#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvi s ILE 2 N 0.00 0.13 -0.07 3.17 1.09 -1.26 -4.76 121.20 119.50 1tvi s ILE 2 Ca 0.00 -1.11 0.05 0.00 -1.10 0.00 0.00 60.65 58.49 1tvi s ILE 2 Cb 0.00 -0.62 -0.01 0.00 -1.06 0.00 0.00 42.46 40.78 1tvi s ILE 2 CO 0.00 -0.61 -0.24 -0.13 -0.10 0.00 0.00 174.94 173.86 1tvi s ARG 3 N -2.12 2.63 0.02 2.79 3.00 -0.42 -4.96 118.95 119.89 1tvi s ARG 3 Ca -0.10 -0.85 0.08 0.00 0.00 0.00 0.00 55.73 54.86 1tvi s ARG 3 Cb -0.05 -2.13 -0.02 0.00 0.00 0.00 0.00 34.95 32.75 1tvi s ARG 3 CO -0.03 0.28 -0.23 0.96 0.00 0.00 0.00 175.30 176.28 1tvi s ILE 4 N 0.06 1.84 0.14 1.52 -4.36 -1.26 -0.91 121.20 118.23 1tvi s ILE 4 Ca -0.10 -1.14 -0.10 0.00 -0.26 0.00 0.00 60.65 59.05 1tvi s ILE 4 Cb -0.15 -1.56 0.00 0.00 1.25 0.00 0.00 42.46 42.00 1tvi s ILE 4 CO 0.05 0.38 0.29 -1.48 0.24 0.00 0.00 174.94 174.42 1tvi s LEU 5 N -0.90 0.98 0.00 0.37 2.34 0.55 -4.82 118.68 117.19 1tvi s LEU 5 Ca 0.09 -0.69 0.00 0.00 0.06 0.00 0.00 54.13 53.59 1tvi s LEU 5 Cb -0.09 1.30 0.00 0.00 -0.56 0.00 0.00 46.19 46.84 1tvi s LEU 5 CO 0.01 -0.85 0.00 0.61 -1.06 0.00 0.00 176.35 175.06 1tvi n GLY 6 N -0.17 -1.90 3.04 -3.48 0.00 -1.26 -0.83 105.19 100.59 1tvi n GLY 6 Ca -0.11 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 1tvi n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvi s GLU 7 N 0.00 0.63 0.00 1.61 2.02 -0.68 -4.68 118.70 117.60 1tvi s GLU 7 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1tvi s GLU 7 Cb 0.00 -0.57 0.00 0.00 0.10 0.00 0.00 34.13 33.66 1tvi s GLU 7 CO 0.00 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.83 1tvi n GLY 8 N 2.36 3.86 3.33 -1.39 0.00 -1.26 -3.52 105.19 108.57 1tvi n GLY 8 Ca -0.16 -0.42 -0.51 0.00 0.00 0.00 0.00 46.02 44.92 1tvi n GLY 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tvi n LYS 9 N 0.00 0.00 0.00 1.61 4.81 -1.26 -3.04 118.16 120.28 1tvi n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1tvi n LYS 9 Cb 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.56 1tvi n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tvi n GLY 10 N 7.00 0.79 0.21 3.14 0.00 -1.26 -4.69 105.19 110.38 1tvi n GLY 10 Ca 0.59 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.46 1tvi n GLY 10 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1tvi h SER 11 N 0.00 -0.48 -0.45 1.61 0.87 -1.94 0.51 113.55 113.67 1tvi h SER 11 Ca 0.00 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1tvi h SER 11 Cb 0.00 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1tvi h SER 11 CO 0.00 -0.22 -0.08 0.11 -0.53 0.00 0.00 176.83 176.10 1tvi h LYS 12 N -0.26 0.90 -0.88 2.24 6.56 -1.95 -2.27 116.57 120.93 1tvi h LYS 12 Ca 0.06 -0.31 0.14 0.00 -1.06 0.00 0.00 60.65 59.48 1tvi h LYS 12 Cb 0.34 -0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 31.86 1tvi h LYS 12 CO -0.18 0.95 0.57 1.37 -2.06 0.00 0.00 179.45 180.10 1tvi h LEU 13 N 0.82 0.64 -0.01 2.94 8.10 -1.73 -0.61 115.31 125.46 1tvi h LEU 13 Ca 0.14 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.16 1tvi h LEU 13 Cb 0.60 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 40.73 1tvi h LEU 13 CO 0.04 0.33 -0.01 0.25 -4.11 0.00 0.00 178.44 174.94 1tvi h LEU 14 N 0.68 0.03 -1.93 0.17 7.12 -0.38 -2.84 115.31 118.16 1tvi h LEU 14 Ca 0.44 -0.49 0.19 0.00 0.13 0.00 0.00 57.88 58.15 1tvi h LEU 14 Cb 0.70 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.79 1tvi h LEU 14 CO -0.19 0.51 0.58 -0.33 -0.13 0.00 0.00 178.44 178.88 1tvi h GLU 15 N -0.45 0.00 -0.35 1.25 5.08 -0.64 0.85 114.58 120.32 1tvi h GLU 15 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1tvi h GLU 15 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1tvi h GLU 15 CO 0.00 0.00 0.02 -0.91 -1.00 0.00 0.00 179.01 177.13 1tvi h ASN 16 N 0.00 0.59 -0.73 1.42 4.21 -0.94 -3.08 115.58 117.05 1tvi h ASN 16 Ca 0.32 -0.29 -0.52 0.00 1.21 0.00 0.00 56.30 57.02 1tvi h ASN 16 Cb 1.47 -0.16 -0.34 0.00 -1.12 0.00 0.00 38.32 38.17 1tvi h ASN 16 CO -0.00 0.73 -0.34 0.00 -1.29 0.00 0.00 177.43 176.53 1tvi n LEU 17 N -4.53 