#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 -0.17 -0.00 1.61 0.01 -1.26 -5.18 113.70 108.71 1x1g s SER 2 Ca 0.00 -0.68 -0.29 0.00 1.31 0.00 0.00 55.95 56.29 1x1g s SER 2 Cb 0.00 0.58 0.10 0.00 0.21 0.00 0.00 66.02 66.91 1x1g s SER 2 CO 0.00 -1.10 0.98 -0.94 0.41 0.00 0.00 173.24 172.59 1x1g s SER 3 N -2.94 -0.27 0.00 2.44 1.04 -1.26 -5.19 113.70 107.53 1x1g s SER 3 Ca 0.14 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1x1g s SER 3 Cb -0.01 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1x1g s SER 3 CO 0.02 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1x1g n GLY 4 N -0.28 -0.50 3.50 7.32 0.00 -1.26 -5.19 105.19 108.78 1x1g n GLY 4 Ca -0.07 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1x1g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g s SER 5 N 0.00 -0.20 0.13 1.61 0.01 -1.26 -5.18 113.70 108.81 1x1g s SER 5 Ca 0.00 -0.58 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 1x1g s SER 5 Cb 0.00 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.76 1x1g s SER 5 CO 0.00 -1.04 0.09 -0.55 0.41 0.00 0.00 173.24 172.15 1x1g s SER 6 N -2.90 0.27 0.00 2.44 0.15 -1.26 -5.14 113.70 107.27 1x1g s SER 6 Ca 0.11 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.65 1x1g s SER 6 Cb -0.00 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1x1g s SER 6 CO -0.01 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.29 1x1g n GLY 7 N -0.09 0.44 0.27 9.45 0.00 -1.26 -4.79 105.19 109.21 1x1g n GLY 7 Ca -0.07 -2.31 -0.07 0.00 0.00 0.00 0.00 46.02 43.57 1x1g n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x1g h SER 8 N 0.00 -0.78 -6.27 1.61 0.02 -2.00 -3.47 113.55 102.66 1x1g h SER 8 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1x1g h SER 8 Cb 0.00 0.39 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1x1g h SER 8 CO 0.00 -0.26 -0.97 -0.11 -1.14 0.00 0.00 176.83 174.35 1x1g n LEU 9 N -5.39 -3.94 0.01 5.07 0.00 -1.26 -4.90 117.00 106.60 1x1g n LEU 9 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 56.01 56.52 1x1g n LEU 9 Cb 0.30 -1.71 0.00 0.00 0.00 0.00 0.00 43.42 42.01 1x1g n LEU 9 CO 0.11 -1.60 0.00 -1.20 0.00 0.00 0.00 177.39 174.71 1x1g n SER 10 N 1.29 -0.14 -4.15 1.96 7.64 -1.26 -5.15 113.62 113.80 1x1g n SER 10 Ca -0.00 0.03 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 1x1g n SER 10 Cb 0.45 0.51 -0.11 0.00 -1.01 0.00 0.00 64.21 64.05 1x1g n SER 10 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x1g s THR 11 N -1.04 0.79 0.21 0.44 2.01 -1.26 -5.06 115.64 111.73 1x1g s THR 11 Ca 0.00 -1.64 0.00 0.00 0.31 0.00 0.00 61.69 60.36 1x1g s THR 11 Cb 0.00 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1x1g s THR 11 CO 0.00 -0.63 0.00 0.55 -0.69 0.00 0.00 174.62 173.85 1x1g n VAL 12 N 0.52 0.00 -0.02 3.82 3.14 -1.26 -4.63 118.33 119.90 1x1g n VAL 12 Ca -0.16 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.12 1x1g n VAL 12 Cb 0.58 -0.34 -0.04 0.00 -1.06 0.00 0.00 33.84 32.98 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 0.08 -0.00 1.45 5.08 -1.99 0.17 114.58 119.37 1x1g h GLU 13 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x1g h GLU 13 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1x1g h GLU 13 CO 0.00 0.05 -0.01 1.28 -1.00 0.00 0.00 179.01 179.33 1x1g n LEU 14 N -5.10 0.23 -3.68 1.33 7.99 -1.26 -4.18 117.00 112.33 1x1g n LEU 14 Ca -0.04 -0.02 -0.41 0.00 -0.01 0.00 0.00 56.01 55.53 1x1g n LEU 14 Cb 0.08 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 1x1g n LEU 14 CO 0.29 0.04 1.92 -0.24 -1.51 0.00 0.00 177.39 177.89 1x1g n SER 15 N -0.89 6.98 -4.14 -1.43 2.88 0.05 -4.92 113.62 112.14 1x1g n SER 15 Ca 0.21 -3.29 -0.09 0.00 -1.33 0.00 0.00 58.87 54.37 1x1g n SER 15 Cb 0.17 -1.34 -0.10 0.00 -0.75 0.00 0.00 64.21 62.20 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 -0.19 0.74 -0.22 0.46 0.00 -1.26 -4.21 107.32 102.63 1x1g s GLY 16 Ca 0.44 -1.34 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 1x1g s GLY 16 CO -0.05 -1.39 1.71 -1.59 0.00 0.00 0.00 173.10 171.78 1x1g s THR 17 N -3.83 3.57 -0.17 0.90 2.01 0.18 -4.62 115.64 113.68 1x1g s THR 17 Ca 0.14 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 1x1g s THR 17 Cb 0.07 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1x1g