#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 -5.53 -3.62 1.61 7.64 -1.26 -5.07 113.62 107.40 1x1g n SER 2 Ca 0.00 0.97 -0.04 0.00 1.01 0.00 0.00 58.87 60.80 1x1g n SER 2 Cb 0.00 -3.41 -0.04 0.00 -1.01 0.00 0.00 64.21 59.75 1x1g n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x1g s SER 3 N -6.31 -0.13 0.26 6.43 0.15 -1.26 -5.19 113.70 107.64 1x1g s SER 3 Ca 0.00 0.10 -0.21 0.00 0.70 0.00 0.00 55.95 56.54 1x1g s SER 3 Cb 0.00 0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1x1g s SER 3 CO 0.00 -0.15 0.82 -0.83 1.20 0.00 0.00 173.24 174.28 1x1g s GLY 4 N -1.38 -0.04 0.29 9.45 0.00 -1.26 -5.10 107.32 109.29 1x1g s GLY 4 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1x1g s GLY 4 CO -0.05 0.07 0.00 -1.26 0.00 0.00 0.00 173.10 171.86 1x1g n SER 5 N -0.68 -0.68 -1.30 1.64 2.88 -1.26 -5.17 113.62 109.07 1x1g n SER 5 Ca -0.05 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1x1g n SER 5 Cb 0.60 0.83 0.00 0.00 -0.75 0.00 0.00 64.21 64.89 1x1g n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x1g n SER 6 N -3.40 -7.03 0.00 -3.46 2.88 -1.26 -5.02 113.62 96.32 1x1g n SER 6 Ca 0.00 1.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 1x1g n SER 6 Cb 0.00 -3.92 0.00 0.00 -0.75 0.00 0.00 64.21 59.54 1x1g n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1g n GLY 7 N -1.94 4.68 0.25 0.46 0.00 -1.26 -4.97 105.19 102.41 1x1g n GLY 7 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 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 1.78 0.03 1.61 2.88 -1.26 -5.07 113.62 113.59 1x1g n SER 8 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1x1g n SER 8 Cb 0.00 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 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 -4.27 -0.54 -4.59 2.46 4.77 -1.26 -5.11 117.00 108.45 1x1g n LEU 9 Ca -0.16 0.14 -0.35 0.00 -0.03 0.00 0.00 56.01 55.61 1x1g n LEU 9 Cb 0.48 0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 42.29 1x1g n LEU 9 CO 0.16 -0.26 -0.25 -0.55 -1.33 0.00 0.00 177.39 175.16 1x1g s SER 10 N -1.17 5.57 0.55 -1.43 0.15 -1.26 -4.94 113.70 111.18 1x1g s SER 10 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1x1g s SER 10 Cb 0.00 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1x1g s SER 10 CO 0.00 0.11 0.00 0.41 1.20 0.00 0.00 173.24 174.96 1x1g n THR 11 N 3.98 -5.29 0.08 6.45 -1.04 -1.26 -5.01 114.28 112.20 1x1g n THR 11 Ca -0.16 2.42 0.00 0.00 -2.04 0.00 0.00 64.05 64.26 1x1g n THR 11 Cb 0.52 -3.36 0.00 0.00 -1.82 0.00 0.00 70.33 65.67 1x1g n THR 11 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1x1g n VAL 12 N -1.03 0.00 0.10 12.58 3.14 -1.26 -4.52 118.33 127.34 1x1g n VAL 12 Ca 0.00 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.39 1x1g n VAL 12 Cb 0.04 -0.25 -0.03 0.00 -1.06 0.00 0.00 33.84 32.54 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 0.00 -0.00 1.45 5.08 -1.95 -3.12 114.58 116.03 1x1g h GLU 13 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x1g h GLU 13 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x1g h GLU 13 CO 0.00 0.49 -0.02 1.28 -1.00 0.00 0.00 179.01 179.76 1x1g n LEU 14 N -3.13 0.43 -2.56 1.33 4.32 -1.26 -4.20 117.00 111.94 1x1g n LEU 14 Ca -0.02 -0.09 -0.24 0.00 -0.02 0.00 0.00 56.01 55.64 1x1g n LEU 14 Cb 0.79 -0.06 -0.10 0.00 -1.62 0.00 0.00 43.42 42.43 1x1g n LEU 14 CO 0.42 0.07 2.18 -1.20 -1.22 0.00 0.00 177.39 177.65 1x1g n SER 15 N -0.75 6.64 -4.21 -1.43 7.64 -1.18 -4.84 113.62 115.47 1x1g n SER 15 Ca 0.20 -2.66 -0.20 0.00 1.01 0.00 0.00 58.87 57.22 1x1g n SER 15 Cb 0.21 -1.43 -0.12 0.00 -1.01 0.00 0.00 64.21 61.86 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 1.68 1.00 -0.11 0.23 0.00 -1.26 -3.32 107.32 105.55 1x1g s GLY 16 Ca 0.66 -1.13 -0.29 0.00 0.00 0.00 0.00 44.72 43.96 1x1g s GLY 16 CO -0.06 -1.15 1.59 -1.59 0.00 0.00 0.00 173.10 171.89 1x1g s THR 17 N -1.44 3.71 -0.22 0.90 2.01 0.49 -4.23 115.64 116.85 1x1g s THR 17 Ca 0.02 0.84 -0.40 0.00 0.31 0.00 0.00 61.69 62.47 1x1g s THR 17 Cb -0.09 -3.58 -0.16 0.00 0.01 0.00 0.00 72.50 68.68 1x1g s THR 17 CO 0.03 -0.12 1.67 0.52 -0.69 0.00 0.00 174.62 176.03 1x1g n VAL 18 N 5.67 0.24 0.05 3.82 0.31 -1.26 0.05 118.33 127.21 1x1g n VAL 18 Ca 0.17 -0.04 0.05 0.00 -0.01 0.00 0.00 64.34 64.51 1x1g n