#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 -0.85 0.05 1.61 1.04 -1.26 -5.17 113.70 109.12 1x1g s SER 2 Ca 0.00 1.47 -0.28 0.00 0.48 0.00 0.00 55.95 57.62 1x1g s SER 2 Cb 0.00 1.41 0.10 0.00 0.10 0.00 0.00 66.02 67.62 1x1g s SER 2 CO 0.00 -0.24 1.17 -0.94 0.98 0.00 0.00 173.24 174.20 1x1g s SER 3 N 1.10 -0.09 0.87 7.02 1.04 -1.26 -5.18 113.70 117.20 1x1g s SER 3 Ca -0.06 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 1x1g s SER 3 Cb -0.05 0.29 0.15 0.00 0.10 0.00 0.00 66.02 66.51 1x1g s SER 3 CO -0.11 -0.54 0.92 0.61 0.98 0.00 0.00 173.24 175.10 1x1g n GLY 4 N -0.51 -0.63 2.57 7.32 0.00 -1.26 -5.08 105.19 107.60 1x1g n GLY 4 Ca -0.07 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 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 -4.47 0.53 0.34 1.61 0.15 -1.26 -5.13 113.70 105.47 1x1g s SER 5 Ca 0.55 -2.40 -0.27 0.00 0.70 0.00 0.00 55.95 54.53 1x1g s SER 5 Cb -0.02 0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1x1g s SER 5 CO 0.38 -0.15 1.16 -0.55 1.20 0.00 0.00 173.24 175.27 1x1g s SER 6 N 0.56 6.87 0.00 5.45 0.15 -1.26 -5.03 113.70 120.44 1x1g s SER 6 Ca 0.29 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1x1g s SER 6 Cb -0.01 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x1g s SER 6 CO -0.12 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1x1g n GLY 7 N 0.84 -0.57 3.12 9.45 0.00 -1.26 -5.02 105.19 111.75 1x1g n GLY 7 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1x1g n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x1g s SER 8 N -1.51 -1.40 0.32 1.61 1.04 -1.26 -5.16 113.70 107.36 1x1g s SER 8 Ca 0.00 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 55.53 1x1g s SER 8 Cb 0.00 1.89 -0.02 0.00 0.10 0.00 0.00 66.02 67.99 1x1g s SER 8 CO 0.00 -0.16 0.35 -0.76 0.98 0.00 0.00 173.24 173.65 1x1g s LEU 9 N 1.67 3.79 -0.29 2.42 1.43 -1.26 -5.08 118.68 121.36 1x1g s LEU 9 Ca 0.18 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.71 1x1g s LEU 9 Cb -0.04 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 1x1g s LEU 9 CO -0.07 -0.34 0.76 -0.44 0.23 0.00 0.00 176.35 176.50 1x1g s SER 10 N -4.04 6.66 1.03 2.29 0.01 -1.26 -5.03 113.70 113.37 1x1g s SER 10 Ca 0.41 0.70 -0.20 0.00 1.31 0.00 0.00 55.95 58.17 1x1g s SER 10 Cb -0.07 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1x1g s SER 10 CO 0.28 -0.56 -0.55 0.41 0.41 0.00 0.00 173.24 173.23 1x1g n THR 11 N 5.45 0.00 0.02 1.44 -1.04 -1.26 -4.96 114.28 113.93 1x1g n THR 11 Ca 0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1x1g n THR 11 Cb 0.48 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 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 -3.67 0.00 -0.14 12.58 3.14 -1.26 -4.75 118.33 124.23 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 0.64 -0.03 0.02 0.00 -1.06 0.00 0.00 33.84 33.42 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 0.49 -0.00 1.45 5.08 -1.96 0.12 114.58 119.75 1x1g h GLU 13 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1x1g h GLU 13 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1x1g h GLU 13 CO 0.00 0.32 -0.00 1.28 -1.00 0.00 0.00 179.01 179.61 1x1g n LEU 14 N -4.86 0.09 -3.15 1.33 7.99 -1.26 -4.01 117.00 113.14 1x1g n LEU 14 Ca 0.02 -0.01 -0.36 0.00 -0.01 0.00 0.00 56.01 55.65 1x1g n LEU 14 Cb 0.08 -0.02 -0.01 0.00 -0.11 0.00 0.00 43.42 43.36 1x1g n LEU 14 CO 0.32 0.01 1.89 -0.24 -1.51 0.00 0.00 177.39 177.86 1x1g n SER 15 N -0.95 7.40 -4.20 -1.43 2.88 0.41 -4.91 113.62 112.82 1x1g n SER 15 Ca 0.23 -3.34 -0.12 0.00 -1.33 0.00 0.00 58.87 54.31 1x1g n SER 15 Cb 0.13 -1.26 -0.10 0.00 -0.75 0.00 0.00 64.21 62.24 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 -0.10 1.00 0.45 0.46 0.00 -1.26 -3.91 107.32 103.97 1x1g s GLY 16 Ca 0.53 -1.48 -0.23 0.00 0.00 0.00 0.00 44.72 43.54 1x1g s GLY 16 CO -0.18 -1.48 1.17 -1.59 0.00 0.00 0.00 173.10 171.02 1x1g s THR 17 N -3.68 3.10 -0.10 0.90 2.01 0.26 -4.49 115.64 113.64 1x1g s THR 17 Ca 0.19 0.84 -0.27 0.00 0.31 0.00 0.00 61.69 62.75 1x1g s THR 17 Cb 0.06 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 1x1g s THR 17 CO -0.00 -0.00 0.89 -0.69 -0.69 0.00 0.00 174.62 174.13 1x1g s VAL 18 N -1.53 4.88 -0.12 3.82 1.01 -1.26 0.21 120.40 127.41 1x1g s