#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1g n SER 2 N 0.00 -0.26 -4.48 1.61 7.64 -1.26 -5.04 113.62 111.84 1x1g n SER 2 Ca 0.00 0.46 -0.43 0.00 1.01 0.00 0.00 58.87 59.91 1x1g n SER 2 Cb 0.00 0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.60 1x1g n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x1g s SER 3 N -4.93 6.26 0.00 6.43 0.01 -1.26 -4.83 113.70 115.39 1x1g s SER 3 Ca 0.00 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1x1g s SER 3 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1x1g s SER 3 CO 0.00 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.37 1x1g n GLY 4 N 5.13 3.47 3.45 3.44 0.00 -1.26 -5.18 105.19 114.23 1x1g n GLY 4 Ca -0.04 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1x1g n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x1g s SER 5 N 0.00 -0.43 0.14 1.61 1.04 -1.26 -5.02 113.70 109.78 1x1g s SER 5 Ca 0.00 -0.19 -0.17 0.00 0.48 0.00 0.00 55.95 56.08 1x1g s SER 5 Cb 0.00 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1x1g s SER 5 CO 0.00 -0.99 0.44 -0.44 0.98 0.00 0.00 173.24 173.23 1x1g s SER 6 N -2.79 -0.26 0.00 7.02 0.01 -1.26 -5.14 113.70 111.28 1x1g s SER 6 Ca 0.03 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1x1g s SER 6 Cb -0.01 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1x1g s SER 6 CO -0.10 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.26 1x1g n GLY 7 N -0.26 1.15 0.98 3.44 0.00 -1.26 -5.06 105.19 104.18 1x1g n GLY 7 Ca -0.15 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.38 1x1g n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x1g n SER 8 N -0.17 0.62 -2.72 1.61 2.88 -1.26 -5.03 113.62 109.54 1x1g n SER 8 Ca 0.00 0.08 -0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1x1g n SER 8 Cb 0.00 -0.20 0.02 0.00 -0.75 0.00 0.00 64.21 63.29 1x1g n SER 8 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1x1g s LEU 9 N -6.55 -0.46 -0.30 2.46 2.96 -1.26 -5.14 118.68 110.39 1x1g s LEU 9 Ca -0.02 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.30 1x1g s LEU 9 Cb 0.00 0.60 0.16 0.00 0.50 0.00 0.00 46.19 47.45 1x1g s LEU 9 CO 0.02 -0.03 0.90 -0.44 -1.32 0.00 0.00 176.35 175.48 1x1g s SER 10 N 1.23 -0.74 0.32 3.68 0.01 -1.26 -5.17 113.70 111.77 1x1g s SER 10 Ca 0.22 0.95 0.08 0.00 1.31 0.00 0.00 55.95 58.51 1x1g s SER 10 Cb 0.09 1.81 -0.04 0.00 0.21 0.00 0.00 66.02 68.10 1x1g s SER 10 CO -0.11 -0.14 0.20 -0.89 0.41 0.00 0.00 173.24 172.71 1x1g s THR 11 N 2.60 3.44 0.00 1.44 2.01 -1.26 -5.04 115.64 118.83 1x1g s THR 11 Ca -0.02 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.43 1x1g s THR 11 Cb -0.08 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1x1g s THR 11 CO -0.18 -0.22 0.00 0.55 -0.69 0.00 0.00 174.62 174.09 1x1g n VAL 12 N -1.22 0.00 -0.22 3.82 3.14 -1.26 -4.74 118.33 117.85 1x1g n VAL 12 Ca -0.03 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.28 1x1g n VAL 12 Cb 0.60 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.41 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 0.87 -0.35 1.45 5.08 -1.96 -0.64 114.58 119.03 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 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1x1g h GLU 13 CO 0.00 0.70 0.00 1.28 -1.00 0.00 0.00 179.01 179.99 1x1g n LEU 14 N -4.52 1.62 -3.39 1.33 4.77 -1.26 -4.22 117.00 111.32 1x1g n LEU 14 Ca 0.04 -0.81 -0.36 0.00 -0.03 0.00 0.00 56.01 54.85 1x1g n LEU 14 Cb 0.12 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1x1g n LEU 14 CO 0.38 0.36 0.97 -0.24 -1.33 0.00 0.00 177.39 177.53 1x1g n SER 15 N 0.28 6.33 -4.01 -1.43 2.88 -0.25 -4.98 113.62 112.44 1x1g n SER 15 Ca 0.09 -3.69 -0.15 0.00 -1.33 0.00 0.00 58.87 53.79 1x1g n SER 15 Cb 0.28 -0.95 -0.10 0.00 -0.75 0.00 0.00 64.21 62.69 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 -2.11 1.74 0.33 0.46 0.00 -1.25 -3.83 107.32 102.66 1x1g s GLY 16 Ca 0.43 -1.80 -0.27 0.00 0.00 0.00 0.00 44.72 43.08 1x1g s GLY 16 CO -0.13 -1.46 1.03 -1.59 0.00 0.00 0.00 173.10 170.95 1x1g s THR 17 N -3.90 3.78 0.00 0.90 2.01 0.31 -4.59 115.64 114.15 1x1g s THR 17 Ca 0.39 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 63.64 1x1g s THR 17 Cb 0.06 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1x1g s THR 17 CO 0.16 0.19 1.13 -0.69 -0.69 0.00 0.00 