VAL 18 Cb 0.44 -1.12 -0.08 0.00 -0.91 0.00 0.00 33.84 32.16 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 4.20 0.00 -3.64 2.52 0.24 0.15 -4.85 118.33 116.96 1x1g n VAL 19 Ca 0.25 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1x1g n VAL 19 Cb 0.13 0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.69 0.47 0.01 7.34 2.47 -1.05 -5.00 119.74 121.29 1x1g s LYS 20 Ca -0.03 0.54 -0.03 0.00 -1.56 0.00 0.00 55.97 54.89 1x1g s LYS 20 Cb 0.07 0.23 -0.01 0.00 -1.46 0.00 0.00 37.83 36.66 1x1g s LYS 20 CO 0.46 -0.06 0.05 -0.65 0.16 0.00 0.00 175.35 175.30 1x1g s GLN 21 N 0.18 0.40 0.00 4.03 -0.21 -1.26 0.17 119.66 122.96 1x1g s GLN 21 Ca 0.03 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 54.88 1x1g s GLN 21 Cb -0.05 0.16 0.00 0.00 1.00 0.00 0.00 33.01 34.12 1x1g s GLN 21 CO -0.07 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.43 1x1g n GLY 22 N 1.48 -2.77 3.36 3.09 0.00 -0.98 -5.02 105.19 104.36 1x1g n GLY 22 Ca -0.23 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.01 2.96 0.44 1.61 1.51 -1.26 -0.91 117.35 119.69 1x1g s TYR 23 Ca 0.00 -0.75 0.06 0.00 -1.01 0.00 0.00 57.07 55.37 1x1g s TYR 23 Cb 0.00 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.74 1x1g s TYR 23 CO 0.00 -0.41 0.09 -0.51 -1.11 0.00 0.00 175.55 173.61 1x1g s LEU 24 N 1.18 2.84 -0.28 -1.29 1.43 0.85 -4.42 118.68 118.99 1x1g s LEU 24 Ca 0.02 -1.32 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 1x1g s LEU 24 Cb -0.14 -1.07 0.07 0.00 0.03 0.00 0.00 46.19 45.08 1x1g s LEU 24 CO -0.01 -0.60 -0.06 0.00 0.23 0.00 0.00 176.35 175.92 1x1g s ALA 25 N -2.71 2.64 0.44 4.21 0.00 -1.13 0.20 121.76 125.41 1x1g s ALA 25 Ca 0.32 -1.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.07 1x1g s ALA 25 Cb 0.06 -1.70 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 1x1g s ALA 25 CO 0.17 -1.35 1.02 0.21 0.00 0.00 0.00 175.76 175.81 1x1g s LYS 26 N 1.05 4.04 -0.11 0.00 2.20 -1.09 -2.51 119.74 123.32 1x1g s LYS 26 Ca -0.03 1.36 0.04 0.00 -0.36 0.00 0.00 55.97 56.98 1x1g s LYS 26 Cb -0.20 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 1x1g s LYS 26 CO -0.06 -0.22 -0.23 -1.14 -0.36 0.00 0.00 175.35 173.33 1x1g s GLN 27 N -2.92 3.04 0.00 4.03 -0.44 -0.91 -2.08 119.66 120.37 1x1g s GLN 27 Ca 0.62 -0.87 0.00 0.00 -2.50 0.00 0.00 55.36 52.61 1x1g s GLN 27 Cb -0.17 -2.34 0.00 0.00 -1.64 0.00 0.00 33.01 28.86 1x1g s GLN 27 CO 0.21 0.12 0.00 0.41 0.50 0.00 0.00 175.29 176.53 1x1g n GLY 28 N 3.69 0.36 0.00 2.59 0.00 -1.14 -4.50 105.19 106.19 1x1g n GLY 28 Ca -0.19 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1x1g n GLY 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x1g n HIS 29 N 0.00 0.00 -1.51 1.61 -0.00 -1.26 -4.95 115.22 109.11 1x1g n HIS 29 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 1x1g n HIS 29 Cb 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 29.89 1x1g n HIS 29 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1x1g n LYS 30 N -0.04 2.48 0.00 1.57 4.81 -1.26 -4.08 118.16 121.65 1x1g n LYS 30 Ca 0.00 -2.81 0.00 0.00 -0.87 0.00 0.00 58.31 54.63 1x1g n LYS 30 Cb 0.00 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 32.92 1x1g n LYS 30 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1x1g n ARG 31 N -0.04 0.00 0.00 1.64 0.63 -1.26 -4.96 116.66 112.66 1x1g n ARG 31 Ca 0.51 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 1x1g n ARG 31 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 1x1g n ARG 31 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1x1g n LYS 32 N 0.00 0.00 0.00 -0.14 4.81 -1.26 -4.77 118.16 116.80 1x1g n LYS 32 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1x1g n LYS 32 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1x1g n LYS 32 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1x1g n ASN 33 N 2.30 0.00 -4.53 3.14 4.13 -1.26 -4.73 115.26 114.30 1x1g n ASN 33 Ca 0.00 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.83 1x1g n ASN 33 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 1x1g n ASN 33 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1x1g s TRP 34 N 0.00 3.08 -0.15 3.10 0.52 -1.25 -2.89 118.94 121.35 1x1g s TRP 34 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.20 1x1g s TRP 34 Cb 0.00 -3.34 0.03 0.00 -1.15 