0.02 -4.68 -0.01 0.00 0.00 0.00 0.00 56.01 51.34 1x1g n LEU 9 Cb 0.40 0.18 -0.01 0.00 0.00 0.00 0.00 43.42 43.99 1x1g n LEU 9 CO 0.29 1.88 -0.47 -0.24 0.00 0.00 0.00 177.39 178.85 1x1g n SER 10 N 2.30 -7.10 -0.94 1.96 2.88 -1.26 -4.91 113.62 106.54 1x1g n SER 10 Ca 0.26 1.70 0.00 0.00 -1.33 0.00 0.00 58.87 59.50 1x1g n SER 10 Cb 0.45 -4.82 0.00 0.00 -0.75 0.00 0.00 64.21 59.09 1x1g n SER 10 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1x1g n THR 11 N 1.87 -3.04 0.03 2.46 -1.04 -1.26 -4.98 114.28 108.32 1x1g n THR 11 Ca -0.07 1.27 0.00 0.00 -2.04 0.00 0.00 64.05 63.20 1x1g n THR 11 Cb 0.11 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 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 -1.28 0.00 -0.01 12.58 3.14 -1.26 -4.73 118.33 126.78 1x1g n VAL 12 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1x1g n VAL 12 Cb 0.08 -0.07 0.27 0.00 -1.06 0.00 0.00 33.84 33.05 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 0.54 -0.00 1.45 5.08 -1.97 -0.64 114.58 119.04 1x1g h GLU 13 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1x1g h GLU 13 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1x1g h GLU 13 CO 0.00 0.60 -0.08 1.28 -1.00 0.00 0.00 179.01 179.81 1x1g n LEU 14 N -4.24 0.09 -3.54 1.33 4.32 -1.26 -4.13 117.00 109.57 1x1g n LEU 14 Ca 0.01 0.41 -0.40 0.00 -0.02 0.00 0.00 56.01 56.00 1x1g n LEU 14 Cb 0.28 -0.45 -0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1x1g n LEU 14 CO 0.40 0.02 2.40 -1.20 -1.22 0.00 0.00 177.39 177.78 1x1g n SER 15 N -1.48 7.56 -4.20 -1.43 7.64 -0.25 -4.90 113.62 116.56 1x1g n SER 15 Ca 0.07 -3.10 -0.14 0.00 1.01 0.00 0.00 58.87 56.72 1x1g n SER 15 Cb 0.33 -1.40 -0.10 0.00 -1.01 0.00 0.00 64.21 62.03 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x1g s GLY 16 N 0.59 0.91 -0.08 0.23 0.00 -1.26 -3.72 107.32 103.98 1x1g s GLY 16 Ca 0.53 -1.31 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 1x1g s GLY 16 CO -0.07 -1.40 1.63 -1.59 0.00 0.00 0.00 173.10 171.66 1x1g s THR 17 N -2.91 3.64 0.10 0.90 2.01 0.40 -4.43 115.64 115.36 1x1g s THR 17 Ca 0.10 0.77 -0.31 0.00 0.31 0.00 0.00 61.69 62.55 1x1g s THR 17 Cb 0.00 -3.51 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 1x1g s THR 17 CO -0.01 -0.09 1.86 0.52 -0.69 0.00 0.00 174.62 176.22 1x1g n VAL 18 N 5.57 0.43 -0.04 3.82 0.31 -1.26 0.21 118.33 127.37 1x1g n VAL 18 Ca 0.17 -0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 64.38 1x1g n VAL 18 Cb 0.43 -2.13 -0.06 0.00 -0.91 0.00 0.00 33.84 31.17 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 4.83 0.54 -3.74 2.52 0.24 0.44 -4.90 118.33 118.26 1x1g n VAL 19 Ca 0.19 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 1x1g n VAL 19 Cb 0.37 -0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 31.84 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 -2.19 0.50 0.03 7.34 2.47 -1.05 -5.02 119.74 121.82 1x1g s LYS 20 Ca -0.06 0.47 -0.08 0.00 -1.56 0.00 0.00 55.97 54.75 1x1g s LYS 20 Cb 0.03 0.24 -0.00 0.00 -1.46 0.00 0.00 37.83 36.63 1x1g s LYS 20 CO 0.30 -0.07 0.16 -0.65 0.16 0.00 0.00 175.35 175.24 1x1g s GLN 21 N 0.03 0.62 0.00 4.03 -0.21 -1.26 0.22 119.66 123.09 1x1g s GLN 21 Ca -0.02 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.76 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 -0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 1x1g n GLY 22 N 0.87 -0.52 3.21 3.09 0.00 -0.90 -5.00 105.19 105.95 1x1g n GLY 22 Ca -0.20 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.93 2.69 0.40 1.61 2.02 -1.26 -0.82 117.35 119.06 1x1g s TYR 23 Ca 0.00 -1.19 0.07 0.00 -0.37 0.00 0.00 57.07 55.59 1x1g s TYR 23 Cb 0.00 -1.82 -0.07 0.00 -0.40 0.00 0.00 41.96 39.67 1x1g s TYR 23 CO 0.00 -0.53 0.06 -0.51 -1.57 0.00 0.00 175.55 173.00 1x1g s LEU 24 N 0.72 2.96 -0.31 -1.29 1.43 0.24 -4.03 118.68 118.39 1x1g s LEU 24 Ca -0.09 -1.23 0.01 0.00 -1.03 0.00 0.00 54.13 51.79 1x1g s LEU 24 Cb -0.16 -1.12 0.07 0.00 0.03 0.00 0.00 46.19 45.01 1x1g s LEU 24 CO 0.01 -0.45 