s THR 17 CO -0.05 -0.28 1.73 -0.69 -0.69 0.00 0.00 174.62 174.65 1x1g s VAL 18 N 5.63 3.53 -0.18 3.82 1.01 -1.26 0.27 120.40 133.21 1x1g s VAL 18 Ca 0.76 0.60 0.15 0.00 0.00 0.00 0.00 61.98 63.49 1x1g s VAL 18 Cb -0.26 -3.52 -0.22 0.00 0.00 0.00 0.00 36.38 32.38 1x1g s VAL 18 CO 0.31 -0.20 0.05 1.33 0.00 0.00 0.00 175.10 176.58 1x1g n VAL 19 N 6.37 1.24 -3.85 2.92 0.24 0.16 -4.95 118.33 120.47 1x1g n VAL 19 Ca 0.20 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.34 61.63 1x1g n VAL 19 Cb 0.44 -0.57 -0.11 0.00 -1.47 0.00 0.00 33.84 32.14 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 -2.44 0.38 -0.29 7.34 2.47 -0.89 -5.00 119.74 121.32 1x1g s LYS 20 Ca -0.10 -0.15 -0.16 0.00 -1.56 0.00 0.00 55.97 54.00 1x1g s LYS 20 Cb 0.05 0.16 0.13 0.00 -1.46 0.00 0.00 37.83 36.72 1x1g s LYS 20 CO 0.73 -0.08 0.91 1.14 0.16 0.00 0.00 175.35 178.20 1x1g s GLN 21 N -0.81 0.45 0.00 4.03 1.03 -1.26 0.29 119.66 123.40 1x1g s GLN 21 Ca -0.09 0.80 0.00 0.00 0.04 0.00 0.00 55.36 56.11 1x1g s GLN 21 Cb -0.05 0.12 0.00 0.00 0.03 0.00 0.00 33.01 33.10 1x1g s GLN 21 CO 0.01 -0.10 0.00 0.41 -2.54 0.00 0.00 175.29 173.07 1x1g n GLY 22 N 3.92 2.28 2.89 2.60 0.00 -0.46 -5.02 105.19 111.39 1x1g n GLY 22 Ca -0.18 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.45 2.07 0.44 1.61 2.02 -1.26 -1.73 117.35 120.05 1x1g s TYR 23 Ca 0.00 -1.55 0.08 0.00 -0.37 0.00 0.00 57.07 55.23 1x1g s TYR 23 Cb 0.00 -1.46 -0.00 0.00 -0.40 0.00 0.00 41.96 40.10 1x1g s TYR 23 CO 0.00 -0.74 0.44 -0.51 -1.57 0.00 0.00 175.55 173.17 1x1g s LEU 24 N 1.50 3.34 -0.31 -1.29 1.43 0.28 -4.19 118.68 119.44 1x1g s LEU 24 Ca -0.04 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1x1g s LEU 24 Cb -0.18 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.10 1x1g s LEU 24 CO -0.07 -0.76 0.04 0.00 0.23 0.00 0.00 176.35 175.79 1x1g s ALA 25 N -2.50 2.35 -0.25 4.21 0.00 -1.06 0.22 121.76 124.73 1x1g s ALA 25 Ca 0.49 -2.07 -0.22 0.00 0.00 0.00 0.00 51.96 50.15 1x1g s ALA 25 Cb -0.04 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1x1g s ALA 25 CO 0.29 -1.58 0.73 0.21 0.00 0.00 0.00 175.76 175.41 1x1g s LYS 26 N 1.19 4.14 0.41 0.00 2.20 -0.81 -1.74 119.74 125.13 1x1g s LYS 26 Ca 0.07 0.74 -0.24 0.00 -0.36 0.00 0.00 55.97 56.18 1x1g s LYS 26 Cb -0.19 -3.65 -0.09 0.00 -1.51 0.00 0.00 37.83 32.40 1x1g s LYS 26 CO -0.12 -0.47 1.08 -1.14 -0.36 0.00 0.00 175.35 174.33 1x1g s GLN 27 N 2.68 4.08 -0.05 4.03 -0.44 -0.97 -3.45 119.66 125.54 1x1g s GLN 27 Ca 0.31 1.59 -0.31 0.00 -2.50 0.00 0.00 55.36 54.44 1x1g s GLN 27 Cb -0.15 -2.53 0.13 0.00 -1.64 0.00 0.00 33.01 28.82 1x1g s GLN 27 CO 0.08 -0.23 1.36 0.20 0.50 0.00 0.00 175.29 177.19 1x1g s GLY 28 N -1.49 -0.38 -0.92 2.59 0.00 -1.18 -4.81 107.32 101.13 1x1g s GLY 28 Ca 0.59 0.64 -0.24 0.00 0.00 0.00 0.00 44.72 45.70 1x1g s GLY 28 CO 0.30 1.71 1.45 -2.38 0.00 0.00 0.00 173.10 174.18 1x1g s HIS 29 N -2.16 2.38 0.28 1.90 -3.43 -1.26 -4.71 115.29 108.27 1x1g s HIS 29 Ca 0.19 -0.45 -0.13 0.00 -0.80 0.00 0.00 55.06 53.87 1x1g s HIS 29 Cb 0.05 -4.61 0.00 0.00 -1.43 0.00 0.00 32.58 26.59 1x1g s HIS 29 CO -0.04 -1.98 0.54 0.21 -2.00 0.00 0.00 174.74 171.46 1x1g s LYS 30 N 5.41 1.68 0.22 -0.38 2.20 -1.26 -5.04 119.74 122.58 1x1g s LYS 30 Ca 0.45 -1.30 -0.18 0.00 -0.36 0.00 0.00 55.97 54.59 1x1g s LYS 30 Cb -0.03 0.50 0.23 0.00 -1.51 0.00 0.00 37.83 37.01 1x1g s LYS 30 CO -0.01 -0.72 1.52 -2.13 -0.36 0.00 0.00 175.35 173.65 1x1g n ARG 31 N -0.43 -0.24 -3.67 4.03 3.00 -1.26 -4.17 116.66 113.92 1x1g n ARG 31 Ca -0.02 1.51 -0.37 0.00 -0.00 0.00 0.00 57.85 58.96 1x1g n ARG 31 Cb 0.61 -2.24 -0.06 0.00 0.00 0.00 0.00 32.46 30.77 1x1g n ARG 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1x1g s LYS 32 N -5.91 3.76 0.09 -0.14 1.02 -1.26 -5.00 119.74 112.30 1x1g s LYS 32 Ca -0.13 0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 1x1g s LYS 32 Cb 0.20 -3.24 -0.13 0.00 -0.52 0.00 0.00 37.83 34.14 1x1g s LYS 32 CO 0.70 0.66 1.64 -2.95 -0.92 0.00 0.00 175.35 174.48 1x1g h ASN 33 N 5.12 -0.75 -3.79 2.83 7.08 -1.85 -3.38 115.58 120.85 1x1g h ASN 33 Ca -0.51 0.06 -0.68 0.00 -3.08 0.00 0.00 56.30 52.09 1x1g h ASN 33 Cb 1.22 0.25 -0.34 0.00 -2.08 0.00 0.00 38.32 37.36 