0.00 0.00 33.47 29.01 1x1g s TRP 34 CO 0.00 -0.82 -0.12 0.15 0.02 0.00 0.00 176.95 176.18 1x1g s LYS 35 N 2.86 2.08 0.19 4.98 1.02 -0.88 -4.94 119.74 125.05 1x1g s LYS 35 Ca 0.24 -0.57 -0.33 0.00 0.02 0.00 0.00 55.97 55.34 1x1g s LYS 35 Cb -0.14 -2.09 -0.13 0.00 -0.52 0.00 0.00 37.83 34.95 1x1g s LYS 35 CO 0.18 -0.29 1.61 0.28 -0.92 0.00 0.00 175.35 176.22 1x1g n VAL 36 N 4.79 0.15 -3.91 3.17 0.31 -1.26 -2.67 118.33 118.91 1x1g n VAL 36 Ca -0.16 -0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 1x1g n VAL 36 Cb 0.49 -1.70 -0.11 0.00 -0.91 0.00 0.00 33.84 31.61 1x1g n VAL 36 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1x1g s ARG 37 N 0.78 0.38 -0.65 5.55 0.52 0.53 -4.72 118.95 121.34 1x1g s ARG 37 Ca 0.76 -0.42 -0.27 0.00 -0.52 0.00 0.00 55.73 55.28 1x1g s ARG 37 Cb -0.61 0.15 0.03 0.00 0.52 0.00 0.00 34.95 35.05 1x1g s ARG 37 CO 0.38 -0.08 1.19 0.50 0.02 0.00 0.00 175.30 177.31 1x1g s ARG 38 N -1.25 3.32 -0.19 3.54 3.52 -0.63 -0.10 118.95 127.15 1x1g s ARG 38 Ca -0.14 -0.10 -0.13 0.00 -0.13 0.00 0.00 55.73 55.23 1x1g s ARG 38 Cb -0.08 -4.11 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 1x1g s ARG 38 CO 0.00 -1.88 0.27 -0.06 -0.81 0.00 0.00 175.30 172.83 1x1g s PHE 39 N 5.14 3.40 -0.03 5.12 0.40 -0.09 -0.25 117.98 131.67 1x1g s PHE 39 Ca 0.37 0.50 0.05 0.00 -0.60 0.00 0.00 56.93 57.24 1x1g s PHE 39 Cb -0.09 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 41.06 1x1g s PHE 39 CO 0.19 0.15 -0.16 0.54 0.70 0.00 0.00 175.22 176.64 1x1g s VAL 40 N 0.78 2.95 -0.13 -0.44 0.11 0.25 -2.32 120.40 121.60 1x1g s VAL 40 Ca 0.14 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1x1g s VAL 40 Cb -0.13 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 1x1g s VAL 40 CO 0.04 0.54 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.93 1x1g s LEU 41 N -0.87 2.26 0.28 2.54 0.20 0.44 -1.87 118.68 121.65 1x1g s LEU 41 Ca 0.12 -0.53 0.06 0.00 0.69 0.00 0.00 54.13 54.47 1x1g s LEU 41 Cb -0.11 -1.48 -0.06 0.00 -0.43 0.00 0.00 46.19 44.11 1x1g s LEU 41 CO 0.01 0.11 -0.06 -0.13 -0.29 0.00 0.00 176.35 176.00 1x1g s ARG 42 N 0.66 1.54 0.01 1.98 0.52 -0.67 0.33 118.95 123.32 1x1g s ARG 42 Ca -0.10 -1.78 0.01 0.00 -0.52 0.00 0.00 55.73 53.34 1x1g s ARG 42 Cb -0.16 -1.13 -0.01 0.00 0.52 0.00 0.00 34.95 34.17 1x1g s ARG 42 CO 0.02 0.03 -0.03 -1.59 0.02 0.00 0.00 175.30 173.75 1x1g s LYS 43 N -3.73 0.26 -0.53 3.54 -2.85 0.11 -3.07 119.74 113.46 1x1g s LYS 43 Ca 0.29 -0.38 -0.22 0.00 -1.00 0.00 0.00 55.97 54.66 1x1g s LYS 43 Cb 0.04 -0.05 0.03 0.00 -2.06 0.00 0.00 37.83 35.79 1x1g s LYS 43 CO 0.12 0.00 0.64 -0.25 0.10 0.00 0.00 175.35 175.96 1x1g n ASP 44 N 2.22 -6.48 -4.72 0.03 8.00 -1.26 0.18 116.55 114.52 1x1g n ASP 44 Ca -0.19 -0.03 -0.29 0.00 0.71 0.00 0.00 54.79 54.99 1x1g n ASP 44 Cb 0.57 -3.29 0.14 0.00 -0.02 0.00 0.00 41.12 38.52 1x1g n ASP 44 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1x1g s PRO 45 N -2.91 1.05 -0.72 -0.24 0.04 -1.21 -3.93 135.00 127.07 1x1g s PRO 45 Ca 0.25 0.24 -0.17 0.00 0.04 0.00 0.00 61.00 61.36 1x1g s PRO 45 Cb -0.04 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.82 1x1g s PRO 45 CO 0.83 -2.25 0.76 0.00 0.04 0.00 0.00 177.00 176.38 1x1g s ALA 46 N -3.30 3.68 0.05 8.56 0.00 -1.26 -4.52 121.76 124.97 1x1g s ALA 46 Ca 0.64 -2.75 -0.03 0.00 0.00 0.00 0.00 51.96 49.83 1x1g s ALA 46 Cb -0.14 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1x1g s ALA 46 CO 0.53 -2.37 0.03 -0.06 0.00 0.00 0.00 175.76 173.89 1x1g s PHE 47 N 1.64 0.37 -0.17 0.00 0.08 -1.17 -3.49 117.98 115.22 1x1g s PHE 47 Ca 0.16 -0.80 -0.01 0.00 0.12 0.00 0.00 56.93 56.39 1x1g s PHE 47 Cb -0.17 -0.26 0.05 0.00 -0.57 0.00 0.00 43.02 42.06 1x1g s PHE 47 CO -0.02 -0.37 -0.03 -1.17 -0.10 0.00 0.00 175.22 173.53 1x1g s LEU 48 N -2.53 1.55 0.30 -0.37 2.96 -1.24 -1.66 118.68 117.68 1x1g s LEU 48 Ca 0.01 -0.71 0.10 0.00 -0.22 0.00 0.00 54.13 53.31 1x1g s LEU 48 Cb 0.03 -0.84 -0.05 0.00 0.50 0.00 0.00 46.19 45.84 1x1g s LEU 48 CO -0.08 -0.22 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.70 1x1g s HIS 49 N 1.68 2.56 -0.04 5.38 3.76 -0.78 -3.26 115.29 124.59 1x1g s HIS 49 Ca -0.00 -0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 54.50 1x1g s HIS 49 Cb -0.16 -1.28 0.01 0.00 1.11 0.00 0.00 