5.38 0.23 1.61 -0.00 0.15 -4.74 117.00 115.10 1tvi n LEU 17 Ca -0.02 -4.50 -0.12 0.00 -0.00 0.00 0.00 56.01 51.37 1tvi n LEU 17 Cb 0.25 -0.53 -0.07 0.00 -0.00 0.00 0.00 43.42 43.08 1tvi n LEU 17 CO 0.39 1.84 0.38 0.50 -0.00 0.00 0.00 177.39 180.50 1tvi h LYS 18 N 1.95 -0.62 -0.00 1.47 3.64 0.53 -2.86 116.57 120.69 1tvi h LYS 18 Ca 0.39 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1tvi h LYS 18 Cb 1.37 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1tvi h LYS 18 CO 0.88 -0.33 -0.12 1.05 -2.27 0.00 0.00 179.45 178.66 1tvi h GLU 19 N -1.06 0.00 -0.94 1.90 9.09 -1.85 -1.33 114.58 120.40 1tvi h GLU 19 Ca -0.07 -0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.42 1tvi h GLU 19 Cb 0.57 -0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.61 1tvi h GLU 19 CO 0.11 0.12 0.61 -0.22 0.05 0.00 0.00 179.01 179.67 1tvi h LYS 20 N 0.00 1.00 0.07 1.06 1.63 -1.86 -0.36 116.57 118.11 1tvi h LYS 20 Ca -0.00 -0.06 -0.24 0.00 -0.85 0.00 0.00 60.65 59.49 1tvi h LYS 20 Cb 0.21 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1tvi h LYS 20 CO 0.02 0.66 -1.13 -0.07 -3.45 0.00 0.00 179.45 175.48 1tvi h LEU 21 N 1.04 0.23 -2.03 5.20 3.38 -1.05 -3.12 115.31 118.97 1tvi h LEU 21 Ca 0.42 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1tvi h LEU 21 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1tvi h LEU 21 CO -0.17 1.19 0.00 -0.33 0.09 0.00 0.00 178.44 179.22 1tvi h GLU 22 N 0.04 0.00 0.02 1.13 5.08 -0.12 -2.14 114.58 118.59 1tvi h GLU 22 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1tvi h GLU 22 Cb 1.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1tvi h GLU 22 CO 0.17 0.00 -0.01 0.93 -1.00 0.00 0.00 179.01 179.10 1tvi h GLU 23 N 0.00 -0.02 -0.32 2.33 5.08 -1.25 -2.77 114.58 117.63 1tvi h GLU 23 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1tvi h GLU 23 Cb 0.02 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1tvi h GLU 23 CO 0.00 0.55 -0.17 -0.84 -1.00 0.00 0.00 179.01 177.55 1tvi h ILE 24 N -0.98 0.50 -0.23 3.13 3.07 -1.50 1.76 117.51 123.26 1tvi h ILE 24 Ca -0.00 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.47 1tvi h ILE 24 Cb 0.58 0.50 -0.06 0.00 -0.27 0.00 0.00 36.82 37.57 1tvi h ILE 24 CO 0.00 0.00 -0.19 -0.37 -1.05 0.00 0.00 178.15 176.54 1tvi h VAL 25 N -0.12 0.48 0.00 0.16 -1.51 -1.56 0.35 116.25 114.06 1tvi h VAL 25 Ca 0.16 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.60 1tvi h VAL 25 Cb 0.37 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.01 1tvi h VAL 25 CO -0.39 0.00 -0.16 0.50 -1.23 0.00 0.00 177.57 176.28 1tvi h LYS 26 N -0.19 0.00 0.37 5.19 3.64 -0.92 0.63 116.57 125.29 1tvi h LYS 26 Ca 0.13 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1tvi h LYS 26 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1tvi h LYS 26 CO -0.35 0.16 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.60 1tvi h LYS 27 N 0.00 -0.48 0.00 1.90 3.64 0.66 -3.40 116.57 118.88 1tvi h LYS 27 Ca -0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1tvi h LYS 27 Cb 0.44 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1tvi h LYS 27 CO 0.02 -0.32 -0.18 1.49 -2.27 0.00 0.00 179.45 178.18 1tvi h GLU 28 N -0.51 0.00 0.00 1.90 4.81 -1.10 -3.50 114.58 116.18 1tvi h GLU 28 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1tvi h GLU 28 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1tvi h GLU 28 CO 0.08 0.00 0.00 1.51 -0.73 0.00 0.00 179.01 179.87 1tvi n ILE 29 N -3.35 0.00 0.00 2.32 3.06 0.19 -5.07 119.36 116.51 1tvi n ILE 29 Ca -0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 1tvi n ILE 29 Cb 0.10 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.28 1tvi n ILE 29 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1tvi n GLY 30 N 0.00 0.04 4.49 4.50 0.00 0.27 -4.78 105.19 109.72 1tvi n GLY 30 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1tvi n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tvi n ASP 31 N 0.00 -1.77 -1.74 1.61 2.03 -1.26 -4.87 116.55 110.55 1tvi n ASP 31 Ca 0.00 -1.23 -0.00 0.00 0.52 0.00 0.00 