VAL 18 Ca 0.63 1.81 0.05 0.00 0.00 0.00 0.00 61.98 64.47 1x1g s VAL 18 Cb -0.29 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.77 1x1g s VAL 18 CO 0.35 0.09 -0.04 1.33 0.00 0.00 0.00 175.10 176.83 1x1g n VAL 19 N 4.34 0.74 -3.72 2.92 0.24 0.73 -4.91 118.33 118.66 1x1g n VAL 19 Ca 0.05 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.34 61.85 1x1g n VAL 19 Cb 0.50 -0.85 -0.09 0.00 -1.47 0.00 0.00 33.84 31.92 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 -2.26 0.56 -0.02 7.34 2.47 -1.15 -5.02 119.74 121.66 1x1g s LYS 20 Ca -0.12 0.45 -0.07 0.00 -1.56 0.00 0.00 55.97 54.68 1x1g s LYS 20 Cb 0.04 0.27 0.01 0.00 -1.46 0.00 0.00 37.83 36.68 1x1g s LYS 20 CO 0.37 -0.09 0.15 -0.65 0.16 0.00 0.00 175.35 175.29 1x1g s GLN 21 N -0.10 0.38 0.00 4.03 -0.21 -1.26 0.13 119.66 122.63 1x1g s GLN 21 Ca -0.03 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1x1g s GLN 21 Cb -0.03 0.16 0.00 0.00 1.00 0.00 0.00 33.01 34.14 1x1g s GLN 21 CO 0.02 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 1x1g n GLY 22 N 2.04 -0.88 3.21 3.09 0.00 -0.84 -5.03 105.19 106.80 1x1g n GLY 22 Ca -0.19 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.00 2.78 0.36 1.61 1.51 -1.26 -0.32 117.35 119.04 1x1g s TYR 23 Ca 0.00 -1.25 0.08 0.00 -1.01 0.00 0.00 57.07 54.90 1x1g s TYR 23 Cb 0.00 -1.91 -0.06 0.00 -0.11 0.00 0.00 41.96 39.88 1x1g s TYR 23 CO 0.00 -0.60 0.04 -0.51 -1.11 0.00 0.00 175.55 173.37 1x1g s LEU 24 N 1.02 2.99 -0.16 -1.29 1.43 0.36 -4.25 118.68 118.79 1x1g s LEU 24 Ca -0.01 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1x1g s LEU 24 Cb -0.15 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1x1g s LEU 24 CO -0.04 -0.32 -0.15 0.00 0.23 0.00 0.00 176.35 176.07 1x1g s ALA 25 N -2.56 2.49 -0.01 4.21 0.00 -1.21 0.19 121.76 124.87 1x1g s ALA 25 Ca 0.36 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 1x1g s ALA 25 Cb 0.02 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1x1g s ALA 25 CO 0.20 -0.12 0.20 0.21 0.00 0.00 0.00 175.76 176.25 1x1g s LYS 26 N 0.95 3.47 -1.15 0.00 2.20 -0.39 0.81 119.74 125.62 1x1g s LYS 26 Ca -0.03 -0.26 -0.09 0.00 -0.36 0.00 0.00 55.97 55.23 1x1g s LYS 26 Cb -0.15 -3.10 0.25 0.00 -1.51 0.00 0.00 37.83 33.32 1x1g s LYS 26 CO -0.02 0.67 1.34 0.94 -0.36 0.00 0.00 175.35 177.92 1x1g n GLN 27 N 1.04 3.67 0.00 4.03 7.27 -1.02 -2.30 117.38 130.07 1x1g n GLN 27 Ca -0.11 -4.23 0.00 0.00 0.07 0.00 0.00 57.00 52.73 1x1g n GLN 27 Cb 0.53 -2.71 0.00 0.00 2.41 0.00 0.00 30.24 30.47 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 2.82 0.14 3.79 1.69 0.00 -1.26 -4.90 105.19 107.46 1x1g n GLY 28 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 1x1g n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x1g s HIS 29 N 1.09 2.61 0.00 1.61 3.76 -1.26 -5.01 115.29 118.08 1x1g s HIS 29 Ca 0.00 0.99 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 1x1g s HIS 29 Cb 0.00 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.42 1x1g s HIS 29 CO 0.00 -2.16 0.48 1.63 -0.85 0.00 0.00 174.74 173.83 1x1g n LYS 30 N -3.66 0.00 -3.56 1.40 4.76 -1.26 -4.73 118.16 111.11 1x1g n LYS 30 Ca 0.07 0.08 -0.37 0.00 -2.87 0.00 0.00 58.31 55.22 1x1g n LYS 30 Cb 0.58 -0.98 0.03 0.00 -1.84 0.00 0.00 35.03 32.83 1x1g n LYS 30 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1x1g n ARG 31 N -0.56 -1.87 0.00 1.97 3.00 -1.26 -2.18 116.66 115.75 1x1g n ARG 31 Ca 0.00 1.32 0.00 0.00 -0.01 0.00 0.00 57.85 59.16 1x1g n ARG 31 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 32.46 30.37 1x1g n ARG 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x1g n LYS 32 N -0.58 0.00 0.00 5.56 4.81 -1.26 -3.79 118.16 122.89 1x1g n LYS 32 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1x1g n LYS 32 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 1x1g n LYS 32 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1x1g n ASN 33 N 1.65 0.00 -3.92 3.14 3.02 -0.93 -5.16 115.26 113.06 1x1g n ASN 33 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 1x1g n ASN 33 Cb 0.00 0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1x1g n ASN 33 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1x1g n TRP 34 N -1.30 -0.47 -3.70 3.10 7.02 -1.25 -4.65 117.44 116.19 1x1g n