174.62 174.73 1x1g s VAL 18 N -1.45 4.35 -0.11 3.82 1.01 -1.26 0.21 120.40 126.98 1x1g s VAL 18 Ca 0.50 1.68 -0.00 0.00 0.00 0.00 0.00 61.98 64.17 1x1g s VAL 18 Cb -0.25 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 1x1g s VAL 18 CO 0.31 0.09 -0.10 1.33 0.00 0.00 0.00 175.10 176.73 1x1g n VAL 19 N 4.15 0.63 -3.77 2.92 0.24 0.97 -4.88 118.33 118.59 1x1g n VAL 19 Ca 0.09 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 1x1g n VAL 19 Cb 0.48 -0.99 -0.11 0.00 -1.47 0.00 0.00 33.84 31.74 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 -2.22 0.35 -0.00 7.34 2.47 -1.10 -5.02 119.74 121.56 1x1g s LYS 20 Ca -0.15 0.40 -0.04 0.00 -1.56 0.00 0.00 55.97 54.62 1x1g s LYS 20 Cb 0.04 0.17 -0.00 0.00 -1.46 0.00 0.00 37.83 36.58 1x1g s LYS 20 CO 0.25 -0.04 0.08 -0.65 0.16 0.00 0.00 175.35 175.14 1x1g s GLN 21 N 0.13 0.35 0.00 4.03 -0.21 -1.26 0.14 119.66 122.84 1x1g s GLN 21 Ca -0.00 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.03 1x1g s GLN 21 Cb -0.02 0.14 0.00 0.00 1.00 0.00 0.00 33.01 34.13 1x1g s GLN 21 CO 0.00 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 1x1g n GLY 22 N 1.84 -1.33 3.30 3.09 0.00 -0.82 -5.03 105.19 106.23 1x1g n GLY 22 Ca -0.21 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 2.81 0.40 1.61 2.02 -1.26 -0.42 117.35 119.51 1x1g s TYR 23 Ca 0.00 -0.93 0.07 0.00 -0.37 0.00 0.00 57.07 55.84 1x1g s TYR 23 Cb 0.00 -1.90 -0.08 0.00 -0.40 0.00 0.00 41.96 39.58 1x1g s TYR 23 CO 0.00 -0.42 0.01 -0.51 -1.57 0.00 0.00 175.55 173.06 1x1g s LEU 24 N 0.78 2.79 -0.16 -1.29 1.43 0.25 -4.54 118.68 117.93 1x1g s LEU 24 Ca -0.05 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 1x1g s LEU 24 Cb -0.15 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1x1g s LEU 24 CO 0.01 -0.46 -0.16 0.00 0.23 0.00 0.00 176.35 175.97 1x1g s ALA 25 N -2.78 2.47 -0.13 4.21 0.00 -1.09 0.22 121.76 124.66 1x1g s ALA 25 Ca 0.35 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1x1g s ALA 25 Cb 0.09 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1x1g s ALA 25 CO 0.18 -0.06 0.20 0.15 0.00 0.00 0.00 175.76 176.23 1x1g s LYS 26 N 0.86 3.85 -0.11 0.00 -0.14 -0.41 -2.07 119.74 121.72 1x1g s LYS 26 Ca -0.05 -0.04 -0.09 0.00 -1.36 0.00 0.00 55.97 54.43 1x1g s LYS 26 Cb -0.15 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 1x1g s LYS 26 CO -0.01 0.55 0.20 -1.14 -0.76 0.00 0.00 175.35 174.19 1x1g s GLN 27 N -0.40 3.67 0.00 1.68 -0.44 -1.22 -2.74 119.66 120.20 1x1g s GLN 27 Ca 0.15 -0.02 0.00 0.00 -2.50 0.00 0.00 55.36 52.99 1x1g s GLN 27 Cb -0.13 -3.24 0.00 0.00 -1.64 0.00 0.00 33.01 28.01 1x1g s GLN 27 CO 0.04 0.67 0.00 0.41 0.50 0.00 0.00 175.29 176.91 1x1g n GLY 28 N 2.22 1.62 2.84 2.59 0.00 -1.25 -4.87 105.19 108.33 1x1g n GLY 28 Ca -0.18 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.11 2.36 0.04 1.61 -3.43 -1.26 -4.87 115.29 106.63 1x1g s HIS 29 Ca 0.00 -2.10 0.00 0.00 -0.80 0.00 0.00 55.06 52.16 1x1g s HIS 29 Cb 0.00 -2.05 0.00 0.00 -1.43 0.00 0.00 32.58 29.10 1x1g s HIS 29 CO 0.00 -0.88 0.00 1.17 -2.00 0.00 0.00 174.74 173.03 1x1g n LYS 30 N 4.66 0.00 -3.68 -0.38 0.00 -1.26 -5.12 118.16 112.38 1x1g n LYS 30 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.14 1x1g n LYS 30 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.30 1x1g n LYS 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1x1g s ARG 31 N -1.13 0.06 0.39 1.64 0.52 -1.26 -5.10 118.95 114.08 1x1g s ARG 31 Ca 0.00 0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1x1g s ARG 31 Cb 0.00 -0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.25 1x1g s ARG 31 CO 0.00 -0.27 0.00 1.17 0.02 0.00 0.00 175.30 176.22 1x1g n LYS 32 N 5.09 -2.64 0.33 3.54 4.81 -1.26 -4.69 118.16 123.35 1x1g n LYS 32 Ca -0.09 2.06 -0.13 0.00 -0.87 0.00 0.00 58.31 59.28 1x1g n LYS 32 Cb 0.50 -2.62 -0.06 0.00 0.02 0.00 0.00 35.03 32.87 1x1g n LYS 32 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1x1g h ASN 33 N -0.02 -0.73 -3.16 3.14 2.35 -1.96 -3.43 115.58 111.77 1x1g h ASN 33 Ca -0.02 0.03 -0.67 0.00 -0.55 0.00 0.00 56.30 55.09 1x1g h ASN 33 Cb 0.67 0.19 -0.34 0.00 0.05 0.00 0.00 38.32 38.89 1x1g h ASN 33 CO 0.01 -0.45 -0.85 0.26 -1.65 0.00 0.00 177.43 174.74 1x1g s TRP 34 N -4.60 2.74 -0.16 1.19 0.52 -1.26 -3.89 118.94 113.48 1x1g s TRP 34 Ca -0.13 -1.41 -0.05 0.00 0.02 0.00 0.00 56.10 54.54 1x1g s TRP 34 Cb 0.01 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 1x1g s TRP 34 CO 0.38 -0.67 -0.01 0.15 0.02 0.00 0.00 176.95 176.81 1x1g s LYS 35 N 1.04 3.75 0.38 4.98 1.02 -1.11 -4.95 119.74 124.86 1x1g s LYS 35 Ca -0.01 -0.47 -0.25 0.00 0.02 0.00 0.00 55.97 55.25 1x1g s LYS 35 Cb -0.14 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.08 1x1g s LYS 35 CO -0.06 0.25 1.10 0.08 -0.92 0.00 0.00 175.35 175.79 1x1g s VAL 36 N 0.37 3.49 0.18 3.17 1.01 -1.26 -1.28 120.40 126.08 1x1g s VAL 36 Ca -0.02 1.22 -0.13 0.00 0.00 0.00 0.00 61.98 63.06 1x1g s VAL 36 Cb -0.14 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1x1g s VAL 36 CO 0.02 0.09 0.39 -0.60 0.00 0.00 0.00 175.10 174.99 1x1g s ARG 37 N -2.29 1.25 -0.48 2.72 3.52 0.60 -4.73 118.95 119.53 1x1g s ARG 37 Ca 0.56 -1.03 -0.16 0.00 -0.13 0.00 0.00 55.73 54.96 1x1g s ARG 37 Cb -0.26 0.44 0.07 0.00 -1.56 0.00 0.00 34.95 33.64 1x1g s ARG 37 CO 0.33 -0.49 0.45 0.50 -0.81 0.00 0.00 175.30 175.28 1x1g s ARG 38 N -3.92 3.01 -0.10 5.12 3.52 0.53 0.85 118.95 127.96 1x1g s ARG 38 Ca 0.13 -1.26 -0.12 0.00 -0.13 0.00 0.00 55.73 54.36 1x1g s ARG 38 Cb 0.01 -4.13 -0.05 0.00 -1.56 0.00 0.00 34.95 29.23 1x1g s ARG 38 CO -0.01 -1.08 0.27 -0.06 -0.81 0.00 0.00 175.30 173.61 1x1g s PHE 39 N 1.86 3.59 -0.01 5.12 0.40 0.44 0.94 117.98 130.32 1x1g s PHE 39 Ca 0.06 0.69 0.07 0.00 -0.60 0.00 0.00 56.93 57.15 1x1g s PHE 39 Cb -0.23 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1x1g s PHE 39 CO 0.08 0.52 -0.23 0.54 0.70 0.00 0.00 175.22 176.83 1x1g s VAL 40 N -0.48 1.79 -0.21 -0.44 0.11 0.38 -1.95 120.40 119.59 1x1g s VAL 40 Ca 0.18 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.22 1x1g s VAL 40 Cb -0.14 -1.49 0.02 0.00 -1.53 0.00 0.00 36.38 33.24 1x1g s VAL 40 CO 0.07 0.48 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.97 1x1g s LEU 41 N -0.60 2.64 0.10 2.54 0.20 0.37 -1.64 118.68 122.28 1x1g s LEU 41 Ca 0.09 -0.68 0.09 0.00 0.69 0.00 0.00 54.13 54.32 1x1g s LEU 41 Cb -0.09 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1x1g s LEU 41 CO -0.01 -0.05 -0.24 -0.13 -0.29 0.00 0.00 176.35 175.64 1x1g s ARG 42 N 1.33 1.36 0.17 1.98 0.52 -0.61 -0.02 118.95 123.68 1x1g s ARG 42 Ca 0.03 -1.22 0.10 0.00 -0.52 0.00 0.00 55.73 54.12 1x1g s ARG 42 Cb -0.15 -1.70 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 1x1g s ARG 42 CO -0.08 0.41 -0.21 -1.59 0.02 0.00 0.00 175.30 173.85 1x1g s LYS 43 N -1.82 1.37 -0.50 3.54 0.00 0.58 -1.49 119.74 121.43 1x1g s LYS 43 Ca 0.11 -1.45 -0.30 0.00 0.00 0.00 0.00 55.97 54.33 1x1g s LYS 43 Cb -0.10 -1.55 0.04 0.00 0.00 0.00 0.00 37.83 36.22 1x1g s LYS 43 CO 0.04 0.33 0.65 -3.47 0.00 0.00 0.00 175.35 172.90 1x1g n ASP 44 N 0.31 -5.89 -4.79 0.03 2.03 -1.26 0.11 116.55 107.09 1x1g n ASP 44 Ca -0.13 -0.13 -0.29 0.00 0.52 0.00 0.00 54.79 54.76 1x1g n ASP 44 Cb 0.56 -2.37 0.13 0.00 -0.72 0.00 0.00 41.12 38.73 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 -2.78 1.19 -0.56 -0.67 0.04 -1.25 -3.71 135.00 127.26 1x1g s PRO 45 Ca 0.31 0.31 -0.20 0.00 0.04 0.00 0.00 61.00 61.46 1x1g s PRO 45 Cb -0.04 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.73 1x1g s PRO 45 CO 0.86 -2.17 0.73 0.00 0.04 0.00 0.00 177.00 176.47 1x1g s ALA 46 N -3.27 3.33 0.19 8.56 0.00 -1.26 -4.67 121.76 124.63 1x1g s ALA 46 Ca 0.64 -1.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 1x1g s ALA 46 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1x1g s ALA 46 CO 0.53 -2.28 0.38 -0.06 0.00 0.00 0.00 175.76 174.33 1x1g s PHE 47 N 2.98 0.28 -0.14 0.00 0.40 -0.55 -3.52 117.98 117.43 1x1g s PHE 47 Ca 0.16 -0.64 -0.04 0.00 -0.60 0.00 0.00 56.93 55.81 1x1g s PHE 47 Cb -0.20 0.09 0.06 0.00 0.51 0.00 0.00 43.02 43.48 1x1g s PHE 47 CO 0.10 -0.82 0.13 -1.17 0.70 0.00 0.00 175.22 174.17 1x1g s LEU 48 N -2.96 0.13 0.37 -0.37 2.96 -1.19 -1.58 118.68 116.03 1x1g s LEU 48 Ca 0.17 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1x1g s LEU 48 Cb 0.02 0.02 -0.06 0.00 0.50 0.00 0.00 46.19 46.66 1x1g s LEU 48 CO 0.01 -0.31 0.01 -1.00 -1.32 0.00 0.00 176.35 173.75 1x1g s HIS 49 N 2.22 2.52 -0.00 5.38 3.76 -0.65 -2.42 115.29 126.10 1x1g s HIS 49 Ca 0.04 -0.52 -0.12 0.00 -0.15 0.00 0.00 55.06 54.30 1x1g s HIS 49 Cb -0.15 -1.60 0.01 0.00 1.11 0.00 0.00 32.58 31.96 1x1g s HIS 49 CO -0.08 0.45 0.25 1.52 -0.85 0.00 0.00 174.74 176.03 1x1g s TYR 50 N -2.59 -0.09 0.13 1.40 1.13 -1.26 0.15 117.35 116.21 1x1g s TYR 50 Ca 0.35 0.08 0.07 0.00 -1.41 0.00 0.00 57.07 56.16 1x1g s TYR 50 Cb 0.03 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1x1g s TYR 50 CO 0.19 -0.37 -0.16 0.71 -2.51 0.00 0.00 175.55 173.41 1x1g s TYR 51 N -1.52 1.57 -0.15 -3.49 1.51 0.27 0.89 117.35 116.44 1x1g s TYR 51 Ca -0.13 -0.50 -0.26 0.00 -1.01 0.00 0.00 57.07 55.17 1x1g s TYR 51 Cb -0.05 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1x1g s TYR 51 CO 0.02 0.20 0.88 0.34 -1.11 0.00 0.00 175.55 175.88 1x1g s ASP 52 N -2.36 7.04 0.06 2.29 2.15 -1.26 -0.34 116.67 124.25 1x1g s ASP 52 Ca 0.09 1.28 0.23 0.00 0.43 0.00 0.00 52.55 54.58 1x1g s ASP 52 Cb -0.06 -2.48 0.92 0.00 -0.30 0.00 0.00 42.92 41.00 1x1g s ASP 52 CO 0.04 -0.40 1.71 -0.81 -0.17 0.00 0.00 175.17 175.54 1x1g n PRO 53 N 5.09 0.06 0.03 4.34 -0.04 -1.26 -2.71 135.00 140.51 1x1g n PRO 53 Ca 0.05 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 1x1g n PRO 53 Cb 0.49 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 1x1g n PRO 53 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x1g h SER 54 N 0.00 0.19 -3.03 3.54 0.02 -1.92 -3.47 113.55 108.88 1x1g h SER 54 Ca 0.00 -0.31 -0.46 0.00 -0.84 0.00 0.00 61.79 60.19 1x1g h SER 54 Cb 0.42 -0.06 0.09 0.00 0.14 0.00 0.00 62.40 62.98 1x1g h SER 54 CO 0.00 1.26 0.17 -0.54 -1.14 0.00 0.00 176.83 176.58 1x1g s LYS 55 N -2.62 1.87 -0.41 3.45 1.02 -1.10 -5.08 119.74 116.87 1x1g s LYS 55 Ca -0.07 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.30 1x1g s LYS 55 Cb 0.08 -2.24 0.17 0.00 -0.52 0.00 0.00 37.83 35.32 1x1g s LYS 55 CO 0.83 -1.37 0.42 -1.21 -0.92 0.00 0.00 175.35 173.10 1x1g s GLU 56 N -5.21 0.81 -0.02 1.68 2.02 -1.26 -4.88 118.70 111.83 1x1g s GLU 56 Ca 0.64 -1.34 -0.21 0.00 0.02 0.00 0.00 54.97 54.07 1x1g s GLU 56 Cb -0.08 -0.85 0.04 0.00 0.10 0.00 0.00 34.13 33.34 1x1g s GLU 56 CO 0.45 -1.29 0.46 -2.00 0.02 0.00 0.00 175.26 172.90 1x1g s GLU 57 N 0.85 0.85 -1.15 1.61 2.12 -1.26 -5.06 118.70 116.65 1x1g s GLU 57 Ca 0.25 -0.03 -0.19 0.00 0.36 0.00 0.00 54.97 55.36 1x1g s GLU 57 Cb -0.07 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 1x1g s GLU 57 CO -0.08 -0.25 2.00 0.09 -0.54 0.00 0.00 175.26 176.47 1x1g n ASN 58 N 1.05 3.46 -3.65 -1.70 3.02 -1.26 -4.73 115.26 111.46 1x1g n ASN 58 Ca -0.20 -2.78 -0.00 0.00 -0.03 0.00 0.00 54.58 51.57 1x1g n ASN 58 Cb 0.57 -1.50 -0.07 0.00 -0.61 0.00 0.00 39.78 38.17 1x1g n ASN 58 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1x1g s ARG 59 N 4.50 0.03 0.81 3.52 6.06 -1.26 -5.17 118.95 127.43 1x1g s ARG 59 Ca 0.55 0.04 -0.12 0.00 -2.50 0.00 0.00 55.73 53.71 1x1g s ARG 59 Cb 0.10 0.01 0.08 0.00 0.06 0.00 0.00 34.95 35.20 1x1g s ARG 59 CO 0.05 -0.00 1.10 -1.25 -2.50 0.00 0.00 175.30 172.69 1x1g s PRO 60 N 0.43 1.97 0.41 5.12 0.04 -1.26 -4.78 135.00 136.93 1x1g s PRO 60 Ca 0.01 0.60 0.26 0.00 0.04 0.00 0.00 61.00 61.91 1x1g s PRO 60 Cb -0.04 -1.91 0.68 0.00 0.04 0.00 0.00 34.50 33.27 1x1g s PRO 60 CO -0.13 -1.69 1.72 0.28 0.04 0.00 0.00 177.00 177.22 1x1g h VAL 61 N -1.14 0.00 0.00 -0.36 2.07 0.18 -3.48 116.25 113.53 1x1g h VAL 61 Ca -0.47 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1x1g h VAL 61 Cb 1.28 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1x1g h VAL 61 CO 0.60 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.80 1x1g n GLY 62 N 0.85 -0.50 0.00 2.17 0.00 -1.21 -5.05 105.19 101.44 1x1g n GLY 62 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 4.01 3.49 -0.02 0.00 -1.26 -4.29 105.19 107.12 1x1g n GLY 63 Ca 0.00 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.01 2.45 0.14 1.61 -0.71 -1.01 -4.96 117.98 115.49 1x1g s PHE 64 Ca 0.00 -0.30 -0.30 0.00 -1.04 0.00 0.00 56.93 55.29 1x1g s PHE 64 Cb 0.00 -1.21 -0.07 0.00 -1.21 0.00 0.00 43.02 40.54 1x1g s PHE 64 CO 0.00 0.50 1.03 0.45 -1.34 0.00 0.00 175.22 175.86 1x1g s SER 65 N -2.72 7.39 -0.02 1.98 0.15 -1.26 -3.20 113.70 116.02 1x1g s SER 65 Ca 0.22 1.94 -0.18 0.00 0.70 0.00 0.00 55.95 58.63 1x1g s SER 65 Cb -0.08 -2.60 -0.33 0.00 -1.71 0.00 0.00 66.02 61.30 1x1g s SER 65 CO 0.12 -0.14 0.91 -0.07 1.20 0.00 0.00 173.24 175.26 