#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 0.00 -4.07 1.61 7.64 -1.26 -4.86 113.62 112.68 1x1g n SER 2 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1x1g n SER 2 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1x1g n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x1g n SER 3 N 1.95 -5.42 -3.46 6.43 3.41 -1.26 -4.70 113.62 110.57 1x1g n SER 3 Ca 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1x1g n SER 3 Cb 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1x1g n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x1g n GLY 4 N 3.20 -1.51 1.38 5.00 0.00 -1.26 -3.95 105.19 108.04 1x1g n GLY 4 Ca -0.00 -1.35 0.17 0.00 0.00 0.00 0.00 46.02 44.83 1x1g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 5 N 0.00 -7.82 -4.45 1.61 7.64 -1.26 -4.58 113.62 104.77 1x1g n SER 5 Ca 0.00 1.24 -0.58 0.00 1.01 0.00 0.00 58.87 60.54 1x1g n SER 5 Cb 0.00 -4.64 -0.09 0.00 -1.01 0.00 0.00 64.21 58.46 1x1g n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x1g n SER 6 N -4.24 1.50 0.00 6.43 7.64 -1.26 -4.05 113.62 119.64 1x1g n SER 6 Ca -0.07 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1x1g n SER 6 Cb 0.65 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1x1g n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1g n GLY 7 N 6.23 -1.01 1.45 0.23 0.00 -1.26 -5.15 105.19 105.67 1x1g n GLY 7 Ca 0.43 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 0.00 -7.89 -4.24 1.61 2.88 -1.25 -4.91 113.62 99.82 1x1g n SER 8 Ca 0.00 1.12 -0.36 0.00 -1.33 0.00 0.00 58.87 58.30 1x1g n SER 8 Cb 0.00 -4.18 -0.13 0.00 -0.75 0.00 0.00 64.21 59.15 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 -3.04 3.77 -0.30 2.46 2.96 -1.26 -4.74 118.68 118.53 1x1g s LEU 9 Ca 0.00 -1.01 -0.18 0.00 -0.22 0.00 0.00 54.13 52.72 1x1g s LEU 9 Cb 0.00 -1.77 0.20 0.00 0.50 0.00 0.00 46.19 45.13 1x1g s LEU 9 CO 0.00 -0.22 1.27 -0.44 -1.32 0.00 0.00 176.35 175.64 1x1g s SER 10 N 1.36 -0.10 0.87 3.68 0.01 -1.26 -4.73 113.70 113.53 1x1g s SER 10 Ca -0.01 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.30 1x1g s SER 10 Cb -0.18 0.88 0.12 0.00 0.21 0.00 0.00 66.02 67.04 1x1g s SER 10 CO -0.00 -0.03 1.10 -0.89 0.41 0.00 0.00 173.24 173.83 1x1g s THR 11 N 0.88 2.68 0.06 1.44 2.01 -1.26 -4.98 115.64 116.47 1x1g s THR 11 Ca -0.05 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1x1g s THR 11 Cb -0.03 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.96 1x1g s THR 11 CO -0.11 -0.29 0.00 0.55 -0.69 0.00 0.00 174.62 174.08 1x1g n VAL 12 N -3.94 0.00 -0.17 3.82 3.14 -1.26 -4.67 118.33 115.25 1x1g n VAL 12 Ca 0.09 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.41 1x1g n VAL 12 Cb 0.53 -0.07 0.03 0.00 -1.06 0.00 0.00 33.84 33.28 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 0.60 -0.03 1.45 5.08 -1.96 0.44 114.58 120.16 1x1g h GLU 13 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1x1g h GLU 13 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1x1g h GLU 13 CO 0.00 0.40 0.00 1.28 -1.00 0.00 0.00 179.01 179.69 1x1g n LEU 14 N -4.79 0.77 -2.85 1.33 4.77 -1.26 -4.10 117.00 110.88 1x1g n LEU 14 Ca 0.03 -0.27 -0.33 0.00 -0.03 0.00 0.00 56.01 55.41 1x1g n LEU 14 Cb 0.06 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1x1g n LEU 14 CO 0.33 0.14 1.72 -1.20 -1.33 0.00 0.00 177.39 177.04 1x1g n SER 15 N -0.37 7.04 -4.33 -1.43 7.64 0.14 -4.91 113.62 117.40 1x1g n SER 15 Ca 0.20 -3.36 -0.18 0.00 1.01 0.00 0.00 58.87 56.54 1x1g n SER 15 Cb 0.22 -1.22 -0.10 0.00 -1.01 0.00 0.00 64.21 62.10 1x1g n SER 15 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x1g s GLY 16 N -0.05 1.37 -0.07 0.23 0.00 -1.26 -3.66 107.32 103.89 1x1g s GLY 16 Ca 0.55 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.36 1x1g s GLY 16 CO -0.23 -1.71 1.33 -1.59 0.00 0.00 0.00 173.10 170.91 1x1g s THR 17 N -2.89 4.00 0.05 0.90 2.01 0.38 -4.37 115.64 115.72 1x1g s THR 17 Ca 0.21 1.31 -0.33 0.00 0.31 0.00 0.00 61.69 63.19 1x1g s THR 17 Cb -0.01 -3.84 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 1x1g s THR 17 CO 0.06 -0.04 1.78 0.52 -0.69 0.00 0.00 174.62 176.24 1x1g n VAL 18 N 4.93 0.35 -0.04 3.82 0.31 -1.26 -0.01 118.33 126.43 1x1g n VAL 18 Ca 0.13 -0.06 -0.04 0.00 -0.01 0.00 0.00 64.34 64.36 1x1g n VAL 18 Cb 0.45 -1.84 -0.07 0.00 -0.91 0.00 0.00 33.84 31.47 1x1g n VAL 18 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1x1g n VAL 19 N 4.50 0.56 -3.68 2.52 0.24 0.47 -4.89 118.33 118.04 1x1g n VAL 19 Ca 0.20 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 1x1g n VAL 19 Cb 0.32 -0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 31.86 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 0.69 -0.02 7.34 2.20 -1.13 -5.01 119.74 121.59 1x1g s LYS 20 Ca -0.04 0.50 -0.10 0.00 -0.36 0.00 0.00 55.97 55.96 1x1g s LYS 20 Cb 0.03 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.69 1x1g s LYS 20 CO 0.34 -0.13 0.22 -0.65 -0.36 0.00 0.00 175.35 174.77 1x1g s GLN 21 N -0.22 0.51 0.00 4.03 -0.21 -1.26 0.17 119.66 122.68 1x1g s GLN 21 Ca -0.04 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.16 1x1g s GLN 21 Cb -0.03 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.20 1x1g s GLN 21 CO 0.03 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 1x1g n GLY 22 N 1.69 -1.88 3.32 3.09 0.00 -0.87 -5.02 105.19 105.52 1x1g n GLY 22 Ca -0.20 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 1x1g n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1g s TYR 23 N -2.61 2.93 0.44 1.61 2.02 -1.26 -0.47 117.35 120.02 1x1g s TYR 23 Ca 0.00 -0.90 0.06 0.00 -0.37 0.00 0.00 57.07 55.86 1x1g s TYR 23 Cb 0.00 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1x1g s TYR 23 CO 0.00 -0.49 0.17 -0.51 -1.57 0.00 0.00 175.55 173.15 1x1g s LEU 24 N 1.26 2.94 -0.24 -1.29 1.43 0.16 -4.54 118.68 118.40 1x1g s LEU 24 Ca 0.03 -1.20 0.02 0.00 -1.03 0.00 0.00 54.13 51.95 1x1g s LEU 24 Cb -0.14 -1.26 0.05 0.00 0.03 0.00 0.00 46.19 44.87 1x1g s LEU 24 CO -0.02 -0.64 -0.13 0.00 0.23 0.00 0.00 176.35 175.79 1x1g s ALA 25 N -2.67 2.47 0.28 4.21 0.00 -1.09 0.20 121.76 125.16 1x1g s ALA 25 Ca 0.35 -1.62 -0.26 0.00 0.00 0.00 0.00 51.96 50.43 1x1g s ALA 25 Cb 0.04 -1.49 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 1x1g s ALA 25 CO 0.19 -1.01 0.90 0.21 0.00 0.00 0.00 175.76 176.06 1x1g s LYS 26 N 1.16 4.61 0.17 0.00 2.20 -0.86 -0.91 119.74 126.10 1x1g s LYS 26 Ca -0.06 1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 56.56 1x1g s LYS 26 Cb -0.18 -2.97 -0.02 0.00 -1.51 0.00 0.00 37.83 33.14 1x1g s LYS 26 CO -0.07 0.38 1.55 0.37 -0.36 0.00 0.00 175.35 177.22 1x1g h GLN 27 N 3.54 -0.08 0.00 4.03 4.15 -1.81 -3.22 115.11 121.72 1x1g h GLN 27 Ca -0.46 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1x1g h GLN 27 Cb 1.19 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1x1g h GLN 27 CO 0.66 -0.06 0.00 0.41 -1.93 0.00 0.00 178.83 177.91 1x1g n GLY 28 N -1.32 0.26 1.35 2.39 0.00 -1.26 -4.11 105.19 102.50 1x1g n GLY 28 Ca 0.02 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1x1g n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x1g n HIS 29 N 0.00 -1.69 -5.16 1.61 -0.00 -1.26 -5.13 115.22 103.59 1x1g n HIS 29 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 1x1g n HIS 29 Cb 0.00 0.34 -0.16 0.00 -0.00 0.00 0.00 29.99 30.16 1x1g n HIS 29 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1x1g s LYS 30 N -0.92 2.42 0.43 -0.41 -0.14 -1.26 -5.03 119.74 114.83 1x1g s LYS 30 Ca 0.00 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 53.78 1x1g s LYS 30 Cb 0.00 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 1x1g s LYS 30 CO 0.00 0.33 0.00 -2.13 -0.76 0.00 0.00 175.35 172.79 1x1g n ARG 31 N 3.06 -3.28 -2.24 1.68 0.63 -1.26 -5.00 116.66 110.24 1x1g n ARG 31 Ca -0.18 2.51 0.00 0.00 -0.92 0.00 0.00 57.85 59.26 1x1g n ARG 31 Cb 0.52 -3.00 0.00 0.00 0.45 0.00 0.00 32.46 30.43 1x1g n ARG 31 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x1g n LYS 32 N -1.78 -5.41 0.24 -0.14 4.01 -1.26 -4.86 118.16 108.96 1x1g n LYS 32 Ca 0.00 3.88 -0.16 0.00 -0.51 0.00 0.00 58.31 61.53 1x1g n LYS 32 Cb 0.22 -4.57 -0.09 0.00 -0.51 0.00 0.00 35.03 30.09 1x1g n LYS 32 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1x1g h ASN 33 N 4.32 -1.22 -3.26 4.39 4.21 -1.94 -3.42 115.58 118.65 1x1g h ASN 33 Ca 0.00 0.10 -0.39 0.00 1.21 0.00 0.00 56.30 57.22 1x1g h ASN 33 Cb 0.00 0.40 -0.39 0.00 -1.12 0.00 0.00 38.32 37.21 1x1g h ASN 33 CO 0.00 -0.57 -0.74 0.26 -1.29 0.00 0.00 177.43 175.09 1x1g s TRP 34 N -5.44 0.09 0.05 1.19 0.52 -1.26 -4.49 118.94 