TRP 34 Ca 0.00 -1.63 -0.23 0.00 -1.02 0.00 0.00 57.50 54.62 1x1g n TRP 34 Cb 0.00 -0.29 -0.18 0.00 -2.42 0.00 0.00 31.31 28.43 1x1g n TRP 34 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1x1g s LYS 35 N -3.48 0.27 0.28 -0.99 1.02 -0.97 -4.87 119.74 111.00 1x1g s LYS 35 Ca 0.16 0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.98 1x1g s LYS 35 Cb -0.01 -1.06 -0.10 0.00 -0.52 0.00 0.00 37.83 36.14 1x1g s LYS 35 CO 0.10 -0.41 1.16 0.08 -0.92 0.00 0.00 175.35 175.36 1x1g s VAL 36 N 2.06 3.32 0.11 3.17 1.01 -1.26 -1.26 120.40 127.54 1x1g s VAL 36 Ca 0.04 1.30 -0.13 0.00 0.00 0.00 0.00 61.98 63.20 1x1g s VAL 36 Cb -0.13 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1x1g s VAL 36 CO -0.05 0.30 0.31 -0.13 0.00 0.00 0.00 175.10 175.53 1x1g s ARG 37 N -1.42 0.97 -0.51 2.72 0.52 0.50 -4.71 118.95 117.03 1x1g s ARG 37 Ca 0.46 -0.82 -0.22 0.00 -0.52 0.00 0.00 55.73 54.63 1x1g s ARG 37 Cb -0.34 0.41 0.04 0.00 0.52 0.00 0.00 34.95 35.59 1x1g s ARG 37 CO 0.43 -0.35 0.79 0.50 0.02 0.00 0.00 175.30 176.70 1x1g s ARG 38 N -3.83 3.28 -0.16 3.54 3.52 0.24 0.14 118.95 125.69 1x1g s ARG 38 Ca 0.04 -0.41 -0.08 0.00 -0.13 0.00 0.00 55.73 55.15 1x1g s ARG 38 Cb 0.03 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 1x1g s ARG 38 CO -0.11 -1.29 0.11 -0.06 -0.81 0.00 0.00 175.30 173.14 1x1g s PHE 39 N 3.34 3.43 -0.01 5.12 0.40 0.57 0.17 117.98 131.00 1x1g s PHE 39 Ca 0.25 0.35 0.07 0.00 -0.60 0.00 0.00 56.93 57.01 1x1g s PHE 39 Cb -0.14 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 1x1g s PHE 39 CO 0.18 0.45 -0.24 0.54 0.70 0.00 0.00 175.22 176.85 1x1g s VAL 40 N -0.27 2.27 -0.28 -0.44 0.11 0.56 -1.98 120.40 120.38 1x1g s VAL 40 Ca 0.10 -1.08 -0.04 0.00 -2.93 0.00 0.00 61.98 58.03 1x1g s VAL 40 Cb -0.12 -1.82 0.03 0.00 -1.53 0.00 0.00 36.38 32.94 1x1g s VAL 40 CO 0.01 0.55 0.01 -0.22 -3.33 0.00 0.00 175.10 172.12 1x1g s LEU 41 N -0.74 3.63 0.05 2.54 0.20 0.35 -1.61 118.68 123.10 1x1g s LEU 41 Ca 0.11 -0.92 0.07 0.00 0.69 0.00 0.00 54.13 54.08 1x1g s LEU 41 Cb -0.10 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1x1g s LEU 41 CO -0.00 -0.19 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.56 1x1g s ARG 42 N 1.37 2.07 0.22 1.98 0.52 -0.28 -0.19 118.95 124.64 1x1g s ARG 42 Ca -0.00 -0.98 0.10 0.00 -0.52 0.00 0.00 55.73 54.32 1x1g s ARG 42 Cb -0.18 -2.20 -0.05 0.00 0.52 0.00 0.00 34.95 33.05 1x1g s ARG 42 CO -0.01 0.54 -0.18 -1.59 0.02 0.00 0.00 175.30 174.08 1x1g s LYS 43 N -1.49 1.45 -0.42 3.54 0.00 0.56 -1.02 119.74 122.35 1x1g s LYS 43 Ca 0.15 -1.60 -0.37 0.00 0.00 0.00 0.00 55.97 54.15 1x1g s LYS 43 Cb -0.11 -1.45 0.06 0.00 0.00 0.00 0.00 37.83 36.33 1x1g s LYS 43 CO 0.06 0.27 0.63 -3.47 0.00 0.00 0.00 175.35 172.84 1x1g n ASP 44 N -0.23 -5.09 -4.80 0.03 2.03 -1.26 0.89 116.55 108.11 1x1g n ASP 44 Ca -0.09 -0.17 -0.30 0.00 0.52 0.00 0.00 54.79 54.76 1x1g n ASP 44 Cb 0.59 -1.49 0.10 0.00 -0.72 0.00 0.00 41.12 39.60 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 -2.31 1.96 -0.67 -0.67 0.04 -1.25 -3.69 135.00 128.40 1x1g s PRO 45 Ca 0.36 0.59 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 1x1g s PRO 45 Cb -0.04 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.66 1x1g s PRO 45 CO 0.82 -1.70 1.03 0.00 0.04 0.00 0.00 177.00 177.19 1x1g s ALA 46 N -3.17 3.04 0.14 8.56 0.00 -1.26 -4.68 121.76 124.39 1x1g s ALA 46 Ca 0.61 -1.71 -0.08 0.00 0.00 0.00 0.00 51.96 50.78 1x1g s ALA 46 Cb -0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 23.12 19.03 1x1g s ALA 46 CO 0.54 -2.86 0.24 -0.06 0.00 0.00 0.00 175.76 173.62 1x1g s PHE 47 N 4.40 0.37 -0.13 0.00 0.40 -0.19 -3.52 117.98 119.30 1x1g s PHE 47 Ca 0.25 -0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 55.79 1x1g s PHE 47 Cb -0.15 -0.09 0.06 0.00 0.51 0.00 0.00 43.02 43.35 1x1g s PHE 47 CO 0.12 -0.66 0.11 -1.17 0.70 0.00 0.00 175.22 174.32 1x1g s LEU 48 N -2.94 0.18 0.30 -0.37 2.96 -1.20 -1.13 118.68 116.48 1x1g s LEU 48 Ca 0.14 -0.27 0.11 0.00 -0.22 0.00 0.00 54.13 53.89 1x1g s LEU 48 Cb 0.04 -0.07 -0.05 0.00 0.50 0.00 0.00 46.19 46.60 1x1g s LEU 48 CO -0.03 -0.31 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.53 1x1g s HIS 49 N 2.19 2.33 -0.00 5.38 3.76 -0.63 -2.25 115.29 126.07 1x1g s