#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 -2.34 -3.81 1.61 2.88 -1.26 -5.07 113.62 105.63 1x1g n SER 2 Ca 0.00 1.34 -0.06 0.00 -1.33 0.00 0.00 58.87 58.83 1x1g n SER 2 Cb 0.00 -5.08 -0.02 0.00 -0.75 0.00 0.00 64.21 58.36 1x1g n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x1g s SER 3 N -0.85 -0.24 -0.30 -3.46 0.01 -1.26 -5.15 113.70 102.45 1x1g s SER 3 Ca -0.22 -0.52 -0.09 0.00 1.31 0.00 0.00 55.95 56.44 1x1g s SER 3 Cb 0.01 0.64 0.18 0.00 0.21 0.00 0.00 66.02 67.07 1x1g s SER 3 CO 0.75 -1.17 0.97 -0.83 0.41 0.00 0.00 173.24 173.37 1x1g s GLY 4 N -2.92 -0.82 0.14 3.44 0.00 -1.26 -5.17 107.32 100.73 1x1g s GLY 4 Ca 0.11 2.14 -0.04 0.00 0.00 0.00 0.00 44.72 46.94 1x1g s GLY 4 CO 0.05 3.95 0.13 -0.56 0.00 0.00 0.00 173.10 176.67 1x1g s SER 5 N 2.94 0.22 0.00 1.64 0.01 -1.26 -5.17 113.70 112.08 1x1g s SER 5 Ca 0.17 -1.09 0.04 0.00 1.31 0.00 0.00 55.95 56.39 1x1g s SER 5 Cb -0.06 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 1x1g s SER 5 CO -0.20 -0.78 -0.14 -0.44 0.41 0.00 0.00 173.24 172.08 1x1g s SER 6 N -3.02 1.67 0.00 2.44 0.01 -1.26 -5.15 113.70 108.39 1x1g s SER 6 Ca 0.21 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1x1g s SER 6 Cb 0.06 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1x1g s SER 6 CO 0.01 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1x1g n GLY 7 N 2.53 3.61 1.72 3.44 0.00 -1.26 -5.10 105.19 110.12 1x1g n GLY 7 Ca -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 0.14 -2.84 1.61 2.88 -1.26 -4.93 113.62 109.22 1x1g n SER 8 Ca 0.00 0.29 -0.25 0.00 -1.33 0.00 0.00 58.87 57.58 1x1g n SER 8 Cb 0.00 0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 63.58 1x1g n SER 8 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x1g n LEU 9 N -3.26 3.95 -3.45 2.46 4.77 -1.26 -4.94 117.00 115.27 1x1g n LEU 9 Ca 0.00 -5.39 -0.25 0.00 -0.03 0.00 0.00 56.01 50.35 1x1g n LEU 9 Cb 0.04 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.69 1x1g n LEU 9 CO 0.00 2.28 -0.27 -0.94 -1.33 0.00 0.00 177.39 177.13 1x1g s SER 10 N -3.35 2.53 0.67 -1.43 1.04 -1.26 -5.14 113.70 106.76 1x1g s SER 10 Ca 0.47 -1.64 -0.11 0.00 0.48 0.00 0.00 55.95 55.14 1x1g s SER 10 Cb 0.33 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1x1g s SER 10 CO -0.14 -0.34 1.05 -0.89 0.98 0.00 0.00 173.24 173.91 1x1g s THR 11 N 1.57 4.21 0.17 2.02 2.01 -1.26 -4.90 115.64 119.47 1x1g s THR 11 Ca 0.14 0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1x1g s THR 11 Cb -0.18 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1x1g s THR 11 CO -0.14 -0.94 0.00 0.55 -0.69 0.00 0.00 174.62 173.40 1x1g n VAL 12 N -2.95 0.00 -0.11 3.82 3.14 -1.26 -4.65 118.33 116.32 1x1g n VAL 12 Ca 0.07 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.38 1x1g n VAL 12 Cb 0.54 -0.17 0.02 0.00 -1.06 0.00 0.00 33.84 33.18 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 0.29 0.00 1.45 5.08 -1.96 0.03 114.58 119.47 1x1g h GLU 13 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1x1g h GLU 13 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1x1g h GLU 13 CO 0.00 0.19 -0.11 1.28 -1.00 0.00 0.00 179.01 179.37 1x1g n LEU 14 N -5.00 0.28 -2.18 1.33 4.77 -1.26 -3.93 117.00 111.00 1x1g n LEU 14 Ca 0.01 0.42 -0.18 0.00 -0.03 0.00 0.00 56.01 56.24 1x1g n LEU 14 Cb 0.13 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 1x1g n LEU 14 CO 0.28 -0.02 1.57 -0.24 -1.33 0.00 0.00 177.39 177.64 1x1g n SER 15 N -1.69 5.80 -4.41 -1.43 2.88 -0.00 -4.86 113.62 109.90 1x1g n SER 15 Ca 0.06 -2.80 -0.24 0.00 -1.33 0.00 0.00 58.87 54.56 1x1g n SER 15 Cb 0.36 -1.32 -0.11 0.00 -0.75 0.00 0.00 64.21 62.39 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 1.26 1.66 0.01 0.46 0.00 -1.25 -4.07 107.32 105.38 1x1g s GLY 16 Ca 0.60 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.35 1x1g s GLY 16 CO -0.09 -1.72 1.46 -1.59 0.00 0.00 0.00 173.10 171.16 1x1g s THR 17 N -2.06 3.55 0.06 0.90 2.01 0.16 -4.45 115.64 115.81 1x1g s THR 17 Ca 0.22 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 1x1g s THR 17 Cb -0.06 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 1x1g s THR 17 CO 0.10 -0.00 1.88 -0.69 -0.69 0.00 0.00 174.62 175.22 1x1g s VAL 18 N 2.49 2.92 -0.10 3.82 1.01 -1.26 0.80 120.40 130.07 1x1g s VAL 18 Ca 0.66 