109.61 1x1g s TRP 34 Ca -0.15 0.15 -0.02 0.00 0.02 0.00 0.00 56.10 56.10 1x1g s TRP 34 Cb 0.04 -0.52 -0.04 0.00 -1.15 0.00 0.00 33.47 31.79 1x1g s TRP 34 CO 0.52 -0.25 0.24 0.21 0.02 0.00 0.00 176.95 177.69 1x1g s LYS 35 N 2.16 3.49 0.00 4.98 2.47 -1.22 -4.95 119.74 126.67 1x1g s LYS 35 Ca 0.04 -0.31 -0.21 0.00 -1.56 0.00 0.00 55.97 53.94 1x1g s LYS 35 Cb -0.13 -3.02 -0.05 0.00 -1.46 0.00 0.00 37.83 33.17 1x1g s LYS 35 CO -0.04 0.60 0.61 0.08 0.16 0.00 0.00 175.35 176.76 1x1g s VAL 36 N -1.47 4.89 0.01 4.02 1.01 -1.26 -2.04 120.40 125.56 1x1g s VAL 36 Ca 0.34 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.60 1x1g s VAL 36 Cb -0.13 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1x1g s VAL 36 CO 0.24 0.42 -0.03 -0.13 0.00 0.00 0.00 175.10 175.60 1x1g s ARG 37 N -0.22 0.27 -0.59 2.72 0.52 0.53 -4.58 118.95 117.61 1x1g s ARG 37 Ca 0.31 -0.35 -0.28 0.00 -0.52 0.00 0.00 55.73 54.89 1x1g s ARG 37 Cb -0.18 -0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.20 1x1g s ARG 37 CO 0.18 0.02 1.28 0.50 0.02 0.00 0.00 175.30 177.30 1x1g s ARG 38 N -0.73 3.40 -0.10 3.54 3.52 0.11 0.36 118.95 129.04 1x1g s ARG 38 Ca -0.06 0.27 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 1x1g s ARG 38 Cb -0.05 -4.07 -0.05 0.00 -1.56 0.00 0.00 34.95 29.22 1x1g s ARG 38 CO -0.00 -1.82 0.26 -0.06 -0.81 0.00 0.00 175.30 172.86 1x1g s PHE 39 N 5.43 3.58 0.01 5.12 0.40 0.38 0.82 117.98 133.73 1x1g s PHE 39 Ca 0.45 0.67 0.09 0.00 -0.60 0.00 0.00 56.93 57.54 1x1g s PHE 39 Cb -0.09 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.25 1x1g s PHE 39 CO 0.24 0.54 -0.26 0.54 0.70 0.00 0.00 175.22 176.98 1x1g s VAL 40 N -0.52 2.07 -0.13 -0.44 0.11 0.38 -2.04 120.40 119.83 1x1g s VAL 40 Ca 0.17 -1.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1x1g s VAL 40 Cb -0.14 -1.74 -0.00 0.00 -1.53 0.00 0.00 36.38 32.97 1x1g s VAL 40 CO 0.06 0.48 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.91 1x1g s LEU 41 N -0.89 2.40 0.30 2.54 0.20 0.46 -1.94 118.68 121.75 1x1g s LEU 41 Ca 0.11 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.50 1x1g s LEU 41 Cb -0.10 -1.52 -0.06 0.00 -0.43 0.00 0.00 46.19 44.08 1x1g s LEU 41 CO 0.00 0.13 0.02 -0.13 -0.29 0.00 0.00 176.35 176.09 1x1g s ARG 42 N 0.53 1.56 -0.00 1.98 0.52 -0.82 -0.39 118.95 122.32 1x1g s ARG 42 Ca -0.11 -1.84 -0.04 0.00 -0.52 0.00 0.00 55.73 53.21 1x1g s ARG 42 Cb -0.16 -0.86 -0.00 0.00 0.52 0.00 0.00 34.95 34.44 1x1g s ARG 42 CO 0.04 -0.13 0.08 -1.59 0.02 0.00 0.00 175.30 173.73 1x1g s LYS 43 N -3.86 0.35 -0.50 3.54 -2.85 0.99 -3.30 119.74 114.12 1x1g s LYS 43 Ca 0.34 -0.34 -0.25 0.00 -1.00 0.00 0.00 55.97 54.72 1x1g s LYS 43 Cb 0.07 0.14 0.04 0.00 -2.06 0.00 0.00 37.83 36.02 1x1g s LYS 43 CO 0.13 -0.07 0.64 -3.47 0.10 0.00 0.00 175.35 172.68 1x1g n ASP 44 N 1.84 -6.39 -4.58 0.03 2.03 -1.26 0.14 116.55 108.37 1x1g n ASP 44 Ca -0.21 -0.01 -0.29 0.00 0.52 0.00 0.00 54.79 54.80 1x1g n ASP 44 Cb 0.56 -3.12 0.15 0.00 -0.72 0.00 0.00 41.12 38.00 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 -2.80 0.78 -0.57 -0.67 0.04 -1.24 -3.98 135.00 126.56 1x1g s PRO 45 Ca 0.28 0.15 -0.19 0.00 0.04 0.00 0.00 61.00 61.28 1x1g s PRO 45 Cb -0.04 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.79 1x1g s PRO 45 CO 0.84 -2.42 0.67 0.00 0.04 0.00 0.00 177.00 176.13 1x1g s ALA 46 N -3.33 3.44 0.17 8.56 0.00 -1.26 -4.56 121.76 124.77 1x1g s ALA 46 Ca 0.66 -2.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.35 1x1g s ALA 46 Cb -0.13 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1x1g s ALA 46 CO 0.54 -2.26 0.24 -0.06 0.00 0.00 0.00 175.76 174.21 1x1g s PHE 47 N 2.55 0.56 -0.15 0.00 0.40 -1.21 -2.54 117.98 117.59 1x1g s PHE 47 Ca 0.11 -0.91 -0.04 0.00 -0.60 0.00 0.00 56.93 55.49 1x1g s PHE 47 Cb -0.24 -0.17 0.07 0.00 0.51 0.00 0.00 43.02 43.18 1x1g s PHE 47 CO 0.07 -0.69 0.16 -1.17 0.70 0.00 0.00 175.22 174.28 1x1g s LEU 48 N -3.00 0.04 0.35 -0.37 2.96 -1.19 -1.95 118.68 115.51 1x1g s LEU 48 Ca 0.21 -0.13 0.09 0.00 -0.22 0.00 0.00 54.13 54.07 1x1g s LEU 48 Cb 0.04 0.15 -0.06 0.00 0.50 0.00 0.00 46.19 46.83 1x1g s LEU 48 CO 0.02 -0.30 0.02 -1.00 -1.32 0.00 0.00 176.35 173.77 1x1g s HIS 49 N 2.26 2.54 -0.11 5.38 3.76 -0.82 -2.51 115.29 125.80 1x1g s HIS 49 Ca 0.04 