HIS 49 Ca 0.04 -0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 54.46 1x1g s HIS 49 Cb -0.14 -1.12 0.01 0.00 1.11 0.00 0.00 32.58 32.43 1x1g s HIS 49 CO -0.08 0.67 0.20 1.52 -0.85 0.00 0.00 174.74 176.21 1x1g s TYR 50 N -2.54 -0.04 0.02 1.40 1.13 -1.26 0.21 117.35 116.27 1x1g s TYR 50 Ca 0.31 0.01 0.07 0.00 -1.41 0.00 0.00 57.07 56.05 1x1g s TYR 50 Cb -0.03 0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.82 1x1g s TYR 50 CO 0.16 -0.33 -0.20 0.71 -2.51 0.00 0.00 175.55 173.37 1x1g s TYR 51 N -1.39 1.80 0.16 -3.49 1.51 0.45 0.83 117.35 117.23 1x1g s TYR 51 Ca -0.14 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.26 1x1g s TYR 51 Cb -0.07 -1.10 -0.07 0.00 -0.11 0.00 0.00 41.96 40.61 1x1g s TYR 51 CO 0.03 0.05 1.07 0.34 -1.11 0.00 0.00 175.55 175.92 1x1g s ASP 52 N -0.92 7.32 0.26 2.29 2.15 -1.26 -0.59 116.67 125.92 1x1g s ASP 52 Ca 0.07 2.03 0.25 0.00 0.43 0.00 0.00 52.55 55.33 1x1g s ASP 52 Cb -0.08 -2.60 0.90 0.00 -0.30 0.00 0.00 42.92 40.83 1x1g s ASP 52 CO 0.01 -0.19 1.75 1.55 -0.17 0.00 0.00 175.17 178.12 1x1g h PRO 53 N 5.22 0.00 0.00 4.34 0.13 -1.95 -2.65 132.00 137.10 1x1g h PRO 53 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x1g h PRO 53 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1x1g h PRO 53 CO 0.72 0.00 -0.81 1.03 -0.23 0.00 0.00 178.00 178.72 1x1g h SER 54 N 0.00 0.00 -2.43 1.44 0.87 -1.93 -3.46 113.55 108.04 1x1g h SER 54 Ca 0.00 -0.13 -0.44 0.00 -1.23 0.00 0.00 61.79 59.99 1x1g h SER 54 Cb 0.57 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.58 1x1g h SER 54 CO 0.00 0.06 -0.03 -1.59 -0.53 0.00 0.00 176.83 174.74 1x1g s LYS 55 N -3.26 2.47 -0.41 2.24 0.00 -1.00 -5.08 119.74 114.70 1x1g s LYS 55 Ca 0.03 -0.84 0.04 0.00 0.00 0.00 0.00 55.97 55.20 1x1g s LYS 55 Cb 0.11 -2.48 0.17 0.00 0.00 0.00 0.00 37.83 35.63 1x1g s LYS 55 CO 0.76 -0.77 0.35 -1.21 0.00 0.00 0.00 175.35 174.48 1x1g s GLU 56 N -4.79 0.87 -0.02 1.78 2.02 -1.26 -4.89 118.70 112.41 1x1g s GLU 56 Ca 0.58 -1.93 -0.22 0.00 0.02 0.00 0.00 54.97 53.42 1x1g s GLU 56 Cb -0.10 -1.29 0.04 0.00 0.10 0.00 0.00 34.13 32.88 1x1g s GLU 56 CO 0.39 -1.36 0.47 -2.00 0.02 0.00 0.00 175.26 172.78 1x1g s GLU 57 N 0.25 0.86 0.14 1.61 2.56 -1.26 -5.01 118.70 117.85 1x1g s GLU 57 Ca 0.31 -0.02 0.23 0.00 0.00 0.00 0.00 54.97 55.49 1x1g s GLU 57 Cb 0.00 0.39 0.90 0.00 2.00 0.00 0.00 34.13 37.43 1x1g s GLU 57 CO -0.16 -0.26 1.72 -1.71 -0.56 0.00 0.00 175.26 174.28 1x1g n ASN 58 N 1.05 0.45 -4.85 -1.70 2.85 -1.26 -4.74 115.26 107.05 1x1g n ASN 58 Ca -0.20 0.58 -0.35 0.00 -0.11 0.00 0.00 54.58 54.50 1x1g n ASN 58 Cb 0.57 -0.68 -0.06 0.00 1.24 0.00 0.00 39.78 40.85 1x1g n ASN 58 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1x1g s ARG 59 N -3.14 3.96 0.80 1.20 0.52 -1.26 -5.08 118.95 115.96 1x1g s ARG 59 Ca 0.08 0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 55.65 1x1g s ARG 59 Cb 0.12 -2.86 0.07 0.00 0.52 0.00 0.00 34.95 32.80 1x1g s ARG 59 CO 0.44 0.43 1.10 -1.25 0.02 0.00 0.00 175.30 176.05 1x1g s PRO 60 N -2.15 2.08 0.44 3.54 0.04 -1.26 -4.89 135.00 132.80 1x1g s PRO 60 Ca 0.40 0.63 0.15 0.00 0.04 0.00 0.00 61.00 62.22 1x1g s PRO 60 Cb -0.14 -1.92 0.99 0.00 0.04 0.00 0.00 34.50 33.47 1x1g s PRO 60 CO 0.20 -1.62 1.98 0.28 0.04 0.00 0.00 177.00 177.87 1x1g h VAL 61 N -1.09 1.12 0.00 -0.36 2.07 0.08 -3.45 116.25 114.62 1x1g h VAL 61 Ca -0.47 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1x1g h VAL 61 Cb 1.27 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1x1g h VAL 61 CO 0.59 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.99 1x1g n GLY 62 N -0.95 -0.17 3.39 2.17 0.00 -1.26 -5.08 105.19 103.29 1x1g n GLY 62 Ca -0.02 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1x1g n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x1g s GLY 63 N 0.00 1.47 0.10 -0.02 0.00 -1.26 -4.91 107.32 102.70 1x1g s GLY 63 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.84 1x1g s GLY 63 CO 0.00 0.08 -0.08 -0.11 0.00 0.00 0.00 173.10 172.98 1x1g s PHE 64 N -2.52 1.00 0.31 1.90 -0.71 -0.95 -4.98 117.98 112.02 1x1g s PHE 64 Ca 0.70 -0.77 -0.28 0.00 -1.04 0.00 0.00 56.93 55.54 1x1g s PHE 64 Cb -0.11 -0.55 -0.09 0.00 -1.21 0.00 0.00 43.02 41.05 1x1g s PHE 64 CO 0.57 -0.05 