1x1g h ASN 33 CO 0.62 -0.42 -0.73 0.26 -2.08 0.00 0.00 177.43 175.09 1x1g s TRP 34 N -6.05 3.29 -0.14 4.14 0.52 -1.26 -3.11 118.94 116.32 1x1g s TRP 34 Ca -0.16 -2.06 -0.16 0.00 0.02 0.00 0.00 56.10 53.74 1x1g s TRP 34 Cb 0.06 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 1x1g s TRP 34 CO 0.64 -0.84 0.38 0.15 0.02 0.00 0.00 176.95 177.30 1x1g s LYS 35 N 1.19 4.29 0.04 4.98 -0.14 -1.22 -4.93 119.74 123.95 1x1g s LYS 35 Ca -0.06 0.27 -0.30 0.00 -1.36 0.00 0.00 55.97 54.52 1x1g s LYS 35 Cb -0.20 -3.42 -0.04 0.00 -1.68 0.00 0.00 37.83 32.48 1x1g s LYS 35 CO -0.03 0.21 1.04 0.08 -0.76 0.00 0.00 175.35 175.89 1x1g s VAL 36 N 0.50 4.55 0.06 3.17 1.01 -1.26 -1.93 120.40 126.49 1x1g s VAL 36 Ca 0.21 1.89 0.01 0.00 0.00 0.00 0.00 61.98 64.09 1x1g s VAL 36 Cb -0.14 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1x1g s VAL 36 CO 0.07 0.18 -0.05 -0.13 0.00 0.00 0.00 175.10 175.17 1x1g s ARG 37 N 0.77 0.61 -0.57 2.72 0.52 0.60 -4.62 118.95 118.98 1x1g s ARG 37 Ca 0.53 -1.07 -0.21 0.00 -0.52 0.00 0.00 55.73 54.46 1x1g s ARG 37 Cb -0.24 -0.02 0.07 0.00 0.52 0.00 0.00 34.95 35.28 1x1g s ARG 37 CO 0.29 -0.04 0.79 0.50 0.02 0.00 0.00 175.30 176.85 1x1g s ARG 38 N -3.06 3.14 -0.03 3.54 3.52 0.45 1.00 118.95 127.51 1x1g s ARG 38 Ca 0.02 -0.86 -0.10 0.00 -0.13 0.00 0.00 55.73 54.65 1x1g s ARG 38 Cb 0.01 -4.16 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 1x1g s ARG 38 CO -0.05 -1.49 0.30 -0.06 -0.81 0.00 0.00 175.30 173.18 1x1g s PHE 39 N 3.24 3.65 -0.02 5.12 0.40 -0.71 0.99 117.98 130.65 1x1g s PHE 39 Ca 0.19 0.75 0.06 0.00 -0.60 0.00 0.00 56.93 57.33 1x1g s PHE 39 Cb -0.19 -2.11 -0.01 0.00 0.51 0.00 0.00 43.02 41.22 1x1g s PHE 39 CO 0.12 0.66 -0.20 0.54 0.70 0.00 0.00 175.22 177.03 1x1g s VAL 40 N -1.14 1.59 -0.22 -0.44 0.11 0.57 -1.36 120.40 119.51 1x1g s VAL 40 Ca 0.23 -0.85 -0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1x1g s VAL 40 Cb -0.14 -1.32 0.01 0.00 -1.53 0.00 0.00 36.38 33.39 1x1g s VAL 40 CO 0.11 0.45 -0.08 -0.22 -3.33 0.00 0.00 175.10 172.03 1x1g s LEU 41 N -0.42 2.81 0.13 2.54 0.20 0.85 -1.44 118.68 123.36 1x1g s LEU 41 Ca 0.06 -0.60 0.10 0.00 0.69 0.00 0.00 54.13 54.38 1x1g s LEU 41 Cb -0.08 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.98 1x1g s LEU 41 CO -0.00 -0.05 -0.21 -0.13 -0.29 0.00 0.00 176.35 175.67 1x1g s ARG 42 N 1.39 1.67 0.06 1.98 0.52 -0.11 0.36 118.95 124.82 1x1g s ARG 42 Ca 0.04 -1.26 0.05 0.00 -0.52 0.00 0.00 55.73 54.04 1x1g s ARG 42 Cb -0.15 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 1x1g s ARG 42 CO -0.06 0.46 -0.15 -1.59 0.02 0.00 0.00 175.30 173.99 1x1g s LYS 43 N -2.21 0.88 -0.49 3.54 -2.85 0.14 -1.57 119.74 117.19 1x1g s LYS 43 Ca 0.17 -0.91 -0.35 0.00 -1.00 0.00 0.00 55.97 53.89 1x1g s LYS 43 Cb -0.10 -0.91 0.05 0.00 -2.06 0.00 0.00 37.83 34.82 1x1g s LYS 43 CO 0.09 0.21 0.66 -3.47 0.10 0.00 0.00 175.35 172.94 1x1g n ASP 44 N 1.46 -5.48 -4.80 0.03 2.03 -1.26 -0.65 116.55 107.88 1x1g n ASP 44 Ca -0.20 -0.23 -0.30 0.00 0.52 0.00 0.00 54.79 54.58 1x1g n ASP 44 Cb 0.54 -1.72 0.10 0.00 -0.72 0.00 0.00 41.12 39.31 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 -2.71 1.96 -0.38 -0.67 0.04 -1.26 -3.76 135.00 128.22 1x1g s PRO 45 Ca 0.34 0.59 -0.19 0.00 0.04 0.00 0.00 61.00 61.79 1x1g s PRO 45 Cb -0.04 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1x1g s PRO 45 CO 0.88 -1.70 0.54 0.00 0.04 0.00 0.00 177.00 176.76 1x1g s ALA 46 N -3.17 3.44 0.09 8.56 0.00 -1.26 -4.61 121.76 124.81 1x1g s ALA 46 Ca 0.61 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.26 1x1g s ALA 46 Cb -0.14 -3.09 0.05 0.00 0.00 0.00 0.00 23.12 19.94 1x1g s ALA 46 CO 0.54 -1.39 0.53 -0.06 0.00 0.00 0.00 175.76 175.38 1x1g s PHE 47 N 2.48 -0.42 -0.16 0.00 0.08 -0.61 -4.16 117.98 115.19 1x1g s PHE 47 Ca 0.19 0.34 -0.02 0.00 0.12 0.00 0.00 56.93 57.56 1x1g s PHE 47 Cb -0.15 0.39 0.05 0.00 -0.57 0.00 0.00 43.02 42.74 1x1g s PHE 47 CO 0.15 -0.72 0.01 -1.17 -0.10 0.00 0.00 175.22 173.39 1x1g s LEU 48 N -2.34 1.16 0.36 -0.37 2.96 -1.22 -0.94 118.68 118.30 1x1g s LEU 48 Ca -0.02 -0.63 0.09 0.00 -0.22 0.00 0.00 54.13 53.35 1x1g s LEU 48 Cb -0.00 -0.64 -0.07 0.00 0.50 0.00 0.00 46.19 45.98 1x1g s LEU 48 CO -0.07 -0.25 