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.32 1x1g s HIS 49 Cb -0.14 -1.55 0.04 0.00 1.11 0.00 0.00 32.58 32.03 1x1g s HIS 49 CO -0.09 0.45 0.40 1.52 -0.85 0.00 0.00 174.74 176.17 1x1g s TYR 50 N -2.55 -0.39 0.24 1.40 -0.85 -1.26 0.14 117.35 114.09 1x1g s TYR 50 Ca 0.35 0.87 0.11 0.00 -0.52 0.00 0.00 57.07 57.88 1x1g s TYR 50 Cb 0.01 0.15 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 1x1g s TYR 50 CO 0.19 -0.29 -0.20 0.71 -1.52 0.00 0.00 175.55 174.45 1x1g s TYR 51 N -0.30 2.34 -0.19 -3.49 1.51 0.24 -0.13 117.35 117.32 1x1g s TYR 51 Ca -0.04 -0.33 -0.21 0.00 -1.01 0.00 0.00 57.07 55.47 1x1g s TYR 51 Cb -0.03 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1x1g s TYR 51 CO 0.02 0.63 0.65 0.34 -1.11 0.00 0.00 175.55 176.08 1x1g s ASP 52 N -3.19 6.72 0.00 2.29 -1.08 -1.26 0.04 116.67 120.18 1x1g s ASP 52 Ca 0.27 0.87 0.23 0.00 -0.52 0.00 0.00 52.55 53.40 1x1g s ASP 52 Cb -0.06 -2.36 1.40 0.00 -1.46 0.00 0.00 42.92 40.44 1x1g s ASP 52 CO 0.13 -0.29 1.77 -0.81 0.52 0.00 0.00 175.17 176.50 1x1g n PRO 53 N 5.07 0.75 -0.08 4.34 -0.04 -1.26 -3.50 135.00 140.27 1x1g n PRO 53 Ca -0.01 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 1x1g n PRO 53 Cb 0.50 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1x1g n PRO 53 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x1g n SER 54 N -0.99 1.75 -3.46 3.54 2.88 -1.26 -5.02 113.62 111.06 1x1g n SER 54 Ca 0.18 0.29 -0.30 0.00 -1.33 0.00 0.00 58.87 57.71 1x1g n SER 54 Cb 0.08 -0.67 0.29 0.00 -0.75 0.00 0.00 64.21 63.16 1x1g n SER 54 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x1g s LYS 55 N -2.66 -3.07 -0.30 -1.46 -0.14 -1.23 -5.04 119.74 105.84 1x1g s LYS 55 Ca -0.26 0.22 -0.01 0.00 -1.36 0.00 0.00 55.97 54.56 1x1g s LYS 55 Cb 0.06 -1.35 0.13 0.00 -1.68 0.00 0.00 37.83 34.99 1x1g s LYS 55 CO 0.37 -4.99 0.27 -1.21 -0.76 0.00 0.00 175.35 169.04 1x1g s GLU 56 N -4.98 0.33 0.08 1.68 2.02 -1.26 -4.90 118.70 111.67 1x1g s GLU 56 Ca 0.68 -0.29 -0.16 0.00 0.02 0.00 0.00 54.97 55.22 1x1g s GLU 56 Cb -0.15 -0.76 0.03 0.00 0.10 0.00 0.00 34.13 33.36 1x1g s GLU 56 CO 0.59 -1.05 0.37 -1.83 0.02 0.00 0.00 175.26 173.36 1x1g s GLU 57 N 2.21 0.96 -1.25 1.61 -1.05 -1.26 -5.05 118.70 114.87 1x1g s GLU 57 Ca 0.10 -0.58 -0.05 0.00 -0.15 0.00 0.00 54.97 54.29 1x1g s GLU 57 Cb -0.15 0.42 0.13 0.00 -0.44 0.00 0.00 34.13 34.09 1x1g s GLU 57 CO -0.30 -0.35 2.38 0.09 0.95 0.00 0.00 175.26 178.03 1x1g n ASN 58 N 0.17 7.92 -3.63 0.83 4.13 -1.26 -4.85 115.26 118.56 1x1g n ASN 58 Ca -0.17 -3.18 -0.03 0.00 1.68 0.00 0.00 54.58 52.88 1x1g n ASN 58 Cb 0.62 -1.34 -0.02 0.00 -1.54 0.00 0.00 39.78 37.49 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 -1.38 0.12 0.72 3.52 3.52 -1.26 -5.17 118.95 119.02 1x1g s ARG 59 Ca 0.54 -0.04 -0.11 0.00 -0.13 0.00 0.00 55.73 55.99 1x1g s ARG 59 Cb 0.20 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 1x1g s ARG 59 CO -0.11 -0.05 1.07 -1.25 -0.81 0.00 0.00 175.30 174.15 1x1g s PRO 60 N -2.00 2.77 0.17 5.12 0.04 -1.26 -4.87 135.00 134.96 1x1g s PRO 60 Ca 0.10 0.89 0.07 0.00 0.04 0.00 0.00 61.00 62.11 1x1g s PRO 60 Cb -0.01 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1x1g s PRO 60 CO -0.04 -1.20 1.39 0.28 0.04 0.00 0.00 177.00 177.47 1x1g h VAL 61 N -0.79 1.61 0.00 -0.36 2.07 -0.88 -3.48 116.25 114.41 1x1g h VAL 61 Ca -0.44 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.14 1x1g h VAL 61 Cb 1.22 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1x1g h VAL 61 CO 0.57 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.62 1x1g n GLY 62 N 0.97 3.08 0.00 2.17 0.00 -1.21 -5.06 105.19 105.15 1x1g n GLY 62 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x1g n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1g n GLY 63 N 0.00 3.09 3.43 -0.02 0.00 -1.26 -4.48 105.19 105.96 1x1g n GLY 63 Ca 0.00 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 1x1g n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x1g s PHE 64 N 0.00 2.34 -0.22 1.61 -0.71 -1.04 -4.96 117.98 114.99 1x1g s PHE 64 Ca 0.00 -0.35 -0.29 0.00 -1.04 0.00 0.00 56.93 55.25 1x1g s PHE 64 Cb 0.00 -1.18 -0.01 0.00 -1.21 0.00 0.00 43.02 40.62 1x1g s PHE 64 CO 0.00 0.47 1.34 -1.54 -1.34 0.00 0.00 175.22 174.16 1x1g s SER 65 N -2.58 6.74 0.11 1.98 1.04 -1.26 -3.15 113.70 