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.83 1x1g s VAL 18 Cb -0.33 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.86 1x1g s VAL 18 CO 0.28 -0.01 0.01 1.33 0.00 0.00 0.00 175.10 176.71 1x1g n VAL 19 N 5.25 0.68 -3.73 2.92 0.24 -0.49 -4.90 118.33 118.30 1x1g n VAL 19 Ca 0.19 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 1x1g n VAL 19 Cb 0.40 -0.77 -0.10 0.00 -1.47 0.00 0.00 33.84 31.90 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 -2.24 0.48 0.01 7.34 2.47 -1.19 -5.02 119.74 121.59 1x1g s LYS 20 Ca -0.07 0.53 -0.08 0.00 -1.56 0.00 0.00 55.97 54.79 1x1g s LYS 20 Cb 0.03 0.23 0.00 0.00 -1.46 0.00 0.00 37.83 36.64 1x1g s LYS 20 CO 0.38 -0.06 0.16 -0.65 0.16 0.00 0.00 175.35 175.34 1x1g s GLN 21 N 0.14 0.55 0.00 4.03 -0.21 -1.26 0.19 119.66 123.10 1x1g s GLN 21 Ca -0.01 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1x1g s GLN 21 Cb -0.03 0.23 0.00 0.00 1.00 0.00 0.00 33.01 34.21 1x1g s GLN 21 CO 0.01 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 1x1g n GLY 22 N 1.22 -0.99 3.47 3.09 0.00 -0.78 -5.01 105.19 106.19 1x1g n GLY 22 Ca -0.22 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.86 2.86 0.22 1.61 1.51 -1.26 -0.05 117.35 119.38 1x1g s TYR 23 Ca 0.00 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1x1g s TYR 23 Cb 0.00 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1x1g s TYR 23 CO 0.00 0.03 0.05 -0.51 -1.11 0.00 0.00 175.55 174.01 1x1g s LEU 24 N -0.12 1.84 -0.09 -1.29 1.43 0.31 -4.45 118.68 116.31 1x1g s LEU 24 Ca 0.00 -1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 51.80 1x1g s LEU 24 Cb -0.13 -0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.05 1x1g s LEU 24 CO 0.03 -0.66 -0.04 0.00 0.23 0.00 0.00 176.35 175.91 1x1g s ALA 25 N -3.71 3.08 -0.39 4.21 0.00 -1.21 0.20 121.76 123.95 1x1g s ALA 25 Ca 0.32 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1x1g s ALA 25 Cb 0.07 -1.36 0.06 0.00 0.00 0.00 0.00 23.12 21.89 1x1g s ALA 25 CO 0.09 0.52 0.20 0.21 0.00 0.00 0.00 175.76 176.79 1x1g s LYS 26 N -0.65 2.60 -0.09 0.00 2.20 -1.02 -1.71 119.74 121.07 1x1g s LYS 26 Ca 0.10 -1.35 -0.32 0.00 -0.36 0.00 0.00 55.97 54.04 1x1g s LYS 26 Cb -0.12 -3.67 -0.10 0.00 -1.51 0.00 0.00 37.83 32.43 1x1g s LYS 26 CO 0.02 -0.84 1.97 0.94 -0.36 0.00 0.00 175.35 177.08 1x1g n GLN 27 N 4.88 2.27 0.00 4.03 7.27 -0.93 -4.31 117.38 130.59 1x1g n GLN 27 Ca -0.11 0.80 0.00 0.00 0.07 0.00 0.00 57.00 57.77 1x1g n GLN 27 Cb 0.44 -2.81 0.00 0.00 2.41 0.00 0.00 30.24 30.28 1x1g n GLN 27 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1x1g n GLY 28 N 4.77 -0.51 3.65 1.69 0.00 -1.26 -4.82 105.19 108.71 1x1g n GLY 28 Ca 0.24 0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 1x1g n GLY 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x1g s HIS 29 N -0.53 -0.05 -0.10 1.61 2.46 -1.26 -5.07 115.29 112.34 1x1g s HIS 29 Ca 0.00 0.13 -0.32 0.00 0.47 0.00 0.00 55.06 55.34 1x1g s HIS 29 Cb 0.00 0.43 0.12 0.00 -0.13 0.00 0.00 32.58 33.00 1x1g s HIS 29 CO 0.00 -0.03 1.40 0.21 -2.47 0.00 0.00 174.74 173.86 1x1g s LYS 30 N 0.14 0.00 0.00 2.88 2.20 -1.26 -4.87 119.74 118.83 1x1g s LYS 30 Ca 0.06 -0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1x1g s LYS 30 Cb -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1x1g s LYS 30 CO -0.15 -0.00 0.60 0.54 -0.36 0.00 0.00 175.35 175.98 1x1g n ARG 31 N -0.84 0.00 0.00 4.03 5.12 -1.26 -4.70 116.66 119.01 1x1g n ARG 31 Ca 0.02 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.54 1x1g n ARG 31 Cb 0.60 -1.07 0.00 0.00 -1.16 0.00 0.00 32.46 30.83 1x1g n ARG 31 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1x1g n LYS 32 N -1.52 0.00 -0.69 5.56 4.76 -1.26 -4.90 118.16 120.11 1x1g n LYS 32 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1x1g n LYS 32 Cb 0.00 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.32 1x1g n LYS 32 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1x1g n ASN 33 N 0.00 -1.14 -2.02 4.39 0.23 -1.26 -2.12 115.26 113.34 1x1g n ASN 33 Ca 0.00 -0.97 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 1x1g n ASN 33 Cb 0.00 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.15 1x1g n ASN 33 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 1x1g n TRP 34 N -3.56 -3.52 -3.97 -2.53 8.01 -1.26 -4.38 