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.64 1x1g s HIS 49 N 1.83 2.43 -0.17 5.38 3.76 -0.52 -2.50 115.29 125.50 1x1g s HIS 49 Ca 0.01 -0.55 -0.19 0.00 -0.15 0.00 0.00 55.06 54.17 1x1g s HIS 49 Cb -0.16 -1.49 0.05 0.00 1.11 0.00 0.00 32.58 32.09 1x1g s HIS 49 CO -0.07 0.55 0.53 1.52 -0.85 0.00 0.00 174.74 176.41 1x1g s TYR 50 N -2.64 -0.56 0.32 1.40 -0.85 -1.26 0.21 117.35 113.98 1x1g s TYR 50 Ca 0.33 1.31 0.10 0.00 -0.52 0.00 0.00 57.07 58.29 1x1g s TYR 50 Cb 0.05 0.21 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 1x1g s TYR 50 CO 0.17 -0.32 -0.04 0.71 -1.52 0.00 0.00 175.55 174.55 1x1g s TYR 51 N 0.01 2.50 -0.22 -3.49 1.51 0.28 -0.69 117.35 117.24 1x1g s TYR 51 Ca -0.02 -0.41 -0.19 0.00 -1.01 0.00 0.00 57.07 55.44 1x1g s TYR 51 Cb -0.04 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1x1g s TYR 51 CO 0.02 0.55 0.53 0.34 -1.11 0.00 0.00 175.55 175.88 1x1g s ASP 52 N -3.66 6.54 0.00 2.29 -1.08 -1.26 -0.41 116.67 119.08 1x1g s ASP 52 Ca 0.33 0.65 0.21 0.00 -0.52 0.00 0.00 52.55 53.23 1x1g s ASP 52 Cb -0.01 -2.30 1.28 0.00 -1.46 0.00 0.00 42.92 40.43 1x1g s ASP 52 CO 0.18 -0.22 1.68 -0.81 0.52 0.00 0.00 175.17 176.52 1x1g n PRO 53 N 5.03 0.75 -0.11 4.34 -0.04 -1.26 -3.26 135.00 140.45 1x1g n PRO 53 Ca -0.04 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.18 1x1g n PRO 53 Cb 0.50 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.95 1.67 -3.09 3.54 7.64 -1.26 -5.01 113.62 116.17 1x1g n SER 54 Ca 0.16 0.29 -0.16 0.00 1.01 0.00 0.00 58.87 60.17 1x1g n SER 54 Cb 0.07 -0.69 0.14 0.00 -1.01 0.00 0.00 64.21 62.73 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 -4.08 -2.86 -3.33 1.43 4.76 -1.20 -5.05 118.16 107.83 1x1g n LYS 55 Ca -0.43 -0.85 -0.14 0.00 -2.87 0.00 0.00 58.31 54.02 1x1g n LYS 55 Cb 0.80 -0.94 -0.06 0.00 -1.84 0.00 0.00 35.03 32.98 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 -4.21 0.68 -0.13 1.97 2.02 -1.26 -4.93 118.70 112.84 1x1g s GLU 56 Ca 0.37 -0.76 -0.13 0.00 0.02 0.00 0.00 54.97 54.47 1x1g s GLU 56 Cb -0.05 -0.58 0.03 0.00 0.10 0.00 0.00 34.13 33.64 1x1g s GLU 56 CO 0.29 -1.20 0.35 -2.00 0.02 0.00 0.00 175.26 172.73 1x1g s GLU 57 N 1.50 0.44 -1.02 1.61 2.12 -1.26 -5.04 118.70 117.05 1x1g s GLU 57 Ca 0.17 0.45 -0.08 0.00 0.36 0.00 0.00 54.97 55.87 1x1g s GLU 57 Cb -0.13 0.21 -0.12 0.00 0.26 0.00 0.00 34.13 34.35 1x1g s GLU 57 CO -0.04 -0.06 2.83 0.09 -0.54 0.00 0.00 175.26 177.54 1x1g n ASN 58 N 2.77 6.71 -3.57 -1.70 4.13 -1.26 -4.74 115.26 117.60 1x1g n ASN 58 Ca -0.14 -2.45 -0.07 0.00 1.68 0.00 0.00 54.58 53.61 1x1g n ASN 58 Cb 0.57 -1.36 -0.03 0.00 -1.54 0.00 0.00 39.78 37.43 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 2.22 0.50 0.66 3.52 6.06 -1.26 -5.17 118.95 125.47 1x1g s ARG 59 Ca 0.59 -0.10 -0.13 0.00 -2.50 0.00 0.00 55.73 53.60 1x1g s ARG 59 Cb 0.19 0.23 -0.01 0.00 0.06 0.00 0.00 34.95 35.42 1x1g s ARG 59 CO -0.04 -0.20 1.06 -1.25 -2.50 0.00 0.00 175.30 172.37 1x1g s PRO 60 N -2.19 3.11 0.20 5.12 0.04 -1.26 -4.83 135.00 135.19 1x1g s PRO 60 Ca 0.06 1.03 0.06 0.00 0.04 0.00 0.00 61.00 62.19 1x1g s PRO 60 Cb -0.01 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1x1g s PRO 60 CO -0.05 -0.97 1.45 0.28 0.04 0.00 0.00 177.00 177.76 1x1g h VAL 61 N -0.29 1.51 0.00 -0.36 2.07 -1.25 -3.48 116.25 114.45 1x1g h VAL 61 Ca -0.45 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.52 1x1g h VAL 61 Cb 1.21 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1x1g h VAL 61 CO 0.57 0.74 0.00 0.61 0.02 0.00 0.00 177.57 179.51 1x1g n GLY 62 N 0.70 1.49 0.00 2.17 0.00 -1.22 -5.08 105.19 103.24 1x1g n GLY 62 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 1.73 2.71 -0.02 0.00 -1.26 -4.59 105.19 103.75 1x1g n GLY 63 Ca 0.00 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 1x1g n GLY 63 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x1g n PHE 64 N 2.80 -0.67 -2.73 1.61 1.16 -1.04 -4.95 117.46 113.64 1x1g n PHE 64 Ca 0.00 -1.68 -0.26 0.00 -1.87 0.00 0.00 57.45 53.64 1x1g n PHE 64 Cb 0.00 -0.31 0.00 0.00 -1.61 0.00 0.00 39.48 37.56 1x1g n PHE 64 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1x1g s SER 65 N -3.28 6.12 -0.12 5.98 0.01 -1.26 -3.38 113.70 117.77 1x1g s SER 65 Ca 0.20 0.77 0.02 