116.58 1x1g s SER 65 Ca 0.20 1.51 -0.16 0.00 0.48 0.00 0.00 55.95 57.98 1x1g s SER 65 Cb -0.08 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1x1g s SER 65 CO 0.10 -0.97 1.56 -0.07 0.98 0.00 0.00 173.24 174.84 1x1g h LEU 66 N 10.48 0.59 -7.10 2.42 3.38 -1.84 -3.44 115.31 119.81 1x1g h LEU 66 Ca -0.28 -0.30 -0.68 0.00 0.09 0.00 0.00 57.88 56.70 1x1g h LEU 66 Cb 1.11 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1x1g h LEU 66 CO 1.00 0.75 1.11 0.54 0.09 0.00 0.00 178.44 181.93 1x1g n ARG 67 N -4.52 0.00 -2.14 1.13 5.12 -1.20 0.08 116.66 115.13 1x1g n ARG 67 Ca -0.02 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.89 1x1g n ARG 67 Cb 0.27 -1.32 0.01 0.00 -1.16 0.00 0.00 32.46 30.26 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 6.31 0.40 1.63 -0.13 0.00 -1.26 -4.86 105.19 107.27 1x1g n GLY 68 Ca 0.46 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1x1g n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x1g n SER 69 N -1.07 0.77 -3.61 1.61 7.64 0.11 -1.60 113.62 117.48 1x1g n SER 69 Ca -0.02 -2.06 -0.13 0.00 1.01 0.00 0.00 58.87 57.67 1x1g n SER 69 Cb 0.51 0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 64.23 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 0.16 0.03 -3.43 2.96 0.53 -4.57 118.68 114.36 1x1g s LEU 70 Ca 0.12 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1x1g s LEU 70 Cb 0.01 1.96 -0.02 0.00 0.50 0.00 0.00 46.19 48.63 1x1g s LEU 70 CO 0.09 -0.74 0.01 0.54 -1.32 0.00 0.00 176.35 174.92 1x1g s VAL 71 N -2.80 0.14 0.17 1.68 0.11 -1.26 0.16 120.40 118.59 1x1g s VAL 71 Ca -0.03 -1.12 -0.23 0.00 -2.93 0.00 0.00 61.98 57.66 1x1g s VAL 71 Cb -0.00 -0.67 0.06 0.00 -1.53 0.00 0.00 36.38 34.24 1x1g s VAL 71 CO -0.05 -0.62 0.65 -0.44 -3.33 0.00 0.00 175.10 171.31 1x1g s SER 72 N -1.90 -0.50 0.02 3.54 0.01 -0.24 -4.93 113.70 109.70 1x1g s SER 72 Ca -0.09 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.07 1x1g s SER 72 Cb -0.04 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 1x1g s SER 72 CO -0.03 -1.01 0.06 0.00 0.41 0.00 0.00 173.24 172.67 1x1g s ALA 73 N -3.73 3.51 0.30 1.44 0.00 -1.26 0.33 121.76 122.36 1x1g s ALA 73 Ca 0.03 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1x1g s ALA 73 Cb -0.02 -1.48 0.05 0.00 0.00 0.00 0.00 23.12 21.67 1x1g s ALA 73 CO -0.09 0.70 0.38 1.28 0.00 0.00 0.00 175.76 178.03 1x1g n LEU 74 N 0.99 0.00 -4.31 0.00 4.77 0.26 -4.92 117.00 113.79 1x1g n LEU 74 Ca -0.12 -1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 54.48 1x1g n LEU 74 Cb 0.52 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1x1g n LEU 74 CO 0.39 -0.61 -0.51 -1.61 -1.33 0.00 0.00 177.39 173.71 1x1g s GLU 75 N -3.27 1.19 0.00 3.23 2.02 -1.24 -4.15 118.70 116.48 1x1g s GLU 75 Ca 0.29 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 54.04 1x1g s GLU 75 Cb -0.02 -1.43 0.00 0.00 0.10 0.00 0.00 34.13 32.78 1x1g s GLU 75 CO 0.18 0.32 0.89 -3.47 0.02 0.00 0.00 175.26 173.20 1x1g n ASP 76 N 0.88 0.00 -0.05 -0.19 2.03 -1.26 -3.98 116.55 113.98 1x1g n ASP 76 Ca -0.18 0.89 0.00 0.00 0.52 0.00 0.00 54.79 56.02 1x1g n ASP 76 Cb 0.54 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1x1g n ASP 76 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1x1g n ASN 77 N -2.53 -0.56 -3.89 1.67 2.85 -1.26 -4.28 115.26 107.26 1x1g n ASN 77 Ca 0.00 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.18 1x1g n ASN 77 Cb 0.00 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 1x1g n ASN 77 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1x1g s GLY 78 N -0.65 2.54 0.42 8.20 0.00 -1.26 -5.02 107.32 111.54 1x1g s GLY 78 Ca 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 44.72 41.30 1x1g s GLY 78 CO 0.00 1.13 0.00 -0.62 0.00 0.00 0.00 173.10 173.61 1x1g n VAL 79 N 2.66 -4.73 0.05 1.40 0.31 -1.26 -4.92 118.33 111.84 1x1g n VAL 79 Ca 0.12 2.07 -0.02 0.00 -0.01 0.00 0.00 64.34 66.50 1x1g n VAL 79 Cb 0.34 -2.86 -0.01 0.00 -0.91 0.00 0.00 33.84 30.40 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 1.63 -0.15 0.00 5.55 0.13 -1.91 -3.50 132.00 133.74 1x1g h PRO 80 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1x1g h PRO 80 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1x1g h PRO 80 CO 0.00 -0.10 0.00 2.41 -0.23 0.00 0.00 178.00 180.08 1x1g