#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vyq s HIS 2 N 0.00 1.89 -0.07 1.12 5.65 -0.30 -1.47 115.29 122.11 1vyq s HIS 2 Ca 0.00 -0.60 0.01 0.00 0.25 0.00 0.00 55.06 54.71 1vyq s HIS 2 Cb 0.00 -1.28 -0.03 0.00 -1.18 0.00 0.00 32.58 30.09 1vyq s HIS 2 CO 0.00 -0.22 -0.07 -0.51 -0.65 0.00 0.00 174.74 173.29 1vyq s LEU 3 N 0.14 3.15 -0.37 8.88 1.43 0.24 -0.98 118.68 131.16 1vyq s LEU 3 Ca -0.07 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1vyq s LEU 3 Cb -0.13 -1.68 0.10 0.00 0.03 0.00 0.00 46.19 44.51 1vyq s LEU 3 CO 0.04 0.36 0.13 -0.54 0.23 0.00 0.00 176.35 176.56 1vyq s LYS 4 N -0.77 1.79 -0.20 1.70 3.01 -0.94 -1.59 119.74 122.74 1vyq s LYS 4 Ca 0.12 -1.83 -0.15 0.00 -1.01 0.00 0.00 55.97 53.10 1vyq s LYS 4 Cb -0.11 -3.41 -0.04 0.00 -1.01 0.00 0.00 37.83 33.26 1vyq s LYS 4 CO 0.01 -1.00 0.36 0.42 0.51 0.00 0.00 175.35 175.66 1vyq s ILE 5 N 1.04 5.23 -0.41 2.17 1.09 -0.75 -3.04 121.20 126.53 1vyq s ILE 5 Ca 0.09 0.64 -0.19 0.00 -1.10 0.00 0.00 60.65 60.09 1vyq s ILE 5 Cb -0.21 -3.70 0.02 0.00 -1.06 0.00 0.00 42.46 37.51 1vyq s ILE 5 CO -0.06 0.28 0.55 -0.69 -0.10 0.00 0.00 174.94 174.93 1vyq s VAL 6 N 1.14 4.95 0.40 2.92 1.01 -0.78 -2.28 120.40 127.76 1vyq s VAL 6 Ca 0.18 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 1vyq s VAL 6 Cb -0.14 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1vyq s VAL 6 CO 0.07 -0.44 1.02 0.00 0.00 0.00 0.00 175.10 175.75 1vyq n LEU 8 N -0.17 3.23 -4.17 0.00 4.77 -0.73 -4.90 117.00 115.01 1vyq n LEU 8 Ca 0.05 -1.34 -0.16 0.00 -0.03 0.00 0.00 56.01 54.53 1vyq n LEU 8 Cb 0.51 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1vyq n LEU 8 CO 0.43 0.65 0.01 -0.94 -1.33 0.00 0.00 177.39 176.21 1vyq s SER 9 N -1.58 1.13 -0.06 -1.43 1.04 -1.26 -5.06 113.70 106.47 1vyq s SER 9 Ca 0.34 -1.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.18 1vyq s SER 9 Cb 0.21 0.59 -0.26 0.00 0.10 0.00 0.00 66.02 66.66 1vyq s SER 9 CO 0.30 -1.16 0.59 -2.24 0.98 0.00 0.00 173.24 171.70 1vyq h ASP 10 N 2.17 0.33 -0.88 7.02 2.03 -1.98 -2.57 116.42 122.53 1vyq h ASP 10 Ca -0.27 -0.62 0.01 0.00 -0.73 0.00 0.00 57.03 55.41 1vyq h ASP 10 Cb 1.24 -0.11 -0.04 0.00 -0.83 0.00 0.00 39.33 39.59 1vyq h ASP 10 CO 0.39 1.55 0.58 1.05 -1.03 0.00 0.00 179.24 181.78 1vyq h GLU 11 N 0.06 1.14 -0.02 4.15 -0.00 -2.00 -1.28 114.58 116.63 1vyq h GLU 11 Ca -0.34 -0.07 -0.20 0.00 -0.00 0.00 0.00 59.36 58.75 1vyq h GLU 11 Cb 2.03 -0.26 0.02 0.00 -0.00 0.00 0.00 28.75 30.54 1vyq h GLU 11 CO 0.11 0.76 -0.77 0.28 -0.00 0.00 0.00 179.01 179.39 1vyq h VAL 12 N 1.18 1.35 -0.72 -1.06 2.07 -1.93 -2.92 116.25 114.21 1vyq h VAL 12 Ca 0.32 -2.11 0.14 0.00 0.82 0.00 0.00 66.70 65.87 1vyq h VAL 12 Cb -0.12 2.43 -0.09 0.00 -1.52 0.00 0.00 31.29 31.99 1vyq h VAL 12 CO -0.07 0.63 0.26 -0.09 0.02 0.00 0.00 177.57 178.32 1vyq h ARG 13 N 0.15 0.39 -0.62 1.57 2.43 -1.24 -2.08 114.38 114.98 1vyq h ARG 13 Ca -0.09 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1vyq h ARG 13 Cb 1.45 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.83 1vyq h ARG 13 CO 0.15 0.26 -0.45 1.49 -1.51 0.00 0.00 179.97 179.91 1vyq h GLU 14 N 0.40 -0.10 -0.97 0.20 4.81 -1.08 -2.21 114.58 115.63 1vyq h GLU 14 Ca 0.39 0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.93 1vyq h GLU 14 Cb 0.59 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.85 1vyq h GLU 14 CO -0.41 -0.07 0.46 0.52 -0.73 0.00 0.00 179.01 178.79 1vyq h MET 15 N -0.10 0.26 0.10 1.92 2.86 -1.20 -2.82 114.93 115.95 1vyq h MET 15 Ca 0.10 -0.02 -0.32 0.00 -2.06 0.00 0.00 59.70 57.40 1vyq h MET 15 Cb 0.37 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1vyq h MET 15 CO -0.64 0.17 -1.70 1.88 1.06 0.00 0.00 176.91 177.68 1vyq h TYR 16 N 0.27 0.40 -0.39 -0.22 -1.99 -1.29 -2.90 116.97 110.85 1vyq h TYR 16 Ca 0.69 -0.29 0.05 0.00 2.00 0.00 0.00 58.73 61.17 1vyq h TYR 16 Cb 1.53 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 40.20 1vyq h TYR 16 CO -0.09 1.45 0.13 0.87 -0.00 0.00 0.00 178.16 180.52 1vyq h LYS 17 N 0.06 0.28 -1.31 4.88 1.57 -1.25 -2.72 116.57 118.09 1vyq h LYS 17 Ca -0.31 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.13 1vyq h LYS 17 Cb 2.03 -0.06 -0.16 0.00 0.08 0.00 0.00 32.23 34.12 1vyq h LYS 17 CO 0.13 0.19 0.43 0.09 -0.57 0.00 0.00 179.45 179.71 1vyq n ASN 18 N -5.02 5.51 -4.59 0.86 3.02 -1.10 -4.95 115.26 109.00 1vyq n ASN 18 Ca 0.02 -3.04 -0.42 0.00 -0.03 0.00 0.00 54.58 51.11 1vyq n ASN 18 Cb 0.15 -0.92 -0.03 0.00 -0.61 0.00 0.00 39.78 38.37 1vyq n ASN 18 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1vyq s HIS 19 N -1.93 1.76 0.03 3.10 2.46 -1.03 -4.89 115.29 114.79 1vyq s HIS 19 Ca 0.33 0.70 -0.25 0.00 0.47 0.00 0.00 55.06 56.31 1vyq s HIS 19 Cb 0.26 -4.10 -0.18 0.00 -0.13 0.00 0.00 32.58 28.44 1vyq s HIS 19 CO 0.02 -2.75 1.46 