32.58 32.27 1x1g s HIS 49 CO -0.07 0.58 0.20 1.52 -0.85 0.00 0.00 174.74 176.11 1x1g s TYR 50 N -2.44 -0.14 0.11 1.40 1.13 -1.26 0.87 117.35 117.02 1x1g s TYR 50 Ca 0.33 0.30 0.10 0.00 -1.41 0.00 0.00 57.07 56.39 1x1g s TYR 50 Cb -0.04 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 1x1g s TYR 50 CO 0.19 -0.20 -0.26 0.71 -2.51 0.00 0.00 175.55 173.47 1x1g s TYR 51 N -0.55 2.27 -0.18 -3.49 1.51 0.65 0.42 117.35 117.98 1x1g s TYR 51 Ca -0.06 -0.39 -0.28 0.00 -1.01 0.00 0.00 57.07 55.32 1x1g s TYR 51 Cb -0.04 -1.27 -0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1x1g s TYR 51 CO 0.01 0.27 0.97 0.34 -1.11 0.00 0.00 175.55 176.04 1x1g s ASP 52 N -1.83 7.10 0.00 2.29 2.15 -1.26 -1.61 116.67 123.51 1x1g s ASP 52 Ca 0.13 1.36 0.24 0.00 0.43 0.00 0.00 52.55 54.71 1x1g s ASP 52 Cb -0.10 -2.52 1.43 0.00 -0.30 0.00 0.00 42.92 41.43 1x1g s ASP 52 CO 0.05 -0.53 1.80 -0.81 -0.17 0.00 0.00 175.17 175.51 1x1g n PRO 53 N 5.65 0.75 -0.02 4.34 -0.04 -1.26 -2.22 135.00 142.20 1x1g n PRO 53 Ca 0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 1x1g n PRO 53 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 1x1g n PRO 53 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x1g n SER 54 N -1.00 0.79 -4.85 3.54 7.64 -1.26 -4.94 113.62 113.53 1x1g n SER 54 Ca 0.18 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.71 1x1g n SER 54 Cb 0.08 1.69 -0.06 0.00 -1.01 0.00 0.00 64.21 64.91 1x1g n SER 54 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1x1g s LYS 55 N -3.13 3.33 -0.87 1.43 2.47 -0.94 -5.03 119.74 116.99 1x1g s LYS 55 Ca -0.07 -0.26 0.01 0.00 -1.56 0.00 0.00 55.97 54.09 1x1g s LYS 55 Cb 0.11 -3.07 0.30 0.00 -1.46 0.00 0.00 37.83 33.71 1x1g s LYS 55 CO 0.76 0.73 1.29 0.39 0.16 0.00 0.00 175.35 178.67 1x1g n GLU 56 N 1.66 4.01 -4.90 4.03 1.02 -1.26 -4.74 120.64 120.46 1x1g n GLU 56 Ca -0.17 -4.67 -0.30 0.00 -0.02 0.00 0.00 57.16 52.01 1x1g n GLU 56 Cb 0.54 -2.39 -0.15 0.00 -0.02 0.00 0.00 31.44 29.42 1x1g n GLU 56 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1x1g s GLU 57 N -3.18 1.79 -1.45 3.49 2.12 -1.26 -5.04 118.70 115.17 1x1g s GLU 57 Ca 0.38 -1.11 -0.11 0.00 0.36 0.00 0.00 54.97 54.49 1x1g s GLU 57 Cb 0.14 -1.96 0.05 0.00 0.26 0.00 0.00 34.13 32.62 1x1g s GLU 57 CO -0.02 0.51 2.33 0.09 -0.54 0.00 0.00 175.26 177.63 1x1g n ASN 58 N 1.78 5.57 0.00 -1.70 3.02 -1.26 -4.80 115.26 117.87 1x1g n ASN 58 Ca -0.17 -2.87 0.00 0.00 -0.03 0.00 0.00 54.58 51.52 1x1g n ASN 58 Cb 0.52 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 1x1g n ASN 58 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1x1g n ARG 59 N 4.68 0.00 -1.52 3.52 0.63 -1.26 -5.17 116.66 117.53 1x1g n ARG 59 Ca 0.56 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 57.20 1x1g n ARG 59 Cb 0.34 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.42 1x1g n ARG 59 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1x1g s PRO 60 N -2.00 0.36 0.05 -0.14 0.04 -1.26 -4.79 135.00 127.26 1x1g s PRO 60 Ca 0.00 -0.01 0.19 0.00 0.04 0.00 0.00 61.00 61.22 1x1g s PRO 60 Cb 0.00 -1.78 -0.15 0.00 0.04 0.00 0.00 34.50 32.62 1x1g s PRO 60 CO 0.00 -2.67 0.74 0.28 0.04 0.00 0.00 177.00 175.39 1x1g n VAL 61 N -4.04 0.91 0.00 -0.36 0.31 0.17 -4.94 118.33 110.38 1x1g n VAL 61 Ca 0.11 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1x1g n VAL 61 Cb 0.59 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 1x1g n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x1g n GLY 62 N 1.37 1.62 0.00 2.92 0.00 -1.25 -5.07 105.19 104.78 1x1g n GLY 62 Ca -0.09 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 3.31 3.44 -0.02 0.00 -1.26 -4.70 105.19 105.95 1x1g n GLY 63 Ca 0.00 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 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 2.25 0.53 1.61 -0.71 -1.20 -5.02 117.98 115.43 1x1g s PHE 64 Ca 0.00 -0.36 -0.20 0.00 -1.04 0.00 0.00 56.93 55.33 1x1g s PHE 64 Cb 0.00 -1.04 -0.06 0.00 -1.21 0.00 0.00 43.02 40.71 1x1g s PHE 64 CO 0.00 0.59 1.15 -1.54 -1.34 0.00 0.00 175.22 174.08 1x1g s SER 65 N -3.09 5.78 -0.27 1.98 1.04 -1.26 -3.72 113.70 114.16 1x1g s SER 65 Ca 0.25 2.24 -0.09 0.00 0.48 0.00 0.00 55.95 58.83 1x1g s SER 65 Cb -0.06 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.33 1x1g s