n THR 81 N -3.40 0.00 -3.30 1.56 -1.04 -1.26 -5.04 114.28 101.79 1x1g n THR 81 Ca -0.02 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.60 1x1g n THR 81 Cb 0.06 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.55 1x1g n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x1g n GLY 82 N 0.00 4.64 0.84 3.41 0.00 -1.26 -4.72 105.19 108.10 1x1g n GLY 82 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.37 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 1.79 0.00 -3.71 1.61 0.31 -1.26 -5.17 118.33 111.91 1x1g n VAL 83 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1x1g n VAL 83 Cb 0.37 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.13 0.00 -0.33 5.55 4.76 -1.26 -5.00 118.16 119.75 1x1g n LYS 84 Ca 0.00 -0.01 0.23 0.00 -2.87 0.00 0.00 58.31 55.66 1x1g n LYS 84 Cb 0.00 0.02 0.44 0.00 -1.84 0.00 0.00 35.03 33.65 1x1g n LYS 84 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1x1g h GLY 85 N 0.03 1.78 0.00 0.72 0.00 -2.01 -3.42 103.07 100.18 1x1g h GLY 85 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1x1g h GLY 85 CO 0.00 -0.64 0.00 -2.01 0.00 0.00 0.00 176.54 173.90 1x1g n ASN 86 N -5.34 0.00 -3.09 0.19 5.15 -1.26 -4.76 115.26 106.16 1x1g n ASN 86 Ca 0.30 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.23 1x1g n ASN 86 Cb 1.01 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 40.32 1x1g n ASN 86 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1x1g n VAL 87 N 0.00 0.00 0.00 3.44 0.24 -1.26 -4.98 118.33 115.77 1x1g n VAL 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1x1g n VAL 87 Cb 0.00 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 1x1g n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x1g n GLN 88 N -1.98 0.00 0.00 7.34 1.13 -1.26 -4.98 117.38 117.62 1x1g n GLN 88 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1x1g n GLN 88 Cb 0.11 -0.45 0.00 0.00 0.11 0.00 0.00 30.24 30.02 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 0.77 0.29 4.61 1.08 0.00 -1.26 -4.99 105.19 105.69 1x1g n GLY 89 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 0.00 0.00 1.61 5.15 -1.26 -4.80 115.26 115.97 1x1g n ASN 90 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1x1g n ASN 90 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 -3.53 1.20 4.32 -1.26 0.90 117.00 118.63 1x1g n LEU 91 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.86 1x1g n LEU 91 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1x1g n LEU 91 CO 0.00 0.00 0.60 0.72 -1.22 0.00 0.00 177.39 177.49 1x1g s PHE 92 N 0.00 -0.49 0.39 -1.77 -0.12 -1.03 -1.77 117.98 113.19 1x1g s PHE 92 Ca 0.00 0.74 0.08 0.00 -0.05 0.00 0.00 56.93 57.70 1x1g s PHE 92 Cb 0.00 0.46 -0.07 0.00 -0.63 0.00 0.00 43.02 42.77 1x1g s PHE 92 CO 0.00 -0.52 -0.01 -1.59 -0.05 0.00 0.00 175.22 173.06 1x1g s LYS 93 N -1.65 1.95 -0.30 1.99 -2.85 0.15 -0.76 119.74 118.27 1x1g s LYS 93 Ca -0.04 -2.01 -0.01 0.00 -1.00 0.00 0.00 55.97 52.91 1x1g s LYS 93 Cb -0.00 -1.71 0.10 0.00 -2.06 0.00 0.00 37.83 34.15 1x1g s LYS 93 CO 0.02 0.01 0.10 0.08 0.10 0.00 0.00 175.35 175.66 1x1g s VAL 94 N -2.66 0.75 -0.57 1.79 1.01 -0.96 -1.08 120.40 118.69 1x1g s VAL 94 Ca 0.35 -1.28 -0.25 0.00 0.00 0.00 0.00 61.98 60.80 1x1g s VAL 94 Cb 0.07 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.93 1x1g s VAL 94 CO 0.18 -0.66 1.01 -0.63 0.00 0.00 0.00 175.10 175.00 1x1g s ILE 95 N 1.69 4.29 0.01 2.22 1.01 0.42 -1.31 121.20 129.51 1x1g s ILE 95 Ca 0.09 0.39 -0.00 0.00 0.00 0.00 0.00 60.65 61.13 1x1g s ILE 95 Cb -0.17 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 37.70 1x1g s ILE 95 CO -0.26 -1.20 0.01 0.35 0.00 0.00 0.00 174.94 173.84 1x1g n THR 96 N 6.29 0.00 0.42 2.92 -2.24 -1.26 0.20 114.28 120.61 1x1g n THR 96 Ca 0.03 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1x1g n THR 96 Cb 0.48 -1.88 0.48 0.00 -2.10 0.00 0.00 70.33 67.31 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 -1.02 0.20 -0.51 -0.78 2.85 -0.63 -1.37 118.16 116.91 1x1g n LYS 97 Ca 0.00 0.40 0.11 0.00 -1.05 0.00 0.00 58.31 57.77 1x1g n LYS 97 Cb 0.00 -1.87 0.35 0.00 -0.65 0.00 0.00 35.03 32.87 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 -2.25 4.44 -3.46 -5.58 9.92 -1.26 -4.92 116.55 113.44 1x1g n ASP 98 Ca 0.03 -2.24 -0.24 0.00 -0.53 0.00 0.00 54.79 51.81 1x1g n ASP 98 Cb 0.25 -0.55 -0.02 0.00 -0.64 0.00 0.00 41.12 40.17 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1x1g n ASP 99 N 1.41 -3.12 0.35 -2.24 2.03 -0.47 -4.84 116.55 109.67 1x1g n ASP 99 Ca 0.26 -0.43 -0.14 0.00 0.52 0.00 0.00 54.79 54.99 1x1g n ASP 99 Cb 0.77 -2.61 -0.07 0.00 -0.72 0.00 0.00 41.12 38.50 1x1g n ASP 99 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1x1g h THR 100 N -0.86 0.00 -2.76 5.18 2.02 -1.84 -3.46 112.91 111.19 1x1g h THR 100 Ca -0.41 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1x1g h THR 100 Cb 1.