0.00 1.31 0.00 0.00 55.95 58.25 1x1g s SER 65 Cb -0.02 -2.06 -0.09 0.00 0.21 0.00 0.00 66.02 64.07 1x1g s SER 65 CO 0.13 -0.63 -0.09 0.18 0.41 0.00 0.00 173.24 173.24 1x1g n LEU 66 N -2.23 2.52 -0.23 2.44 4.77 -1.26 -4.40 117.00 118.62 1x1g n LEU 66 Ca 0.01 -0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 55.87 1x1g n LEU 66 Cb 0.56 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1x1g n LEU 66 CO 0.52 0.63 0.45 0.54 -1.33 0.00 0.00 177.39 178.20 1x1g n ARG 67 N -2.78 -0.24 -1.79 3.23 5.12 -1.26 -0.18 116.66 118.76 1x1g n ARG 67 Ca -0.21 1.20 -0.38 0.00 -1.93 0.00 0.00 57.85 56.53 1x1g n ARG 67 Cb 0.74 -1.78 0.04 0.00 -1.16 0.00 0.00 32.46 30.31 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 -1.14 5.51 1.14 -0.13 0.00 -1.26 -4.71 105.19 104.60 1x1g n GLY 68 Ca 0.01 -2.41 -0.10 0.00 0.00 0.00 0.00 46.02 43.53 1x1g n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1g n SER 69 N -0.52 1.99 -3.85 1.61 3.41 0.75 -1.41 113.62 115.60 1x1g n SER 69 Ca 0.55 -1.71 -0.09 0.00 -0.26 0.00 0.00 58.87 57.36 1x1g n SER 69 Cb 0.32 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1x1g n SER 69 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x1g s LEU 70 N 0.00 0.01 -0.13 1.04 1.43 0.30 -4.91 118.68 116.42 1x1g s LEU 70 Ca 0.02 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1x1g s LEU 70 Cb 0.00 2.26 0.04 0.00 0.03 0.00 0.00 46.19 48.52 1x1g s LEU 70 CO 0.02 -1.18 0.46 0.54 0.23 0.00 0.00 176.35 176.41 1x1g s VAL 71 N -3.93 0.01 0.08 -1.59 0.11 -1.26 -2.01 120.40 111.82 1x1g s VAL 71 Ca 0.13 -0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 58.84 1x1g s VAL 71 Cb -0.03 -0.68 0.06 0.00 -1.53 0.00 0.00 36.38 34.21 1x1g s VAL 71 CO 0.04 -0.05 0.59 -0.44 -3.33 0.00 0.00 175.10 171.90 1x1g s SER 72 N -0.22 -0.54 0.25 3.54 0.01 -0.78 -4.96 113.70 111.00 1x1g s SER 72 Ca -0.04 0.19 -0.05 0.00 1.31 0.00 0.00 55.95 57.35 1x1g s SER 72 Cb -0.03 0.55 -0.06 0.00 0.21 0.00 0.00 66.02 66.70 1x1g s SER 72 CO 0.02 -0.82 0.51 0.00 0.41 0.00 0.00 173.24 173.36 1x1g s ALA 73 N -2.87 3.65 -0.06 1.44 0.00 -1.26 0.53 121.76 123.20 1x1g s ALA 73 Ca -0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 1x1g s ALA 73 Cb -0.01 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1x1g s ALA 73 CO -0.05 0.37 0.21 -0.51 0.00 0.00 0.00 175.76 175.78 1x1g s LEU 74 N -3.26 4.39 0.56 0.00 1.43 0.47 -4.84 118.68 117.43 1x1g s LEU 74 Ca 0.44 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 54.02 1x1g s LEU 74 Cb -0.11 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1x1g s LEU 74 CO 0.27 0.34 0.84 -0.70 0.23 0.00 0.00 176.35 177.34 1x1g s GLU 75 N -1.36 2.97 0.01 1.70 2.12 -1.26 -4.29 118.70 118.59 1x1g s GLU 75 Ca 0.21 -0.12 -0.00 0.00 0.36 0.00 0.00 54.97 55.42 1x1g s GLU 75 Cb -0.13 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 1x1g s GLU 75 CO 0.10 -0.59 0.09 0.34 -0.54 0.00 0.00 175.26 174.66 1x1g s ASP 76 N -4.28 5.69 0.00 -1.70 -1.08 -1.26 -4.84 116.67 109.20 1x1g s ASP 76 Ca 0.52 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 1x1g s ASP 76 Cb -0.10 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.72 1x1g s ASP 76 CO 0.43 0.26 0.00 -3.20 0.52 0.00 0.00 175.17 173.18 1x1g n ASN 77 N 1.09 0.00 0.00 -0.34 2.85 -1.26 -5.09 115.26 112.51 1x1g n ASN 77 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1x1g n ASN 77 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x1g n GLY 78 N 0.00 -0.42 1.65 8.20 0.00 -1.26 -5.14 105.19 108.22 1x1g n GLY 78 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1x1g n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 79 N 0.00 -5.24 0.05 1.61 0.31 -1.26 -4.93 118.33 108.87 1x1g n VAL 79 Ca 0.00 2.36 -0.03 0.00 -0.01 0.00 0.00 64.34 66.66 1x1g n VAL 79 Cb 0.00 -3.19 -0.01 0.00 -0.91 0.00 0.00 33.84 29.72 1x1g n VAL 79 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1x1g h PRO 80 N 2.56 -0.17 -0.85 5.55 0.13 -1.93 -3.48 132.00 133.81 1x1g h PRO 80 Ca 0.00 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.28 1x1g h PRO 80 Cb 0.00 0.04 -0.21 0.00 0.13 0.00 0.00 31.00 30.96 1x1g h PRO 80 CO 0.00 -0.11 -0.13 -0.08 -0.23 0.00 0.00 178.00 177.44 1x1g s THR 81 N -2.09 -0.79 -0.86 1.56 -1.32 -1.26 -4.99 