54.79 54.08 1tvi n ASP 31 Cb 0.00 -1.73 -0.00 0.00 -0.72 0.00 0.00 41.12 38.67 1tvi n ASP 31 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1tvi n VAL 32 N -4.14 0.00 -3.32 5.18 0.24 -1.26 -5.15 118.33 109.88 1tvi n VAL 32 Ca 0.08 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.34 62.29 1tvi n VAL 32 Cb 0.48 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.78 1tvi n VAL 32 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1tvi s HIS 33 N -1.27 -0.94 -0.39 6.34 3.76 -1.26 -4.93 115.29 116.59 1tvi s HIS 33 Ca 0.00 0.72 -0.10 0.00 -0.15 0.00 0.00 55.06 55.53 1tvi s HIS 33 Cb 0.00 -0.00 0.05 0.00 1.11 0.00 0.00 32.58 33.73 1tvi s HIS 33 CO 0.00 -0.82 0.22 0.08 -0.85 0.00 0.00 174.74 173.37 1tvi s VAL 34 N 2.57 4.43 -0.32 -0.90 1.01 -1.26 -3.91 120.40 122.01 1tvi s VAL 34 Ca 0.12 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 1tvi s VAL 34 Cb -0.14 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1tvi s VAL 34 CO -0.21 -0.33 0.59 0.20 0.00 0.00 0.00 175.10 175.35 1tvi s ASN 35 N 1.76 6.43 -0.21 3.32 0.02 -0.65 -1.30 114.94 124.32 1tvi s ASN 35 Ca 0.02 0.28 -0.09 0.00 -1.02 0.00 0.00 52.86 52.05 1tvi s ASN 35 Cb -0.21 -2.31 -0.04 0.00 0.02 0.00 0.00 41.25 38.71 1tvi s ASN 35 CO 0.05 -0.49 0.11 -0.69 0.02 0.00 0.00 177.10 176.10 1tvi s VAL 36 N 2.56 5.07 -0.28 1.60 1.01 -0.08 0.94 120.40 131.21 1tvi s VAL 36 Ca 0.23 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 1tvi s VAL 36 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1tvi s VAL 36 CO 0.13 0.42 0.06 -0.63 0.00 0.00 0.00 175.10 175.08 1tvi s ILE 37 N 0.62 3.90 -0.36 2.22 1.09 0.12 0.21 121.20 128.99 1tvi s ILE 37 Ca 0.06 -0.64 -0.23 0.00 -1.10 0.00 0.00 60.65 58.74 1tvi s ILE 37 Cb -0.12 -2.97 0.01 0.00 -1.06 0.00 0.00 42.46 38.31 1tvi s ILE 37 CO 0.01 0.14 0.76 -0.76 -0.10 0.00 0.00 174.94 174.99 1tvi s LEU 38 N 1.50 4.14 -0.01 2.97 1.43 -0.01 -0.59 118.68 128.11 1tvi s LEU 38 Ca 0.03 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1tvi s LEU 38 Cb -0.17 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1tvi s LEU 38 CO 0.02 -0.70 -0.03 0.68 0.23 0.00 0.00 176.35 176.55 1tvi s VAL 39 N 3.03 0.30 0.00 -1.59 -7.23 -0.66 -1.69 120.40 112.56 1tvi s VAL 39 Ca 0.30 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1tvi s VAL 39 Cb -0.13 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.52 1tvi s VAL 39 CO 0.16 0.11 0.00 -1.54 -0.31 0.00 0.00 175.10 173.52 1tvi n SER 40 N 3.25 -0.07 -0.02 4.85 3.41 -1.26 -3.76 113.62 120.02 1tvi n SER 40 Ca -0.16 -0.52 -0.13 0.00 -0.26 0.00 0.00 58.87 57.80 1tvi n SER 40 Cb 0.57 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1tvi h GLU 41 N 0.00 0.01 0.00 4.33 4.81 -1.95 0.54 114.58 122.32 1tvi h GLU 41 Ca 0.00 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1tvi h GLU 41 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1tvi h GLU 41 CO 0.00 0.53 -0.46 0.22 -0.73 0.00 0.00 179.01 178.57 1tvi h ASP 42 N -0.50 0.00 0.37 1.04 1.82 -1.98 0.46 116.42 117.62 1tvi h ASP 42 Ca 0.00 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.39 1tvi h ASP 42 Cb 0.52 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.54 1tvi h ASP 42 CO 0.00 0.46 -1.09 -0.08 -1.61 0.00 0.00 179.24 176.92 1tvi h GLU 43 N 0.00 0.42 0.04 0.28 4.81 -1.89 -3.22 114.58 115.02 1tvi h GLU 43 Ca -0.00 -0.53 -0.25 0.00 -0.13 0.00 0.00 59.36 58.44 1tvi h GLU 43 Cb 1.00 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1tvi h GLU 43 CO 0.06 1.20 -1.20 0.97 -0.73 0.00 0.00 179.01 179.30 1tvi h ILE 44 N 0.20 1.50 -0.60 2.32 2.10 0.24 -2.26 117.51 121.01 1tvi h ILE 44 Ca -0.12 -3.19 0.12 0.00 1.08 0.00 0.00 64.86 62.76 1tvi h ILE 44 Cb 1.76 2.81 -0.10 0.00 -1.09 0.00 0.00 36.82 40.20 1tvi h ILE 44 CO 0.19 0.88 0.05 0.50 -1.08 0.00 0.00 178.15 178.69 1tvi h LYS 45 N 0.02 0.16 0.00 2.19 3.11 -0.12 0.42 116.57 122.35 1tvi h LYS 45 Ca -0.10 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 1tvi h LYS 45 Cb 1.87 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 33.07 1tvi h LYS 45 CO 0.14 