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1x1g h THR 100 CO 0.53 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.83 1x1g n HIS 101 N -5.23 0.00 -3.30 3.16 -0.00 -1.01 -4.95 115.22 103.89 1x1g n HIS 101 Ca -0.11 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.15 1x1g n HIS 101 Cb 0.36 -1.38 -0.06 0.00 -0.00 0.00 0.00 29.99 28.92 1x1g n HIS 101 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1x1g s TYR 102 N 0.00 3.21 -0.01 4.41 2.02 -0.43 -4.73 117.35 121.82 1x1g s TYR 102 Ca 0.00 -1.12 -0.30 0.00 -0.37 0.00 0.00 57.07 55.27 1x1g s TYR 102 Cb 0.00 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 37.87 1x1g s TYR 102 CO 0.00 -0.99 1.23 0.71 -1.57 0.00 0.00 175.55 174.93 1x1g s TYR 103 N 1.78 3.22 0.21 2.71 1.51 -1.26 -2.26 117.35 123.26 1x1g s TYR 103 Ca 0.05 1.18 0.00 0.00 -1.01 0.00 0.00 57.07 57.30 1x1g s TYR 103 Cb -0.27 -3.46 -0.05 0.00 -0.11 0.00 0.00 41.96 38.07 1x1g s TYR 103 CO 0.05 -1.47 0.08 0.42 -1.11 0.00 0.00 175.55 173.51 1x1g s ILE 104 N 1.85 0.37 0.11 2.71 1.01 0.06 -2.58 121.20 124.72 1x1g s ILE 104 Ca 0.58 -1.98 0.10 0.00 0.00 0.00 0.00 60.65 59.35 1x1g s ILE 104 Cb -0.27 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1x1g s ILE 104 CO 0.25 -0.15 -0.25 -1.58 0.00 0.00 0.00 174.94 173.21 1x1g s GLN 105 N -4.05 1.34 0.40 2.79 2.00 -0.09 -2.46 119.66 119.59 1x1g s GLN 105 Ca 0.34 -1.26 0.08 0.00 -2.00 0.00 0.00 55.36 52.51 1x1g s GLN 105 Cb 0.07 -1.73 -0.02 0.00 0.80 0.00 0.00 33.01 32.12 1x1g s GLN 105 CO 0.10 0.41 0.35 0.00 -0.50 0.00 0.00 175.29 175.65 1x1g s ALA 106 N -1.06 4.00 0.07 1.58 0.00 -1.26 -2.68 121.76 122.41 1x1g s ALA 106 Ca 0.11 -1.85 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 1x1g s ALA 106 Cb -0.10 -1.02 -0.26 0.00 0.00 0.00 0.00 23.12 21.73 1x1g s ALA 106 CO 0.05 -0.18 1.13 0.77 0.00 0.00 0.00 175.76 177.53 1x1g h SER 107 N 1.08 0.29 -4.96 0.00 0.02 -1.92 -3.47 113.55 104.60 1x1g h SER 107 Ca -0.42 -0.33 -0.13 0.00 -0.84 0.00 0.00 61.79 60.07 1x1g h SER 107 Cb 1.26 -0.10 -0.20 0.00 0.14 0.00 0.00 62.40 63.50 1x1g h SER 107 CO 0.58 1.26 -0.34 -0.55 -1.14 0.00 0.00 176.83 176.65 1x1g s SER 108 N -6.98 -0.13 0.33 3.07 0.15 -1.26 -4.98 113.70 103.90 1x1g s SER 108 Ca -0.03 0.02 0.08 0.00 0.70 0.00 0.00 55.95 56.72 1x1g s SER 108 Cb 0.08 0.29 0.97 0.00 -1.71 0.00 0.00 66.02 65.64 1x1g s SER 108 CO 0.86 -0.42 1.57 0.50 1.20 0.00 0.00 173.24 176.95 1x1g h LYS 109 N 4.02 0.00 -0.08 5.44 3.11 -1.98 1.38 116.57 128.46 1x1g h LYS 109 Ca -0.30 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.53 1x1g h LYS 109 Cb 1.18 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.41 1x1g h LYS 109 CO 0.40 0.00 0.02 0.00 -2.81 0.00 0.00 179.45 177.06 1x1g h ALA 110 N 2.00 0.11 -0.99 5.00 0.00 -2.00 -2.72 119.26 120.65 1x1g h ALA 110 Ca 0.69 -0.13 0.35 0.00 0.00 0.00 0.00 54.91 55.82 1x1g h ALA 110 Cb 1.59 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 19.19 1x1g h ALA 110 CO -0.88 -0.26 0.46 1.49 0.00 0.00 0.00 179.25 180.06 1x1g h GLU 111 N -0.08 0.14 0.00 0.00 4.57 0.14 -1.52 114.58 117.83 1x1g h GLU 111 Ca 0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1x1g h GLU 111 Cb 0.25 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1x1g h GLU 111 CO 0.00 0.09 0.00 0.54 -1.18 0.00 0.00 179.01 178.46 1x1g n ARG 112 N -5.21 0.00 -0.27 1.92 1.74 -0.69 -0.21 116.66 113.94 1x1g n ARG 112 Ca 0.32 0.37 -0.00 0.00 -0.77 0.00 0.00 57.85 57.77 1x1g n ARG 112 Cb 1.06 -1.29 0.04 0.00 -1.02 0.00 0.00 32.46 31.25 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 -1.48 -0.06 -0.03 7.54 0.00 -0.67 0.31 120.51 126.12 1x1g n ALA 113 Ca 0.00 0.72 -0.08 0.00 0.00 0.00 0.00 53.44 54.07 1x1g n ALA 