0.87 -2.47 0.00 0.00 174.74 171.87 1vyq h LYS 20 N 13.58 -0.07 -0.72 2.88 6.56 -1.92 -3.38 116.57 133.49 1vyq h LYS 20 Ca -0.31 0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.21 1vyq h LYS 20 Cb 1.17 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.80 1vyq h LYS 20 CO 1.08 0.19 0.09 0.25 -2.06 0.00 0.00 179.45 179.01 1vyq n THR 21 N -5.00 2.33 -3.52 -0.16 -2.24 -1.26 -4.68 114.28 99.74 1vyq n THR 21 Ca -0.08 -1.20 -0.41 0.00 -2.27 0.00 0.00 64.05 60.09 1vyq n THR 21 Cb 0.17 -0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1vyq n THR 21 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1vyq s HIS 22 N -2.46 3.80 0.37 4.78 5.04 -1.26 -4.86 115.29 120.70 1vyq s HIS 22 Ca 0.44 -2.61 0.00 0.00 -1.54 0.00 0.00 55.06 51.36 1vyq s HIS 22 Cb 0.34 -3.50 0.00 0.00 0.04 0.00 0.00 32.58 29.47 1vyq s HIS 22 CO 0.12 -0.87 0.03 1.58 -2.34 0.00 0.00 174.74 173.25 1vyq n HIS 23 N 3.15 0.72 0.29 3.88 -0.00 -1.26 -4.95 115.22 117.04 1vyq n HIS 23 Ca 0.16 -1.82 0.18 0.00 -0.00 0.00 0.00 57.72 56.24 1vyq n HIS 23 Cb 0.40 -0.25 0.94 0.00 -0.00 0.00 0.00 29.99 31.08 1vyq n HIS 23 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1vyq h GLU 24 N 0.00 0.00 -0.02 1.57 4.22 -1.97 -1.37 114.58 117.01 1vyq h GLU 24 Ca -0.30 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.06 1vyq h GLU 24 Cb 0.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.19 1vyq h GLU 24 CO 0.50 0.00 -0.29 0.78 -2.18 0.00 0.00 179.01 177.82 1vyq h GLY 25 N 0.00 0.26 -1.47 1.92 0.00 -1.96 -3.47 103.07 98.35 1vyq h GLY 25 Ca 0.03 -0.42 -0.46 0.00 0.00 0.00 0.00 47.33 46.48 1vyq h GLY 25 CO -0.00 0.37 0.09 0.51 0.00 0.00 0.00 176.54 177.51 1vyq s ASP 26 N -6.35 4.45 0.11 0.19 1.47 -0.52 -4.39 116.67 111.63 1vyq s ASP 26 Ca -0.15 -0.32 0.24 0.00 1.18 0.00 0.00 52.55 53.49 1vyq s ASP 26 Cb 0.02 -0.11 0.21 0.00 -0.34 0.00 0.00 42.92 42.70 1vyq s ASP 26 CO 0.76 -1.79 1.20 -1.20 0.68 0.00 0.00 175.17 174.82 1vyq n SER 27 N -2.78 0.69 -4.22 2.11 7.64 -1.26 -2.91 113.62 112.88 1vyq n SER 27 Ca 0.14 0.05 -0.31 0.00 1.01 0.00 0.00 58.87 59.76 1vyq n SER 27 Cb 0.60 0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 64.03 1vyq n SER 27 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1vyq s GLY 28 N -3.75 1.26 -0.41 0.23 0.00 -1.26 -4.38 107.32 99.02 1vyq s GLY 28 Ca 0.05 -0.95 -0.11 0.00 0.00 0.00 0.00 44.72 43.70 1vyq s GLY 28 CO 0.75 -0.44 0.26 -2.27 0.00 0.00 0.00 173.10 171.40 1vyq s LEU 29 N 0.13 5.03 0.36 0.66 2.96 -0.97 -4.91 118.68 121.94 1vyq s LEU 29 Ca -0.11 -1.22 -0.28 0.00 -0.22 0.00 0.00 54.13 52.29 1vyq s LEU 29 Cb -0.16 -2.04 -0.11 0.00 0.50 0.00 0.00 46.19 44.38 1vyq s LEU 29 CO 0.06 -0.48 1.42 0.47 -1.32 0.00 0.00 176.35 176.50 1vyq n ASP 30 N 5.01 3.46 -4.42 3.68 8.00 -1.26 -1.97 116.55 129.04 1vyq n ASP 30 Ca -0.11 1.22 -0.32 0.00 0.71 0.00 0.00 54.79 56.28 1vyq n ASP 30 Cb 0.45 -1.58 -0.14 0.00 -0.02 0.00 0.00 41.12 39.83 1vyq n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1vyq s LEU 31 N -1.68 2.60 0.02 0.64 1.43 -0.07 -4.92 118.68 116.70 1vyq s LEU 31 Ca 0.54 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.14 1vyq s LEU 31 Cb -0.51 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1vyq s LEU 31 CO 0.63 0.30 0.67 -0.36 0.23 0.00 0.00 176.35 177.83 1vyq s PHE 32 N -0.47 3.71 0.60 0.29 0.40 -1.26 -4.07 117.98 117.17 1vyq s PHE 32 Ca 0.06 1.33 -0.19 0.00 -0.60 0.00 0.00 56.93 57.53 1vyq s PHE 32 Cb -0.12 -2.70 -0.04 0.00 0.51 0.00 0.00 43.02 40.67 1vyq s PHE 32 CO 0.02 0.32 1.17 -0.89 0.70 0.00 0.00 175.22 176.54 1vyq n ILE 33 N 2.72 4.10 -0.29 0.64 2.08 -0.58 -4.84 119.36 123.19 1vyq n ILE 33 Ca -0.05 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.76 1vyq n ILE 33 Cb 0.51 -1.39 0.00 0.00 -0.75 0.00 0.00 39.64 38.00 1vyq n ILE 33 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1vyq n VAL 34 N -1.56 0.00 0.00 1.39 0.31 -1.26 -2.24 118.33 114.96 1vyq n VAL 34 Ca 0.13 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1vyq n VAL 34 Cb 0.46 1.29 0.00 0.00 -0.91 0.00 0.00 33.84 34.69 1vyq n VAL 34 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1vyq n LYS 35 N -0.01 0.00 -1.56 5.55 0.00 -1.26 -4.95 118.16 115.93 1vyq n LYS 35 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 57.93 1vyq n LYS 35 Cb 0.07 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.15 1vyq n LYS 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1vyq n ASP 36 N 0.00 0.15 -3.53 3.14 9.92 -1.26 -4.45 116.55 120.51 1vyq n ASP 36 Ca 0.00 0.80 -0.15 0.00 -0.53 0.00 0.00 54.79 54.91 1vyq n ASP 36 Cb 0.00 -1.31 -0.05 0.00 -0.64 0.00 0.00 41.12 39.12 1vyq n ASP 36 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1vyq s GLU 37 N -2.45 1.08 -0.07 -1.24 2.12 -0.81 -5.00 118.70 112.33 1vyq s GLU 37 Ca 0.72 