0.10 -0.04 0.93 -2.81 0.00 0.00 179.45 177.78 1tvi h GLU 46 N 0.16 0.02 -0.88 1.90 5.08 -1.63 -3.22 114.58 116.00 1tvi h GLU 46 Ca 0.31 -0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.91 1tvi h GLU 46 Cb 0.50 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1tvi h GLU 46 CO -0.48 0.95 0.82 1.25 -1.00 0.00 0.00 179.01 180.56 1tvi h LEU 47 N -0.91 0.00 0.34 1.33 7.12 -0.96 0.88 115.31 123.11 1tvi h LEU 47 Ca -0.01 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 1tvi h LEU 47 Cb 0.97 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1tvi h LEU 47 CO 0.01 0.00 -0.16 -1.13 -0.13 0.00 0.00 178.44 177.02 1tvi h ASN 48 N 0.00 -0.38 0.88 1.25 -0.73 -0.18 -3.02 115.58 113.39 1tvi h ASN 48 Ca 0.42 -0.14 -0.07 0.00 1.87 0.00 0.00 56.30 58.38 1tvi h ASN 48 Cb 2.06 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 40.74 1tvi h ASN 48 CO -0.00 -0.06 -0.35 0.06 -0.37 0.00 0.00 177.43 176.70 1tvi h GLN 49 N -0.74 0.00 -0.82 6.67 3.07 0.46 0.69 115.11 124.44 1tvi h GLN 49 Ca -0.05 0.00 0.24 0.00 0.09 0.00 0.00 58.65 58.93 1tvi h GLN 49 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.03 1tvi h GLN 49 CO 0.08 0.35 0.72 1.96 0.09 0.00 0.00 178.83 182.03 1tvi h GLN 50 N 0.00 0.00 0.00 0.06 4.20 0.64 0.38 115.11 120.39 1tvi h GLN 50 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1tvi h GLN 50 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1tvi h GLN 50 CO 0.05 0.00 -0.55 1.19 -0.67 0.00 0.00 178.83 178.85 1tvi n PHE 51 N -3.86 0.00 0.23 2.96 3.01 -1.12 -4.77 117.46 113.91 1tvi n PHE 51 Ca 0.17 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.74 1tvi n PHE 51 Cb 1.00 0.12 0.48 0.00 -0.01 0.00 0.00 39.48 41.07 1tvi n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1tvi h ARG 52 N 0.00 0.00 0.00 -1.08 2.47 0.37 -3.46 114.38 112.68 1tvi h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1tvi h ARG 52 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1tvi h ARG 52 CO 0.00 0.20 0.00 0.41 0.56 0.00 0.00 179.97 181.14 1tvi n GLY 53 N 0.15 0.31 3.49 0.04 0.00 0.13 -4.89 105.19 104.42 1tvi n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1tvi n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tvi s GLN 54 N -0.87 2.33 -0.67 1.61 -2.07 -1.26 -4.87 119.66 113.85 1tvi s GLN 54 Ca 0.00 -0.83 -0.19 0.00 -1.82 0.00 0.00 55.36 52.52 1tvi s GLN 54 Cb 0.00 -2.32 0.11 0.00 -1.09 0.00 0.00 33.01 29.71 1tvi s GLN 54 CO 0.00 0.58 0.82 0.34 -1.32 0.00 0.00 175.29 175.71 1tvi s ASP 55 N -1.19 6.29 -0.30 12.60 -1.08 -1.26 -2.10 116.67 129.63 1tvi s ASP 55 Ca 0.14 -1.54 -0.17 0.00 -0.52 0.00 0.00 52.55 50.47 1tvi s ASP 55 Cb -0.11 -2.33 0.18 0.00 -1.46 0.00 0.00 42.92 39.20 1tvi s ASP 55 CO 0.04 -1.13 1.11 0.00 0.52 0.00 0.00 175.17 175.71 1tvi s ARG 56 N 2.75 0.18 0.90 4.34 1.70 -1.26 -5.08 118.95 122.48 1tvi s ARG 56 Ca 0.17 0.45 -0.12 0.00 -0.47 0.00 0.00 55.73 55.76 1tvi s ARG 56 Cb -0.19 0.27 0.13 0.00 -0.57 0.00 0.00 34.95 34.59 1tvi s ARG 56 CO 0.04 -0.07 1.13 -1.25 -1.08 0.00 0.00 175.30 174.07 1tvi s PRO 57 N 2.32 1.26 0.31 3.89 0.04 -1.26 -4.83 135.00 136.73 1tvi s PRO 57 Ca -0.01 0.33 -0.16 0.00 0.04 0.00 0.00 61.00 61.21 1tvi s PRO 57 Cb -0.04 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1tvi s PRO 57 CO -0.17 -2.12 0.66 -0.08 0.04 0.00 0.00 177.00 175.33 1tvi s THR 58 N -3.26 0.00 0.00 1.26 -1.32 -1.26 -5.05 115.64 106.01 1tvi s THR 58 Ca 0.63 -1.16 -0.12 0.00 -1.21 0.00 0.00 61.69 59.83 1tvi s THR 58 Cb -0.15 -2.37 -0.07 0.00 -1.51 0.00 0.00 72.50 68.40 1tvi s THR 58 CO 0.53 0.00 0.84 0.44 -2.21 0.00 0.00 174.62 174.22 1tvi h ASP 59 N 2.07 -0.37 -3.74 8.08 5.19 -1.96 -3.46 116.42 122.23 1tvi h ASP 59 Ca -0.25 0.01 -0.37 0.00 -0.62 0.00 0.00 57.03 55.80 1tvi h ASP 59 Cb 1.25 0.09 -0.31 0.00 0.18 0.00 0.00 39.33 40.55 1tvi h ASP 59 CO 0.33 -0.18 -0.77 0.54 -3.12 0.00 0.00 179.24 176.04 1tvi s VAL 60 N -3.35 0.51 -0.18 -1.35 0.11 -1.26 -2.81 120.40 112.06 1tvi s VAL 60 Ca -0.06 -0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 58.64 1tvi s VAL 60 Cb 0.01 