0.00 0.00 0.23 0.00 0.00 176.35 176.14 1x1g s ALA 25 N -2.65 2.80 -0.48 4.21 0.00 -1.00 0.20 121.76 124.85 1x1g s ALA 25 Ca 0.37 -2.03 -0.23 0.00 0.00 0.00 0.00 51.96 50.06 1x1g s ALA 25 Cb 0.07 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.31 1x1g s ALA 25 CO 0.20 -1.41 0.83 0.21 0.00 0.00 0.00 175.76 175.58 1x1g s LYS 26 N 1.12 3.39 0.49 0.00 2.20 -0.27 -1.24 119.74 125.42 1x1g s LYS 26 Ca -0.01 -0.16 -0.24 0.00 -0.36 0.00 0.00 55.97 55.20 1x1g s LYS 26 Cb -0.20 -3.97 -0.07 0.00 -1.51 0.00 0.00 37.83 32.07 1x1g s LYS 26 CO -0.04 -1.22 1.37 0.94 -0.36 0.00 0.00 175.35 176.04 1x1g n GLN 27 N 6.91 1.97 0.00 4.03 7.27 -1.06 -3.53 117.38 132.97 1x1g n GLN 27 Ca 0.02 0.71 0.00 0.00 0.07 0.00 0.00 57.00 57.80 1x1g n GLN 27 Cb 0.48 -2.57 0.00 0.00 2.41 0.00 0.00 30.24 30.56 1x1g n GLN 27 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1x1g n GLY 28 N 0.69 4.66 2.88 1.69 0.00 -1.08 -4.88 105.19 109.14 1x1g n GLY 28 Ca 0.07 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1x1g n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x1g s HIS 29 N 0.54 -0.05 0.19 1.61 -3.43 -1.26 -4.92 115.29 107.96 1x1g s HIS 29 Ca 0.00 0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 1x1g s HIS 29 Cb 0.00 -0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.07 1x1g s HIS 29 CO 0.00 -0.07 0.00 1.17 -2.00 0.00 0.00 174.74 173.84 1x1g n LYS 30 N 3.60 -1.37 -3.03 -0.38 3.00 -1.26 -4.97 118.16 113.75 1x1g n LYS 30 Ca -0.19 1.06 -0.14 0.00 -0.00 0.00 0.00 58.31 59.03 1x1g n LYS 30 Cb 0.55 -1.30 0.02 0.00 0.00 0.00 0.00 35.03 34.29 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 -1.74 -2.27 -1.01 1.64 1.74 -1.26 -4.76 116.66 108.99 1x1g n ARG 31 Ca 0.00 1.94 0.00 0.00 -0.77 0.00 0.00 57.85 59.02 1x1g n ARG 31 Cb 0.14 -4.25 0.00 0.00 -1.02 0.00 0.00 32.46 27.32 1x1g n ARG 31 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x1g n LYS 32 N 0.05 -2.82 -0.05 5.56 4.76 -1.26 -4.85 118.16 119.55 1x1g n LYS 32 Ca 0.03 2.14 -0.15 0.00 -2.87 0.00 0.00 58.31 57.46 1x1g n LYS 32 Cb 0.44 -2.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.01 1x1g n LYS 32 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1x1g h ASN 33 N 0.71 0.07 -3.59 4.39 2.35 -1.91 -3.43 115.58 114.17 1x1g h ASN 33 Ca 0.00 -0.94 -0.68 0.00 -0.55 0.00 0.00 56.30 54.13 1x1g h ASN 33 Cb 0.22 -0.02 -0.31 0.00 0.05 0.00 0.00 38.32 38.26 1x1g h ASN 33 CO 0.00 1.01 -0.71 0.26 -1.65 0.00 0.00 177.43 176.34 1x1g s TRP 34 N -2.46 3.13 -0.26 1.19 0.52 -1.26 -2.63 118.94 117.18 1x1g s TRP 34 Ca -0.18 -1.51 -0.12 0.00 0.02 0.00 0.00 56.10 54.31 1x1g s TRP 34 Cb -0.02 -2.11 -0.05 0.00 -1.15 0.00 0.00 33.47 30.14 1x1g s TRP 34 CO 0.71 -0.72 0.21 0.15 0.02 0.00 0.00 176.95 177.32 1x1g s LYS 35 N 1.34 4.02 0.34 4.98 -0.14 -1.23 -4.94 119.74 124.12 1x1g s LYS 35 Ca -0.01 -0.22 -0.27 0.00 -1.36 0.00 0.00 55.97 54.11 1x1g s LYS 35 Cb -0.17 -3.60 -0.09 0.00 -1.68 0.00 0.00 37.83 32.28 1x1g s LYS 35 CO -0.02 -0.08 1.12 0.08 -0.76 0.00 0.00 175.35 175.68 1x1g s VAL 36 N 1.47 3.42 0.01 3.17 1.01 -1.26 -1.12 120.40 127.10 1x1g s VAL 36 Ca 0.09 1.28 -0.18 0.00 0.00 0.00 0.00 61.98 63.17 1x1g s VAL 36 Cb -0.15 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1x1g s VAL 36 CO 0.08 0.19 0.39 -0.60 0.00 0.00 0.00 175.10 175.16 1x1g s ARG 37 N -1.95 0.82 -0.63 2.72 6.06 0.52 -4.75 118.95 121.74 1x1g s ARG 37 Ca 0.51 -0.24 -0.26 0.00 -2.50 0.00 0.00 55.73 53.24 1x1g s ARG 37 Cb -0.29 0.37 0.04 0.00 0.06 0.00 0.00 34.95 35.12 1x1g s ARG 37 CO 0.38 -0.26 1.11 0.50 -2.50 0.00 0.00 175.30 174.53 1x1g s ARG 38 N -1.87 3.30 -0.08 5.12 3.52 0.19 0.81 118.95 129.94 1x1g s ARG 38 Ca -0.09 -0.22 -0.12 0.00 -0.13 0.00 0.00 55.73 55.18 1x1g s ARG 38 Cb -0.02 -4.11 -0.05 0.00 -1.56 0.00 0.00 34.95 29.21 1x1g s ARG 38 CO 0.02 -1.78 0.28 -0.06 -0.81 0.00 0.00 175.30 172.95 1x1g s PHE 39 N 4.73 3.63 -0.04 5.12 0.40 0.00 0.52 117.98 132.34 1x1g s PHE 39 Ca 0.34 0.74 0.06 0.00 -0.60 0.00 0.00 56.93 57.46 1x1g s PHE 39 Cb -0.11 