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.95 1vyq s GLU 37 Cb -0.44 0.50 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 1vyq s GLU 37 CO 0.50 -0.39 -0.10 0.08 -0.54 0.00 0.00 175.26 174.82 1vyq s VAL 38 N -2.25 3.42 -0.19 3.70 1.01 -1.26 -0.73 120.40 124.10 1vyq s VAL 38 Ca -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1vyq s VAL 38 Cb -0.01 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1vyq s VAL 38 CO 0.00 0.58 -0.06 -0.76 0.00 0.00 0.00 175.10 174.86 1vyq s LEU 39 N -0.63 2.90 0.31 3.92 1.43 -0.90 -4.98 118.68 120.73 1vyq s LEU 39 Ca 0.09 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 1vyq s LEU 39 Cb -0.11 -1.71 -0.11 0.00 0.03 0.00 0.00 46.19 44.29 1vyq s LEU 39 CO 0.01 0.05 1.45 -1.59 0.23 0.00 0.00 176.35 176.51 1vyq s LYS 40 N 1.04 4.22 0.59 1.70 -2.85 -1.26 -2.65 119.74 120.54 1vyq s LYS 40 Ca 0.00 2.41 -0.18 0.00 -1.00 0.00 0.00 55.97 57.20 1vyq s LYS 40 Cb -0.15 -3.05 -0.08 0.00 -2.06 0.00 0.00 37.83 32.50 1vyq s LYS 40 CO -0.00 -0.44 0.52 -0.35 0.10 0.00 0.00 175.35 175.18 1vyq n PRO 41 N 1.51 0.48 -3.70 1.78 -0.04 -1.24 -3.65 135.00 130.14 1vyq n PRO 41 Ca 0.04 0.19 -0.29 0.00 -0.04 0.00 0.00 63.50 63.41 1vyq n PRO 41 Cb 0.40 -1.72 0.04 0.00 -0.04 0.00 0.00 33.50 32.17 1vyq n PRO 41 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vyq n LYS 42 N -0.15 -1.93 -3.62 0.54 4.01 -0.29 -4.95 118.16 111.77 1vyq n LYS 42 Ca 0.11 0.49 -0.10 0.00 -0.51 0.00 0.00 58.31 58.30 1vyq n LYS 42 Cb 0.48 -4.38 -0.03 0.00 -0.51 0.00 0.00 35.03 30.60 1vyq n LYS 42 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1vyq s SER 43 N -3.68 -0.40 -0.21 4.39 1.04 -0.90 -4.98 113.70 108.96 1vyq s SER 43 Ca 0.36 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.51 1vyq s SER 43 Cb -0.12 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1vyq s SER 43 CO 0.85 -1.08 -0.09 0.28 0.98 0.00 0.00 173.24 174.19 1vyq s THR 44 N -3.83 1.64 -0.15 2.02 -1.32 -1.26 0.57 115.64 113.31 1vyq s THR 44 Ca 0.06 -1.11 -0.10 0.00 -1.21 0.00 0.00 61.69 59.33 1vyq s THR 44 Cb -0.02 -1.77 -0.05 0.00 -1.51 0.00 0.00 72.50 69.15 1vyq s THR 44 CO -0.05 0.07 0.18 -0.89 -2.21 0.00 0.00 174.62 171.72 1vyq s THR 45 N 1.38 5.40 -0.23 5.08 2.01 -0.41 -4.87 115.64 124.00 1vyq s THR 45 Ca -0.03 0.30 -0.24 0.00 0.31 0.00 0.00 61.69 62.04 1vyq s THR 45 Cb -0.17 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1vyq s THR 45 CO -0.07 0.51 0.78 -0.36 -0.69 0.00 0.00 174.62 174.79 1vyq s PHE 46 N -0.29 3.32 -0.16 4.92 0.40 -1.26 -1.43 117.98 123.48 1vyq s PHE 46 Ca 0.13 1.08 -0.01 0.00 -0.60 0.00 0.00 56.93 57.53 1vyq s PHE 46 Cb -0.12 -2.99 -0.01 0.00 0.51 0.00 0.00 43.02 40.41 1vyq s PHE 46 CO 0.02 -0.35 -0.11 0.08 0.70 0.00 0.00 175.22 175.56 1vyq s VAL 47 N 2.61 3.01 -0.18 -0.44 1.01 -0.75 -4.94 120.40 120.73 1vyq s VAL 47 Ca 0.33 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1vyq s VAL 47 Cb -0.16 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1vyq s VAL 47 CO 0.08 0.50 0.21 -0.54 0.00 0.00 0.00 175.10 175.35 1vyq s LYS 48 N 0.79 4.18 0.00 2.72 -0.14 -1.26 -0.58 119.74 125.46 1vyq s LYS 48 Ca -0.04 -0.07 0.23 0.00 -1.36 0.00 0.00 55.97 54.73 1vyq s LYS 48 Cb -0.15 -3.41 0.13 0.00 -1.68 0.00 0.00 37.83 32.72 1vyq s LYS 48 CO 0.01 0.30 1.19 1.28 -0.76 0.00 0.00 175.35 177.37 1vyq n LEU 49 N 3.45 2.26 -0.72 3.17 4.77 -0.75 -4.60 117.00 124.57 1vyq n LEU 49 Ca -0.14 -0.80 -0.07 0.00 -0.03 0.00 0.00 56.01 54.97 1vyq n LEU 49 Cb 0.52 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1vyq n LEU 49 CO 0.38 0.40 -0.08 0.61 -1.33 0.00 0.00 177.39 177.37 1vyq n GLY 50 N 1.39 0.28 3.11 -0.72 0.00 -1.26 -4.81 105.19 103.18 1vyq n GLY 50 Ca 0.11 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 1vyq n GLY 50 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vyq s ILE 51 N -2.32 0.17 0.24 -0.61 -0.00 -1.26 -1.78 121.20 115.64 1vyq s ILE 51 Ca 0.00 -1.84 0.04 0.00 -0.00 0.00 0.00 60.65 58.85 1vyq s ILE 51 Cb 0.00 -1.72 -0.05 0.00 -0.00 0.00 0.00 42.46 40.69 1vyq s ILE 51 CO 0.00 -0.79 -0.01 -0.54 -0.00 0.00 0.00 174.94 173.60 1vyq s LYS 52 N -3.97 1.36 -0.29 0.37 -0.14 -0.33 -0.94 119.74 115.80 1vyq s LYS 52 Ca 0.13 -1.69 -0.26 0.00 -1.36 0.00 0.00 55.97 52.80 1vyq s LYS 52 Cb 0.08 -0.68 0.18 0.00 -1.68 0.00 0.00 37.83 35.73 1vyq s LYS 52 CO -0.06 -0.08 1.35 0.00 -0.76 0.00 0.00 175.35 175.80 1vyq s ALA 53 N -3.37 -2.16 0.05 5.17 0.00 -1.26 -1.86 121.76 118.32 1vyq s ALA 53 Ca 0.28 1.74 0.06 0.00 0.00 0.00 0.00 51.96 54.04 1vyq s ALA 53 Cb 0.05 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1vyq s ALA 53 CO 0.09 -0.15 -0.18 0.42 0.00 0.00 0.00 175.76 175.94 1vyq s ILE 54 N -0.16 1.41 0.09 0.00 -1.09 -1.17 -4.84 121.20 115.44 1vyq s ILE 54 Ca 0.07 -1.15 0.09 0.00 -2.23 0.00 0.00 60.65 57.42 1vyq s ILE 54 Cb -0.04 -1.25 