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1tvi s VAL 60 CO 0.19 0.18 0.35 -0.76 -3.33 0.00 0.00 175.10 171.72 1tvi s LEU 61 N 0.31 4.19 -0.06 2.54 1.02 0.22 -4.99 118.68 121.91 1tvi s LEU 61 Ca -0.04 0.50 -0.13 0.00 0.02 0.00 0.00 54.13 54.48 1tvi s LEU 61 Cb -0.08 -2.44 -0.05 0.00 0.02 0.00 0.00 46.19 43.64 1tvi s LEU 61 CO -0.00 0.00 0.32 0.28 0.02 0.00 0.00 176.35 176.98 1tvi s THR 62 N 0.94 5.20 0.42 5.49 -1.32 -1.26 -0.89 115.64 124.22 1tvi s THR 62 Ca 0.18 0.64 -0.22 0.00 -1.21 0.00 0.00 61.69 61.07 1tvi s THR 62 Cb -0.14 -3.62 -0.10 0.00 -1.51 0.00 0.00 72.50 67.13 1tvi s THR 62 CO 0.06 0.54 0.99 0.12 -2.21 0.00 0.00 174.62 174.13 1tvi s PHE 63 N -0.72 3.30 -0.51 9.09 5.36 -1.26 -4.91 117.98 128.33 1tvi s PHE 63 Ca 0.20 1.64 -0.28 0.00 -0.96 0.00 0.00 56.93 57.53 1tvi s PHE 63 Cb -0.15 -2.97 0.01 0.00 -0.34 0.00 0.00 43.02 39.57 1tvi s PHE 63 CO 0.09 -0.33 1.47 -1.25 -1.46 0.00 0.00 175.22 173.74 1tvi s PRO 64 N -2.84 3.33 -0.30 10.12 0.04 -1.26 -4.65 135.00 139.45 1tvi s PRO 64 Ca 0.60 0.65 0.01 0.00 0.04 0.00 0.00 61.00 62.31 1tvi s PRO 64 Cb -0.15 -4.12 0.05 0.00 0.04 0.00 0.00 34.50 30.32 1tvi s PRO 64 CO 0.20 -1.88 1.03 1.47 0.04 0.00 0.00 177.00 177.85 1tvi n LEU 65 N 9.62 -1.07 -3.29 -3.56 -0.00 -1.26 -5.05 117.00 112.39 1tvi n LEU 65 Ca 0.15 -1.74 -0.28 0.00 -0.00 0.00 0.00 56.01 54.14 1tvi n LEU 65 Cb 0.49 0.87 -0.12 0.00 -0.00 0.00 0.00 43.42 44.66 1tvi n LEU 65 CO 0.71 1.12 1.61 0.80 -0.00 0.00 0.00 177.39 181.63 1tvi n MET 66 N -0.50 0.00 0.00 1.47 1.56 -1.26 -4.39 117.12 114.00 1tvi n MET 66 Ca -0.27 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.16 1tvi n MET 66 Cb 0.64 -1.03 0.00 0.00 2.15 0.00 0.00 33.22 34.98 1tvi n MET 66 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1tvi n GLU 67 N 5.83 0.00 -1.54 2.12 1.02 -1.26 -4.94 120.64 121.87 1tvi n GLU 67 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1tvi n GLU 67 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 1tvi n GLU 67 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1tvi n GLU 68 N 0.00 0.00 0.00 3.49 4.07 -1.26 -4.02 120.64 122.92 1tvi n GLU 68 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1tvi n GLU 68 Cb 0.00 -1.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.80 1tvi n GLU 68 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1tvi n ASP 69 N 0.95 0.00 -0.69 4.31 -0.08 -1.26 -4.77 116.55 115.01 1tvi n ASP 69 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1tvi n ASP 69 Cb 0.31 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.77 1tvi n ASP 69 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1tvi n VAL 70 N 0.00 -3.61 -1.94 5.18 3.14 -1.26 -4.03 118.33 115.81 1tvi n VAL 70 Ca 0.00 0.76 -0.02 0.00 -2.96 0.00 0.00 64.34 62.13 1tvi n VAL 70 Cb 0.00 -2.28 -0.00 0.00 -1.06 0.00 0.00 33.84 30.50 1tvi n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tvi n TYR 71 N 0.13 -0.20 0.00 1.45 4.11 -1.26 -4.68 117.16 116.71 1tvi n TYR 71 Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 57.90 57.63 1tvi n TYR 71 Cb 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 39.34 39.84 1tvi n TYR 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1tvi n GLY 72 N -0.15 1.45 2.72 -7.48 0.00 -1.25 -4.75 105.19 95.73 1tvi n GLY 72 Ca -0.08 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 1tvi n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tvi s GLU 73 N 3.94 0.48 -0.06 1.61 -1.05 -1.26 -1.63 118.70 120.72 1tvi s GLU 73 Ca 0.00 -0.11 -0.09 0.00 -0.15 0.00 0.00 54.97 54.62 1tvi s GLU 73 Cb 0.00 -1.53 -0.05 0.00 -0.44 0.00 0.00 34.13 32.11 1tvi s GLU 73 CO 0.00 -0.50 0.24 -1.50 0.95 0.00 0.00 175.26 174.44 1tvi s ILE 74 N 1.97 5.34 -0.15 1.83 2.07 0.27 -4.24 121.20 128.29 1tvi s ILE 74 Ca 0.02 0.36 -0.06 0.00 -1.41 0.00 0.00 60.65 59.57 1tvi s ILE 74 Cb -0.15 -3.52 -0.04 0.00 0.13 0.00 0.00 42.46 38.89 1tvi s ILE 74 CO -0.07 0.56 0.06 -0.31 -1.91 0.00 0.00 174.94 173.27 1tvi s TYR 75 N -1.10 3.29 0.08 3.50 1.51 -0.07 0.10 117.35 124.67 1tvi s TYR 75 Ca 0.20 