115.64 105.88 1x1g s THR 81 Ca -0.03 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.24 1x1g s THR 81 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1x1g s THR 81 CO 0.08 0.00 0.50 0.61 -2.21 0.00 0.00 174.62 173.60 1x1g n GLY 82 N 5.43 -0.69 0.03 6.08 0.00 -1.26 -4.82 105.19 109.95 1x1g n GLY 82 Ca -0.03 0.29 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.71 0.34 -2.01 1.61 0.31 -1.26 -5.12 118.33 108.49 1x1g n VAL 83 Ca -0.11 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1x1g n VAL 83 Cb 0.44 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.42 -5.10 0.00 5.55 4.76 -1.26 -4.85 118.16 114.84 1x1g n LYS 84 Ca -0.09 3.67 0.00 0.00 -2.87 0.00 0.00 58.31 59.02 1x1g n LYS 84 Cb 0.64 -4.04 0.00 0.00 -1.84 0.00 0.00 35.03 29.79 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 1.75 1.72 2.90 0.72 0.00 -1.26 -4.90 105.19 106.12 1x1g n GLY 85 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1x1g n GLY 85 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x1g n ASN 86 N 0.00 -5.88 -4.68 1.61 2.85 -1.26 -4.89 115.26 103.01 1x1g n ASN 86 Ca 0.00 1.03 -0.31 0.00 -0.11 0.00 0.00 54.58 55.20 1x1g n ASN 86 Cb 0.00 -3.51 0.16 0.00 1.24 0.00 0.00 39.78 37.67 1x1g n ASN 86 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1x1g s VAL 87 N -0.93 2.21 0.00 3.44 0.11 -1.26 -4.86 120.40 119.12 1x1g s VAL 87 Ca -0.06 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1x1g s VAL 87 Cb 0.00 -2.15 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 1x1g s VAL 87 CO 0.41 -0.09 0.00 0.00 -3.33 0.00 0.00 175.10 172.09 1x1g n GLN 88 N -4.19 0.00 0.00 1.54 1.13 -1.26 -4.78 117.38 109.83 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 0.52 -0.23 0.00 0.00 0.11 0.00 0.00 30.24 30.64 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 -0.21 2.37 1.08 0.00 -1.26 -4.87 105.19 102.30 1x1g n GLY 89 Ca 0.00 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 7.58 -3.24 1.61 3.02 -1.26 -4.36 115.26 118.61 1x1g n ASN 90 Ca 0.00 -2.50 -0.15 0.00 -0.03 0.00 0.00 54.58 51.90 1x1g n ASN 90 Cb 0.00 -1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 37.71 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 3.68 0.00 -3.89 3.41 4.32 -1.26 -4.68 117.00 118.57 1x1g n LEU 91 Ca 0.68 -1.49 -0.09 0.00 -0.02 0.00 0.00 56.01 55.09 1x1g n LEU 91 Cb 0.24 0.17 -0.04 0.00 -1.62 0.00 0.00 43.42 42.17 1x1g n LEU 91 CO 0.78 -0.21 0.24 0.72 -1.22 0.00 0.00 177.39 177.70 1x1g s PHE 92 N -1.87 0.13 0.26 -1.77 -0.12 -1.13 -0.39 117.98 113.09 1x1g s PHE 92 Ca 0.00 -0.50 0.03 0.00 -0.05 0.00 0.00 56.93 56.41 1x1g s PHE 92 Cb 0.00 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.65 1x1g s PHE 92 CO 0.00 -0.99 0.03 -1.59 -0.05 0.00 0.00 175.22 172.62 1x1g s LYS 93 N -3.95 1.43 -0.25 1.99 0.00 0.19 -1.08 119.74 118.05 1x1g s LYS 93 Ca 0.16 -1.75 0.01 0.00 0.00 0.00 0.00 55.97 54.39 1x1g s LYS 93 Cb -0.01 -0.61 0.07 0.00 0.00 0.00 0.00 37.83 37.27 1x1g s LYS 93 CO 0.04 -0.15 -0.01 0.08 0.00 0.00 0.00 175.35 175.31 1x1g s VAL 94 N -3.45 1.43 -0.42 1.79 1.01 0.16 -1.87 120.40 119.06 1x1g s VAL 94 Ca 0.32 -1.32 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 1x1g s VAL 94 Cb 0.07 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1x1g s VAL 94 CO 0.11 -0.25 0.74 -0.63 0.00 0.00 0.00 175.10 175.06 1x1g s ILE 95 N 1.41 4.73 0.78 2.22 1.01 -0.85 0.31 121.20 130.82 1x1g s ILE 95 Ca -0.01 0.49 -0.12 0.00 0.00 0.00 0.00 60.65 61.01 1x1g s ILE 95 Cb -0.18 -4.24 0.18 0.00 0.01 0.00 0.00 42.46 38.22 1x1g s ILE 95 CO -0.09 -0.58 1.07 0.35 0.00 0.00 0.00 174.94 175.68 1x1g n THR 96 N 5.94 0.00 0.45 2.92 -2.24 -1.26 0.11 114.28 120.20 1x1g n THR 96 Ca 0.01 -0.88 0.06 0.00 -2.27 0.00 0.00 64.05 60.97 1x1g n THR 96 Cb 0.48 -1.51 0.28 0.00 -2.10 0.00 0.00 70.33 67.48 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 -3.23 0.02 -0.67 -0.78 2.85 -0.50 -1.00 118.16 114.85 1x1g n LYS 97 Ca 0.14 0.27 0.08 0.00 -1.05 0.00 0.00 58.31 57.75 1x1g n LYS 97 Cb 0.48 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.69 1x1g n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1x1g n ASP 98 N -1.48 4.82 -4.31 -5.58 -0.08 -1.26 -4.93 116.55 103.72 1x1g n ASP 98 Ca 0.03 -2.92 -0.36 0.00 -1.51 0.00 0.00 54.79 50.03 1x1g n ASP 98 Cb 0.15 -0.61 -0.05 0.00 2.34 0.00 0.00 41.12 42.94 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1x1g n ASP 99 N 0.16 -1.84 0.15 1.67 5.75 -0.17 -4.84 116.55 117.43 1x1g n ASP 99 Ca 0.25 -1.13 -0.10 0.00 -0.01 0.00 0.00 54.79 53.80 1x1g n ASP 99 Cb 1.03 -2.26 -0.06 0.00 -1.03 0.00 0.00 41.12 38.80 1x1g n ASP 99 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1x1g h THR 100 N -1.39 0.38 -3.17 2.12 2.02 -1.86 -3.46 112.91 107.55 1x1g h THR 100 Ca -0.61 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1x1g h THR 100 Cb 1.39 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1x1g h THR 100 CO 0.79 0.09 -0.07 1.41 0.37 0.00 0.00 175.52 178.11 1x1g n HIS 101 N -5.08 -0.30 -3.45 3.16 8.25 -1.13 -4.94 115.22 111.73 1x1g n HIS 101 Ca -0.08 0.13 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 1x1g n HIS 101 Cb 0.25 -1.70 -0.10 0.00 1.12 0.00 0.00 29.99 29.57 1x1g n HIS 101 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1x1g s TYR 102 N -0.26 3.22 -0.11 4.41 2.02 0.15 -4.77 117.35 122.01 1x1g s TYR 102 Ca 0.00 -0.09 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 1x1g s TYR 102 Cb -0.00 -2.60 -0.01 0.00 -0.40 0.00 0.00 41.96 38.95 1x1g s TYR 102 CO 0.06 -0.41 1.03 0.71 -1.57 0.00 0.00 175.55 175.37 1x1g s TYR 103 N 1.91 3.47 0.16 2.71 1.51 -1.26 0.40 117.35 126.25 1x1g s TYR 103 Ca 0.10 1.55 0.03 0.00 -1.01 0.00 0.00 57.07 57.74 1x1g s TYR 103 Cb -0.17 -3.22 -0.05 0.00 -0.11 0.00 0.00 41.96 38.42 1x1g s TYR 103 CO 0.11 -0.34 -0.05 0.42 -1.11 0.00 0.00 175.55 174.57 1x1g s ILE 104 N 2.10 0.93 0.12 2.71 1.01 -0.24 -2.30 121.20 125.53 1x1g s ILE 104 Ca 0.49 -2.01 0.10 0.00 0.00 0.00 0.00 60.65 59.22 1x1g s ILE 104 Cb -0.19 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1x1g s ILE 104 CO 0.18 -0.64 -0.24 -1.58 0.00 0.00 0.00 174.94 172.65 1x1g s GLN 105 N -3.82 1.28 0.29 2.79 0.74 -0.71 -2.85 119.66 117.37 1x1g s GLN 105 Ca 0.19 -1.27 0.06 0.00 0.05 0.00 0.00 55.36 54.39 1x1g s GLN 105 Cb 0.04 -1.67 -0.02 0.00 1.10 0.00 0.00 33.01 32.46 1x1g s GLN 105 CO 0.01 0.39 0.36 0.00 -0.55 0.00 0.00 175.29 175.51 1x1g s ALA 106 N -1.12 3.98 0.10 1.58 0.00 -1.26 -2.58 121.76 122.45 1x1g s ALA 106 Ca 0.11 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 1x1g s ALA 106 Cb -0.10 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 1x1g s ALA 106 CO 0.05 0.12 1.50 1.03 0.00 0.00 0.00 175.76 178.46 1x1g h SER 107 N 1.13 0.60 -4.05 0.00 0.87 -1.90 -3.46 113.55 106.75 1x1g h SER 107 Ca -0.48 -0.37 -0.37 0.00 -1.23 0.00 0.00 61.79 59.34 1x1g h SER 107 Cb 1.24 -0.16 -0.14 0.00 -0.44 0.00 0.00 62.40 62.90 1x1g h SER 107 CO 0.58 0.83 -0.64 -0.94 -0.53 0.00 0.00 176.83 176.13 1x1g s SER 108 N -6.20 1.64 0.40 6.23 1.04 -1.26 -4.99 113.70 110.56 1x1g s SER 108 Ca -0.13 -1.28 0.11 0.00 0.48 0.00 0.00 55.95 55.13 1x1g s SER 108 Cb 0.08 0.05 0.91 0.00 0.10 0.00 0.00 66.02 67.17 1x1g s SER 108 CO 0.78 -0.59 1.96 0.50 0.98 0.00 0.00 173.24 176.87 1x1g h LYS 109 N 2.43 0.53 0.01 4.02 3.64 -1.89 -1.81 116.57 123.50 1x1g h LYS 109 Ca -0.38 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1x1g h LYS 109 Cb 1.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1x1g h LYS 109 CO 0.64 0.35 -0.00 0.00 -2.27 0.00 0.00 179.45 178.17 1x1g h ALA 110 N 1.66 -0.01 -1.28 5.00 0.00 -1.96 -3.22 119.26 119.45 1x1g h ALA 110 Ca 0.30 -0.39 0.42 0.00 0.00 0.00 0.00 54.91 55.24 1x1g h ALA 110 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 1x1g h ALA 110 CO -0.10 -0.10 0.82 1.49 0.00 0.00 0.00 179.25 181.36 1x1g h GLU 111 N -0.81 0.10 0.00 0.00 4.57 -1.74 0.72 114.58 117.42 1x1g h GLU 111 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1x1g h GLU 111 Cb 0.79 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1x1g h GLU 111 CO 0.00 0.07 0.00 -2.13 -1.18 0.00 0.00 179.01 175.77 1x1g n ARG 112 N -4.73 0.00 -0.32 1.92 0.63 -0.79 0.10 116.66 113.47 1x1g n ARG 112 Ca 0.36 0.46 0.22 0.00 -0.92 0.00 0.00 57.85 57.97 1x1g n ARG 112 Cb 1.38 -1.43 0.43 0.00 0.45 0.00 0.00 32.46 33.30 1x1g n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x1g h ALA 113 N -2.00 1.77 0.62 5.13 0.00 -1.24 0.87 119.26 124.42 1x1g h ALA 113 