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 1vyq s ILE 54 CO -0.12 0.07 -0.20 0.00 -1.23 0.00 0.00 174.94 173.45 1vyq s ALA 55 N -0.88 2.56 -0.01 9.38 0.00 -1.26 -2.23 121.76 129.33 1vyq s ALA 55 Ca 0.04 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1vyq s ALA 55 Cb -0.09 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 1vyq s ALA 55 CO 0.02 0.57 -0.08 -0.51 0.00 0.00 0.00 175.76 175.77 1vyq s LEU 56 N -1.82 1.97 0.10 0.00 1.43 -0.15 -0.58 118.68 119.64 1vyq s LEU 56 Ca 0.16 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1vyq s LEU 56 Cb -0.10 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 1vyq s LEU 56 CO 0.07 0.09 0.05 0.00 0.23 0.00 0.00 176.35 176.78 1vyq s GLN 57 N -0.11 0.82 -0.14 1.70 -2.07 -0.83 -1.15 119.66 117.88 1vyq s GLN 57 Ca 0.02 -1.31 -0.31 0.00 -1.82 0.00 0.00 55.36 51.93 1vyq s GLN 57 Cb -0.04 0.25 -0.09 0.00 -1.09 0.00 0.00 33.01 32.04 1vyq s GLN 57 CO -0.00 -0.22 2.06 0.98 -1.32 0.00 0.00 175.29 176.80 1vyq n TYR 58 N -0.02 2.14 -2.03 9.60 4.19 -1.26 -2.32 117.16 127.45 1vyq n TYR 58 Ca -0.09 -0.09 -0.39 0.00 3.31 0.00 0.00 57.90 60.64 1vyq n TYR 58 Cb 0.63 -2.70 -0.00 0.00 0.49 0.00 0.00 39.34 37.76 1vyq n TYR 58 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1vyq s LYS 59 N 5.25 3.94 0.37 2.98 2.36 -1.25 -4.94 119.74 128.44 1vyq s LYS 59 Ca 0.97 2.18 0.04 0.00 -2.55 0.00 0.00 55.97 56.61 1vyq s LYS 59 Cb -0.55 -2.74 -0.05 0.00 -1.05 0.00 0.00 37.83 33.44 1vyq s LYS 59 CO 0.44 -0.52 0.06 -1.54 1.55 0.00 0.00 175.35 175.34 1vyq s SER 60 N -0.72 2.85 0.16 1.43 1.04 -1.26 -5.06 113.70 112.13 1vyq s SER 60 Ca 0.57 -1.47 -0.28 0.00 0.48 0.00 0.00 55.95 55.25 1vyq s SER 60 Cb -0.38 0.06 -0.07 0.00 0.10 0.00 0.00 66.02 65.72 1vyq s SER 60 CO 0.49 -0.68 0.89 0.20 0.98 0.00 0.00 173.24 175.13 1vyq s ASN 61 N -3.58 7.49 0.07 7.02 -0.87 -1.26 -5.07 114.94 118.74 1vyq s ASN 61 Ca 0.31 1.77 0.01 0.00 -1.57 0.00 0.00 52.86 53.38 1vyq s ASN 61 Cb 0.07 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.70 1vyq s ASN 61 CO 0.14 0.08 -0.06 -0.72 -2.57 0.00 0.00 177.10 173.97 1vyq s TYR 62 N -0.65 0.72 -0.02 2.20 -0.85 -1.26 -5.15 117.35 112.34 1vyq s TYR 62 Ca 0.41 -0.82 -0.21 0.00 -0.52 0.00 0.00 57.07 55.93 1vyq s TYR 62 Cb -0.24 -0.44 -0.05 0.00 0.38 0.00 0.00 41.96 41.61 1vyq s TYR 62 CO 0.29 -0.18 0.62 -0.47 -1.52 0.00 0.00 175.55 174.29 1vyq s TYR 63 N -2.99 3.65 -0.16 -3.49 6.04 -1.26 -5.05 117.35 114.09 1vyq s TYR 63 Ca 0.04 1.20 -0.13 0.00 0.04 0.00 0.00 57.07 58.22 1vyq s TYR 63 Cb 0.01 -2.66 0.04 0.00 -1.04 0.00 0.00 41.96 38.32 1vyq s TYR 63 CO -0.04 0.28 0.42 -0.47 -1.54 0.00 0.00 175.55 174.19 1vyq s TYR 64 N 0.09 -0.49 nan 4.97 6.14 -1.26 -5.13 117.35 nan 1vyq s TYR 64 Ca 0.32 1.15 nan 0.00 0.64 0.00 0.00 57.07 nan 1vyq s TYR 64 Cb -0.18 0.18 nan 0.00 0.42 0.00 0.00 41.96 nan 1vyq s TYR 64 CO 0.17 -0.25 nan 1.63 0.64 0.00 0.00 175.55 nan 1vyq n LYS 65 N 3.14 nan 0.00 4.97 4.76 -1.26 -5.34 118.16 nan 1vyq n LYS 65 Ca -0.15 nan 0.00 0.00 -2.87 0.00 0.00 58.31 nan 1vyq n LYS 65 Cb 0.57 nan 0.00 0.00 -1.84 0.00 0.00 35.03 nan 1vyq n LYS 65 CO 0.00 nan 0.00 0.09 -1.37 0.00 0.00 177.40 nan 1vyq n ASN 80 N nan 0.00 -4.08 4.39 5.03 -1.26 -5.35 115.26 nan 1vyq n ASN 80 Ca nan 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 nan 1vyq n ASN 80 Cb nan 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 nan 1vyq n ASN 80 CO nan 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 nan 1vyq s ILE 81 N 0.00 1.85 0.05 2.41 1.01 -1.26 -3.94 121.20 121.33 1vyq s ILE 81 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1vyq s ILE 81 Cb 0.00 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1vyq s ILE 81 CO 0.00 0.51 0.23 0.68 0.00 0.00 0.00 174.94 176.35 1vyq s VAL 82 N 1.37 5.37 0.95 2.92 -7.23 -0.98 -4.94 120.40 117.85 1vyq s VAL 82 Ca 0.05 -0.27 -0.11 0.00 -1.81 0.00 0.00 61.98 59.84 1vyq s VAL 82 Cb -0.13 -3.61 0.16 0.00 0.56 0.00 0.00 36.38 33.36 1vyq s VAL 82 CO -0.12 0.18 1.09 0.20 -0.31 0.00 0.00 175.10 176.14 1vyq s ASN 83 N -2.35 2.87 0.04 4.85 -0.87 -1.26 -1.96 114.94 116.26 1vyq s ASN 83 Ca 0.34 1.76 -0.18 0.00 -1.57 0.00 0.00 52.86 53.21 1vyq s ASN 83 Cb -0.13 -2.37 0.03 0.00 -0.02 0.00 0.00 41.25 38.77 1vyq s ASN 83 CO 0.25 -3.06 0.40 0.28 -2.57 0.00 0.00 177.10 172.40 1vyq s THR 84 N -2.74 0.06 0.62 1.60 -1.32 0.26 -4.75 115.64 109.37 1vyq s THR 84 Ca 0.65 -0.47 -0.18 0.00 -1.21 0.00 0.00 61.69 60.48 1vyq s THR 84 Cb -0.21 -0.93 -0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1vyq s THR 84 CO 0.59 -0.26 1.24 -0.44 -2.21 0.00 0.00 174.62 173.54 1vyq s SER 85 N -1.96 4.89 0.17 8.08 0.01 -1.26 -4.14 113.70 119.49 1vyq s SER 85 Ca -0.06 2.47 0.01 0.00 1.31 0.00 0.00 55.95 59.68 1vyq s SER 85 Cb -0.01 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.61 1vyq