SER 65 CO 0.12 -1.18 -0.29 0.18 0.98 0.00 0.00 173.24 173.05 1x1g n LEU 66 N -1.11 2.30 -0.33 2.42 4.77 -1.23 -4.33 117.00 119.49 1x1g n LEU 66 Ca 0.11 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.25 1x1g n LEU 66 Cb 0.50 -0.86 0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1x1g n LEU 66 CO 0.44 0.69 0.48 0.54 -1.33 0.00 0.00 177.39 178.22 1x1g n ARG 67 N -3.92 -0.22 -2.38 3.23 3.00 -1.26 0.32 116.66 115.42 1x1g n ARG 67 Ca -0.51 1.30 -0.41 0.00 -0.01 0.00 0.00 57.85 58.23 1x1g n ARG 67 Cb 0.92 -1.93 0.03 0.00 0.00 0.00 0.00 32.46 31.47 1x1g n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x1g n GLY 68 N -1.37 5.91 2.62 -0.13 0.00 -1.26 -4.60 105.19 106.34 1x1g n GLY 68 Ca 0.08 -2.53 -0.16 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.18 -0.61 -3.60 1.61 7.64 0.15 -0.89 113.62 117.74 1x1g n SER 69 Ca 0.50 -2.77 -0.14 0.00 1.01 0.00 0.00 58.87 57.46 1x1g n SER 69 Cb 0.25 1.40 -0.06 0.00 -1.01 0.00 0.00 64.21 64.80 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 -0.02 -0.00 -3.43 1.98 0.36 -4.85 118.68 112.71 1x1g s LEU 70 Ca 0.32 0.25 -0.01 0.00 -2.89 0.00 0.00 54.13 51.80 1x1g s LEU 70 Cb 0.01 2.06 -0.00 0.00 0.66 0.00 0.00 46.19 48.92 1x1g s LEU 70 CO 0.23 -0.66 0.03 0.54 -1.89 0.00 0.00 176.35 174.60 1x1g s VAL 71 N -2.06 0.04 0.20 1.68 0.11 -1.26 0.59 120.40 119.69 1x1g s VAL 71 Ca -0.07 -0.30 -0.21 0.00 -2.93 0.00 0.00 61.98 58.47 1x1g s VAL 71 Cb -0.01 -0.15 0.05 0.00 -1.53 0.00 0.00 36.38 34.74 1x1g s VAL 71 CO 0.01 -0.16 0.61 -0.44 -3.33 0.00 0.00 175.10 171.79 1x1g s SER 72 N -0.48 -0.41 0.17 3.54 0.01 -0.20 -4.94 113.70 111.38 1x1g s SER 72 Ca -0.05 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 1x1g s SER 72 Cb -0.03 0.63 -0.05 0.00 0.21 0.00 0.00 66.02 66.77 1x1g s SER 72 CO -0.00 -1.08 0.39 0.00 0.41 0.00 0.00 173.24 172.95 1x1g s ALA 73 N -3.82 3.81 -0.31 1.44 0.00 -1.26 -0.02 121.76 121.58 1x1g s ALA 73 Ca 0.05 -0.68 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 1x1g s ALA 73 Cb -0.02 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1x1g s ALA 73 CO -0.06 0.56 0.82 -0.51 0.00 0.00 0.00 175.76 176.57 1x1g s LEU 74 N -2.97 4.08 -1.01 0.00 1.43 -1.23 -4.85 118.68 114.12 1x1g s LEU 74 Ca 0.40 0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 54.11 1x1g s LEU 74 Cb -0.12 -3.11 0.10 0.00 0.03 0.00 0.00 46.19 43.09 1x1g s LEU 74 CO 0.27 -0.65 2.53 -1.84 0.23 0.00 0.00 176.35 176.88 1x1g n GLU 75 N 6.29 3.84 -3.89 1.70 0.28 -1.26 -4.87 120.64 122.74 1x1g n GLU 75 Ca 0.04 -3.06 -0.12 0.00 -0.16 0.00 0.00 57.16 53.86 1x1g n GLU 75 Cb 0.48 -2.46 -0.13 0.00 1.43 0.00 0.00 31.44 30.76 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 0.38 0.03 -0.20 -1.84 1.01 -1.26 -5.07 116.67 109.72 1x1g s ASP 76 Ca 0.56 -0.07 -0.17 0.00 0.71 0.00 0.00 52.55 53.58 1x1g s ASP 76 Cb 0.25 0.04 -0.07 0.00 1.01 0.00 0.00 42.92 44.15 1x1g s ASP 76 CO -0.14 -0.06 -0.35 0.59 0.21 0.00 0.00 175.17 175.43 1x1g n ASN 77 N 2.81 1.94 0.00 0.27 3.02 -1.26 -4.82 115.26 117.22 1x1g n ASN 77 Ca -0.14 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1x1g n ASN 77 Cb 0.59 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1x1g n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x1g n GLY 78 N 1.41 0.02 3.48 7.41 0.00 -1.26 -4.81 105.19 111.44 1x1g n GLY 78 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1x1g n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x1g s VAL 79 N 0.00 4.54 -1.13 1.61 1.01 -1.26 -4.22 120.40 120.95 1x1g s VAL 79 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 1x1g s VAL 79 Cb 0.00 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 1x1g s VAL 79 CO 0.00 0.32 2.19 -0.81 0.00 0.00 0.00 175.10 176.80 1x1g n PRO 80 N 4.95 2.32 0.00 2.72 -0.04 -1.26 -4.89 135.00 138.80 1x1g n PRO 80 Ca -0.16 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1x1g n PRO 80 Cb 0.52 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 1x1g n PRO 80 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1x1g n THR 81 N 5.10 0.00 -1.58 0.52 -1.04 -1.26 -3.61 114.28 112.40 1x1g n THR 81 Ca 0.53 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.39 1x1g n THR 81 Cb 0.33 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.73 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 -0.36 0.73 3.41 0.00 -1.26 -2.94 105.19 104.76 1x1g n GLY 82 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 9.01 0.00 0.00 1.61 0.31 -1.24 -5.04 118.33 122.98 1x1g n VAL 83 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 1x1g n VAL 83 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 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 -1.86 0.00 -1.92 5.55 5.02 -1.15 -4.71 118.16 119.09 1x1g n LYS 84 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1x1g n LYS 84 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1x1g n LYS 84 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1x1g s GLY 85 N 0.00 -0.22 -0.88 0.72 0.00 -1.26 -4.83 107.32 100.85 1x1g s GLY 85 Ca 0.00 -1.76 -0.32 0.00 0.00 0.00 0.00 44.72 42.64 1x1g s GLY 85 CO 0.00 3.77 2.50 1.16 0.00 0.00 0.00 173.10 180.53 1x1g n ASN 86 N 15.92 0.35 -4.28 1.64 0.23 -1.26 -4.86 115.26 123.01 1x1g n ASN 86 Ca 0.43 0.25 -0.27 0.00 -0.53 0.00 0.00 54.58 54.46 1x1g n ASN 86 Cb 0.46 -0.88 0.17 0.00 -2.08 0.00 0.00 39.78 37.45 1x1g n ASN 86 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1x1g s VAL 87 N 8.14 2.02 0.00 3.53 -7.23 -1.26 -5.01 120.40 120.58 1x1g s VAL 87 Ca 1.28 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 1x1g s VAL 87 Cb -1.25 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1x1g s VAL 87 CO 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.29 1x1g n GLN 88 N -3.43 -0.81 -1.48 4.82 1.13 -1.26 -4.92 117.38 111.42 1x1g n GLN 88 Ca 0.16 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.16 1x1g n GLN 88 Cb 0.60 0.00 0.10 0.00 0.11 0.00 0.00 30.24 31.05 1x1g n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x1g n GLY 89 N 0.00 4.71 2.66 1.08 0.00 -1.26 -4.74 105.19 107.64 1x1g n GLY 89 Ca 0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.71 -0.67 -1.85 1.61 5.15 -1.26 -5.08 115.26 112.46 1x1g n ASN 90 Ca 0.25 -2.68 0.00 0.00 -0.60 0.00 0.00 54.58 51.55 1x1g n ASN 90 Cb 0.86 0.49 0.00 0.00 -0.53 0.00 0.00 39.78 40.60 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 -0.29 0.00 -3.83 1.20 4.32 -1.26 -4.31 117.00 112.83 1x1g n LEU 91 Ca 0.03 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.96 1x1g n LEU 91 Cb 0.82 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.61 1x1g n LEU 91 CO 0.06 0.00 0.55 0.72 -1.22 0.00 0.00 177.39 177.51 1x1g s PHE 92 N -1.02 -0.07 0.12 -1.77 -0.71 -1.05 -3.55 117.98 109.93 1x1g s PHE 92 Ca 0.00 -0.43 0.05 0.00 -1.04 0.00 0.00 56.93 55.51 1x1g s PHE 92 Cb 0.00 0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 42.51 1x1g s PHE 92 CO 0.00 -1.26 -0.13 -1.59 -1.34 0.00 0.00 175.22 170.90 1x1g s LYS 93 N -3.20 0.99 -0.31 1.99 -2.85 0.97 -0.59 119.74 116.73 1x1g s LYS 93 Ca 0.13 -1.22 0.02 0.00 -1.00 0.00 0.00 55.97 53.91 1x1g s LYS 93 Cb -0.05 -0.83 0.09 0.00 -2.06 0.00 0.00 37.83 34.98 1x1g s LYS 93 CO 0.08 0.15 0.03 0.08 0.10 0.00 0.00 175.35 175.79 1x1g s VAL 94 N -2.19 1.86 -0.54 1.79 1.01 0.49 -1.04 120.40 121.78 1x1g s VAL 94 Ca 0.08 -1.90 -0.24 0.00 0.00 0.00 0.00 61.98 59.92 1x1g s VAL 94 Cb -0.05 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.08 1x1g s VAL 94 CO 0.02 -0.47 0.94 -0.63 0.00 0.00 0.00 175.10 174.96 1x1g s ILE 95 N 1.15 4.39 0.83 2.22 1.01 0.20 -1.12 121.20 129.87 1x1g s ILE 95 Ca 0.06 0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 1x1g s ILE 95 Cb -0.19 -4.53 0.14 0.00 0.01 0.00 0.00 42.46 37.89 1x1g s ILE 95 CO -0.11 -1.09 1.16 0.42 0.00 0.00 0.00 174.94 175.33 1x1g s THR 96 N 3.94 2.09 -0.02 2.92 -4.23 -0.65 0.13 115.64 119.82 1x1g s THR 96 Ca 0.31 -0.20 0.25 0.00 -1.18 0.00 0.00 61.69 60.88 1x1g s THR 96 Cb -0.12 -2.90 0.25 0.00 1.34 0.00 0.00 72.50 71.07 1x1g s THR 96 CO 0.20 0.00 1.76 0.50 -0.54 0.00 0.00 174.62 176.54 1x1g h LYS 97 N -1.08 0.00 -0.79 3.99 3.64 -1.36 0.38 116.57 121.34 1x1g h LYS 97 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1x1g h LYS 97 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1x1g h LYS 97 CO 0.47 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.40 1x1g n ASP 98 N -2.39 3.01 -1.97 4.20 9.92 -1.26 -4.83 116.55 123.22 1x1g n ASP 98 Ca -0.02 -2.39 -0.09 0.00 -0.53 0.00 0.00 54.79 51.77 1x1g n ASP 98 Cb 0.06 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 