0.17 0.05 0.00 -1.01 0.00 0.00 57.07 56.48 1tvi s TYR 75 Cb -0.13 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1tvi s TYR 75 CO 0.09 0.32 -0.13 0.08 -1.11 0.00 0.00 175.55 174.80 1tvi s VAL 76 N -0.14 1.08 -0.25 0.71 1.01 0.24 0.72 120.40 123.77 1tvi s VAL 76 Ca 0.07 -1.41 -0.03 0.00 0.00 0.00 0.00 61.98 60.62 1tvi s VAL 76 Cb -0.12 -1.16 0.08 0.00 0.00 0.00 0.00 36.38 35.19 1tvi s VAL 76 CO 0.01 -0.31 0.09 0.00 0.00 0.00 0.00 175.10 174.88 1tvi n PRO 78 N 5.08 0.75 0.04 0.00 -0.04 -1.26 -2.88 135.00 136.68 1tvi n PRO 78 Ca -0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 1tvi n PRO 78 Cb 0.44 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 1tvi n PRO 78 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1tvi h LEU 79 N 0.00 -0.14 -0.04 1.53 5.85 -1.92 -1.19 115.31 119.40 1tvi h LEU 79 Ca 0.00 -0.42 -0.16 0.00 0.84 0.00 0.00 57.88 58.14 1tvi h LEU 79 Cb 0.00 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.08 1tvi h LEU 79 CO 0.00 0.41 -0.60 0.40 -0.34 0.00 0.00 178.44 178.31 1tvi h ILE 80 N -0.76 1.39 -0.33 4.05 2.04 -1.87 -2.57 117.51 119.46 1tvi h ILE 80 Ca -0.02 -1.99 0.07 0.00 1.00 0.00 0.00 64.86 63.92 1tvi h ILE 80 Cb 0.55 2.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.96 1tvi h ILE 80 CO 0.03 0.59 -0.12 0.58 0.00 0.00 0.00 178.15 179.23 1tvi h VAL 81 N 0.04 0.59 0.04 1.67 2.07 -1.63 0.14 116.25 119.17 1tvi h VAL 81 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1tvi h VAL 81 Cb 1.28 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1tvi h VAL 81 CO 0.12 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.51 1tvi h GLU 82 N -0.06 -0.22 -0.58 1.57 4.81 -1.25 0.43 114.58 119.28 1tvi h GLU 82 Ca 0.16 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.58 1tvi h GLU 82 Cb 0.31 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1tvi h GLU 82 CO -0.37 -0.15 0.42 1.49 -0.73 0.00 0.00 179.01 179.67 1tvi h GLU 83 N -0.23 0.00 0.02 1.92 4.81 -0.91 1.08 114.58 121.26 1tvi h GLU 83 Ca 0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1tvi h GLU 83 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1tvi h GLU 83 CO -0.09 0.00 -0.17 -0.91 -0.73 0.00 0.00 179.01 177.10 1tvi h ASN 84 N 0.00 0.12 0.21 1.04 2.35 0.74 -2.93 115.58 117.11 1tvi h ASN 84 Ca 0.27 -0.91 -0.03 0.00 -0.55 0.00 0.00 56.30 55.09 1tvi h ASN 84 Cb 1.10 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 1tvi h ASN 84 CO -0.00 1.01 -0.14 0.00 -1.65 0.00 0.00 177.43 176.65 1tvi h ALA 85 N 0.10 1.56 -0.47 -0.83 0.00 0.13 0.10 119.26 119.86 1tvi h ALA 85 Ca -0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1tvi h ALA 85 Cb 1.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1tvi h ALA 85 CO 0.03 0.17 -0.17 0.00 0.00 0.00 0.00 179.25 179.28 1tvi h ARG 86 N 0.00 0.91 0.00 0.00 3.08 0.11 1.94 114.38 120.42 1tvi h ARG 86 Ca -0.00 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.58 1tvi h ARG 86 Cb 0.28 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1tvi h ARG 86 CO 0.02 1.01 -0.61 1.05 -1.07 0.00 0.00 179.97 180.36 1tvi h GLU 87 N 0.80 0.00 -0.41 0.04 4.11 -1.11 -3.21 114.58 114.80 1tvi h GLU 87 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1tvi h GLU 87 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1tvi h GLU 87 CO 0.05 0.51 0.00 0.34 0.07 0.00 0.00 179.01 179.98 1tvi n PHE 88 N -3.20 0.87 -2.47 2.06 7.35 0.26 -4.93 117.46 117.40 1tvi n PHE 88 Ca 0.01 -0.63 -0.00 0.00 -0.76 0.00 0.00 57.45 56.06 1tvi n PHE 88 Cb 0.76 -0.16 -0.00 0.00 0.35 0.00 0.00 39.48 40.42 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1tvi n ASN 89 N 0.41 -0.98 -4.86 -2.13 4.05 0.61 -4.84 115.26 107.52 1tvi n ASN 89 Ca 0.18 0.47 -0.31 0.00 0.45 0.00 0.00 54.58 55.37 1tvi n ASN 89 Cb 0.68 -0.98 -0.01 0.00 1.23 0.00 0.00 39.78 40.70 1tvi n ASN 89 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1tvi s ASN 90 N -1.96 6.38 -0.68 1.20 2.47 0.16 -4.95 114.94 117.55 1tvi s ASN 90 Ca 0.01 1.41 -0.26 0.00 0.42 0.00 0.00 52.86 54.44 1tvi s ASN 90 Cb -0.00 -2.46 -0.01 0.00 -1.45 