s SER 85 CO -0.02 -1.80 0.20 2.22 0.41 0.00 0.00 173.24 174.26 1vyq n PHE 86 N -1.80 -0.76 -4.47 2.43 -1.74 -0.30 -4.65 117.46 106.16 1vyq n PHE 86 Ca 0.14 -1.19 -0.21 0.00 -0.56 0.00 0.00 57.45 55.63 1vyq n PHE 86 Cb 0.49 0.23 -0.14 0.00 1.52 0.00 0.00 39.48 41.58 1vyq n PHE 86 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1vyq s LEU 87 N 0.00 2.11 -0.39 5.98 1.43 0.27 -0.95 118.68 127.13 1vyq s LEU 87 Ca 0.15 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1vyq s LEU 87 Cb -0.00 -0.65 0.04 0.00 0.03 0.00 0.00 46.19 45.61 1vyq s LEU 87 CO 0.11 0.09 0.23 -0.22 0.23 0.00 0.00 176.35 176.80 1vyq s LEU 88 N -0.79 4.88 0.26 1.79 2.96 -0.08 -0.07 118.68 127.63 1vyq s LEU 88 Ca 0.03 -1.14 -0.00 0.00 -0.22 0.00 0.00 54.13 52.80 1vyq s LEU 88 Cb -0.07 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1vyq s LEU 88 CO 0.00 -0.44 0.45 -0.36 -1.32 0.00 0.00 176.35 174.68 1vyq s PHE 89 N 1.53 3.48 0.77 5.38 0.40 0.52 -1.40 117.98 128.66 1vyq s PHE 89 Ca 0.02 0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 56.59 1vyq s PHE 89 Cb -0.20 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.51 1vyq s PHE 89 CO 0.06 0.29 1.09 -2.14 0.70 0.00 0.00 175.22 175.22 1vyq s PRO 90 N -3.68 2.31 0.39 0.24 0.02 -1.26 -1.09 135.00 131.92 1vyq s PRO 90 Ca 0.39 1.16 -0.09 0.00 0.02 0.00 0.00 61.00 62.48 1vyq s PRO 90 Cb -0.10 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 1vyq s PRO 90 CO 0.31 -1.60 0.73 1.03 -0.33 0.00 0.00 177.00 177.14 1vyq s ARG 91 N -4.89 3.74 0.41 5.54 0.52 -0.74 -4.64 118.95 118.89 1vyq s ARG 91 Ca 0.61 0.38 0.20 0.00 -0.52 0.00 0.00 55.73 56.39 1vyq s ARG 91 Cb -0.17 -2.43 1.13 0.00 0.52 0.00 0.00 34.95 34.00 1vyq s ARG 91 CO 0.56 0.00 1.78 0.77 0.02 0.00 0.00 175.30 178.43 1vyq h SER 92 N 1.29 0.41 1.26 0.23 0.02 -1.96 -2.19 113.55 112.62 1vyq h SER 92 Ca -0.47 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1vyq h SER 92 Cb 1.19 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1vyq h SER 92 CO 0.64 0.08 -0.01 0.77 -1.14 0.00 0.00 176.83 177.18 1vyq h SER 93 N 0.37 0.00 -0.13 3.07 4.64 -1.92 -2.99 113.55 116.59 1vyq h SER 93 Ca 0.58 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.94 1vyq h SER 93 Cb 1.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.62 1vyq h SER 93 CO -0.27 0.01 0.31 -0.29 -0.87 0.00 0.00 176.83 175.72 1vyq h ILE 94 N 0.00 0.16 0.00 0.95 2.10 -1.66 -2.64 117.51 116.43 1vyq h ILE 94 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1vyq h ILE 94 Cb 0.64 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 1vyq h ILE 94 CO 0.00 0.00 0.00 0.77 -1.08 0.00 0.00 178.15 177.84 1vyq h SER 95 N 0.00 0.00 -0.19 2.19 4.64 -1.74 -1.26 113.55 117.19 1vyq h SER 95 Ca 0.06 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 1vyq h SER 95 Cb 0.68 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.71 1vyq h SER 95 CO -0.00 0.00 0.11 0.29 -0.87 0.00 0.00 176.83 176.36 1vyq n LYS 96 N -2.49 1.36 -4.10 4.77 4.01 -0.99 -4.85 118.16 115.87 1vyq n LYS 96 Ca 0.05 -0.63 -0.10 0.00 -0.51 0.00 0.00 58.31 57.11 1vyq n LYS 96 Cb 0.42 -1.32 -0.09 0.00 -0.51 0.00 0.00 35.03 33.53 1vyq n LYS 96 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1vyq s THR 97 N -0.81 0.07 -1.83 -0.18 -4.23 -0.47 -5.02 115.64 103.16 1vyq s THR 97 Ca 0.12 -1.77 0.14 0.00 -1.18 0.00 0.00 61.69 59.00 1vyq s THR 97 Cb 0.10 -2.09 0.42 0.00 1.34 0.00 0.00 72.50 72.27 1vyq s THR 97 CO 0.02 -0.30 1.34 -0.81 -0.54 0.00 0.00 174.62 174.33 1vyq n PRO 98 N -0.18 2.23 -3.08 3.99 -0.04 -1.26 -4.93 135.00 131.74 1vyq n PRO 98 Ca -0.04 -1.71 -0.39 0.00 -0.04 0.00 0.00 63.50 61.31 1vyq n PRO 98 Cb 0.64 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.61 1vyq n PRO 98 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vyq s LEU 99 N -1.08 4.45 0.05 1.53 1.43 -1.25 -1.08 118.68 122.72 1vyq s LEU 99 Ca 0.31 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 1vyq s LEU 99 Cb 0.17 -3.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 1vyq s LEU 99 CO 0.20 0.07 -0.10 -0.13 0.23 0.00 0.00 176.35 176.61 1vyq s ARG 100 N -0.20 0.66 -0.31 1.70 1.81 -0.40 -4.77 118.95 117.43 1vyq s ARG 100 Ca 0.35 -0.80 -0.27 0.00 -1.72 0.00 0.00 55.73 53.29 1vyq s ARG 100 Cb -0.20 -0.55 0.01 0.00 -0.45 0.00 0.00 34.95 33.77 1vyq s ARG 100 CO 0.21 0.12 0.98 -1.17 -0.68 0.00 0.00 175.30 174.75 1vyq s LEU 101 N -1.51 3.99 0.17 2.53 2.96 -1.26 -0.26 118.68 125.30 1vyq s LEU 101 Ca -0.05 0.92 -0.14 0.00 -0.22 0.00 0.00 54.13 54.63 1vyq s LEU 101 Cb -0.09 -3.39 0.12 0.00 0.50 0.00 0.00 46.19 43.33 1vyq s LEU 101 CO 0.01 -0.79 1.76 0.00 -1.32 0.00 0.00 176.35 176.01 1vyq h ALA 102 N 8.09 0.53 -0.34 5.97 0.00 -1.71 -1.68 119.26 130.12 1vyq h ALA 102 Ca -0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1vyq h ALA 102 