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.25 1x1g s PHE 39 CO 0.18 0.60 -0.22 0.54 0.70 0.00 0.00 175.22 177.03 1x1g s VAL 40 N -0.76 1.78 -0.24 -0.44 0.11 0.24 -2.11 120.40 118.98 1x1g s VAL 40 Ca 0.19 -0.93 -0.05 0.00 -2.93 0.00 0.00 61.98 58.26 1x1g s VAL 40 Cb -0.14 -1.51 -0.01 0.00 -1.53 0.00 0.00 36.38 33.19 1x1g s VAL 40 CO 0.08 0.50 0.01 -0.22 -3.33 0.00 0.00 175.10 172.14 1x1g s LEU 41 N -0.19 3.20 0.21 2.54 0.20 0.60 -2.22 118.68 123.02 1x1g s LEU 41 Ca -0.01 -0.37 0.12 0.00 0.69 0.00 0.00 54.13 54.56 1x1g s LEU 41 Cb -0.12 -1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 43.78 1x1g s LEU 41 CO 0.02 -0.05 -0.23 -0.13 -0.29 0.00 0.00 176.35 175.67 1x1g s ARG 42 N 1.53 1.56 0.02 1.98 0.52 -0.78 -0.42 118.95 123.36 1x1g s ARG 42 Ca 0.06 -1.58 0.02 0.00 -0.52 0.00 0.00 55.73 53.70 1x1g s ARG 42 Cb -0.15 -1.83 -0.01 0.00 0.52 0.00 0.00 34.95 33.48 1x1g s ARG 42 CO -0.00 0.38 -0.06 -1.59 0.02 0.00 0.00 175.30 174.05 1x1g s LYS 43 N -2.87 0.45 -0.51 3.54 -2.85 0.13 -2.72 119.74 114.91 1x1g s LYS 43 Ca 0.23 -0.44 -0.25 0.00 -1.00 0.00 0.00 55.97 54.51 1x1g s LYS 43 Cb -0.07 -0.32 0.04 0.00 -2.06 0.00 0.00 37.83 35.41 1x1g s LYS 43 CO 0.11 0.08 0.64 -0.25 0.10 0.00 0.00 175.35 176.03 1x1g n ASP 44 N 2.26 -6.36 -4.60 0.03 9.92 -1.26 0.15 116.55 116.69 1x1g n ASP 44 Ca -0.18 -0.03 -0.29 0.00 -0.53 0.00 0.00 54.79 53.76 1x1g n ASP 44 Cb 0.57 -3.09 0.15 0.00 -0.64 0.00 0.00 41.12 38.10 1x1g n ASP 44 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1x1g s PRO 45 N -2.84 0.82 -0.48 -0.24 0.04 -1.24 -3.58 135.00 127.47 1x1g s PRO 45 Ca 0.27 0.17 -0.17 0.00 0.04 0.00 0.00 61.00 61.31 1x1g s PRO 45 Cb -0.04 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.75 1x1g s PRO 45 CO 0.84 -2.39 0.47 0.00 0.04 0.00 0.00 177.00 175.95 1x1g s ALA 46 N -3.32 3.50 -0.05 8.56 0.00 -1.26 -4.61 121.76 124.58 1x1g s ALA 46 Ca 0.66 -1.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 1x1g s ALA 46 Cb -0.13 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1x1g s ALA 46 CO 0.54 -1.81 0.45 -0.06 0.00 0.00 0.00 175.76 174.88 1x1g s PHE 47 N 1.96 -0.38 -0.21 0.00 0.08 -1.10 -3.54 117.98 114.79 1x1g s PHE 47 Ca 0.08 0.67 0.01 0.00 0.12 0.00 0.00 56.93 57.81 1x1g s PHE 47 Cb -0.22 0.20 0.05 0.00 -0.57 0.00 0.00 43.02 42.48 1x1g s PHE 47 CO 0.08 -0.44 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.49 1x1g s LEU 48 N -1.07 2.46 0.16 -0.37 2.96 -1.15 -1.86 118.68 119.82 1x1g s LEU 48 Ca -0.11 -0.97 0.10 0.00 -0.22 0.00 0.00 54.13 52.93 1x1g s LEU 48 Cb -0.03 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 1x1g s LEU 48 CO 0.06 -0.15 -0.23 -1.00 -1.32 0.00 0.00 176.35 173.71 1x1g s HIS 49 N 1.35 2.11 0.02 5.38 3.76 -0.94 -1.93 115.29 125.04 1x1g s HIS 49 Ca -0.02 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1x1g s HIS 49 Cb -0.17 -1.08 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 1x1g s HIS 49 CO -0.08 0.39 -0.04 1.52 -0.85 0.00 0.00 174.74 175.68 1x1g s TYR 50 N -1.60 0.34 0.17 1.40 -0.85 -1.26 0.79 117.35 116.35 1x1g s TYR 50 Ca 0.16 -0.48 0.09 0.00 -0.52 0.00 0.00 57.07 56.32 1x1g s TYR 50 Cb -0.08 -0.23 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 1x1g s TYR 50 CO 0.08 -0.15 -0.19 0.71 -1.52 0.00 0.00 175.55 174.47 1x1g s TYR 51 N -1.33 1.90 -0.08 -3.49 1.51 0.18 0.70 117.35 116.75 1x1g s TYR 51 Ca -0.13 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.18 1x1g s TYR 51 Cb -0.09 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 1x1g s TYR 51 CO -0.01 0.36 0.98 0.34 -1.11 0.00 0.00 175.55 176.12 1x1g s ASP 52 N -2.68 7.26 0.00 2.29 2.15 -1.26 -0.64 116.67 123.79 1x1g s ASP 52 Ca 0.17 1.54 0.20 0.00 0.43 0.00 0.00 52.55 54.89 1x1g s ASP 52 Cb -0.06 -2.55 1.22 0.00 -0.30 0.00 0.00 42.92 41.23 1x1g s ASP 52 CO 0.07 -0.39 1.64 -0.81 -0.17 0.00 0.00 175.17 175.52 1x1g n PRO 53 N 4.69 0.75 -0.10 4.34 -0.04 -1.26 -3.16 135.00 140.22 1x1g n PRO 53 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1x1g