113 Cb 0.00 -0.34 -0.02 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 -0.19 -0.36 0.00 4.39 -1.17 2.23 114.58 119.48 1x1g h GLU 114 Ca 0.26 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.93 1x1g h GLU 114 Cb 0.44 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1x1g h GLU 114 CO -0.71 -0.13 0.06 -1.49 -1.16 0.00 0.00 179.01 175.58 1x1g h TRP 115 N -0.20 0.64 0.00 4.33 4.06 0.58 0.11 115.95 125.48 1x1g h TRP 115 Ca 0.12 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1x1g h TRP 115 Cb 0.37 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1x1g h TRP 115 CO -0.32 0.65 0.00 -0.89 -3.56 0.00 0.00 178.44 174.32 1x1g n ILE 116 N -4.56 0.00 -0.30 1.49 5.41 0.90 -1.68 119.36 120.62 1x1g n ILE 116 Ca -0.01 1.02 0.13 0.00 1.00 0.00 0.00 62.75 64.88 1x1g n ILE 116 Cb 0.23 -1.94 0.25 0.00 -0.71 0.00 0.00 39.64 37.47 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 -0.82 -0.07 -0.03 0.38 2.13 0.74 0.10 120.64 123.07 1x1g n GLU 117 Ca 0.00 1.29 -0.13 0.00 0.66 0.00 0.00 57.16 58.98 1x1g n GLU 117 Cb 0.00 -2.05 -0.07 0.00 0.27 0.00 0.00 31.44 29.59 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 1.72 -0.69 -0.03 4.31 0.00 -0.94 0.23 119.26 123.86 1x1g h ALA 118 Ca 0.52 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.45 1x1g h ALA 118 Cb 1.08 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1x1g h ALA 118 CO -0.81 -0.99 -0.26 0.82 0.00 0.00 0.00 179.25 178.02 1x1g h ILE 119 N -0.50 0.41 -0.96 0.00 2.04 0.16 -0.02 117.51 118.64 1x1g h ILE 119 Ca 0.07 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.22 1x1g h ILE 119 Cb 0.64 0.41 -0.15 0.00 -0.74 0.00 0.00 36.82 36.98 1x1g h ILE 119 CO -0.46 0.00 0.44 0.11 0.00 0.00 0.00 178.15 178.24 1x1g h LYS 120 N -0.38 0.26 0.50 2.37 1.57 -0.09 0.15 116.57 120.95 1x1g h LYS 120 Ca 0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1x1g h LYS 120 Cb 0.48 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1x1g h LYS 120 CO -0.25 0.17 -0.42 0.87 -0.57 0.00 0.00 179.45 179.26 1x1g h LYS 121 N 0.27 -0.86 -0.61 3.15 1.57 0.14 -2.68 116.57 117.54 1x1g h LYS 121 Ca 0.67 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.62 1x1g h LYS 121 Cb 1.47 0.20 -0.12 0.00 0.08 0.00 0.00 32.23 33.86 1x1g h LYS 121 CO -0.64 -0.58 -0.29 -0.07 -0.57 0.00 0.00 179.45 177.31 1x1g h LEU 122 N -0.90 -1.01-10.31 2.94 -0.00 -0.29 -3.41 115.31 102.33 1x1g h LEU 122 Ca -0.06 0.22 -0.40 0.00 -0.00 0.00 0.00 57.88 57.64 1x1g h LEU 122 Cb 0.76 0.53 0.20 0.00 -0.00 0.00 0.00 40.66 42.15 1x1g h LEU 122 CO -0.01 -0.28 0.06 0.42 -0.00 0.00 0.00 178.44 178.63 1x1g s THR 123 N -6.06 1.41 -0.02 0.22 -4.23 -0.14 -4.77 115.64 102.05 1x1g s THR 123 Ca -0.14 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.07 1x1g s THR 123 Cb 0.17 -2.39 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 1x1g s THR 123 CO 0.71 0.00 1.45 -0.44 -0.54 0.00 0.00 174.62 175.80 1x1g s SER 124 N -3.80 6.81 0.23 3.99 0.01 -1.26 -4.90 113.70 114.78 1x1g s SER 124 Ca 0.71 2.13 -0.01 0.00 1.31 0.00 0.00 55.95 60.09 1x1g s SER 124 Cb -0.09 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 1x1g s SER 124 CO 0.56 -0.77 0.22 -0.83 0.41 0.00 0.00 173.24 172.82 1x1g s GLY 125 N 2.17 1.48 -0.07 3.44 0.00 -1.26 -4.97 107.32 108.10 1x1g s GLY 125 Ca 0.65 -1.65 -0.21 0.00 0.00 0.00 0.00 44.72 43.51 1x1g s GLY 125 CO 0.26 -1.29 0.80 -0.56 0.00 0.00 0.00 173.10 172.31 1x1g h PRO 126 N 2.47 -0.12 -6.08 2.90 0.13 -1.94 -3.43 132.00 125.93 1x1g h PRO 126 Ca -0.33 0.01 -0.61 0.00 -0.87 0.00 0.00 66.00 64.20 1x1g h PRO 126 Cb 1.25 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1x1g h PRO 126 CO 0.47 0.41 1.38 0.45 -0.23 0.00 0.00 178.00 180.48 1x1g n SER 127 N -4.83 3.11 -4.87 1.44 2.88 -1.26 -4.94 113.62 105.15 1x1g n SER 127 Ca -0.08 0.47 -0.32 0.00 -1.33 0.00 0.00 58.87 57.61 1x1g n SER 127 Cb 0.29 -1.45 -0.05 0.00 -0.75 0.00 0.00 64.21 62.25 1x1g n SER 127 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x1g s SER 128 N 6.90 6.11 0.00 -3.46 1.04 -1.26 -5.07 113.70 117.95 1x1g s SER 128 Ca 1.00 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1x1g s SER 128 Cb -0.54 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1x1g s SER 128 CO 0.42 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.47