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1vyq h ALA 102 CO 0.98 -0.21 0.00 0.27 0.00 0.00 0.00 179.25 180.29 1vyq n ASN 103 N -4.98 3.62 0.00 0.00 2.04 -1.26 -4.98 115.26 109.70 1vyq n ASN 103 Ca 0.03 -2.49 0.00 0.00 -0.44 0.00 0.00 54.58 51.68 1vyq n ASN 103 Cb 0.15 -0.58 0.00 0.00 -2.53 0.00 0.00 39.78 36.82 1vyq n ASN 103 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1vyq n SER 104 N 0.39 0.00 -3.71 0.53 7.64 -0.63 -4.40 113.62 113.44 1vyq n SER 104 Ca 0.16 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.84 1vyq n SER 104 Cb 0.76 0.00 -0.18 0.00 -1.01 0.00 0.00 64.21 63.79 1vyq n SER 104 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1vyq s ILE 105 N 0.00 -0.01 0.31 0.44 -1.09 -1.26 -4.56 121.20 115.03 1vyq s ILE 105 Ca 0.00 0.34 -0.29 0.00 -2.23 0.00 0.00 60.65 58.47 1vyq s ILE 105 Cb 0.00 -0.21 -0.10 0.00 -1.58 0.00 0.00 42.46 40.58 1vyq s ILE 105 CO 0.00 0.18 1.18 -0.83 -1.23 0.00 0.00 174.94 174.24 1vyq s GLY 106 N 1.95 3.02 -0.17 6.18 0.00 -0.49 -4.87 107.32 112.94 1vyq s GLY 106 Ca 0.03 1.02 -0.00 0.00 0.00 0.00 0.00 44.72 45.77 1vyq s GLY 106 CO -0.03 1.63 -0.14 -2.27 0.00 0.00 0.00 173.10 172.28 1vyq s LEU 107 N -1.71 2.50 -0.15 0.66 2.96 -1.26 -0.91 118.68 120.77 1vyq s LEU 107 Ca 0.48 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1vyq s LEU 107 Cb -0.34 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1vyq s LEU 107 CO 0.44 0.07 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.73 1vyq s ILE 108 N 0.93 2.38 0.50 6.68 1.01 -0.12 -5.01 121.20 127.57 1vyq s ILE 108 Ca -0.03 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 1vyq s ILE 108 Cb -0.15 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1vyq s ILE 108 CO -0.02 0.53 0.82 -0.62 0.00 0.00 0.00 174.94 175.65 1vyq s ASP 109 N 0.88 6.22 0.38 3.58 -1.08 -1.26 -1.15 116.67 124.23 1vyq s ASP 109 Ca -0.05 0.97 0.11 0.00 -0.52 0.00 0.00 52.55 53.06 1vyq s ASP 109 Cb -0.15 -2.24 0.89 0.00 -1.46 0.00 0.00 42.92 39.96 1vyq s ASP 109 CO -0.02 -0.64 1.88 0.00 0.52 0.00 0.00 175.17 176.91 1vyq h ALA 110 N 0.14 1.92 -0.31 3.66 0.00 -1.93 -2.95 119.26 119.79 1vyq h ALA 110 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1vyq h ALA 110 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1vyq h ALA 110 CO 0.62 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1vyq n GLY 111 N -1.46 1.79 3.74 0.00 0.00 -1.26 -4.80 105.19 103.21 1vyq n GLY 111 Ca 0.17 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1vyq n GLY 111 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vyq s TYR 112 N -1.77 3.92 0.00 1.61 5.04 -1.12 -4.86 117.35 120.18 1vyq s TYR 112 Ca 0.26 1.87 0.11 0.00 -2.44 0.00 0.00 57.07 56.87 1vyq s TYR 112 Cb 0.18 -3.01 0.18 0.00 0.35 0.00 0.00 41.96 39.66 1vyq s TYR 112 CO 0.10 0.35 1.01 0.54 -1.34 0.00 0.00 175.55 176.21 1vyq n ARG 113 N 1.92 0.00 -1.93 4.97 5.12 -1.26 -4.81 116.66 120.66 1vyq n ARG 113 Ca -0.01 -1.30 -0.07 0.00 -1.93 0.00 0.00 57.85 54.54 1vyq n ARG 113 Cb 0.48 -0.07 0.01 0.00 -1.16 0.00 0.00 32.46 31.72 1vyq n ARG 113 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vyq n GLY 114 N 0.21 2.39 3.73 -0.13 0.00 -1.26 -4.93 105.19 105.20 1vyq n GLY 114 Ca -0.02 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1vyq n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vyq s GLU 115 N -2.81 4.58 -0.01 1.61 2.12 -1.26 -4.37 118.70 118.55 1vyq s GLU 115 Ca 0.16 1.63 -0.30 0.00 0.36 0.00 0.00 54.97 56.81 1vyq s GLU 115 Cb -0.01 -3.34 -0.07 0.00 0.26 0.00 0.00 34.13 30.97 1vyq s GLU 115 CO 0.10 0.02 1.72 0.42 -0.54 0.00 0.00 175.26 176.98 1vyq s ILE 116 N 0.25 3.35 0.10 -3.70 -1.09 -0.11 -4.96 121.20 115.04 1vyq s ILE 116 Ca 0.51 0.52 0.10 0.00 -2.23 0.00 0.00 60.65 59.54 1vyq s ILE 116 Cb -0.27 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1vyq s ILE 116 CO 0.32 -0.04 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.11 1vyq s ILE 117 N 3.84 2.02 -0.28 2.92 1.01 -1.26 -1.80 121.20 127.65 1vyq s ILE 117 Ca 0.77 -1.57 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1vyq s ILE 117 Cb -0.37 -1.79 0.07 0.00 0.01 0.00 0.00 42.46 40.39 1vyq s ILE 117 CO 0.33 0.11 -0.05 0.00 0.00 0.00 0.00 174.94 175.33 1vyq s ALA 118 N -1.01 2.49 -0.63 9.38 0.00 0.26 -4.94 121.76 127.30 1vyq s ALA 118 Ca 0.11 -1.87 -0.27 0.00 0.00 0.00 0.00 51.96 49.93 1vyq s ALA 118 Cb -0.10 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1vyq s ALA 118 CO 0.04 -1.34 1.56 0.00 0.00 0.00 0.00 175.76 176.03 1vyq s ALA 119 N 1.13 2.54 -0.19 0.00 0.00 -1.26 -1.81 121.76 122.17 1vyq s ALA 119 Ca -0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 1vyq s ALA 119 Cb -0.19 -4.23 -0.02 0.00 0.00 0.00 0.00 23.12 18.68 1vyq s ALA 119 CO -0.07 -3.41 -0.01 -0.51 0.00 0.00 0.00 175.76 171.76 1vyq s LEU 120 N 7.18 3.19 0.04 0.00 