117.44 106.22 1x1g n TRP 34 Ca 0.08 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.06 1x1g n TRP 34 Cb 0.32 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.58 1x1g n TRP 34 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1x1g s LYS 35 N -2.55 2.99 -0.07 -0.99 -0.14 -1.26 -4.98 119.74 112.74 1x1g s LYS 35 Ca 0.00 -1.05 -0.05 0.00 -1.36 0.00 0.00 55.97 53.51 1x1g s LYS 35 Cb 0.00 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 1x1g s LYS 35 CO 0.00 0.32 0.16 0.08 -0.76 0.00 0.00 175.35 175.14 1x1g s VAL 36 N -2.15 5.45 0.04 3.17 1.01 -1.26 -2.45 120.40 124.22 1x1g s VAL 36 Ca 0.36 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1x1g s VAL 36 Cb -0.08 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1x1g s VAL 36 CO 0.26 0.49 0.10 -0.13 0.00 0.00 0.00 175.10 175.82 1x1g s ARG 37 N -1.42 0.60 -0.58 2.72 0.52 0.54 -4.69 118.95 116.65 1x1g s ARG 37 Ca 0.20 -0.78 -0.25 0.00 -0.52 0.00 0.00 55.73 54.38 1x1g s ARG 37 Cb -0.12 0.24 0.04 0.00 0.52 0.00 0.00 34.95 35.62 1x1g s ARG 37 CO 0.10 -0.15 1.03 0.50 0.02 0.00 0.00 175.30 176.80 1x1g s ARG 38 N -2.73 3.35 -0.10 3.54 3.52 -0.53 0.12 118.95 126.11 1x1g s ARG 38 Ca -0.04 -0.17 -0.11 0.00 -0.13 0.00 0.00 55.73 55.28 1x1g s ARG 38 Cb -0.00 -4.06 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 1x1g s ARG 38 CO -0.05 -1.61 0.25 -0.06 -0.81 0.00 0.00 175.30 173.02 1x1g s PHE 39 N 4.34 3.58 -0.02 5.12 0.40 0.93 -0.09 117.98 132.24 1x1g s PHE 39 Ca 0.33 0.66 0.07 0.00 -0.60 0.00 0.00 56.93 57.39 1x1g s PHE 39 Cb -0.11 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.24 1x1g s PHE 39 CO 0.20 0.54 -0.24 0.54 0.70 0.00 0.00 175.22 176.96 1x1g s VAL 40 N -0.53 1.89 -0.09 -0.44 0.11 0.21 -1.86 120.40 119.69 1x1g s VAL 40 Ca 0.17 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 1x1g s VAL 40 Cb -0.13 -1.57 -0.02 0.00 -1.53 0.00 0.00 36.38 33.13 1x1g s VAL 40 CO 0.06 0.53 -0.14 -0.22 -3.33 0.00 0.00 175.10 172.00 1x1g s LEU 41 N -0.52 2.69 0.16 2.54 0.20 0.52 -2.02 118.68 122.25 1x1g s LEU 41 Ca 0.08 -0.28 0.04 0.00 0.69 0.00 0.00 54.13 54.66 1x1g s LEU 41 Cb -0.10 -1.57 -0.05 0.00 -0.43 0.00 0.00 46.19 44.05 1x1g s LEU 41 CO -0.00 0.25 -0.07 -0.13 -0.29 0.00 0.00 176.35 176.11 1x1g s ARG 42 N -0.18 1.10 0.00 1.98 0.52 -0.91 -1.40 118.95 120.05 1x1g s ARG 42 Ca -0.00 -1.49 0.01 0.00 -0.52 0.00 0.00 55.73 53.73 1x1g s ARG 42 Cb -0.13 -0.55 -0.01 0.00 0.52 0.00 0.00 34.95 34.78 1x1g s ARG 42 CO 0.03 0.01 -0.04 -1.59 0.02 0.00 0.00 175.30 173.73 1x1g s LYS 43 N -3.79 0.35 -0.44 3.54 -2.85 0.24 -3.22 119.74 113.57 1x1g s LYS 43 Ca 0.19 -0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 54.66 1x1g s LYS 43 Cb 0.04 -0.32 0.04 0.00 -2.06 0.00 0.00 37.83 35.53 1x1g s LYS 43 CO 0.02 0.08 0.64 -0.25 0.10 0.00 0.00 175.35 175.94 1x1g n ASP 44 N 2.81 -6.64 -4.35 0.03 9.92 -1.26 0.39 116.55 117.45 1x1g n ASP 44 Ca -0.14 0.17 -0.29 0.00 -0.53 0.00 0.00 54.79 53.99 1x1g n ASP 44 Cb 0.58 -3.39 0.18 0.00 -0.64 0.00 0.00 41.12 37.85 1x1g n ASP 44 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1x1g s PRO 45 N -2.52 0.38 -0.46 -0.24 0.04 -1.26 -3.86 135.00 127.08 1x1g s PRO 45 Ca 0.32 0.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.21 1x1g s PRO 45 Cb -0.05 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.77 1x1g s PRO 45 CO 0.83 -2.66 0.38 0.00 0.04 0.00 0.00 177.00 175.60 1x1g s ALA 46 N -3.37 3.55 0.23 8.56 0.00 -1.26 -4.64 121.76 124.82 1x1g s ALA 46 Ca 0.68 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 1x1g s ALA 46 Cb -0.10 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1x1g s ALA 46 CO 0.54 -1.69 0.42 -0.06 0.00 0.00 0.00 175.76 174.97 1x1g s PHE 47 N 1.66 0.40 -0.15 0.00 0.40 -1.20 -2.83 117.98 116.27 1x1g s PHE 47 Ca 0.04 -0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 55.58 1x1g s PHE 47 Cb -0.23 0.10 0.07 0.00 0.51 0.00 0.00 43.02 43.47 1x1g s PHE 47 CO 0.07 -0.92 0.18 -1.17 0.70 0.00 0.00 175.22 174.08 1x1g s LEU 48 N -3.01 -0.03 0.33 -0.37 2.96 -1.10 -2.15 118.68 115.31 1x1g s LEU 48 Ca 0.22 -0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.20 1x1g s LEU 48 Cb 0.01 0.25 -0.05 0.00 0.50 0.00 0.00 46.19 46.90 1x1g s LEU 48 CO 0.07 -0.29 -0.01 -1.00 -1.32 0.00 0.00 176.35 173.80 1x1g s HIS 49 N 2.29 