1.06 -1.54 -1.34 0.00 0.00 175.22 173.92 1x1g s SER 65 N -2.77 7.18 -0.16 1.98 1.04 -1.26 -3.23 113.70 116.47 1x1g s SER 65 Ca 0.09 2.14 0.09 0.00 0.48 0.00 0.00 55.95 58.75 1x1g s SER 65 Cb 0.01 -2.61 -0.23 0.00 0.10 0.00 0.00 66.02 63.29 1x1g s SER 65 CO -0.02 -0.20 0.22 0.18 0.98 0.00 0.00 173.24 174.40 1x1g n LEU 66 N 0.84 1.35 -4.52 2.42 4.77 -1.23 -4.71 117.00 115.92 1x1g n LEU 66 Ca 0.01 0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.72 1x1g n LEU 66 Cb 0.47 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1x1g n LEU 66 CO 0.50 0.63 2.14 0.54 -1.33 0.00 0.00 177.39 179.88 1x1g n ARG 67 N -3.07 0.43 -0.44 3.23 5.12 -1.25 0.20 116.66 120.88 1x1g n ARG 67 Ca -0.31 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.60 1x1g n ARG 67 Cb 1.07 -2.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 6.29 1.36 1.82 -0.13 0.00 -1.26 -4.88 105.19 108.40 1x1g n GLY 68 Ca 0.54 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.51 1.99 -3.60 1.61 7.64 0.54 -2.19 113.62 120.11 1x1g n SER 69 Ca 0.00 -1.94 -0.12 0.00 1.01 0.00 0.00 58.87 57.81 1x1g n SER 69 Cb 0.09 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.15 0.01 -3.43 1.98 0.47 -4.71 118.68 113.14 1x1g s LEU 70 Ca 0.12 -0.02 -0.01 0.00 -2.89 0.00 0.00 54.13 51.33 1x1g s LEU 70 Cb -0.01 1.98 -0.01 0.00 0.66 0.00 0.00 46.19 48.81 1x1g s LEU 70 CO 0.08 -0.76 0.01 0.54 -1.89 0.00 0.00 176.35 174.33 1x1g s VAL 71 N -2.93 0.06 0.24 1.68 0.11 -1.26 0.12 120.40 118.43 1x1g s VAL 71 Ca -0.03 -0.52 -0.17 0.00 -2.93 0.00 0.00 61.98 58.34 1x1g s VAL 71 Cb -0.00 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 1x1g s VAL 71 CO -0.06 -0.29 0.57 -0.94 -3.33 0.00 0.00 175.10 171.05 1x1g s SER 72 N -0.86 -0.20 0.43 3.54 1.04 0.49 -4.93 113.70 113.21 1x1g s SER 72 Ca -0.09 -0.69 0.06 0.00 0.48 0.00 0.00 55.95 55.70 1x1g s SER 72 Cb -0.06 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.70 1x1g s SER 72 CO -0.00 -1.18 0.60 0.00 0.98 0.00 0.00 173.24 173.64 1x1g s ALA 73 N -3.94 4.26 -0.06 5.32 0.00 -1.26 0.15 121.76 126.23 1x1g s ALA 73 Ca 0.15 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.65 1x1g s ALA 73 Cb -0.02 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1x1g s ALA 73 CO 0.05 -0.34 -0.16 -0.51 0.00 0.00 0.00 175.76 174.80 1x1g s LEU 74 N -4.42 2.61 0.00 0.00 1.43 -1.03 -4.67 118.68 112.60 1x1g s LEU 74 Ca 0.53 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1x1g s LEU 74 Cb -0.10 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.59 1x1g s LEU 74 CO 0.34 0.30 0.00 -1.84 0.23 0.00 0.00 176.35 175.39 1x1g n GLU 75 N 2.59 0.00 -3.10 1.70 0.28 -1.26 -4.65 120.64 116.20 1x1g n GLU 75 Ca -0.17 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.38 1x1g n GLU 75 Cb 0.52 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.39 1x1g n GLU 75 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1x1g s ASP 76 N 0.00 7.10 -0.19 -1.84 -1.08 -1.24 -4.74 116.67 114.68 1x1g s ASP 76 Ca 0.00 -3.10 -0.17 0.00 -0.52 0.00 0.00 52.55 48.77 1x1g s ASP 76 Cb 0.00 -2.32 0.03 0.00 -1.46 0.00 0.00 42.92 39.16 1x1g s ASP 76 CO 0.00 -0.61 0.28 0.59 0.52 0.00 0.00 175.17 175.95 1x1g n ASN 77 N 4.63 -6.12 -2.38 -0.34 4.13 -1.26 -4.38 115.26 109.54 1x1g n ASN 77 Ca 0.30 0.17 -0.01 0.00 1.68 0.00 0.00 54.58 56.72 1x1g n ASN 77 Cb 0.42 -1.63 -0.01 0.00 -1.54 0.00 0.00 39.78 37.03 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x1g n GLY 78 N 0.66 -5.31 1.65 7.41 0.00 -1.26 -4.90 105.19 103.44 1x1g n GLY 78 Ca -0.04 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1x1g n GLY 78 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x1g n VAL 79 N 1.86 -4.37 -0.14 1.61 0.24 -1.26 -4.98 118.33 111.28 1x1g n VAL 79 Ca -0.06 2.06 0.00 0.00 -2.04 0.00 0.00 64.34 64.30 1x1g n VAL 79 Cb 0.09 -3.04 0.00 0.00 -1.47 0.00 0.00 33.84 29.42 1x1g n VAL 79 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1x1g n PRO 80 N -1.71 0.71 0.00 7.34 -0.04 -1.26 -3.67 135.00 136.38 1x1g n PRO 80 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1x1g n PRO 80 Cb 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.69 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 -0.63 0.00 -1.56 0.52 -1.04 -1.26 -4.60 114.28 105.71 1x1g n THR 81 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1x1g n THR 81 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 1.04 -0.03 2.60 3.41 0.00 -1.26 -4.79 105.19 106.16 1x1g n GLY 82 Ca 0.00 0.45 -0.20 0.00 0.00 0.00 0.00 46.02 46.26 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 13.77 -0.13 0.45 1.61 1.01 -1.26 -5.12 120.40 130.72 1x1g s VAL 83 Ca 0.95 -1.