n PRO 53 Cb 0.49 -1.42 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.92 1.70 -3.27 3.54 7.64 -1.26 -5.02 113.62 116.03 1x1g n SER 54 Ca 0.15 0.18 -0.22 0.00 1.01 0.00 0.00 58.87 60.00 1x1g n SER 54 Cb 0.07 -0.55 0.18 0.00 -1.01 0.00 0.00 64.21 62.89 1x1g n SER 54 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x1g n LYS 55 N -3.76 -2.40 -3.22 1.43 4.76 -1.19 -5.07 118.16 108.71 1x1g n LYS 55 Ca -0.40 -1.28 -0.02 0.00 -2.87 0.00 0.00 58.31 53.74 1x1g n LYS 55 Cb 0.81 -1.16 -0.02 0.00 -1.84 0.00 0.00 35.03 32.82 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 -4.82 0.57 -0.06 1.97 2.02 -1.26 -4.89 118.70 112.24 1x1g s GLU 56 Ca 0.51 0.18 -0.31 0.00 0.02 0.00 0.00 54.97 55.38 1x1g s GLU 56 Cb -0.05 -0.00 0.08 0.00 0.10 0.00 0.00 34.13 34.26 1x1g s GLU 56 CO 0.39 -1.08 0.72 -2.00 0.02 0.00 0.00 175.26 173.31 1x1g s GLU 57 N 2.47 1.00 -1.31 1.61 2.12 -1.26 -5.04 118.70 118.28 1x1g s GLU 57 Ca 0.11 0.25 -0.11 0.00 0.36 0.00 0.00 54.97 55.58 1x1g s GLU 57 Cb -0.10 0.47 -0.06 0.00 0.26 0.00 0.00 34.13 34.70 1x1g s GLU 57 CO -0.22 -0.31 2.48 0.09 -0.54 0.00 0.00 175.26 176.76 1x1g n ASN 58 N 0.89 6.12 -3.64 -1.70 4.13 -1.26 -4.72 115.26 115.08 1x1g n ASN 58 Ca -0.18 -2.56 -0.07 0.00 1.68 0.00 0.00 54.58 53.45 1x1g n ASN 58 Cb 0.57 -1.40 -0.07 0.00 -1.54 0.00 0.00 39.78 37.34 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 3.01 0.36 0.64 3.52 3.00 -1.26 -5.17 118.95 123.05 1x1g s ARG 59 Ca 0.56 0.41 -0.13 0.00 -1.00 0.00 0.00 55.73 55.56 1x1g s ARG 59 Cb 0.15 0.18 -0.02 0.00 0.00 0.00 0.00 34.95 35.25 1x1g s ARG 59 CO -0.04 -0.05 1.05 -1.25 0.00 0.00 0.00 175.30 175.02 1x1g s PRO 60 N 0.10 3.18 0.45 5.12 0.04 -1.26 -4.84 135.00 137.78 1x1g s PRO 60 Ca 0.04 1.07 0.22 0.00 0.04 0.00 0.00 61.00 62.37 1x1g s PRO 60 Cb -0.05 -2.02 1.07 0.00 0.04 0.00 0.00 34.50 33.54 1x1g s PRO 60 CO -0.09 -0.91 1.92 0.28 0.04 0.00 0.00 177.00 178.24 1x1g h VAL 61 N -0.09 0.78 0.00 -0.36 2.07 -0.06 -3.47 116.25 115.12 1x1g h VAL 61 Ca -0.45 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1x1g h VAL 61 Cb 1.21 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1x1g h VAL 61 CO 0.57 0.23 0.00 0.61 0.02 0.00 0.00 177.57 179.00 1x1g n GLY 62 N -0.35 0.51 0.00 2.17 0.00 -1.23 -5.06 105.19 101.22 1x1g n GLY 62 Ca -0.01 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 1.83 3.29 -0.02 0.00 -1.26 -4.64 105.19 104.39 1x1g n GLY 63 Ca 0.00 -1.42 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.18 1.55 1.03 1.61 -0.71 -0.81 -4.95 117.98 115.51 1x1g s PHE 64 Ca 0.00 -0.56 -0.12 0.00 -1.04 0.00 0.00 56.93 55.21 1x1g s PHE 64 Cb 0.00 -0.78 0.21 0.00 -1.21 0.00 0.00 43.02 41.24 1x1g s PHE 64 CO 0.00 0.23 1.08 -1.54 -1.34 0.00 0.00 175.22 173.65 1x1g s SER 65 N -2.76 2.14 -0.00 1.98 1.04 -1.26 -2.93 113.70 111.91 1x1g s SER 65 Ca 0.14 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1x1g s SER 65 Cb -0.03 -2.34 -0.00 0.00 0.10 0.00 0.00 66.02 63.74 1x1g s SER 65 CO 0.04 -3.51 -0.00 0.18 0.98 0.00 0.00 173.24 170.93 1x1g n LEU 66 N -4.47 2.84 -0.32 2.42 4.77 -1.23 -4.63 117.00 116.37 1x1g n LEU 66 Ca 0.07 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1x1g n LEU 66 Cb 0.54 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1x1g n LEU 66 CO 0.55 0.48 0.50 0.03 -1.33 0.00 0.00 177.39 177.62 1x1g h ARG 67 N 0.00 -0.12 -2.16 3.23 -0.00 -1.82 0.08 114.38 113.59 1x1g h ARG 67 Ca -0.00 0.01 -0.76 0.00 -0.50 0.00 0.00 59.98 58.73 1x1g h ARG 67 Cb 1.01 0.03 -0.25 0.00 0.00 0.00 0.00 29.97 30.75 1x1g h ARG 67 CO -0.00 -0.08 1.11 0.41 0.00 0.00 0.00 179.97 181.41 1x1g n GLY 68 N -1.32 5.64 2.30 0.04 0.00 -1.26 -4.62 105.19 105.98 1x1g n GLY 68 Ca 0.01 -2.43 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.02 -0.76 -3.65 1.61 7.64 0.01 -1.42 113.62 117.04 1x1g n SER 69 Ca 0.51 -2.41 -0.11 0.00 1.01 0.00 0.00 58.87 57.88 1x1g n SER 69 Cb 0.27 1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 64.95 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 