2.54 -0.06 5.38 3.76 -0.86 -1.89 115.29 126.44 1x1g s HIS 49 Ca 0.04 -0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 54.43 1x1g s HIS 49 Cb -0.14 -1.43 0.02 0.00 1.11 0.00 0.00 32.58 32.14 1x1g s HIS 49 CO -0.09 0.51 0.27 1.52 -0.85 0.00 0.00 174.74 176.10 1x1g s TYR 50 N -2.51 -0.22 0.21 1.40 -0.85 -1.26 0.68 117.35 114.79 1x1g s TYR 50 Ca 0.34 0.49 0.11 0.00 -0.52 0.00 0.00 57.07 57.49 1x1g s TYR 50 Cb -0.01 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 1x1g s TYR 50 CO 0.19 -0.25 -0.20 0.71 -1.52 0.00 0.00 175.55 174.49 1x1g s TYR 51 N -0.53 2.38 -0.23 -3.49 1.51 0.87 -0.34 117.35 117.53 1x1g s TYR 51 Ca -0.06 -0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 1x1g s TYR 51 Cb -0.04 -1.15 -0.00 0.00 -0.11 0.00 0.00 41.96 40.66 1x1g s TYR 51 CO 0.02 0.54 0.88 0.34 -1.11 0.00 0.00 175.55 176.22 1x1g s ASP 52 N -2.87 6.92 0.00 2.29 2.15 -1.26 -1.45 116.67 122.45 1x1g s ASP 52 Ca 0.23 1.15 0.23 0.00 0.43 0.00 0.00 52.55 54.59 1x1g s ASP 52 Cb -0.08 -2.47 1.17 0.00 -0.30 0.00 0.00 42.92 41.25 1x1g s ASP 52 CO 0.12 -0.53 1.75 -0.81 -0.17 0.00 0.00 175.17 175.53 1x1g n PRO 53 N 5.94 0.35 -0.12 4.34 -0.04 -1.26 -3.22 135.00 140.99 1x1g n PRO 53 Ca 0.07 0.07 -0.25 0.00 -0.04 0.00 0.00 63.50 63.34 1x1g n PRO 53 Cb 0.47 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.27 1.94 -3.14 3.54 2.88 -1.26 -4.98 113.62 111.33 1x1g n SER 54 Ca 0.11 0.30 -0.18 0.00 -1.33 0.00 0.00 58.87 57.77 1x1g n SER 54 Cb 0.18 -0.82 0.14 0.00 -0.75 0.00 0.00 64.21 62.96 1x1g n SER 54 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x1g n LYS 55 N -4.13 -1.69 -3.35 -1.46 4.76 -1.20 -5.08 118.16 106.02 1x1g n LYS 55 Ca -0.45 -1.13 -0.11 0.00 -2.87 0.00 0.00 58.31 53.75 1x1g n LYS 55 Cb 0.85 -0.92 -0.08 0.00 -1.84 0.00 0.00 35.03 33.04 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 -4.60 0.36 0.04 1.97 2.02 -1.26 -4.89 118.70 112.33 1x1g s GLU 56 Ca 0.44 0.25 -0.22 0.00 0.02 0.00 0.00 54.97 55.47 1x1g s GLU 56 Cb -0.03 -0.48 0.05 0.00 0.10 0.00 0.00 34.13 33.77 1x1g s GLU 56 CO 0.33 -0.85 0.50 -2.00 0.02 0.00 0.00 175.26 173.25 1x1g s GLU 57 N 2.50 1.00 -1.35 1.61 2.12 -1.26 -5.06 118.70 118.27 1x1g s GLU 57 Ca 0.11 -0.24 -0.10 0.00 0.36 0.00 0.00 54.97 55.10 1x1g s GLU 57 Cb -0.14 0.46 0.12 0.00 0.26 0.00 0.00 34.13 34.82 1x1g s GLU 57 CO -0.24 -0.36 2.09 0.09 -0.54 0.00 0.00 175.26 176.31 1x1g n ASN 58 N 0.47 5.45 0.00 -1.70 3.02 -1.26 -4.83 115.26 116.41 1x1g n ASN 58 Ca -0.18 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.34 1x1g n ASN 58 Cb 0.60 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1x1g n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1x1g n ARG 59 N 4.04 0.00 -1.54 3.52 1.74 -1.26 -5.17 116.66 117.99 1x1g n ARG 59 Ca 0.48 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.27 1x1g n ARG 59 Cb 0.34 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.91 1x1g n ARG 59 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x1g s PRO 60 N -2.00 1.30 -0.04 5.56 0.04 -1.26 -4.86 135.00 133.74 1x1g s PRO 60 Ca 0.00 0.35 0.11 0.00 0.04 0.00 0.00 61.00 61.50 1x1g s PRO 60 Cb 0.00 -1.85 -0.23 0.00 0.04 0.00 0.00 34.50 32.46 1x1g s PRO 60 CO 0.00 -2.10 0.69 0.28 0.04 0.00 0.00 177.00 175.91 1x1g h VAL 61 N -1.43 0.89 0.00 -0.36 2.07 -1.04 -3.48 116.25 112.90 1x1g h VAL 61 Ca -0.50 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.29 1x1g h VAL 61 Cb 1.32 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1x1g h VAL 61 CO 0.62 0.54 0.00 0.61 0.02 0.00 0.00 177.57 179.36 1x1g n GLY 62 N 1.57 2.38 0.00 2.17 0.00 -1.22 -5.07 105.19 105.02 1x1g n GLY 62 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.53 3.32 -0.02 0.00 -1.26 -4.65 105.19 105.11 1x1g n GLY 63 Ca 0.00 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.15 1.70 0.55 1.61 -0.71 -0.79 -4.96 117.98 115.22 1x1g s PHE 64 Ca 0.00 -0.52 -0.19 0.00 -1.04 0.00 0.00 56.93 55.18 1x1g s PHE 64 Cb 0.00 -0.84 -0.06 0.00 -1.21 0.00 0.00 43.02 40.92 1x1g s PHE 64 CO 0.00 0.30 1.13 0.45 -1.34 0.00 0.00 175.22 175.76 1x1g s SER 65 N -2.81 5.68 -0.19 1.98 0.15 -1.26 -2.71 113.70 114.53 1x1g s SER 65 Ca 0.16 2.19 0.05 0.00 0.70 0.00 0.00 55.95 59.04 1x1g s SER 65 Cb -0.04 -2.58 -0.15 0.00 -1.71 0.00 0.00 66.02 61.54 1x1g s SER 65 CO 0.06 -1.25 -0.12 0.18 1.20 0.00 0.00 173.24 173.31 1x1g n LEU 66 N -1.33 2.28 -0.36 3.45 4.77 -1.13 -4.37 117.00 120.31 1x1g n LEU 66 Ca 0.12 -0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 1x1g n LEU 66 Cb 0.51 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1x1g n LEU 66 CO 0.42 0.74 0.47 0.54 -1.33 0.00 0.00 177.39 178.23 1x1g n ARG 67 N -2.97 -0.30 -2.02 3.23 5.12 -1.24 0.42 116.66 118.89 1x1g n ARG 67 Ca -0.34 1.34 -0.39 0.00 -1.93 0.00 0.00 57.85 56.54 1x1g n ARG 67 Cb 0.91 -1.98 0.04 0.00 -1.16 0.00 0.00 32.46 30.27 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 -1.31 5.60 2.90 -0.13 0.00 -1.26 -4.66 105.19 106.33 1x1g n GLY 68 Ca 0.05 -2.51 -0.22 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.50 1.20 -3.68 1.61 3.41 0.17 -0.78 113.62 115.04 1x1g n SER 69 Ca 0.52 -2.88 -0.13 0.00 -0.26 0.00 0.00 58.87 56.12 1x1g n SER 69 Cb 0.27 0.89 -0.07 0.00 -0.26 0.00 0.00 64.21 65.04 1x1g n SER 69 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x1g s LEU 70 N 0.00 0.45 -0.00 1.04 1.98 0.58 -4.86 118.68 117.87 1x1g s LEU 70 Ca 0.18 0.06 0.00 0.00 -2.89 0.00 0.00 54.13 51.48 1x1g s LEU 70 Cb 0.01 1.67 -0.00 0.00 0.66 0.00 0.00 46.19 48.53 1x1g s LEU 70 CO 0.13 -0.61 -0.02 0.54 -1.89 0.00 0.00 176.35 174.50 1x1g s VAL 71 N -2.14 0.12 0.24 1.68 0.11 -1.26 0.11 120.40 119.26 1x1g s VAL 71 Ca -0.07 -0.08 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1x1g s VAL 71 Cb -0.02 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 1x1g s VAL 71 CO -0.00 0.02 0.29 -0.94 -3.33 0.00 0.00 175.10 171.14 1x1g s SER 72 N -0.06 0.26 0.20 3.54 1.04 0.26 -4.96 113.70 113.99 1x1g s SER 72 Ca 0.00 -1.28 0.08 0.00 0.48 0.00 0.00 55.95 55.23 1x1g s SER 72 Cb -0.01 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1x1g s SER 72 CO -0.00 -1.00 -0.00 0.00 0.98 0.00 0.00 173.24 173.21 1x1g s ALA 73 N -3.95 3.17 -0.12 5.32 0.00 -1.26 -1.35 121.76 123.58 1x1g s ALA 73 Ca 0.33 -1.46 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 1x1g s ALA 73 Cb 0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1x1g s ALA 73 CO 0.13 0.41 0.09 -0.51 0.00 0.00 0.00 175.76 175.89 1x1g s LEU 74 N -3.16 4.11 0.51 0.00 1.43 -1.23 -4.84 118.68 115.49 1x1g s LEU 74 Ca 0.28 0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.81 1x1g s LEU 74 Cb -0.08 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.20 1x1g s LEU 74 CO 0.19 0.38 0.70 -1.61 0.23 0.00 0.00 176.35 176.23 1x1g s GLU 75 N -0.84 2.53 0.48 1.70 2.02 -1.26 -4.77 118.70 118.56 1x1g s GLU 75 Ca 0.13 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1x1g s GLU 75 Cb -0.12 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1x1g s GLU 75 CO 0.03 -0.60 0.00 -0.25 0.02 0.00 0.00 175.26 174.46 1x1g n ASP 76 N -2.08 -7.44 -4.89 -0.19 8.00 -1.26 -4.86 116.55 103.83 1x1g n ASP 76 Ca 0.12 1.29 -0.23 0.00 0.71 0.00 0.00 54.79 56.68 1x1g n ASP 76 Cb 0.60 -4.09 -0.02 0.00 -0.02 0.00 0.00 41.12 37.60 1x1g n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x1g s ASN 77 N -3.96 4.89 -0.44 -2.24 2.20 -1.26 -4.80 114.94 109.34 1x1g s ASN 77 Ca 0.00 -0.92 -0.06 0.00 -0.94 0.00 0.00 52.86 50.93 1x1g s ASN 77 Cb 0.00 -0.18 0.01 0.00 -2.00 0.00 0.00 41.25 39.07 1x1g s ASN 77 CO 0.00 -0.85 0.49 0.61 -2.94 0.00 0.00 177.10 174.41 1x1g n GLY 78 N -1.66 -1.09 1.65 0.45 0.00 -1.26 -4.81 105.19 98.46 1x1g n GLY 78 Ca 0.03 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.93 -5.33 0.00 1.61 0.31 -1.25 -4.99 118.33 107.75 1x1g n VAL 79 Ca 0.05 2.35 0.00 0.00 -0.01 0.00 0.00 64.34 66.73 1x1g n VAL 79 Cb 0.42 -3.21 0.00 0.00 -0.91 0.00 0.00 33.84 30.14 1x1g n VAL 79 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1x1g n PRO 80 N 0.42 0.00 -3.52 5.55 -0.04 -1.26 -4.93 135.00 131.22 1x1g n PRO 80 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1x1g n PRO 80 Cb 0.00 -0.13 -0.14 0.00 -0.04 0.00 0.00 33.50 33.19 1x1g n PRO 80 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x1g s THR 81 N -0.00 -0.02 -1.13 0.52 2.01 -1.26 -4.92 115.64 110.83 1x1g s THR 81 Ca 0.00 -0.99 -0.24 0.00 0.31 0.00 0.00 61.69 60.76 1x1g s THR 81 Cb 0.00 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.51 1x1g s THR 81 CO 0.00 -0.79 0.74 0.61 -0.69 0.00 0.00 174.62 174.49 1x1g n GLY 82 N 4.95 -0.97 3.51 4.40 0.00 -1.26 -4.97 105.19 110.85 1x1g n GLY 82 Ca -0.01 0.42 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 1x1g n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1g s VAL 83 N -3.44 2.90 0.89 1.61 1.01 -1.26 -5.10 120.40 117.00 1x1g s VAL 83 Ca 0.44 -1.65 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 1x1g s VAL 83 Cb -0.19 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1x1g s VAL 83 CO 0.90 -0.02 0.27 0.29 0.00 0.00 0.00 175.10 176.55 1x1g n LYS 84 N 0.42 -0.09 0.00 2.72 4.76 -1.26 -4.62 118.16 120.08 1x1g n LYS 84 Ca -0.13 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1x1g n LYS 84 Cb 0.54 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 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 1.81 1.49 0.22 0.72 0.00 -0.90 -3.87 105.19 104.65 1x1g n GLY 85 Ca 0.06 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1x1g n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x1g n ASN 86 N -1.13 0.47 -0.25 1.61 4.13 -1.26 -4.92 115.26 113.91 1x1g n ASN 86 Ca 0.00 -1.75 0.00 0.00 1.68 0.00 0.00 54.58 54.51 1x1g n ASN 86 Cb 0.00 -0.13 -0.00 0.00 -1.54 0.00 0.00 39.78 38.11 1x1g n ASN 86 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1x1g n VAL 87 N -0.21 0.00 -0.08 2.41 0.24 -1.25 -3.95 118.33 115.49 1x1g n VAL 87 Ca 0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.19 1x1g n VAL 87 Cb 0.57 -0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.85 1x1g n VAL 87 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1x1g h GLN 88 N 0.00 0.00 0.00 7.34 1.08 -1.98 -3.48 115.11 118.08 1x1g h GLN 88 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1x1g h GLN 88 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1x1g h GLN 88 CO 0.00 0.71 0.00 0.41 -0.95 0.00 0.00 178.83 179.00 1x1g n GLY 89 N 1.58 0.84 2.62 3.46 0.00 -1.26 -4.93 105.19 107.51 1x1g n GLY 89 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1x1g n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x1g n ASN 90 N 0.00 2.18 -2.71 1.61 4.13 -1.26 -4.75 115.26 114.45 1x1g n ASN 90 Ca 0.00 -2.87 0.00 0.00 1.68 0.00 0.00 54.58 53.39 1x1g n ASN 90 Cb 0.00 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 1x1g n ASN 90 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x1g n LEU 91 N -0.20 0.00 -3.53 3.41 4.77 -1.26 -4.66 117.00 115.52 1x1g n LEU 91 Ca 0.16 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1x1g n LEU 91 Cb 0.79 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 1x1g n LEU 91 CO 0.27 -0.29 0.61 0.72 -1.33 0.00 0.00 177.39 177.36 1x1g s PHE 92 N -0.41 -0.49 0.27 -1.77 -0.71 -0.92 -3.53 117.98 110.43 1x1g s PHE 92 Ca 0.00 0.75 0.08 0.00 -1.04 0.00 0.00 56.93 56.72 1x1g s PHE 92 Cb 0.00 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1x1g s PHE 92 CO 0.00 -0.51 0.10 -1.59 -1.34 0.00 0.00 175.22 171.88 1x1g s LYS 93 N -1.59 2.57 -0.24 1.99 0.00 -0.46 0.24 119.74 122.25 1x1g s LYS 93 Ca -0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 55.97 54.62 1x1g s LYS 93 Cb -0.00 -2.33 0.08 0.00 0.00 0.00 0.00 37.83 35.57 1x1g s LYS 93 CO 0.02 0.34 0.08 0.08 0.00 0.00 0.00 175.35 175.87 1x1g s VAL 94 N -2.26 0.43 -0.32 1.79 1.01 0.09 -0.57 120.40 120.56 1x1g s VAL 94 Ca 0.33 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 61.30 1x1g s VAL 94 Cb -0.07 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1x1g s VAL 94 CO 0.22 -0.45 0.79 -0.63 0.00 0.00 0.00 175.10 175.03 1x1g s ILE 95 N 1.88 4.77 0.62 2.22 1.01 0.12 -0.48 121.20 131.33 1x1g s ILE 95 Ca 0.04 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1x1g s ILE 95 Cb -0.17 -4.17 0.07 0.00 0.01 0.00 0.00 42.46 38.21 1x1g s ILE 95 CO -0.19 -0.31 0.87 0.42 0.00 0.00 0.00 174.94 175.73 1x1g s THR 96 N 3.00 2.44 0.26 2.92 -4.23 -0.72 0.21 115.64 119.53 1x1g s THR 96 Ca 0.32 -0.62 0.28 0.00 -1.18 0.00 0.00 61.69 60.49 1x1g s THR 96 Cb -0.14 -2.81 0.28 0.00 1.34 0.00 0.00 72.50 71.17 1x1g s THR 96 CO 0.14 0.00 1.84 0.50 -0.54 0.00 0.00 174.62 176.55 1x1g h LYS 97 N -0.19 0.00 -0.79 3.99 3.64 -1.31 0.66 116.57 122.58 1x1g h LYS 97 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1x1g h LYS 97 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1x1g h LYS 97 CO 0.48 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 174.19 1x1g n ASP 98 N -2.57 2.72 -3.07 4.20 -0.08 -1.26 -4.84 116.55 111.65 1x1g n ASP 98 Ca -0.02 -2.33 -0.18 0.00 -1.51 0.00 0.00 54.79 50.76 1x1g n ASP 98 Cb 0.18 -0.54 -0.01 0.00 2.34 0.00 0.00 41.12 43.09 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 0.25 -3.03 -4.48 1.67 5.75 0.23 -4.89 116.55 112.06 1x1g n ASP 99 Ca 0.11 -0.14 -0.37 0.00 -0.01 0.00 0.00 54.79 54.37 1x1g n ASP 99 Cb 0.58 -2.57 -0.12 0.00 -1.03 0.00 0.00 41.12 37.98 1x1g n ASP 99 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x1g s THR 100 N -2.69 4.63 -0.67 2.12 2.01 -1.23 -4.87 115.64 114.94 1x1g s THR 100 Ca 0.26 -0.