1x1g h LEU 66 N 5.35 0.65 -8.14 3.45 3.38 -1.92 -3.42 115.31 114.66 1x1g h LEU 66 Ca -0.44 -0.93 -0.43 0.00 0.09 0.00 0.00 57.88 56.17 1x1g h LEU 66 Cb 1.21 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1x1g h LEU 66 CO 0.72 1.58 1.67 0.54 0.09 0.00 0.00 178.44 183.04 1x1g n ARG 67 N -3.90 0.24 -0.04 1.13 5.12 -1.26 0.19 116.66 118.14 1x1g n ARG 67 Ca -0.16 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 1x1g n ARG 67 Cb 0.97 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 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 6.23 1.96 2.62 -0.13 0.00 -1.26 -4.90 105.19 109.71 1x1g n GLY 68 Ca 0.59 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 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 0.04 2.80 -3.74 1.61 7.64 0.52 0.53 113.62 123.02 1x1g n SER 69 Ca 0.00 -2.52 -0.10 0.00 1.01 0.00 0.00 58.87 57.26 1x1g n SER 69 Cb 0.01 0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.62 -0.08 -3.43 1.98 0.57 -4.71 118.68 113.63 1x1g s LEU 70 Ca 0.06 -0.49 -0.14 0.00 -2.89 0.00 0.00 54.13 50.67 1x1g s LEU 70 Cb -0.00 1.65 0.03 0.00 0.66 0.00 0.00 46.19 48.52 1x1g s LEU 70 CO 0.04 -0.87 0.34 0.54 -1.89 0.00 0.00 176.35 174.50 1x1g s VAL 71 N -3.85 0.02 0.17 1.68 0.11 -1.26 -0.50 120.40 116.77 1x1g s VAL 71 Ca 0.07 -0.20 -0.23 0.00 -2.93 0.00 0.00 61.98 58.68 1x1g s VAL 71 Cb 0.02 -0.56 0.07 0.00 -1.53 0.00 0.00 36.38 34.38 1x1g s VAL 71 CO -0.08 -0.11 0.62 -0.44 -3.33 0.00 0.00 175.10 171.76 1x1g s SER 72 N -0.49 -0.53 0.04 3.54 0.01 -0.28 -4.97 113.70 111.03 1x1g s SER 72 Ca -0.06 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.02 1x1g s SER 72 Cb -0.04 0.61 -0.06 0.00 0.21 0.00 0.00 66.02 66.75 1x1g s SER 72 CO 0.02 -1.00 0.39 0.00 0.41 0.00 0.00 173.24 173.06 1x1g s ALA 73 N -3.75 3.73 -0.68 1.44 0.00 -1.26 -0.14 121.76 121.10 1x1g s ALA 73 Ca 0.02 -0.34 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 1x1g s ALA 73 Cb -0.02 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.84 1x1g s ALA 73 CO -0.11 0.54 1.24 -0.51 0.00 0.00 0.00 175.76 176.92 1x1g s LEU 74 N -1.55 3.31 -0.77 0.00 1.43 0.57 -4.88 118.68 116.78 1x1g s LEU 74 Ca 0.28 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1x1g s LEU 74 Cb -0.15 -2.78 0.36 0.00 0.03 0.00 0.00 46.19 43.66 1x1g s LEU 74 CO 0.15 -1.69 1.72 -1.84 0.23 0.00 0.00 176.35 174.92 1x1g n GLU 75 N 8.98 3.39 -3.87 1.70 0.28 -1.26 -4.53 120.64 125.32 1x1g n GLU 75 Ca 0.05 -4.02 -0.30 0.00 -0.16 0.00 0.00 57.16 52.72 1x1g n GLU 75 Cb 0.49 -2.30 -0.15 0.00 1.43 0.00 0.00 31.44 30.91 1x1g n GLU 75 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1x1g s ASP 76 N -1.83 4.25 -0.90 -1.84 1.11 -1.26 -5.04 116.67 111.16 1x1g s ASP 76 Ca 0.49 -1.74 -0.26 0.00 0.18 0.00 0.00 52.55 51.23 1x1g s ASP 76 Cb 0.38 -1.19 -0.18 0.00 1.07 0.00 0.00 42.92 43.00 1x1g s ASP 76 CO -0.30 -0.37 2.28 0.59 1.18 0.00 0.00 175.17 178.54 1x1g n ASN 77 N 4.60 1.50 0.00 0.27 4.13 -1.26 -4.61 115.26 119.90 1x1g n ASN 77 Ca -0.02 -1.87 0.00 0.00 1.68 0.00 0.00 54.58 54.38 1x1g n ASN 77 Cb 0.42 -1.66 0.00 0.00 -1.54 0.00 0.00 39.78 37.01 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 6.49 3.94 3.76 7.41 0.00 -1.26 -5.13 105.19 120.40 1x1g n GLY 78 Ca 0.44 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1x1g n GLY 78 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x1g s VAL 79 N -1.60 2.07 1.02 1.61 -7.23 -1.26 -4.84 120.40 110.17 1x1g s VAL 79 Ca 0.00 0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 60.07 1x1g s VAL 79 Cb 0.00 -3.03 0.21 0.00 0.56 0.00 0.00 36.38 34.12 1x1g s VAL 79 CO 0.00 0.00 1.19 -2.16 -0.31 0.00 0.00 175.10 173.83 1x1g s PRO 80 N -2.63 0.21 0.08 4.82 0.04 -1.26 -4.91 135.00 131.34 1x1g s PRO 80 Ca 0.65 -0.06 -0.37 0.00 0.04 0.00 0.00 61.00 61.26 1x1g s PRO 80 Cb -0.42 -1.76 -0.18 0.00 0.04 0.00 0.00 34.50 32.18 1x1g s PRO 80 CO 0.53 -2.76 1.22 2.41 0.04 0.00 0.00 177.00 178.44 1x1g n THR 81 N -4.09 0.17 0.00 1.26 -1.04 -1.26 -4.08 114.28 105.24 1x1g n THR 81 Ca 0.12 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1x1g n THR 81 Cb 0.59 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 2.15 0.35 3.09 3.41 0.00 -1.26 -4.80 105.19 108.13 1x1g n GLY 82 Ca 0.18 0.34 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 1x1g n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x1g n VAL 83 N 0.00 -2.53 -0.23 1.61 0.31 -1.26 -4.53 118.33 111.70 1x1g n VAL 83 Ca 0.00 0.29 0.02 0.00 -0.01 0.00 0.00 64.34 64.64 1x1g n VAL 83 Cb 0.00 -2.92 0.11 0.00 -0.91 0.00 0.00 33.84 30.12 1x1g n VAL 83 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1x1g h LYS 84 N 2.74 0.08 0.00 5.55 1.57 -1.93 1.46 116.57 126.04 1x1g h LYS 84 Ca -0.22 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1x1g h LYS 84 Cb 1.