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1x1g h ALA 113 Cb 0.00 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1x1g h ALA 113 CO 0.00 -0.60 -0.30 0.93 0.00 0.00 0.00 179.25 179.28 1x1g h GLU 114 N 0.23 -0.80 -0.84 0.00 5.08 -0.78 0.74 114.58 118.20 1x1g h GLU 114 Ca 0.70 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 59.28 1x1g h GLU 114 Cb 1.59 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.97 1x1g h GLU 114 CO -0.67 -0.49 0.56 -1.49 -1.00 0.00 0.00 179.01 175.92 1x1g h TRP 115 N -1.02 0.57 0.00 4.33 4.06 0.38 0.16 115.95 124.43 1x1g h TRP 115 Ca -0.09 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.88 1x1g h TRP 115 Cb 0.68 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1x1g h TRP 115 CO -0.00 0.19 0.00 -0.89 -3.56 0.00 0.00 178.44 174.17 1x1g n ILE 116 N -4.51 0.00 -0.24 1.49 5.41 0.27 -2.40 119.36 119.39 1x1g n ILE 116 Ca 0.17 0.65 0.12 0.00 1.00 0.00 0.00 62.75 64.69 1x1g n ILE 116 Cb 0.59 -1.31 0.23 0.00 -0.71 0.00 0.00 39.64 38.44 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 -1.04 -0.05 0.03 0.38 2.13 0.25 0.37 120.64 122.71 1x1g n GLU 117 Ca 0.00 1.04 -0.03 0.00 0.66 0.00 0.00 57.16 58.82 1x1g n GLU 117 Cb 0.00 -1.67 -0.02 0.00 0.27 0.00 0.00 31.44 30.02 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 1.40 -0.69 -0.84 4.31 0.00 -0.75 -0.25 119.26 122.43 1x1g h ALA 118 Ca 0.44 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.43 1x1g h ALA 118 Cb 0.96 0.48 -0.12 0.00 0.00 0.00 0.00 17.79 19.11 1x1g h ALA 118 CO -0.64 -0.71 -0.51 0.82 0.00 0.00 0.00 179.25 178.20 1x1g h ILE 119 N -0.16 0.02 -0.95 0.00 2.04 0.28 0.48 117.51 119.21 1x1g h ILE 119 Ca -0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1x1g h ILE 119 Cb 0.16 0.02 -0.16 0.00 -0.74 0.00 0.00 36.82 36.09 1x1g h ILE 119 CO -0.04 0.00 -0.34 0.11 0.00 0.00 0.00 178.15 177.88 1x1g h LYS 120 N -0.09 -0.01 -0.61 2.37 1.57 -0.89 0.37 116.57 119.27 1x1g h LYS 120 Ca 0.19 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 1x1g h LYS 120 Cb 0.50 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 1x1g h LYS 120 CO -0.86 -0.01 -0.57 0.87 -0.57 0.00 0.00 179.45 178.31 1x1g h LYS 121 N -0.01 -0.26 -0.15 3.15 1.57 0.18 0.11 116.57 121.16 1x1g h LYS 121 Ca 0.37 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.22 1x1g h LYS 121 Cb 0.63 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.93 1x1g h LYS 121 CO -0.96 -0.17 -0.33 -0.07 -0.57 0.00 0.00 179.45 177.34 1x1g h LEU 122 N -0.27 -1.04 -7.95 2.94 -0.00 0.01 -3.23 115.31 105.78 1x1g h LEU 122 Ca 0.10 0.15 -0.31 0.00 -0.00 0.00 0.00 57.88 57.82 1x1g h LEU 122 Cb 0.53 0.44 -0.03 0.00 -0.00 0.00 0.00 40.66 41.60 1x1g h LEU 122 CO -0.71 -0.37 1.01 0.35 -0.00 0.00 0.00 178.44 178.73 1x1g n THR 123 N -5.41 1.75 0.00 0.22 -2.24 0.09 -4.73 114.28 103.96 1x1g n THR 123 Ca -0.03 -1.82 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 1x1g n THR 123 Cb 0.33 -2.16 0.00 0.00 -2.10 0.00 0.00 70.33 66.40 1x1g n THR 123 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x1g n SER 124 N 14.73 0.00 0.00 3.42 2.88 -1.22 -4.82 113.62 128.61 1x1g n SER 124 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1x1g n SER 124 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.03 0.66 3.73 0.46 0.00 -1.26 -5.00 105.19 103.74 1x1g n GLY 125 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 1.65 4.54 0.19 1.61 0.04 -1.26 -5.04 135.00 136.72 1x1g s PRO 126 Ca 0.00 1.74 0.09 0.00 0.04 0.00 0.00 61.00 62.87 1x1g s PRO 126 Cb 0.00 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1x1g s PRO 126 CO 0.00 -0.03 -0.10 -1.12 0.04 0.00 0.00 177.00 175.79 1x1g s SER 127 N 0.26 4.21 -0.13 6.66 0.01 -1.26 -5.12 113.70 118.32 1x1g s SER 127 Ca 0.52 -0.60 -0.09 0.00 1.31 0.00 0.00 55.95 57.09 1x1g s SER 127 Cb -0.29 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 1x1g s SER 127 CO 0.33 0.10 0.18 -0.94 0.41 0.00 0.00 173.24 173.32 1x1g s SER 128 N -2.86 6.39 0.00 2.44 1.04 -1.26 -5.31 113.70 114.14 1x1g s SER 128 Ca 0.25 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1x1g s SER 128 Cb -0.09 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1x1g s SER 128 CO 0.15 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.30