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 1x1g s THR 100 Cb -0.14 -3.23 0.06 0.00 0.01 0.00 0.00 72.50 69.20 1x1g s THR 100 CO 0.32 0.24 1.04 -1.00 -0.69 0.00 0.00 174.62 174.54 1x1g s HIS 101 N 1.65 2.59 -0.63 4.92 3.76 -1.26 -1.75 115.29 124.57 1x1g s HIS 101 Ca 0.06 -0.37 -0.21 0.00 -0.15 0.00 0.00 55.06 54.39 1x1g s HIS 101 Cb -0.16 -4.36 0.08 0.00 1.11 0.00 0.00 32.58 29.26 1x1g s HIS 101 CO 0.06 -1.73 0.85 0.71 -0.85 0.00 0.00 174.74 173.79 1x1g s TYR 102 N 4.48 2.81 -0.30 1.40 2.02 0.36 -4.77 117.35 123.34 1x1g s TYR 102 Ca 0.26 -0.72 -0.29 0.00 -0.37 0.00 0.00 57.07 55.95 1x1g s TYR 102 Cb -0.14 -4.17 -0.00 0.00 -0.40 0.00 0.00 41.96 37.25 1x1g s TYR 102 CO 0.12 -1.50 1.37 0.71 -1.57 0.00 0.00 175.55 174.69 1x1g s TYR 103 N 3.48 2.55 0.26 2.71 1.51 -1.26 -0.73 117.35 125.87 1x1g s TYR 103 Ca 0.18 0.79 0.09 0.00 -1.01 0.00 0.00 57.07 57.12 1x1g s TYR 103 Cb -0.20 -3.98 -0.04 0.00 -0.11 0.00 0.00 41.96 37.63 1x1g s TYR 103 CO 0.09 -1.95 0.03 0.42 -1.11 0.00 0.00 175.55 173.03 1x1g s ILE 104 N 4.66 3.64 -0.03 2.71 1.01 0.14 -2.19 121.20 131.14 1x1g s ILE 104 Ca 0.59 -1.82 0.04 0.00 0.00 0.00 0.00 60.65 59.46 1x1g s ILE 104 Cb -0.18 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1x1g s ILE 104 CO 0.25 -0.37 -0.13 -1.58 0.00 0.00 0.00 174.94 173.11 1x1g s GLN 105 N -3.71 2.47 0.06 2.79 0.74 -0.70 -2.15 119.66 119.16 1x1g s GLN 105 Ca 0.32 -0.73 0.02 0.00 0.05 0.00 0.00 55.36 55.02 1x1g s GLN 105 Cb -0.07 -2.39 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 1x1g s GLN 105 CO 0.21 0.61 0.07 0.00 -0.55 0.00 0.00 175.29 175.63 1x1g s ALA 106 N -0.81 3.55 0.18 1.58 0.00 -1.26 -3.29 121.76 121.71 1x1g s ALA 106 Ca 0.13 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 1x1g s ALA 106 Cb -0.11 -1.46 0.12 0.00 0.00 0.00 0.00 23.12 21.67 1x1g s ALA 106 CO 0.02 0.73 1.79 0.77 0.00 0.00 0.00 175.76 179.07 1x1g h SER 107 N 3.51 0.37 -3.93 0.00 0.02 -1.89 -3.46 113.55 108.16 1x1g h SER 107 Ca -0.47 0.02 -0.33 0.00 -0.84 0.00 0.00 61.79 60.17 1x1g h SER 107 Cb 1.17 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.58 1x1g h SER 107 CO 0.65 0.26 -0.31 -0.24 -1.14 0.00 0.00 176.83 176.04 1x1g n SER 108 N -4.88 -0.25 -0.11 3.07 2.88 -1.26 -4.99 113.62 108.07 1x1g n SER 108 Ca 0.04 -2.46 -0.03 0.00 -1.33 0.00 0.00 58.87 55.08 1x1g n SER 108 Cb 0.12 1.06 0.19 0.00 -0.75 0.00 0.00 64.21 64.83 1x1g n SER 108 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1x1g h LYS 109 N 0.00 0.79 0.12 -1.46 3.11 -1.88 -2.69 116.57 114.56 1x1g h LYS 109 Ca -0.16 -0.17 -0.01 0.00 -2.81 0.00 0.00 60.65 57.50 1x1g h LYS 109 Cb 0.80 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 1x1g h LYS 109 CO 0.24 0.74 -0.06 0.00 -2.81 0.00 0.00 179.45 177.57 1x1g h ALA 110 N 1.34 -0.16 -0.90 5.00 0.00 -1.96 -3.09 119.26 119.49 1x1g h ALA 110 Ca 0.16 -0.25 0.36 0.00 0.00 0.00 0.00 54.91 55.18 1x1g h ALA 110 Cb 0.33 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.02 1x1g h ALA 110 CO 0.00 -0.23 0.41 -1.91 0.00 0.00 0.00 179.25 177.52 1x1g n GLU 111 N -4.86 -0.06 0.04 0.00 4.07 -1.16 -0.25 120.64 118.43 1x1g n GLU 111 Ca -0.07 1.27 -0.02 0.00 -0.06 0.00 0.00 57.16 58.27 1x1g n GLU 111 Cb 0.27 -2.23 -0.01 0.00 -0.06 0.00 0.00 31.44 29.42 1x1g n GLU 111 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1x1g h ARG 112 N 0.00 -0.11 -1.00 5.31 2.43 -1.50 0.46 114.38 119.97 1x1g h ARG 112 Ca 0.73 0.01 0.41 0.00 -0.81 0.00 0.00 59.98 60.31 1x1g h ARG 112 Cb 1.88 0.03 -0.18 0.00 -0.42 0.00 0.00 29.97 31.28 1x1g h ARG 112 CO -0.72 -0.07 0.51 0.00 -1.51 0.00 0.00 179.97 178.18 1x1g h ALA 113 N -1.92 2.10 0.53 2.80 0.00 -0.87 1.17 119.26 123.08 1x1g h