0.44 0.08 -3.43 0.20 0.28 -4.86 118.68 111.39 1x1g s LEU 70 Ca 0.23 -0.23 0.04 0.00 0.69 0.00 0.00 54.13 54.86 1x1g s LEU 70 Cb 0.00 1.77 -0.03 0.00 -0.43 0.00 0.00 46.19 47.50 1x1g s LEU 70 CO 0.17 -0.79 -0.10 0.54 -0.29 0.00 0.00 176.35 175.87 1x1g s VAL 71 N -3.38 0.89 0.03 1.68 0.11 -1.26 0.48 120.40 118.95 1x1g s VAL 71 Ca 0.00 -1.45 -0.27 0.00 -2.93 0.00 0.00 61.98 57.33 1x1g s VAL 71 Cb 0.01 -1.14 0.08 0.00 -1.53 0.00 0.00 36.38 33.80 1x1g s VAL 71 CO -0.09 -0.45 0.71 -0.44 -3.33 0.00 0.00 175.10 171.50 1x1g s SER 72 N -2.12 -0.55 0.36 3.54 0.01 0.70 -4.92 113.70 110.73 1x1g s SER 72 Ca 0.01 0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.53 1x1g s SER 72 Cb -0.06 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 1x1g s SER 72 CO 0.01 -0.73 0.59 0.00 0.41 0.00 0.00 173.24 173.52 1x1g s ALA 73 N -2.51 3.62 0.08 1.44 0.00 -1.26 0.13 121.76 123.26 1x1g s ALA 73 Ca -0.03 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1x1g s ALA 73 Cb -0.01 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1x1g s ALA 73 CO -0.03 -0.03 0.09 -0.51 0.00 0.00 0.00 175.76 175.29 1x1g s LEU 74 N -4.23 3.85 0.00 0.00 1.43 -0.13 -4.75 118.68 114.85 1x1g s LEU 74 Ca 0.42 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1x1g s LEU 74 Cb -0.10 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1x1g s LEU 74 CO 0.36 0.17 0.00 -0.62 0.23 0.00 0.00 176.35 176.49 1x1g n GLU 75 N 0.42 0.00 -2.65 1.70 1.02 -1.26 -4.34 120.64 115.53 1x1g n GLU 75 Ca -0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.02 1x1g n GLU 75 Cb 0.52 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.03 1x1g n GLU 75 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x1g n ASP 76 N 0.00 -1.07 0.00 1.62 -0.08 -1.26 -5.01 116.55 110.75 1x1g n ASP 76 Ca 0.00 -1.58 0.00 0.00 -1.51 0.00 0.00 54.79 51.70 1x1g n ASP 76 Cb 0.00 0.75 0.00 0.00 2.34 0.00 0.00 41.12 44.21 1x1g n ASP 76 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1x1g n ASN 77 N 1.10 0.00 0.00 1.67 5.15 -1.26 -3.94 115.26 117.98 1x1g n ASN 77 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1x1g n ASN 77 Cb 0.74 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.99 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x1g n GLY 78 N 0.00 -1.57 3.74 8.20 0.00 -1.26 -5.12 105.19 109.18 1x1g n GLY 78 Ca 0.00 0.43 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.40 3.01 -0.01 1.61 1.01 -1.25 -4.24 120.40 120.13 1x1g s VAL 79 Ca 0.00 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 1x1g s VAL 79 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1x1g s VAL 79 CO 0.00 0.14 0.27 1.55 0.00 0.00 0.00 175.10 177.06 1x1g h PRO 80 N 5.06 -0.04 0.00 2.72 0.13 -1.86 -3.42 132.00 134.57 1x1g h PRO 80 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1x1g h PRO 80 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x1g h PRO 80 CO 0.76 -0.03 0.00 2.41 -0.23 0.00 0.00 178.00 180.91 1x1g n THR 81 N -2.39 0.00 -3.07 1.56 -1.04 -1.26 -4.97 114.28 103.11 1x1g n THR 81 Ca -0.01 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1x1g n THR 81 Cb 0.02 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.49 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 -0.39 5.35 2.55 3.41 0.00 -1.26 -4.93 105.19 109.92 1x1g n GLY 82 Ca 0.00 -2.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.00 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 -3.43 0.04 0.71 1.61 1.01 -1.26 -5.13 120.40 113.95 1x1g s VAL 83 Ca 0.41 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 1x1g s VAL 83 Cb 0.17 -1.06 -0.15 0.00 0.00 0.00 0.00 36.38 35.34 1x1g s VAL 83 CO -0.04 -0.74 -0.40 2.29 0.00 0.00 0.00 175.10 176.20 1x1g n LYS 84 N 5.12 0.00 0.00 2.72 -0.00 -1.26 -3.57 118.16 121.17 1x1g n LYS 84 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1x1g n LYS 84 Cb 0.42 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.44 1x1g n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x1g n GLY 85 N 2.90 0.45 0.00 