39.96 1x1g n ASP 98 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1x1g n ASP 99 N 0.28 -2.73 -4.63 -2.24 5.75 0.13 -4.87 116.55 108.25 1x1g n ASP 99 Ca 0.12 0.26 -0.38 0.00 -0.01 0.00 0.00 54.79 54.77 1x1g n ASP 99 Cb 0.65 -2.49 -0.09 0.00 -1.03 0.00 0.00 41.12 38.15 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 -2.15 5.21 -0.48 2.12 2.01 -1.24 -4.86 115.64 116.26 1x1g s THR 100 Ca 0.00 0.52 -0.22 0.00 0.31 0.00 0.00 61.69 62.31 1x1g s THR 100 Cb 0.00 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.88 1x1g s THR 100 CO 0.00 0.21 0.73 -1.00 -0.69 0.00 0.00 174.62 173.87 1x1g s HIS 101 N 1.74 2.99 -0.50 4.92 3.76 -1.26 -1.64 115.29 125.30 1x1g s HIS 101 Ca 0.14 -0.10 -0.15 0.00 -0.15 0.00 0.00 55.06 54.80 1x1g s HIS 101 Cb -0.15 -3.61 0.10 0.00 1.11 0.00 0.00 32.58 30.03 1x1g s HIS 101 CO 0.09 -1.03 0.44 0.71 -0.85 0.00 0.00 174.74 174.10 1x1g s TYR 102 N 3.12 3.25 -0.02 1.40 2.02 -0.28 -4.79 117.35 122.05 1x1g s TYR 102 Ca 0.24 -1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 55.51 1x1g s TYR 102 Cb -0.14 -3.47 -0.04 0.00 -0.40 0.00 0.00 41.96 37.91 1x1g s TYR 102 CO 0.18 -0.91 1.18 0.71 -1.57 0.00 0.00 175.55 175.15 1x1g s TYR 103 N 1.61 3.31 0.25 2.71 1.51 -1.26 -0.38 117.35 125.10 1x1g s TYR 103 Ca 0.04 1.29 0.08 0.00 -1.01 0.00 0.00 57.07 57.46 1x1g s TYR 103 Cb -0.27 -3.39 -0.05 0.00 -0.11 0.00 0.00 41.96 38.14 1x1g s TYR 103 CO 0.05 -1.18 -0.11 0.42 -1.11 0.00 0.00 175.55 173.62 1x1g s ILE 104 N 1.77 1.77 -0.10 2.71 1.01 0.24 -2.15 121.20 126.46 1x1g s ILE 104 Ca 0.56 -2.19 0.03 0.00 0.00 0.00 0.00 60.65 59.05 1x1g s ILE 104 Cb -0.26 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 39.95 1x1g s ILE 104 CO 0.24 -0.43 -0.19 -1.58 0.00 0.00 0.00 174.94 172.99 1x1g s GLN 105 N -3.67 2.50 0.76 2.79 0.74 -1.05 -2.52 119.66 119.22 1x1g s GLN 105 Ca 0.27 -0.68 -0.10 0.00 0.05 0.00 0.00 55.36 54.89 1x1g s GLN 105 Cb 0.01 -1.99 0.06 0.00 1.10 0.00 0.00 33.01 32.19 1x1g s GLN 105 CO 0.10 0.06 1.12 0.00 -0.55 0.00 0.00 175.29 176.02 1x1g s ALA 106 N 0.63 2.83 -0.12 1.58 0.00 -1.26 -2.84 121.76 122.58 1x1g s ALA 106 Ca -0.13 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 1x1g s ALA 106 Cb -0.16 -2.87 -0.27 0.00 0.00 0.00 0.00 23.12 19.82 1x1g s ALA 106 CO 0.04 -1.49 0.66 1.03 0.00 0.00 0.00 175.76 176.00 1x1g h SER 107 N -0.86 0.23 -2.90 0.00 0.87 -1.89 -3.47 113.55 105.52 1x1g h SER 107 Ca -0.45 -0.87 -0.53 0.00 -1.23 0.00 0.00 61.79 58.70 1x1g h SER 107 Cb 1.31 -0.07 -0.13 0.00 -0.44 0.00 0.00 62.40 63.07 1x1g h SER 107 CO 0.64 1.35 -0.56 -0.55 -0.53 0.00 0.00 176.83 177.18 1x1g s SER 108 N -6.74 2.74 0.10 6.23 0.15 -1.26 -5.02 113.70 109.90 1x1g s SER 108 Ca -0.19 -1.53 -0.34 0.00 0.70 0.00 0.00 55.95 54.59 1x1g s SER 108 Cb 0.01 0.22 -0.15 0.00 -1.71 0.00 0.00 66.02 64.39 1x1g s SER 108 CO 0.73 -0.76 1.57 0.50 1.20 0.00 0.00 173.24 176.48 1x1g h LYS 109 N 1.90 -0.82 0.06 5.44 3.11 -1.93 -1.71 116.57 122.62 1x1g h LYS 109 Ca -0.39 0.06 0.02 0.00 -2.81 0.00 0.00 60.65 57.53 1x1g h LYS 109 Cb 1.26 0.19 -0.04 0.00 -1.00 0.00 0.00 32.23 32.64 1x1g h LYS 109 CO 0.65 -0.55 -0.25 0.00 -2.81 0.00 0.00 179.45 176.49 1x1g h ALA 110 N -0.58 -0.39 -0.90 5.00 0.00 -1.99 -1.11 119.26 119.28 1x1g h ALA 110 Ca -0.03 -0.02 0.35 0.00 0.00 0.00 0.00 54.91 55.21 1x1g h ALA 110 Cb 0.79 0.43 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 1x1g h ALA 110 CO -0.15 -0.77 0.38 -1.91 0.00 0.00 0.00 179.25 176.80 1x1g n GLU 111 N -5.37 -0.06 0.00 0.00 4.07 -1.01 0.48 120.64 118.75 1x1g n GLU 111 Ca -0.06 1.27 0.00 0.00 -0.06 0.00 0.00 57.16 58.31 1x1g n GLU 111 Cb 0.28 -2.22 0.00 0.00 -0.06 0.00 0.00 31.44 29.44 1x1g n GLU 111 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1x1g n ARG 112 N -5.11 0.00 -0.25 5.31 0.00 -0.42 0.32 116.66 116.52 1x1g n ARG 112 Ca 0.31 0.63 0.01 0.00 -0.00 0.00 0.00 57.85 58.80 1x1g n ARG 112 Cb 1.06 -1.44 0.13 0.00 0.00 0.00 0.00 32.46 32.21 1x1g n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x1g h ALA 113 N -1.67 0.98 -0.14 5.13 0.00 -0.95 0.37 119.26 122.98 1x1g h ALA 113 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1x1g h ALA 113 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1x1g h ALA 113 CO 0.00 -0.02 -0.37 0.93 0.00 