0.00 0.00 41.25 37.33 1tvi s ASN 90 CO 0.01 -0.72 1.75 0.42 -3.72 0.00 0.00 177.10 174.84 1tvi s THR 91 N -2.91 3.45 0.28 -5.21 -4.23 -1.26 -4.63 115.64 101.12 1tvi s THR 91 Ca 0.55 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1tvi s THR 91 Cb -0.11 -4.16 0.28 0.00 1.34 0.00 0.00 72.50 69.85 1tvi s THR 91 CO 0.44 -1.12 1.68 0.15 -0.54 0.00 0.00 174.62 175.23 1tvi h PHE 92 N 13.46 0.43 -0.74 3.99 3.04 -1.92 0.59 116.94 135.78 1tvi h PHE 92 Ca -0.20 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.76 1tvi h PHE 92 Cb 1.12 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.54 1tvi h PHE 92 CO 1.09 -0.12 0.34 1.05 -2.02 0.00 0.00 178.31 178.65 1tvi h GLU 93 N 0.29 1.07 -0.14 1.11 9.09 -1.93 -0.13 114.58 123.93 1tvi h GLU 93 Ca 0.51 -0.16 -0.02 0.00 0.05 0.00 0.00 59.36 59.74 1tvi h GLU 93 Cb 0.97 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.87 1tvi h GLU 93 CO -0.57 0.84 0.00 -0.22 0.05 0.00 0.00 179.01 179.11 1tvi h LYS 94 N 1.06 0.25 -0.75 1.06 1.63 -0.40 0.63 116.57 120.05 1tvi h LYS 94 Ca 0.25 -0.08 0.06 0.00 -0.85 0.00 0.00 60.65 60.03 1tvi h LYS 94 Cb 0.13 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.68 1tvi h LYS 94 CO -0.03 0.48 0.44 1.49 -3.45 0.00 0.00 179.45 178.38 1tvi h GLU 95 N -0.00 0.79 -0.02 1.90 4.81 -0.19 -0.31 114.58 121.57 1tvi h GLU 95 Ca 0.04 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1tvi h GLU 95 Cb 0.36 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1tvi h GLU 95 CO 0.01 0.53 -0.69 1.25 -0.73 0.00 0.00 179.01 179.37 1tvi h LEU 96 N 0.82 0.10 -1.66 1.64 7.12 -0.85 -2.83 115.31 119.64 1tvi h LEU 96 Ca 0.33 -0.07 -0.03 0.00 0.13 0.00 0.00 57.88 58.24 1tvi h LEU 96 Cb 0.16 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 1tvi h LEU 96 CO -0.17 0.76 -0.07 -0.07 -0.13 0.00 0.00 178.44 178.76 1tvi h LEU 97 N 0.06 0.12 0.63 2.25 4.07 0.19 -1.14 115.31 121.48 1tvi h LEU 97 Ca -0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1tvi h LEU 97 Cb 1.22 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.94 1tvi h LEU 97 CO 0.10 0.21 -0.30 -0.33 -1.08 0.00 0.00 178.44 177.03 1tvi h GLU 98 N 0.13 -0.82 0.00 1.13 5.08 -0.88 0.12 114.58 119.34 1tvi h GLU 98 Ca 0.03 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1tvi h GLU 98 Cb 0.21 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1tvi h GLU 98 CO 0.01 -0.52 -0.04 -0.39 -1.00 0.00 0.00 179.01 177.07 1tvi h VAL 99 N -0.92 0.42 0.40 3.13 -1.51 -1.54 1.66 116.25 117.89 1tvi h VAL 99 Ca -0.09 -0.18 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 1tvi h VAL 99 Cb 0.67 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1tvi h VAL 99 CO 0.14 0.04 -0.19 0.58 -1.23 0.00 0.00 177.57 176.90 1tvi h VAL 100 N 0.00 0.32 0.00 7.19 2.07 -0.53 -3.16 116.25 122.14 1tvi h VAL 100 Ca -0.00 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1tvi h VAL 100 Cb 0.12 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1tvi h VAL 100 CO 0.00 0.07 0.00 0.16 0.02 0.00 0.00 177.57 177.82 1tvi h ILE 101 N -1.03 0.00 -0.77 4.57 3.07 -0.35 -3.12 117.51 119.89 1tvi h ILE 101 Ca -0.06 -0.52 0.22 0.00 1.55 0.00 0.00 64.86 66.06 1tvi h ILE 101 Cb 0.53 1.45 -0.03 0.00 -0.27 0.00 0.00 36.82 38.50 1tvi h ILE 101 CO 0.09 0.00 0.65 -0.74 -1.05 0.00 0.00 178.15 177.10 1tvi h HIS 102 N 0.00 0.00 0.04 0.16 2.76 0.25 2.40 115.15 120.76 1tvi h HIS 102 Ca 0.00 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1tvi h HIS 102 Cb 0.67 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1tvi h HIS 102 CO 0.00 0.00 -0.35 0.78 -1.30 0.00 0.00 177.93 177.06 1tvi h GLY 103 N 0.00 0.10 0.87 5.26 0.00 -1.65 -3.13 103.07 104.51 1tvi h GLY 103 Ca 0.36 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 1tvi h GLY 103 CO -0.00 0.22 -0.20 -2.22 0.00 0.00 0.00 176.54 174.34 1tvi h ILE 104 N -0.81 1.32 -0.81 2.60 2.04 -1.03 -3.00 117.51 117.82 1tvi h ILE 104 Ca -0.07 -1.35 0.18 0.00 1.00 0.00 0.00 64.86 64.63 1tvi h ILE 104 Cb 1.22 1.68 -0.11 0.00 -0.74 0.00 0.00 36.82 38.86 1tvi h ILE 104 CO 0.03 0.42 0.29 0.17 0.00 