2.58 0.00 -1.26 -4.61 105.19 105.25 1x1g n GLY 85 Ca 0.04 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 5.73 0.00 -3.58 1.61 0.23 -1.23 -4.69 115.26 113.34 1x1g n ASN 86 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.75 1x1g n ASN 86 Cb 0.00 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 37.99 1x1g n ASN 86 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1x1g s VAL 87 N -0.81 1.29 0.00 3.53 -7.23 -1.26 -4.98 120.40 110.94 1x1g s VAL 87 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1x1g s VAL 87 Cb 0.00 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.94 1x1g s VAL 87 CO 0.00 0.00 0.24 0.00 -0.31 0.00 0.00 175.10 175.03 1x1g n GLN 88 N -5.66 0.00 0.00 4.82 1.13 -1.26 -4.93 117.38 111.48 1x1g n GLN 88 Ca 0.11 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1x1g n GLN 88 Cb 0.59 -0.74 0.00 0.00 0.11 0.00 0.00 30.24 30.20 1x1g n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x1g n GLY 89 N 1.04 2.55 3.88 1.08 0.00 -1.26 -5.03 105.19 107.46 1x1g n GLY 89 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.44 -1.96 1.61 3.02 -1.26 -4.94 115.26 109.29 1x1g n ASN 90 Ca 0.00 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1x1g n ASN 90 Cb 0.00 -2.96 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x1g n LEU 91 N -4.41 0.00 -3.48 3.41 4.32 -1.26 -4.66 117.00 110.92 1x1g n LEU 91 Ca -0.21 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.64 1x1g n LEU 91 Cb 0.64 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.40 1x1g n LEU 91 CO 0.73 -0.36 0.48 0.72 -1.22 0.00 0.00 177.39 177.74 1x1g s PHE 92 N 0.51 -0.55 0.31 -1.77 -0.12 -1.06 -0.96 117.98 114.34 1x1g s PHE 92 Ca 0.00 0.67 0.08 0.00 -0.05 0.00 0.00 56.93 57.63 1x1g s PHE 92 Cb 0.00 0.49 -0.06 0.00 -0.63 0.00 0.00 43.02 42.81 1x1g s PHE 92 CO 0.00 -0.67 -0.07 -1.59 -0.05 0.00 0.00 175.22 172.84 1x1g s LYS 93 N -2.38 1.67 -0.15 1.99 0.00 0.35 -0.49 119.74 120.74 1x1g s LYS 93 Ca -0.04 -1.86 -0.00 0.00 0.00 0.00 0.00 55.97 54.07 1x1g s LYS 93 Cb -0.01 -1.40 0.04 0.00 0.00 0.00 0.00 37.83 36.46 1x1g s LYS 93 CO -0.02 0.08 -0.06 0.08 0.00 0.00 0.00 175.35 175.43 1x1g s VAL 94 N -2.83 1.07 -0.44 1.79 1.01 -0.32 -0.21 120.40 120.47 1x1g s VAL 94 Ca 0.31 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1x1g s VAL 94 Cb 0.03 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.26 1x1g s VAL 94 CO 0.14 0.22 0.51 -0.63 0.00 0.00 0.00 175.10 175.33 1x1g s ILE 95 N 1.67 5.01 0.91 2.22 1.01 0.18 -0.38 121.20 131.82 1x1g s ILE 95 Ca 0.02 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1x1g s ILE 95 Cb -0.14 -4.12 0.19 0.00 0.01 0.00 0.00 42.46 38.40 1x1g s ILE 95 CO -0.08 -0.54 1.25 0.42 0.00 0.00 0.00 174.94 175.99 1x1g s THR 96 N 2.32 2.02 0.58 2.92 -4.23 -0.89 0.99 115.64 119.34 1x1g s THR 96 Ca 0.14 -0.17 0.42 0.00 -1.18 0.00 0.00 61.69 60.90 1x1g s THR 96 Cb -0.17 -2.84 0.42 0.00 1.34 0.00 0.00 72.50 71.25 1x1g s THR 96 CO 0.14 0.00 2.30 0.07 -0.54 0.00 0.00 174.62 176.58 1x1g h LYS 97 N -1.40 0.00 -0.30 3.99 2.10 -1.60 0.66 116.57 120.02 1x1g h LYS 97 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1x1g h LYS 97 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1x1g h LYS 97 CO 0.35 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.33 1x1g n ASP 98 N -2.99 1.54 -2.65 7.07 -0.08 -1.26 -4.86 116.55 113.32 1x1g n ASP 98 Ca -0.03 -2.02 -0.19 0.00 -1.51 0.00 0.00 54.79 51.05 1x1g n ASP 98 Cb 0.07 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1x1g n ASP 99 N 0.30 -5.03 -4.60 1.67 2.03 0.23 -4.93 116.55 106.22 1x1g n ASP 99 Ca 0.09 -0.04 -0.39 0.00 0.52 0.00 0.00 54.79 54.97 1x1g n ASP 99 Cb 0.25 -4.18 -0.10 0.00 -0.72 0.00 0.00 41.12 36.37 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 -2.91 5.22 -0.47 5.18 2.01 -1.25 -4.83 115.64 118.60 1x1g s THR 100 Ca 0.11 0.45 -0.24 0.00 0.31 0.00 0.00 61.69 62.31 1x1g s THR 100 Cb -0.05 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1x1g s THR 100 CO 0.13 0.19 0.86 -1.00 -0.69 0.00 0.00 174.62 174.11 1x1g s HIS 101 N 1.93 2.94 -0.52 4.92 3.76 -1.25 -2.10 115.29 124.98 1x1g s HIS 101 Ca 0.13 0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 55.08 1x1g s HIS 101 Cb -0.16 -3.84 0.09 0.00 1.11 0.00 0.00 32.58 29.79 1x1g s HIS 101 CO 0.10 -1.08 0.52 0.71 -0.85 0.00 0.00 174.74 174.14 1x1g s TYR 102 N 3.55 3.17 -0.08 1.40 2.02 0.49 -4.78 117.35 123.13 1x1g s TYR 102 Ca 0.32 -0.97 -0.30 0.00 -0.37 0.00 0.00 57.07 55.76 1x1g s TYR 102 Cb -0.11 -3.55 -0.03 0.00 -0.40 0.00 0.00 41.96 37.86 1x1g s TYR 102 CO 0.24 -0.98 1.29 0.71 -1.57 0.00 0.00 175.55 175.23 1x1g s TYR 103 N 1.98 2.94 0.03 2.71 1.51 -1.26 -1.17 117.35 124.09 1x1g s TYR 103 Ca 0.07 1.00 0.03 0.00 -1.01 0.00 0.00 57.07 57.16 1x1g s TYR 103 Cb -0.25 -3.53 -0.02 0.00 -0.11 0.00 0.00 41.96 38.05 1x1g s TYR 103 CO 0.06 -1.83 -0.10 0.42 -1.11 0.00 0.00 175.55 172.99 1x1g s ILE 104 N 2.74 0.72 0.02 2.71 1.01 0.36 -2.57 121.20 126.20 1x1g s ILE 104 Ca 0.58 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1x1g s ILE 104 Cb -0.26 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1x1g s ILE 104 CO 0.21 -0.15 0.05 -1.58 0.00 0.00 0.00 174.94 173.48 1x1g s GLN 105 N -1.15 2.91 0.17 2.79 0.74 -0.37 -2.58 119.66 122.17 1x1g s GLN 105 Ca -0.03 -0.60 0.04 0.00 0.05 0.00 0.00 55.36 54.82 1x1g s GLN 105 Cb -0.08 -2.75 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 1x1g s GLN 105 CO 0.01 0.61 0.22 0.00 -0.55 0.00 0.00 175.29 175.58 1x1g s ALA 106 N -1.22 3.78 0.15 1.58 0.00 -1.26 -2.36 121.76 122.42 1x1g s ALA 106 Ca 0.24 -1.15 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 1x1g s ALA 106 Cb -0.12 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.47 1x1g s ALA 106 CO 0.15 0.48 1.67 1.03 0.00 0.00 0.00 175.76 179.09 1x1g h SER 107 N 2.12 -0.42 -4.67 0.00 0.87 -1.89 -3.45 113.55 106.11 1x1g h SER 107 Ca -0.48 0.11 -0.48 0.00 -1.23 0.00 0.00 61.79 59.70 1x1g h SER 107 Cb 1.20 0.24 -0.11 0.00 -0.44 0.00 0.00 62.40 63.29 1x1g h SER 107 CO 0.65 -0.16 -0.43 -1.20 -0.53 0.00 0.00 176.83 175.17 1x1g n SER 108 N -5.30 0.45 0.14 6.23 7.64 -1.26 -4.99 113.62 116.52 1x1g n SER 108 Ca -0.00 -3.01 0.03 0.00 1.01 0.00 0.00 58.87 56.90 1x1g n SER 108 Cb 0.21 1.19 0.41 0.00 -1.01 0.00 0.00 64.21 65.01 1x1g n SER 108 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1x1g h LYS 109 N 0.00 0.20 0.00 1.43 3.11 -1.89 -2.33 116.57 117.09 1x1g h LYS 109 Ca -0.26 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.53 1x1g h LYS 109 Cb 1.11 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1x1g h LYS 109 CO 0.40 0.34 -0.00 0.00 -2.81 0.00 0.00 179.45 177.38 1x1g h ALA 110 N 1.68 -0.01 -1.10 5.00 0.00 -1.96 -3.26 119.26 119.61 1x1g h ALA 110 Ca 0.04 -0.43 0.34 0.00 0.00 0.00 0.00 54.91 54.86 1x1g h ALA 110 Cb 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.03 1x1g h ALA 110 CO 0.02 -0.06 0.67 1.49 0.00 0.00 0.00 179.25 181.37 1x1g h GLU 111 N -0.89 0.27 0.14 0.00 4.57 -1.89 0.23 114.58 117.01 1x1g h GLU 111 Ca -0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1x1g h GLU 111 Cb 0.85 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1x1g h GLU 111 CO 0.00 0.18 -0.08 -0.09 -1.18 0.00 0.00 179.01 177.85 1x1g h ARG 112 N 0.28 -0.19 -0.94 1.92 2.43 -1.47 1.12 114.38 117.54 1x1g h ARG 112 Ca 0.72 0.01 0.27 0.00 -0.81 0.00 0.00 59.98 60.18 1x1g h ARG 112 Cb 1.87 0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 31.32 1x1g h ARG 112 CO -0.47 -0.13 0.40 0.00 -1.51 0.00 0.00 179.97 178.27 1x1g h ALA 113 N -1.83 1.61 0.25 2.80 0.00 -1.30 1.27 119.26 122.07 1x1g h ALA 113 Ca -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1x1g h ALA 113 Cb 0.15 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x1g h ALA 113 CO 0.02 -0.50 -0.12 0.93 0.00 0.00 0.00 179.25 179.58 1x1g h GLU 114 N 0.28 -0.33 -0.33 0.00 5.08 -0.72 1.08 114.58 119.64 1x1g h GLU 114 Ca 0.64 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 59.06 1x1g h GLU 114 Cb 1.37 