0.00 0.00 179.25 179.79 1x1g h GLU 114 N 0.63 -0.34 -0.74 0.00 5.08 0.32 1.14 114.58 120.66 1x1g h GLU 114 Ca 0.35 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.83 1x1g h GLU 114 Cb 0.34 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 1x1g h GLU 114 CO -0.25 -0.23 0.37 -1.49 -1.00 0.00 0.00 179.01 176.41 1x1g h TRP 115 N -0.36 0.67 0.00 4.33 4.06 0.27 0.32 115.95 125.25 1x1g h TRP 115 Ca 0.03 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1x1g h TRP 115 Cb 0.44 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1x1g h TRP 115 CO -0.58 0.22 0.00 -0.89 -3.56 0.00 0.00 178.44 173.63 1x1g n ILE 116 N -4.86 0.00 -0.35 1.49 5.41 0.09 -0.99 119.36 120.14 1x1g n ILE 116 Ca 0.12 1.08 0.10 0.00 1.00 0.00 0.00 62.75 65.05 1x1g n ILE 116 Cb 0.30 -1.96 0.21 0.00 -0.71 0.00 0.00 39.64 37.48 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 -0.89 -0.08 -0.15 0.38 0.00 0.37 0.27 120.64 120.54 1x1g n GLU 117 Ca 0.00 1.51 -0.13 0.00 0.00 0.00 0.00 57.16 58.53 1x1g n GLU 117 Cb 0.00 -2.31 -0.09 0.00 0.00 0.00 0.00 31.44 29.03 1x1g n GLU 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x1g h ALA 118 N 1.97 -0.73 -0.80 4.31 0.00 -0.19 1.49 119.26 125.31 1x1g h ALA 118 Ca 0.53 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.54 1x1g h ALA 118 Cb 0.95 1.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.78 1x1g h ALA 118 CO -0.97 -1.03 0.45 0.82 0.00 0.00 0.00 179.25 178.52 1x1g h ILE 119 N -0.37 0.92 -0.29 0.00 2.04 0.16 -0.81 117.51 119.15 1x1g h ILE 119 Ca 0.09 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1x1g h ILE 119 Cb 0.59 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1x1g h ILE 119 CO -0.61 0.14 0.14 0.11 0.00 0.00 0.00 178.15 177.93 1x1g h LYS 120 N 0.78 0.29 0.00 2.37 1.57 0.16 -0.78 116.57 120.96 1x1g h LYS 120 Ca 0.38 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1x1g h LYS 120 Cb 0.33 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1x1g h LYS 120 CO -0.24 0.19 -0.50 0.87 -0.57 0.00 0.00 179.45 179.20 1x1g h LYS 121 N 0.29 -0.61 -0.32 3.15 1.57 0.33 -2.16 116.57 118.82 1x1g h LYS 121 Ca 0.12 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 1x1g h LYS 121 Cb 0.05 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 1x1g h LYS 121 CO -0.09 -0.41 -0.47 -0.07 -0.57 0.00 0.00 179.45 177.85 1x1g h LEU 122 N -0.64 -1.52 0.00 2.94 -0.00 -1.09 -3.42 115.31 111.58 1x1g h LEU 122 Ca 0.01 0.21 -0.38 0.00 -0.00 0.00 0.00 57.88 57.73 1x1g h LEU 122 Cb 0.68 0.64 0.18 0.00 -0.00 0.00 0.00 40.66 42.16 1x1g h LEU 122 CO -0.33 -0.40 0.17 0.35 -0.00 0.00 0.00 178.44 178.22 1x1g n THR 123 N -5.42 0.00 0.30 0.22 -2.24 -0.32 -4.80 114.28 102.02 1x1g n THR 123 Ca -0.02 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 1x1g n THR 123 Cb 0.36 -1.29 -0.07 0.00 -2.10 0.00 0.00 70.33 67.23 1x1g n THR 123 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1x1g h SER 124 N -2.42 -0.91 -3.64 3.42 0.02 -1.81 -3.46 113.55 104.76 1x1g h SER 124 Ca -0.39 0.05 0.24 0.00 -0.84 0.00 0.00 61.79 60.86 1x1g h SER 124 Cb 1.16 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.88 1x1g h SER 124 CO 0.26 -0.53 -0.56 0.61 -1.14 0.00 0.00 176.83 175.46 1x1g n GLY 125 N -1.44 -2.33 0.16 -3.77 0.00 -1.25 -4.60 105.19 91.96 1x1g n GLY 125 Ca -0.10 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.50 1x1g n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x1g h PRO 126 N -0.90 0.52 -2.54 1.61 0.13 -1.94 -3.45 132.00 125.44 1x1g h PRO 126 Ca -0.05 -0.51 -0.10 0.00 -0.87 0.00 0.00 66.00 64.47 1x1g h PRO 126 Cb 0.88 0.13 -0.28 0.00 0.13 0.00 0.00 31.00 31.86 1x1g h PRO 126 CO 0.03 1.14 -0.38 -1.54 -0.23 0.00 0.00 178.00 177.02 1x1g s SER 127 N -6.85 -0.22 0.37 1.44 1.04 -1.26 -5.02 113.70 103.21 1x1g s SER 127 Ca -0.12 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1x1g s SER 127 Cb 0.05 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.47 1x1g s SER 127 CO 0.85 -0.23 0.00 -1.20 0.98 0.00 0.00 173.24 173.64 1x1g n SER 128 N 5.36 -2.73 0.00 7.02 7.64 -1.26 -4.93 113.62 124.72 1x1g n SER 128 Ca -0.09 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1x1g n SER 128 Cb 0.50 2.64 0.00 0.00 -1.01 0.00 0.00 64.21 66.33 1x1g n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64