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 1x1g s VAL 83 Cb -0.16 -0.83 -0.13 0.00 0.00 0.00 0.00 36.38 35.26 1x1g s VAL 83 CO 0.16 -0.78 -0.12 2.29 0.00 0.00 0.00 175.10 176.64 1x1g n LYS 84 N 3.63 0.00 -4.14 2.72 0.00 -1.26 -0.27 118.16 118.83 1x1g n LYS 84 Ca 0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.16 1x1g n LYS 84 Cb 0.46 -0.87 -0.08 0.00 -0.00 0.00 0.00 35.03 34.54 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 2.19 -0.23 6.56 2.58 0.00 -1.26 -4.52 105.19 110.51 1x1g n GLY 85 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.27 0.00 -4.26 1.61 0.23 0.63 -4.82 115.26 106.38 1x1g n ASN 86 Ca -0.08 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.82 1x1g n ASN 86 Cb 0.50 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.10 1x1g n ASN 86 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1x1g s VAL 87 N 0.00 0.85 0.00 3.53 0.11 -1.26 -4.91 120.40 118.71 1x1g s VAL 87 Ca 0.00 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.05 1x1g s VAL 87 Cb 0.00 -2.11 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 1x1g s VAL 87 CO 0.00 -0.50 0.00 0.00 -3.33 0.00 0.00 175.10 171.27 1x1g n GLN 88 N -0.27 0.00 0.00 1.54 1.13 -1.26 -4.87 117.38 113.65 1x1g n GLN 88 Ca -0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 1x1g n GLN 88 Cb 0.63 -0.18 0.00 0.00 0.11 0.00 0.00 30.24 30.80 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 0.00 0.48 0.13 1.08 0.00 -1.26 -5.03 105.19 100.60 1x1g n GLY 89 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 1.95 -0.88 1.61 4.13 -1.26 -4.95 115.26 115.86 1x1g n ASN 90 Ca 0.00 0.30 0.05 0.00 1.68 0.00 0.00 54.58 56.61 1x1g n ASN 90 Cb 0.00 -0.80 -0.01 0.00 -1.54 0.00 0.00 39.78 37.43 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 -4.15 0.00 -3.88 3.41 4.32 -1.26 -3.55 117.00 111.89 1x1g n LEU 91 Ca -0.51 0.39 -0.09 0.00 -0.02 0.00 0.00 56.01 55.78 1x1g n LEU 91 Cb 0.88 -1.12 -0.06 0.00 -1.62 0.00 0.00 43.42 41.49 1x1g n LEU 91 CO 0.08 -1.49 0.05 0.72 -1.22 0.00 0.00 177.39 175.54 1x1g s PHE 92 N -0.62 0.22 0.33 -1.77 -0.71 -0.06 -2.47 117.98 112.90 1x1g s PHE 92 Ca 0.00 -0.58 0.09 0.00 -1.04 0.00 0.00 56.93 55.40 1x1g s PHE 92 Cb 0.00 0.07 -0.06 0.00 -1.21 0.00 0.00 43.02 41.81 1x1g s PHE 92 CO 0.00 -0.75 -0.09 -1.59 -1.34 0.00 0.00 175.22 171.45 1x1g s LYS 93 N -3.92 1.77 -0.15 1.99 0.00 0.41 0.68 119.74 120.50 1x1g s LYS 93 Ca 0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 55.97 54.16 1x1g s LYS 93 Cb 0.02 -1.61 0.05 0.00 0.00 0.00 0.00 37.83 36.30 1x1g s LYS 93 CO -0.03 0.12 0.04 0.08 0.00 0.00 0.00 175.35 175.57 1x1g s VAL 94 N -2.68 0.31 -0.53 1.79 1.01 -0.32 -0.38 120.40 119.59 1x1g s VAL 94 Ca 0.32 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 1x1g s VAL 94 Cb 0.03 -0.76 0.09 0.00 0.00 0.00 0.00 36.38 35.74 1x1g s VAL 94 CO 0.16 -0.10 0.58 -0.63 0.00 0.00 0.00 175.10 175.10 1x1g s ILE 95 N 1.97 5.00 0.83 2.22 1.01 0.33 -0.81 121.20 131.75 1x1g s ILE 95 Ca 0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 1x1g s ILE 95 Cb -0.15 -4.33 0.19 0.00 0.01 0.00 0.00 42.46 38.17 1x1g s ILE 95 CO -0.07 -0.88 1.13 0.35 0.00 0.00 0.00 174.94 175.47 1x1g n THR 96 N 5.43 0.00 0.29 2.92 -2.24 -0.99 0.18 114.28 119.87 1x1g n THR 96 Ca -0.10 -0.97 0.07 0.00 -2.27 0.00 0.00 64.05 60.78 1x1g n THR 96 Cb 0.43 -1.45 0.30 0.00 -2.10 0.00 0.00 70.33 67.50 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 -3.35 0.06 -0.46 -0.78 2.85 -0.93 -0.78 118.16 114.77 1x1g n LYS 97 Ca 0.15 0.41 0.05 0.00 -1.05 0.00 0.00 58.31 57.87 1x1g n LYS 97 Cb 0.52 -1.64 0.23 0.00 -0.65 0.00 0.00 35.03 33.49 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 -1.75 3.46 -3.38 -5.58 8.00 -1.26 -4.87 116.55 111.17 1x1g n ASP 98 Ca 0.02 -2.41 -0.23 0.00 0.71 0.00 0.00 54.79 52.88 1x1g n ASP 98 Cb 0.11 