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1x1g h LYS 84 CO 0.09 0.05 0.32 0.78 -0.57 0.00 0.00 179.45 180.12 1x1g h GLY 85 N 0.08 0.00 -7.03 3.86 0.00 -1.86 -3.45 103.07 94.68 1x1g h GLY 85 Ca 0.36 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.07 1x1g h GLY 85 CO -0.62 0.00 -0.98 0.70 0.00 0.00 0.00 176.54 175.63 1x1g n ASN 86 N -2.77 -0.88 -4.89 0.19 4.13 0.50 -4.90 115.26 106.64 1x1g n ASN 86 Ca -0.02 -1.28 -0.32 0.00 1.68 0.00 0.00 54.58 54.64 1x1g n ASN 86 Cb 0.36 -1.65 -0.05 0.00 -1.54 0.00 0.00 39.78 36.91 1x1g n ASN 86 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1x1g s VAL 87 N -4.07 5.15 0.00 2.41 0.11 -1.26 -4.84 120.40 117.89 1x1g s VAL 87 Ca 0.18 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1x1g s VAL 87 Cb -0.10 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1x1g s VAL 87 CO 0.99 0.08 0.00 0.00 -3.33 0.00 0.00 175.10 172.84 1x1g n GLN 88 N 0.23 0.00 0.00 1.54 10.64 -1.26 -4.15 117.38 124.37 1x1g n GLN 88 Ca -0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 1x1g n GLN 88 Cb 0.52 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.90 1x1g n GLN 88 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1x1g n GLY 89 N 0.94 0.51 0.88 2.61 0.00 -1.26 -2.00 105.19 106.87 1x1g n GLY 89 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 46.02 46.37 1x1g n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x1g n ASN 90 N 1.82 -0.77 -3.18 1.61 5.15 -1.26 -4.99 115.26 113.64 1x1g n ASN 90 Ca 0.00 -1.57 -0.09 0.00 -0.60 0.00 0.00 54.58 52.32 1x1g n ASN 90 Cb 0.00 0.23 0.09 0.00 -0.53 0.00 0.00 39.78 39.57 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1x1g n LEU 91 N 0.00 0.00 -4.08 1.20 4.32 -0.85 -4.39 117.00 113.20 1x1g n LEU 91 Ca -0.21 -0.25 -0.09 0.00 -0.02 0.00 0.00 56.01 55.43 1x1g n LEU 91 Cb 0.60 -0.37 -0.09 0.00 -1.62 0.00 0.00 43.42 41.94 1x1g n LEU 91 CO -0.11 -1.87 -0.23 0.72 -1.22 0.00 0.00 177.39 174.68 1x1g s PHE 92 N -1.28 0.68 0.27 -1.77 -0.12 -1.22 -0.32 117.98 114.23 1x1g s PHE 92 Ca 0.19 -1.07 0.04 0.00 -0.05 0.00 0.00 56.93 56.04 1x1g s PHE 92 Cb -0.03 -0.35 -0.06 0.00 -0.63 0.00 0.00 43.02 41.95 1x1g s PHE 92 CO 0.16 -0.55 0.03 -1.59 -0.05 0.00 0.00 175.22 173.22 1x1g s LYS 93 N -4.01 1.47 -0.07 1.99 0.00 0.80 -2.20 119.74 117.73 1x1g s LYS 93 Ca 0.20 -1.78 -0.01 0.00 0.00 0.00 0.00 55.97 54.38 1x1g s LYS 93 Cb 0.06 -0.70 0.03 0.00 0.00 0.00 0.00 37.83 37.22 1x1g s LYS 93 CO -0.01 -0.14 -0.00 0.08 0.00 0.00 0.00 175.35 175.28 1x1g s VAL 94 N -3.39 0.38 -0.29 1.79 1.01 0.07 -1.13 120.40 118.85 1x1g s VAL 94 Ca 0.33 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 1x1g s VAL 94 Cb 0.07 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 1x1g s VAL 94 CO 0.12 0.26 0.20 -0.63 0.00 0.00 0.00 175.10 175.04 1x1g s ILE 95 N 1.88 5.31 0.82 2.22 1.01 0.34 -0.82 121.20 131.96 1x1g s ILE 95 Ca 0.04 0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 1x1g s ILE 95 Cb -0.12 -3.55 0.19 0.00 0.01 0.00 0.00 42.46 38.99 1x1g s ILE 95 CO -0.05 0.22 0.98 0.35 0.00 0.00 0.00 174.94 176.45 1x1g n THR 96 N 5.06 0.00 -0.24 2.92 -2.24 -0.93 0.21 114.28 119.07 1x1g n THR 96 Ca -0.14 -0.65 -0.06 0.00 -2.27 0.00 0.00 64.05 60.93 1x1g n THR 96 Cb 0.52 -1.49 0.04 0.00 -2.10 0.00 0.00 70.33 67.30 1x1g n THR 96 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1x1g h LYS 97 N 0.00 0.93 0.07 -0.78 2.10 -0.26 -2.71 116.57 115.92 1x1g h LYS 97 Ca -0.33 -0.11 0.01 0.00 -2.00 0.00 0.00 60.65 58.22 1x1g h LYS 97 Cb 0.94 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1x1g h LYS 97 CO 0.23 0.70 -0.09 0.22 -2.00 0.00 0.00 179.45 178.50 1x1g h ASP 98 N 0.91 -0.25 0.00 7.07 3.58 -1.93 -3.47 116.42 122.33 1x1g h ASP 98 Ca 0.23 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1x1g h ASP 98 Cb 0.05 