1.43 -0.51 -1.80 118.68 128.21 1vyq s LEU 120 Ca 0.54 -0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 1vyq s LEU 120 Cb -0.11 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1vyq s LEU 120 CO 0.20 0.07 0.83 -1.81 0.23 0.00 0.00 176.35 175.87 1vyq s ASP 121 N 0.96 7.27 -0.23 2.29 -0.00 0.65 -1.28 116.67 126.32 1vyq s ASP 121 Ca 0.01 1.52 -0.15 0.00 -0.00 0.00 0.00 52.55 53.94 1vyq s ASP 121 Cb -0.14 -2.50 -0.04 0.00 -0.00 0.00 0.00 42.92 40.23 1vyq s ASP 121 CO 0.01 -0.05 0.35 0.21 -0.00 0.00 0.00 175.17 175.69 1vyq s ASN 122 N 0.18 6.31 0.00 0.27 2.47 0.19 -1.28 114.94 123.09 1vyq s ASN 122 Ca 0.42 0.36 0.19 0.00 0.42 0.00 0.00 52.86 54.25 1vyq s ASN 122 Cb -0.21 -2.20 0.47 0.00 -1.45 0.00 0.00 41.25 37.86 1vyq s ASN 122 CO 0.25 -0.09 1.39 0.35 -3.72 0.00 0.00 177.10 175.27 1vyq n THR 123 N 4.63 0.83 -2.92 -5.21 -2.24 -0.24 -2.12 114.28 107.01 1vyq n THR 123 Ca -0.09 -0.91 -0.35 0.00 -2.27 0.00 0.00 64.05 60.42 1vyq n THR 123 Cb 0.51 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 1vyq n THR 123 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1vyq s SER 124 N -1.11 7.08 -0.18 3.42 0.15 -1.26 -4.79 113.70 117.02 1vyq s SER 124 Ca 0.38 1.61 0.01 0.00 0.70 0.00 0.00 55.95 58.65 1vyq s SER 124 Cb 0.20 -2.50 0.23 0.00 -1.71 0.00 0.00 66.02 62.24 1vyq s SER 124 CO 0.27 -0.14 1.45 -0.90 1.20 0.00 0.00 173.24 175.12 1vyq n ASP 125 N 0.15 3.77 -4.04 5.45 5.75 -1.26 -1.14 116.55 125.23 1vyq n ASP 125 Ca 0.02 -2.64 -0.10 0.00 -0.01 0.00 0.00 54.79 52.07 1vyq n ASP 125 Cb 0.52 -0.70 -0.08 0.00 -1.03 0.00 0.00 41.12 39.83 1vyq n ASP 125 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1vyq s GLN 126 N -1.23 1.16 0.80 0.11 -1.52 -1.26 -4.94 119.66 112.77 1vyq s GLN 126 Ca 0.21 -1.30 -0.13 0.00 -1.95 0.00 0.00 55.36 52.19 1vyq s GLN 126 Cb 0.18 0.35 0.08 0.00 -0.22 0.00 0.00 33.01 33.39 1vyq s GLN 126 CO 0.03 -0.41 1.18 -1.21 -0.25 0.00 0.00 175.29 174.63 1vyq s GLU 127 N -4.02 1.74 -0.05 2.91 2.02 -1.26 -3.67 118.70 116.37 1vyq s GLU 127 Ca 0.22 1.65 -0.01 0.00 0.02 0.00 0.00 54.97 56.85 1vyq s GLU 127 Cb 0.04 -1.80 0.03 0.00 0.10 0.00 0.00 34.13 32.50 1vyq s GLU 127 CO 0.03 -2.11 0.02 -0.47 0.02 0.00 0.00 175.26 172.75 1vyq s TYR 128 N -2.28 0.34 -0.28 1.61 5.04 -1.08 -4.94 117.35 115.76 1vyq s TYR 128 Ca 0.71 0.04 -0.20 0.00 -2.44 0.00 0.00 57.07 55.18 1vyq s TYR 128 Cb -0.26 -0.56 -0.02 0.00 0.35 0.00 0.00 41.96 41.47 1vyq s TYR 128 CO 0.51 -0.22 0.60 -1.01 -1.34 0.00 0.00 175.55 174.08 1vyq s HIS 129 N 1.75 3.24 -0.16 4.97 3.76 -1.26 -2.11 115.29 125.49 1vyq s HIS 129 Ca 0.00 0.64 -0.14 0.00 -0.15 0.00 0.00 55.06 55.42 1vyq s HIS 129 Cb -0.13 -2.88 -0.05 0.00 1.11 0.00 0.00 32.58 30.64 1vyq s HIS 129 CO -0.03 -0.39 0.29 0.96 -0.85 0.00 0.00 174.74 174.71 1vyq s ILE 130 N 2.50 5.31 0.21 0.60 -4.36 0.09 -4.99 121.20 120.56 1vyq s ILE 130 Ca 0.24 0.53 -0.03 0.00 -0.26 0.00 0.00 60.65 61.13 1vyq s ILE 130 Cb -0.15 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 39.88 1vyq s ILE 130 CO 0.10 0.40 0.43 -0.54 0.24 0.00 0.00 174.94 175.57 1vyq s LYS 131 N 0.42 3.59 0.50 0.37 -0.14 -1.26 -1.93 119.74 121.28 1vyq s LYS 131 Ca 0.16 -0.16 -0.23 0.00 -1.36 0.00 0.00 55.97 54.39 1vyq s LYS 131 Cb -0.13 -2.78 -0.06 0.00 -1.68 0.00 0.00 37.83 33.17 1vyq s LYS 131 CO 0.04 0.37 1.34 -1.59 -0.76 0.00 0.00 175.35 174.74 1vyq s LYS 132 N -3.17 3.42 0.00 1.68 -2.85 -1.26 -2.42 119.74 115.14 1vyq s LYS 132 Ca 0.41 2.19 0.00 0.00 -1.00 0.00 0.00 55.97 57.57 1vyq s LYS 132 Cb -0.11 -2.40 0.00 0.00 -2.06 0.00 0.00 37.83 33.26 1vyq s LYS 132 CO 0.28 -0.96 0.00 0.09 0.10 0.00 0.00 175.35 174.86 1vyq n ASN 133 N -0.68 0.00 -4.63 0.03 3.02 -0.95 -4.99 115.26 107.06 1vyq n ASN 133 Ca 0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.31 1vyq n ASN 133 Cb 0.45 -0.83 0.14 0.00 -0.61 0.00 0.00 39.78 38.92 1vyq n ASN 133 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1vyq n ASP 134 N 0.00 0.19 -3.62 6.41 8.00 -1.01 -4.81 116.55 121.71 1vyq n ASP 134 Ca 0.00 0.48 -0.29 0.00 0.71 0.00 0.00 54.79 55.69 1vyq n ASP 134 Cb 0.00 -1.44 -0.15 0.00 -0.02 0.00 0.00 41.12 39.51 1vyq n ASP 134 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1vyq s LYS 135 N -4.19 0.44 0.00 -1.24 3.01 -1.26 -1.53 119.74 114.97 1vyq s LYS 135 Ca 0.68 -0.81 0.09 0.00 -1.01 0.00 0.00 55.97 54.92 1vyq s LYS 135 Cb -0.26 -1.53 0.03 0.00 -1.01 0.00 0.00 37.83 35.07 1vyq s LYS 135 CO 0.56 -1.02 0.68 1.28 0.51 0.00 0.00 175.35 177.37 1vyq n LEU 136 N 5.01 1.43 -3.56 3.17 4.77 -1.26 -4.78 117.00 121.77 1vyq n LEU 136 Ca -0.03 -0.87 -0.16 0.00 -0.03 0.00 0.00 56.01 54.92 1vyq n LEU 136 Cb 0.42 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1vyq n LEU 136 CO 0.08 0.28 0.47 -0.69 -1.33 0.00 0.00 177.39 176.20 1vyq s VAL 137 N -1.06 0.00 0.04 4.08 1.01 -1.26 -1.79 120.40 121.41 1vyq s VAL 137 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1vyq s VAL 137 Cb 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1vyq s VAL 137 CO 0.18 0.00 0.20 0.00 0.00 0.00 0.00 175.10 175.48 1vyq s GLN 138 N -0.69 0.68 -0.17 2.72 -2.07 -0.25 -0.89 119.66 118.99 1vyq s GLN 138 Ca -0.07 -0.60 -0.10 0.00 -1.82 0.00 0.00 55.36 52.77 1vyq s GLN 138 Cb -0.02 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.14 1vyq s GLN 138 CO 0.06 -0.20 0.15 -0.51 -1.32 0.00 0.00 175.29 173.48 1vyq s LEU 139 N -2.03 4.27 0.06 2.60 1.02 -0.83 -0.36 118.68 123.41 1vyq s LEU 139 Ca -0.06 0.33 0.00 0.00 0.02 0.00 0.00 54.13 54.43 1vyq s LEU 139 Cb -0.02 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 1vyq s LEU 139 CO -0.03 0.24 -0.04 0.54 0.02 0.00 0.00 176.35 177.07 1vyq s VAL 140 N -0.02 0.37 0.26 -1.59 0.11 0.90 -2.30 120.40 118.13 1vyq s VAL 140 Ca 0.11 -1.65 -0.07 0.00 -2.93 0.00 0.00 61.98 57.43 1vyq s VAL 140 Cb -0.12 -1.30 -0.06 0.00 -1.53 0.00 0.00 36.38 33.37 1vyq s VAL 140 CO 0.00 -0.84 0.56 -0.55 -3.33 0.00 0.00 175.10 170.94 1vyq s SER 141 N -2.63 6.54 0.59 3.54 0.15 -1.26 -0.57 113.70 120.07 1vyq s SER 141 Ca 0.04 0.83 0.30 0.00 0.70 0.00 0.00 55.95 57.82 1vyq s SER 141 Cb 0.03 -2.19 1.83 0.00 -1.71 0.00 0.00 66.02 63.98 1vyq s SER 141 CO -0.06 -0.14 2.25 -0.26 1.20 0.00 0.00 173.24 176.23 1vyq h PHE 142 N 2.11 0.00 0.00 3.44 0.04 -1.94 -1.75 116.94 118.84 1vyq h PHE 142 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1vyq h PHE 142 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1vyq h PHE 142 CO 0.60 0.00 -0.42 1.79 -0.60 0.00 0.00 178.31 179.68 1vyq h THR 143 N 0.00 0.00 -0.00 -1.55 1.35 -1.97 -3.48 112.91 107.26 1vyq h THR 143 Ca 0.01 -0.55 -0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1vyq h THR 143 Cb 0.03 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1vyq h THR 143 CO -0.00 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1vyq n GLY 144 N 1.30 0.26 3.82 5.82 0.00 -0.66 -5.00 105.19 110.73 1vyq n GLY 144 Ca 0.04 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1vyq n GLY 144 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vyq s GLU 145 N -1.00 3.02 0.85 1.61 -1.05 -1.26 -4.69 118.70 116.18 1vyq s GLU 145 Ca 0.00 1.00 -0.12 0.00 -0.15 0.00 0.00 54.97 55.70 1vyq s GLU 145 Cb 0.00 -2.00 0.11 0.00 -0.44 0.00 0.00 34.13 31.80 1vyq s GLU 145 CO 0.00 -1.03 1.18 -2.14 0.95 0.00 0.00 175.26 174.22 1vyq s PRO 146 N -4.85 1.36 -0.06 -4.83 0.02 -1.26 -4.58 135.00 120.80 1vyq s PRO 146 Ca 0.59 1.68 0.05 0.00 0.02 0.00 0.00 61.00 63.34 1vyq s PRO 146 Cb -0.14 -1.75 -0.00 0.00 0.02 0.00 0.00 34.50 32.62 1vyq s PRO 146 CO 0.51 -2.40 -0.21 -0.51 -0.33 0.00 0.00 177.00 174.06 1vyq s LEU 147 N -6.08 1.98 0.11 -5.54 1.43 -1.15 -2.29 118.68 107.15 1vyq s LEU 147 Ca 0.71 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1vyq s LEU 147 Cb -0.26 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1vyq s LEU 147 CO 0.54 0.18 0.10 -0.94 0.23 0.00 0.00 176.35 176.46 1vyq s SER 148 N 0.07 5.55 0.32 2.29 1.04 -0.54 -4.98 113.70 117.46 1vyq s SER 148 Ca -0.07 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.34 1vyq s SER 148 Cb -0.14 -1.48 -0.05 0.00 0.10 0.00 0.00 66.02 64.45 1vyq s SER 148 CO 0.04 0.13 0.09 0.72 0.98 0.00 0.00 173.24 175.20 1vyq s PHE 149 N -1.53 1.80 -0.23 5.02 -0.12 -1.26 0.80 117.98 122.46 1vyq s PHE 149 Ca 0.30 -1.10 -0.14 0.00 -0.05 0.00 0.00 56.93 55.94 1vyq s PHE 149 Cb -0.11 -1.14 0.07 0.00 -0.63 0.00 0.00 43.02 41.20 1vyq s PHE 149 CO 0.23 -0.17 0.57 -2.00 -0.05 0.00 0.00 175.22 173.80 1vyq s GLU 150 N -3.89 0.59 0.01 1.99 2.12 -0.62 -4.90 118.70 114.00 1vyq s GLU 150 Ca 0.34 1.01 -0.16 0.00 0.36 0.00 0.00 54.97 56.52 1vyq s GLU 150 Cb 0.07 0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.51 1vyq s GLU 150 CO 0.15 -0.14 0.46 -0.51 -0.54 0.00 0.00 175.26 174.67 1vyq s LEU 151 N 1.37 4.48 0.10 2.70 1.43 -1.26 -1.80 118.68 125.69 1vyq s LEU 151 Ca -0.08 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.99 1vyq s LEU 151 Cb -0.06 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 1vyq s LEU 151 CO -0.14 0.29 0.17 -0.69 0.23 0.00 0.00 176.35 176.20 1vyq s VAL 152 N -0.98 0.14 -0.27 -1.59 1.01 -0.96 -4.96 120.40 112.77 1vyq s VAL 152 Ca 0.25 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.90 1vyq s VAL 152 Cb -0.17 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1vyq s VAL 152 CO 0.15 -0.61 0.31 -1.84 0.00 0.00 0.00 175.10 173.11 1vyq n GLU 153 N -0.07 3.64 0.00 2.72 0.00 -1.26 -4.22 120.64 121.45 1vyq n GLU 153 Ca -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 57.16 56.78 1vyq n GLU 153 Cb 0.62 -0.81 0.00 0.00 0.00 0.00 0.00 31.44 31.26 1vyq n GLU 153 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28