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1x1g h GLU 114 CO -0.63 -0.07 0.22 -1.49 -1.00 0.00 0.00 179.01 176.04 1x1g h TRP 115 N -0.55 0.27 0.00 4.33 4.06 0.46 0.46 115.95 124.98 1x1g h TRP 115 Ca -0.03 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1x1g h TRP 115 Cb 0.40 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1x1g h TRP 115 CO -0.00 0.15 0.00 -0.89 -3.56 0.00 0.00 178.44 174.14 1x1g n ILE 116 N -4.49 0.00 -0.25 1.49 5.41 0.40 -2.59 119.36 119.35 1x1g n ILE 116 Ca 0.03 0.48 0.17 0.00 1.00 0.00 0.00 62.75 64.42 1x1g n ILE 116 Cb 0.20 -1.05 0.31 0.00 -0.71 0.00 0.00 39.64 38.39 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 -1.12 -0.05 0.18 0.38 2.13 0.37 0.91 120.64 123.43 1x1g n GLU 117 Ca 0.00 1.07 -0.11 0.00 0.66 0.00 0.00 57.16 58.77 1x1g n GLU 117 Cb 0.00 -1.79 -0.06 0.00 0.27 0.00 0.00 31.44 29.86 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 1.48 -1.00 -0.62 4.31 0.00 -1.01 -1.48 119.26 120.94 1x1g h ALA 118 Ca 0.53 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.38 1x1g h ALA 118 Cb 1.25 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 19.51 1x1g h ALA 118 CO -0.64 -1.02 -0.57 0.82 0.00 0.00 0.00 179.25 177.85 1x1g h ILE 119 N -0.63 0.00 -0.94 0.00 2.04 0.80 0.41 117.51 119.19 1x1g h ILE 119 Ca -0.04 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.03 1x1g h ILE 119 Cb 0.55 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.45 1x1g h ILE 119 CO -0.05 0.00 -0.17 0.29 0.00 0.00 0.00 178.15 178.22 1x1g n LYS 120 N -5.33 -0.08 0.02 2.37 4.01 -0.58 0.48 118.16 119.05 1x1g n LYS 120 Ca -0.01 1.46 -0.14 0.00 -0.51 0.00 0.00 58.31 59.10 1x1g n LYS 120 Cb 0.31 -2.21 -0.09 0.00 -0.51 0.00 0.00 35.03 32.53 1x1g n LYS 120 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1x1g h LYS 121 N 0.00 -0.56 -0.15 1.97 1.57 0.89 -2.07 116.57 118.22 1x1g h LYS 121 Ca 0.48 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.35 1x1g h LYS 121 Cb 0.82 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.18 1x1g h LYS 121 CO -0.95 -0.37 -0.40 -0.07 -0.57 0.00 0.00 179.45 177.08 1x1g h LEU 122 N -0.58 -1.26 -8.03 2.94 -0.00 0.52 -2.89 115.31 106.01 1x1g h LEU 122 Ca 0.02 0.17 -0.45 0.00 -0.00 0.00 0.00 57.88 57.62 1x1g h LEU 122 Cb 0.65 0.52 -0.06 0.00 -0.00 0.00 0.00 40.66 41.77 1x1g h LEU 122 CO -0.36 -0.41 1.33 0.42 -0.00 0.00 0.00 178.44 179.42 1x1g s THR 123 N -5.91 3.72 -0.00 0.22 -4.23 0.35 -4.31 115.64 105.49 1x1g s THR 123 Ca -0.15 -1.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1x1g s THR 123 Cb 0.10 -4.67 0.00 0.00 1.34 0.00 0.00 72.50 69.27 1x1g s THR 123 CO 0.65 -1.39 0.00 -0.24 -0.54 0.00 0.00 174.62 173.09 1x1g n SER 124 N 11.90 -1.99 0.00 3.99 2.88 -1.22 -4.75 113.62 124.42 1x1g n SER 124 Ca 0.43 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1x1g n SER 124 Cb 0.47 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1x1g n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 125 N 0.02 -1.80 3.60 0.46 0.00 -1.09 -4.48 105.19 101.90 1x1g n GLY 125 Ca -0.00 0.75 -0.43 0.00 0.00 0.00 0.00 46.02 46.34 1x1g n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1g s PRO 126 N 0.00 3.53 -0.22 1.61 0.04 -1.26 -4.28 135.00 134.41 1x1g s PRO 126 Ca 0.00 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 1x1g s PRO 126 Cb 0.00 -4.04 0.02 0.00 0.04 0.00 0.00 34.50 30.51 1x1g s PRO 126 CO 0.00 -1.63 0.09 0.43 0.04 0.00 0.00 177.00 175.93 1x1g n SER 127 N 8.97 -5.29 0.11 6.66 7.64 -1.26 -4.99 113.62 125.46 1x1g n SER 127 Ca 0.16 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.33 1x1g n SER 127 Cb 0.48 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 58.94 1x1g n SER 127 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x1g n SER 128 N 1.22 -1.84 -0.64 6.43 3.41 -1.26 -5.28 113.62 115.66 1x1g n SER 128 Ca -0.15 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.02 1x1g n SER 128 Cb 0.27 1.94 0.38 0.00 -0.26 0.00 0.00 64.21 66.55 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49