ALA 113 Ca -0.01 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1x1g h ALA 113 Cb 0.09 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1x1g h ALA 113 CO 0.02 -0.92 -0.26 0.93 0.00 0.00 0.00 179.25 179.03 1x1g h GLU 114 N 0.02 -0.69 -0.29 0.00 4.39 -0.52 0.62 114.58 118.11 1x1g h GLU 114 Ca 0.83 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.66 1x1g h GLU 114 Cb 2.16 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.96 1x1g h GLU 114 CO -0.77 -0.41 0.40 -1.49 -1.16 0.00 0.00 179.01 175.58 1x1g h TRP 115 N -1.13 0.00 0.00 4.33 4.06 0.41 0.18 115.95 123.80 1x1g h TRP 115 Ca -0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.88 1x1g h TRP 115 Cb 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1x1g h TRP 115 CO 0.01 0.00 0.00 -0.89 -3.56 0.00 0.00 178.44 174.00 1x1g n ILE 116 N -3.52 0.00 -0.25 1.49 5.41 0.36 -3.06 119.36 119.80 1x1g n ILE 116 Ca 0.04 0.15 0.23 0.00 1.00 0.00 0.00 62.75 64.18 1x1g n ILE 116 Cb 0.53 -0.51 0.43 0.00 -0.71 0.00 0.00 39.64 39.39 1x1g n ILE 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x1g n GLU 117 N -1.02 -0.05 0.07 0.38 2.13 0.21 0.23 120.64 122.60 1x1g n GLU 117 Ca 0.00 1.09 -0.04 0.00 0.66 0.00 0.00 57.16 58.88 1x1g n GLU 117 Cb 0.00 -1.94 -0.02 0.00 0.27 0.00 0.00 31.44 29.75 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 1.57 -0.90 -0.92 4.31 0.00 -0.80 -2.04 119.26 120.49 1x1g h ALA 118 Ca 0.64 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.60 1x1g h ALA 118 Cb 1.67 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 19.61 1x1g h ALA 118 CO -0.62 -0.90 -0.58 0.82 0.00 0.00 0.00 179.25 177.97 1x1g h ILE 119 N -0.21 0.00 -0.94 0.00 2.04 -0.14 1.37 117.51 119.62 1x1g h ILE 119 Ca -0.02 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.20 1x1g h ILE 119 Cb 0.18 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.09 1x1g h ILE 119 CO 0.00 0.00 0.38 0.29 0.00 0.00 0.00 178.15 178.82 1x1g n LYS 120 N -5.28 -0.06 0.41 2.37 4.01 -0.62 0.11 118.16 119.10 1x1g n LYS 120 Ca 0.02 1.32 -0.19 0.00 -0.51 0.00 0.00 58.31 58.95 1x1g n LYS 120 Cb 0.28 -2.30 -0.09 0.00 -0.51 0.00 0.00 35.03 32.40 1x1g n LYS 120 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1x1g h LYS 121 N 0.00 -1.05 -0.04 1.97 1.57 0.26 -2.00 116.57 117.28 1x1g h LYS 121 Ca 0.74 0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.62 1x1g h LYS 121 Cb 1.86 0.24 -0.06 0.00 0.08 0.00 0.00 32.23 34.35 1x1g h LYS 121 CO -0.76 -0.70 -0.41 -0.07 -0.57 0.00 0.00 179.45 176.94 1x1g h LEU 122 N -1.09 -1.26 0.00 2.94 -0.00 0.14 0.58 115.31 116.62 1x1g h LEU 122 Ca -0.10 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1x1g h LEU 122 Cb 0.86 0.50 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 1x1g h LEU 122 CO 0.13 -0.44 0.00 0.35 -0.00 0.00 0.00 178.44 178.47 1x1g n THR 123 N -5.44 0.00 -0.36 0.22 -2.24 0.51 -3.82 114.28 103.16 1x1g n THR 123 Ca -0.05 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.66 1x1g n THR 123 Cb 0.36 -0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 67.88 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 0.00 -0.80 0.00 3.42 2.88 -0.76 -4.76 113.62 113.60 1x1g n SER 124 Ca 0.00 1.55 0.00 0.00 -1.33 0.00 0.00 58.87 59.09 1x1g n SER 124 Cb 0.00 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 -1.29 4.40 0.00 0.46 0.00 0.20 -5.06 105.19 103.90 1x1g n GLY 125 Ca 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1x1g n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x1g n PRO 126 N -1.90 0.47 -3.32 1.61 -0.04 -1.10 -4.61 135.00 126.10 1x1g n PRO 126 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1x1g n PRO 126 Cb 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.48 1x1g n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x1g n SER 127 N -1.06 -6.14 0.04 3.54 2.88 -1.26 -4.95 113.62 106.67 1x1g n SER 127 Ca 0.00 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1x1g n SER 127 Cb 0.00 -2.15 0.00 0.00 -0.75 0.00 0.00 64.21 61.31 1x1g n SER 127 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x1g n SER 128 N 0.26 0.36 0.00 -3.46 2.88 -1.26 -5.25 113.62 107.15 1x1g n SER 128 Ca -0.04 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1x1g n SER 128 Cb 0.58 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42