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.67 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1x1g n ASP 99 N 0.49 -3.21 -4.52 -2.24 5.75 0.04 -4.90 116.55 107.96 1x1g n ASP 99 Ca 0.16 -0.38 -0.36 0.00 -0.01 0.00 0.00 54.79 54.21 1x1g n ASP 99 Cb 0.70 -2.69 -0.12 0.00 -1.03 0.00 0.00 41.12 37.99 1x1g n ASP 99 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x1g s THR 100 N -2.86 4.52 -0.58 2.12 2.01 -1.25 -4.90 115.64 114.70 1x1g s THR 100 Ca 0.39 -0.11 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 1x1g s THR 100 Cb -0.21 -3.09 0.08 0.00 0.01 0.00 0.00 72.50 69.29 1x1g s THR 100 CO 0.49 0.37 0.75 -1.00 -0.69 0.00 0.00 174.62 174.54 1x1g s HIS 101 N 1.20 2.93 -0.55 4.92 3.76 -1.25 -2.35 115.29 123.95 1x1g s HIS 101 Ca 0.05 -0.69 -0.20 0.00 -0.15 0.00 0.00 55.06 54.07 1x1g s HIS 101 Cb -0.14 -3.95 0.07 0.00 1.11 0.00 0.00 32.58 29.67 1x1g s HIS 101 CO 0.04 -1.30 0.70 0.71 -0.85 0.00 0.00 174.74 174.03 1x1g s TYR 102 N 3.05 2.98 -0.47 1.40 2.02 0.01 -4.78 117.35 121.57 1x1g s TYR 102 Ca 0.16 -0.61 -0.29 0.00 -0.37 0.00 0.00 57.07 55.97 1x1g s TYR 102 Cb -0.20 -3.77 0.02 0.00 -0.40 0.00 0.00 41.96 37.60 1x1g s TYR 102 CO 0.09 -1.18 1.35 0.71 -1.57 0.00 0.00 175.55 174.96 1x1g s TYR 103 N 2.87 2.45 0.24 2.71 2.02 -1.26 -1.17 117.35 125.22 1x1g s TYR 103 Ca 0.16 0.62 0.10 0.00 -0.37 0.00 0.00 57.07 57.58 1x1g s TYR 103 Cb -0.20 -4.37 -0.04 0.00 -0.40 0.00 0.00 41.96 36.95 1x1g s TYR 103 CO 0.11 -1.83 -0.06 0.42 -1.57 0.00 0.00 175.55 172.61 1x1g s ILE 104 N 5.41 3.21 0.35 2.71 1.01 0.21 -2.43 121.20 131.67 1x1g s ILE 104 Ca 0.56 -1.92 0.08 0.00 0.00 0.00 0.00 60.65 59.37 1x1g s ILE 104 Cb -0.11 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1x1g s ILE 104 CO 0.30 -0.30 0.28 -1.58 0.00 0.00 0.00 174.94 173.64 1x1g s GLN 105 N -3.39 2.63 0.18 2.79 0.74 0.24 -0.88 119.66 121.97 1x1g s GLN 105 Ca 0.29 -1.38 0.06 0.00 0.05 0.00 0.00 55.36 54.38 1x1g s GLN 105 Cb -0.07 -2.41 -0.05 0.00 1.10 0.00 0.00 33.01 31.59 1x1g s GLN 105 CO 0.18 0.05 -0.11 0.00 -0.55 0.00 0.00 175.29 174.85 1x1g s ALA 106 N -2.36 1.77 0.39 1.58 0.00 -1.26 -3.30 121.76 118.58 1x1g s ALA 106 Ca 0.42 -1.60 0.06 0.00 0.00 0.00 0.00 51.96 50.83 1x1g s ALA 106 Cb -0.05 0.02 0.77 0.00 0.00 0.00 0.00 23.12 23.87 1x1g s ALA 106 CO 0.26 -0.03 2.00 0.77 0.00 0.00 0.00 175.76 178.76 1x1g h SER 107 N 2.64 0.49 -5.10 0.00 0.02 -1.90 -3.46 113.55 106.24 1x1g h SER 107 Ca -0.37 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1x1g h SER 107 Cb 1.21 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1x1g h SER 107 CO 0.63 0.41 0.18 -0.55 -1.14 0.00 0.00 176.83 176.36 1x1g s SER 108 N -6.69 0.13 0.38 3.07 0.15 -1.26 -4.97 113.70 104.52 1x1g s SER 108 Ca -0.08 -1.14 0.06 0.00 0.70 0.00 0.00 55.95 55.48 1x1g s SER 108 Cb 0.17 0.80 0.78 0.00 -1.71 0.00 0.00 66.02 66.05 1x1g s SER 108 CO 0.74 -1.57 2.01 0.11 1.20 0.00 0.00 173.24 175.73 1x1g h LYS 109 N 2.03 0.67 -0.04 5.44 1.57 -2.01 -1.98 116.57 122.24 1x1g h LYS 109 Ca -0.30 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 1x1g h LYS 109 Cb 1.25 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1x1g h LYS 109 CO 0.38 0.44 -0.13 0.00 -0.57 0.00 0.00 179.45 179.57 1x1g h ALA 110 N 1.66 0.07 -1.05 3.86 0.00 -1.98 -3.14 119.26 118.68 1x1g h ALA 110 Ca 0.23 -0.36 0.32 0.00 0.00 0.00 0.00 54.91 55.09 1x1g h ALA 110 Cb 0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.70 1x1g h ALA 110 CO -0.06 -0.02 0.62 1.49 0.00 0.00 0.00 179.25 181.28 1x1g h GLU 111 N -0.40 0.33 0.00 0.00 4.57 -1.76 -1.68 114.58 115.65 1x1g h GLU 111 Ca -0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1x1g h GLU 111 Cb 0.76 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1x1g h GLU 111 CO 0.03 0.22 0.00 0.54 -1.18 0.00 0.00 179.01 178.62 1x1g n ARG 112 N -4.92 0.00 -0.31 1.92 1.74 -0.87 0.30 116.66 114.52 1x1g n ARG 112 Ca 0.31 0.33 -0.02 0.00 -0.77 0.00 0.00 57.85 57.70 1x1g n ARG 112 Cb 0.99 -1.25 0.02 0.00 -1.02 0.00 0.00 32.46 31.20 1x1g n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x1g n ALA 113 N -1.36 -0.16 0.02 7.54 0.00 -0.87 0.28 120.51 125.96 1x1g n ALA 113 Ca 0.00 0.77 -0.11 0.00 0.00 0.00 0.00 53.44 54.10 1x1g n ALA 113 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 