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1x1g h ASP 98 CO -0.04 -0.14 0.00 -0.67 -2.88 0.00 0.00 179.24 175.51 1x1g n ASP 99 N -5.21 0.00 -4.33 2.28 -0.08 -1.02 -5.13 116.55 103.06 1x1g n ASP 99 Ca -0.07 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.81 1x1g n ASP 99 Cb 0.14 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.61 1x1g n ASP 99 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1x1g n THR 100 N 0.00 0.81 -3.98 5.18 -1.04 -1.26 -4.52 114.28 109.47 1x1g n THR 100 Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 1x1g n THR 100 Cb 0.00 -0.18 -0.14 0.00 -1.82 0.00 0.00 70.33 68.18 1x1g n THR 100 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1x1g s HIS 101 N -1.78 3.14 -0.37 -1.42 3.76 -1.26 -2.18 115.29 115.18 1x1g s HIS 101 Ca 0.60 -1.82 -0.12 0.00 -0.15 0.00 0.00 55.06 53.57 1x1g s HIS 101 Cb -0.55 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.12 1x1g s HIS 101 CO 0.62 -0.79 0.24 0.71 -0.85 0.00 0.00 174.74 174.67 1x1g s TYR 102 N 1.25 3.23 -0.20 1.40 1.51 -0.00 -4.91 117.35 119.64 1x1g s TYR 102 Ca -0.03 -0.68 -0.20 0.00 -1.01 0.00 0.00 57.07 55.15 1x1g s TYR 102 Cb -0.18 -2.48 -0.03 0.00 -0.11 0.00 0.00 41.96 39.16 1x1g s TYR 102 CO -0.04 -0.56 0.60 0.71 -1.11 0.00 0.00 175.55 175.14 1x1g s TYR 103 N 1.63 3.37 0.24 2.71 1.51 -1.26 -0.75 117.35 124.79 1x1g s TYR 103 Ca 0.04 0.88 0.04 0.00 -1.01 0.00 0.00 57.07 57.02 1x1g s TYR 103 Cb -0.19 -2.77 -0.05 0.00 -0.11 0.00 0.00 41.96 38.85 1x1g s TYR 103 CO 0.08 -0.16 -0.02 0.42 -1.11 0.00 0.00 175.55 174.76 1x1g s ILE 104 N 1.86 1.18 -0.04 2.71 1.01 -0.93 -3.46 121.20 123.53 1x1g s ILE 104 Ca 0.27 -2.05 0.04 0.00 0.00 0.00 0.00 60.65 58.91 1x1g s ILE 104 Cb -0.16 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 1x1g s ILE 104 CO 0.10 -0.34 -0.15 -1.58 0.00 0.00 0.00 174.94 172.97 1x1g s GLN 105 N -3.83 1.53 0.72 2.79 0.74 -0.88 -3.39 119.66 117.34 1x1g s GLN 105 Ca 0.28 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 55.17 1x1g s GLN 105 Cb 0.05 -1.36 0.14 0.00 1.10 0.00 0.00 33.01 32.94 1x1g s GLN 105 CO 0.09 0.22 0.99 0.00 -0.55 0.00 0.00 175.29 176.04 1x1g n ALA 106 N 3.13 0.28 -0.01 1.58 0.00 -1.26 -2.67 120.51 121.56 1x1g n ALA 106 Ca -0.18 -1.98 -0.09 0.00 0.00 0.00 0.00 53.44 51.20 1x1g n ALA 106 Cb 0.53 0.34 -0.14 0.00 0.00 0.00 0.00 19.45 20.19 1x1g n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x1g h SER 107 N -0.54 0.01 -5.08 0.00 0.87 -1.91 -3.47 113.55 103.43 1x1g h SER 107 Ca -0.33 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.16 1x1g h SER 107 Cb 1.23 -0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.05 1x1g h SER 107 CO 0.36 1.01 -0.12 -0.44 -0.53 0.00 0.00 176.83 177.11 1x1g s SER 108 N -6.16 -0.20 0.26 6.23 0.01 -1.26 -4.98 113.70 107.59 1x1g s SER 108 Ca -0.04 -0.28 -0.04 0.00 1.31 0.00 0.00 55.95 56.90 1x1g s SER 108 Cb 0.08 0.44 0.51 0.00 0.21 0.00 0.00 66.02 67.27 1x1g s SER 108 CO 0.82 -0.79 1.65 0.50 0.41 0.00 0.00 173.24 175.84 1x1g h LYS 109 N 2.59 0.17 -0.45 12.44 3.64 -1.96 0.47 116.57 133.47 1x1g h LYS 109 Ca -0.33 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 1x1g h LYS 109 Cb 1.24 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1x1g h LYS 109 CO 0.47 0.11 0.15 0.00 -2.27 0.00 0.00 179.45 177.91 1x1g h ALA 110 N 1.70 0.58 -1.02 5.00 0.00 -2.01 -2.46 119.26 121.06 1x1g h ALA 110 Ca 0.45 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.46 1x1g h ALA 110 Cb 0.82 -0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.31 1x1g h ALA 110 CO -0.62 0.23 0.60 1.49 0.00 0.00 0.00 179.25 180.95 1x1g h GLU 111 N 0.58 0.47 0.00 0.00 4.57 -0.49 -1.32 114.58 118.39 1x1g h GLU 111 Ca 0.14 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1x1g h GLU 111 Cb 0.25 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1x1g h GLU 111 CO -0.01 0.31 0.00 0.54 -1.18 0.00 0.00 179.01 178.67 1x1g n ARG 112 N -4.90 0.00 -0.27 1.92 1.74 -0.59 0.03 116.66 114.59 1x1g n ARG 112 Ca 0.28 0.25 0.06 0.00 -0.77 0.00 0.00 57.85 57.68 1x1g n ARG 112 Cb 0.84 -1.19 0.14 0.00 -1.02 0.00 0.00 32.46 31.22 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 -1.16 0.24 0.07 7.54 0.00 -1.00 0.29 120.51 126.48 1x1g n ALA 113 Ca 0.00 0.84 -0.11 0.00 0.00 0.00 0.00 53.44 54.17 1x1g n ALA 113 