1x1g n ALA 113 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x1g h GLU 114 N 0.00 -0.40 -0.28 0.00 4.39 -1.22 2.08 114.58 119.14 1x1g h GLU 114 Ca 0.25 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1x1g h GLU 114 Cb 0.45 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1x1g h GLU 114 CO -0.78 -0.27 0.18 -1.49 -1.16 0.00 0.00 179.01 175.49 1x1g h TRP 115 N -0.42 0.36 0.00 4.33 4.06 0.56 0.23 115.95 125.08 1x1g h TRP 115 Ca 0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1x1g h TRP 115 Cb 0.54 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 1x1g h TRP 115 CO -0.38 0.25 0.00 -0.89 -3.56 0.00 0.00 178.44 173.86 1x1g n ILE 116 N -4.87 0.00 -0.31 1.49 5.41 0.80 -1.21 119.36 120.66 1x1g n ILE 116 Ca -0.02 1.16 0.10 0.00 1.00 0.00 0.00 62.75 65.00 1x1g n ILE 116 Cb 0.04 -2.14 0.21 0.00 -0.71 0.00 0.00 39.64 37.03 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 -1.01 -0.07 0.02 0.38 2.13 0.70 0.70 120.64 123.48 1x1g n GLU 117 Ca 0.00 1.35 -0.15 0.00 0.66 0.00 0.00 57.16 59.02 1x1g n GLU 117 Cb 0.00 -2.09 -0.09 0.00 0.27 0.00 0.00 31.44 29.53 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 1.77 -0.87 -0.33 4.31 0.00 -0.44 0.60 119.26 124.29 1x1g h ALA 118 Ca 0.49 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1x1g h ALA 118 Cb 0.93 0.96 -0.06 0.00 0.00 0.00 0.00 17.79 19.62 1x1g h ALA 118 CO -0.86 -1.08 -0.04 0.82 0.00 0.00 0.00 179.25 178.09 1x1g h ILE 119 N -0.61 0.72 -0.79 0.00 2.04 0.17 -1.46 117.51 117.58 1x1g h ILE 119 Ca 0.03 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 66.02 1x1g h ILE 119 Cb 0.69 0.66 -0.14 0.00 -0.74 0.00 0.00 36.82 37.29 1x1g h ILE 119 CO -0.40 0.01 -0.29 0.11 0.00 0.00 0.00 178.15 177.58 1x1g h LYS 120 N 0.05 -0.05 -0.31 2.37 1.57 0.47 0.15 116.57 120.81 1x1g h LYS 120 Ca 0.16 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1x1g h LYS 120 Cb 0.23 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 1x1g h LYS 120 CO -0.30 -0.03 -0.55 0.87 -0.57 0.00 0.00 179.45 178.87 1x1g h LYS 121 N -0.05 -0.45 -0.50 3.15 1.57 0.16 1.54 116.57 121.99 1x1g h LYS 121 Ca 0.33 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.20 1x1g h LYS 121 Cb 0.59 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.91 1x1g h LYS 121 CO -0.83 -0.30 -0.54 -0.07 -0.57 0.00 0.00 179.45 177.15 1x1g h LEU 122 N -0.46 -1.84 0.00 2.94 -0.00 -0.54 -3.24 115.31 112.16 1x1g h LEU 122 Ca 0.06 0.25 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1x1g h LEU 122 Cb 0.63 0.77 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 1x1g h LEU 122 CO -0.54 -0.37 0.00 0.35 -0.00 0.00 0.00 178.44 177.87 1x1g n THR 123 N -5.37 0.00 -3.29 0.22 -2.24 -0.33 -4.79 114.28 98.47 1x1g n THR 123 Ca -0.02 0.73 -0.37 0.00 -2.27 0.00 0.00 64.05 62.12 1x1g n THR 123 Cb 0.33 -1.53 -0.06 0.00 -2.10 0.00 0.00 70.33 66.98 1x1g n THR 123 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x1g s SER 124 N -1.80 6.94 0.00 3.42 0.01 0.52 -4.81 113.70 117.97 1x1g s SER 124 Ca 0.00 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1x1g s SER 124 Cb 0.00 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1x1g s SER 124 CO 0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1x1g n GLY 125 N 1.10 0.31 3.78 3.44 0.00 -1.25 -3.08 105.19 109.49 1x1g n GLY 125 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 1.14 0.94 -0.08 1.61 0.04 -1.26 -4.62 135.00 132.77 1x1g s PRO 126 Ca 0.00 0.21 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 1x1g s PRO 126 Cb 0.00 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1x1g s PRO 126 CO 0.00 -2.32 0.03 0.43 0.04 0.00 0.00 177.00 175.18 1x1g n SER 127 N -3.83 -6.47 0.14 6.66 7.64 -1.26 -4.97 113.62 111.52 1x1g n SER 127 Ca 0.08 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1x1g n SER 127 Cb 0.59 -2.65 0.00 0.00 -1.01 0.00 0.00 64.21 61.14 1x1g n SER 127 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x1g n SER 128 N 1.54 -0.96 0.00 6.43 2.88 -1.26 -5.11 113.62 117.14 1x1g n SER 128 Ca -0.04 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1x1g n SER 128 Cb 0.30 1.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.83 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42