Cb 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.29 -0.53 0.00 4.39 -1.09 1.58 114.58 118.63 1x1g h GLU 114 Ca 0.39 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 60.04 1x1g h GLU 114 Cb 0.66 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1x1g h GLU 114 CO -0.77 -0.20 0.03 -1.49 -1.16 0.00 0.00 179.01 175.42 1x1g h TRP 115 N -0.31 0.99 0.00 4.33 4.06 0.62 -0.82 115.95 124.83 1x1g h TRP 115 Ca 0.05 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 60.84 1x1g h TRP 115 Cb 0.37 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1x1g h TRP 115 CO -0.22 0.91 0.00 -0.89 -3.56 0.00 0.00 178.44 174.68 1x1g n ILE 116 N -4.31 0.00 -0.32 1.49 5.41 0.82 -1.27 119.36 121.18 1x1g n ILE 116 Ca 0.02 1.08 0.03 0.00 1.00 0.00 0.00 62.75 64.88 1x1g n ILE 116 Cb 0.30 -2.04 0.09 0.00 -0.71 0.00 0.00 39.64 37.28 1x1g n ILE 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x1g n GLU 117 N -0.92 -0.13 -0.15 0.38 2.13 0.53 0.14 120.64 122.62 1x1g n GLU 117 Ca 0.00 1.34 -0.06 0.00 0.66 0.00 0.00 57.16 59.10 1x1g n GLU 117 Cb 0.00 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 29.71 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 1.51 -0.05 0.16 4.31 0.00 -1.14 0.53 119.26 124.58 1x1g h ALA 118 Ca 0.37 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.43 1x1g h ALA 118 Cb 0.59 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1x1g h ALA 118 CO -0.88 -0.66 -0.27 0.82 0.00 0.00 0.00 179.25 178.26 1x1g h ILE 119 N -0.19 0.41 -0.56 0.00 2.04 0.26 -2.08 117.51 117.40 1x1g h ILE 119 Ca 0.21 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.18 1x1g h ILE 119 Cb 0.52 0.41 -0.11 0.00 -0.74 0.00 0.00 36.82 36.91 1x1g h ILE 119 CO -0.58 0.00 -0.21 0.11 0.00 0.00 0.00 178.15 177.47 1x1g h LYS 120 N -0.51 -0.07 -0.75 2.37 1.57 0.58 0.56 116.57 120.32 1x1g h LYS 120 Ca 0.02 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1x1g h LYS 120 Cb 0.51 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.72 1x1g h LYS 120 CO -0.13 -0.05 -0.44 0.87 -0.57 0.00 0.00 179.45 179.13 1x1g h LYS 121 N -0.08 -0.12 -0.03 3.15 1.57 0.67 0.18 116.57 121.91 1x1g h LYS 121 Ca 0.26 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1x1g h LYS 121 Cb 0.48 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1x1g h LYS 121 CO -0.61 -0.08 -0.23 -0.07 -0.57 0.00 0.00 179.45 177.89 1x1g h LEU 122 N -0.13 -0.67-10.39 2.94 -0.00 -0.50 -3.41 115.31 103.15 1x1g h LEU 122 Ca 0.23 0.10 -0.44 0.00 -0.00 0.00 0.00 57.88 57.77 1x1g h LEU 122 Cb 0.55 0.28 0.17 0.00 -0.00 0.00 0.00 40.66 41.66 1x1g h LEU 122 CO -0.81 -0.29 0.18 0.42 -0.00 0.00 0.00 178.44 177.94 1x1g s THR 123 N -6.09 1.86 -0.66 0.22 -4.23 0.63 -4.82 115.64 102.56 1x1g s THR 123 Ca -0.15 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.10 1x1g s THR 123 Cb 0.09 -2.52 -0.07 0.00 1.34 0.00 0.00 72.50 71.34 1x1g s THR 123 CO 0.66 0.00 2.22 -0.44 -0.54 0.00 0.00 174.62 176.53 1x1g s SER 124 N -3.69 4.57 -0.09 3.99 0.01 -1.26 -4.84 113.70 112.40 1x1g s SER 124 Ca 0.68 0.39 -0.30 0.00 1.31 0.00 0.00 55.95 58.03 1x1g s SER 124 Cb -0.15 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1x1g s SER 124 CO 0.57 -3.01 1.51 -0.83 0.41 0.00 0.00 173.24 171.88 1x1g s GLY 125 N 10.37 1.59 -1.20 3.44 0.00 -1.25 -4.90 107.32 115.37 1x1g s GLY 125 Ca 0.86 0.77 -0.20 0.00 0.00 0.00 0.00 44.72 46.15 1x1g s GLY 125 CO 0.16 2.82 1.91 -1.55 0.00 0.00 0.00 173.10 176.45 1x1g n PRO 126 N 6.83 2.33 -1.31 2.90 -0.04 -1.26 -4.82 135.00 139.63 1x1g n PRO 126 Ca 0.16 -2.66 0.16 0.00 -0.04 0.00 0.00 63.50 61.12 1x1g n PRO 126 Cb 0.43 -3.44 -0.08 0.00 -0.04 0.00 0.00 33.50 30.38 1x1g n PRO 126 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x1g n SER 127 N 9.85 -7.46 -4.19 3.54 7.64 -1.26 -4.97 113.62 116.76 1x1g n SER 127 Ca 0.48 1.16 -0.20 0.00 1.01 0.00 0.00 58.87 61.32 1x1g n SER 127 Cb 0.44 -4.40 -0.12 0.00 -1.01 0.00 0.00 64.21 59.12 1x1g n SER 127 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x1g s SER 128 N -7.00 1.84 0.00 6.43 0.15 -1.26 -5.18 113.70 108.68 1x1g s SER 128 Ca 0.00 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1x1g s SER 128 Cb 0.00 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1x1g s SER 128 CO 0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.02