0.00 0.00 178.15 179.05 1tvi h LEU 105 N 0.24 0.18 0.16 1.44 8.10 0.38 1.00 115.31 126.81 1tvi h LEU 105 Ca 0.04 0.15 -0.00 0.00 0.11 0.00 0.00 57.88 58.17 1tvi h LEU 105 Cb 0.74 0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 41.11 1tvi h LEU 105 CO 0.05 -0.00 -0.21 0.45 -4.11 0.00 0.00 178.44 174.61 1tvi h HIS 106 N 0.35 -0.60 -0.50 0.17 3.86 -1.47 0.82 115.15 117.78 1tvi h HIS 106 Ca 0.48 0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.82 1tvi h HIS 106 Cb 0.85 0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.53 1tvi h HIS 106 CO -0.20 -0.27 0.35 1.25 0.86 0.00 0.00 177.93 179.92 1tvi h LEU 107 N -0.39 0.10 -1.74 2.43 7.12 -1.26 0.55 115.31 122.12 1tvi h LEU 107 Ca -0.02 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 1tvi h LEU 107 Cb 0.35 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1tvi h LEU 107 CO -0.06 0.06 -0.10 0.00 -0.13 0.00 0.00 178.44 178.21 1tvi h ALA 108 N 1.75 1.79 0.00 1.25 0.00 0.22 -3.48 119.26 120.79 1tvi h ALA 108 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1tvi h ALA 108 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1tvi h ALA 108 CO -0.03 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1tvi n GLY 109 N -1.20 1.21 0.00 0.00 0.00 0.19 -5.04 105.19 100.35 1tvi n GLY 109 Ca -0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1tvi n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1tvi n TYR 110 N -1.85 0.00 -3.12 1.61 0.18 -1.26 -4.16 117.16 108.57 1tvi n TYR 110 Ca 0.00 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.52 1tvi n TYR 110 Cb 0.00 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 1tvi n TYR 110 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1tvi n ASP 111 N 0.56 3.59 0.00 9.48 -0.08 -1.26 -4.97 116.55 123.86 1tvi n ASP 111 Ca 0.00 -3.48 0.00 0.00 -1.51 0.00 0.00 54.79 49.80 1tvi n ASP 111 Cb 0.00 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 42.86 1tvi n ASP 111 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1tvi n HIS 112 N 0.21 0.00 -3.40 -0.67 8.25 -1.26 -4.43 115.22 113.92 1tvi n HIS 112 Ca 0.29 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.77 1tvi n HIS 112 Cb 0.44 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1tvi n HIS 112 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1tvi s GLU 113 N 0.00 0.23 -0.74 -0.41 2.12 -1.26 -4.87 118.70 113.77 1tvi s GLU 113 Ca 0.00 0.53 -0.03 0.00 0.36 0.00 0.00 54.97 55.83 1tvi s GLU 113 Cb 0.00 0.28 0.16 0.00 0.26 0.00 0.00 34.13 34.83 1tvi s GLU 113 CO 0.00 -0.07 2.45 1.19 -0.54 0.00 0.00 175.26 178.29 1tvi n PHE 114 N 4.58 2.19 -0.95 5.30 3.72 -1.26 -5.00 117.46 126.04 1tvi n PHE 114 Ca -0.10 -2.23 0.12 0.00 -0.05 0.00 0.00 57.45 55.19 1tvi n PHE 114 Cb 0.54 -1.39 -0.03 0.00 -0.94 0.00 0.00 39.48 37.65 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1tvi n GLU 115 N 0.60 -1.88 -3.66 -1.08 0.00 -1.26 -4.38 120.64 108.98 1tvi n GLU 115 Ca 0.52 1.26 -0.34 0.00 0.00 0.00 0.00 57.16 58.61 1tvi n GLU 115 Cb 0.40 -2.31 -0.07 0.00 0.00 0.00 0.00 31.44 29.45 1tvi n GLU 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1tvi n ASP 116 N -4.35 4.02 0.11 4.31 9.92 -1.26 -4.64 116.55 124.66 1tvi n ASP 116 Ca 0.00 -3.18 0.00 0.00 -0.53 0.00 0.00 54.79 51.08 1tvi n ASP 116 Cb 0.61 -0.98 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1tvi n ASP 116 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1tvi n LYS 117 N 2.10 0.00 -3.63 -1.24 4.81 -1.26 -5.16 118.16 113.77 1tvi n LYS 117 Ca 0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.58 1tvi n LYS 117 Cb 0.37 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.40 1tvi n LYS 117 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1tvi s ASN 118 N -1.75 -0.37 -0.02 3.14 2.47 -1.26 -5.17 114.94 111.98 1tvi s ASN 118 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.02 1tvi s ASN 118 Cb 0.00 0.58 0.02 0.00 -1.45 0.00 0.00 41.25 40.40 1tvi s ASN 118 CO 0.00 -1.01 0.01 -0.94 -3.72 0.00 0.00 177.10 171.44 1tvi s SER 119 N -2.79 0.22 -0.16 -4.21 1.04 -1.26 -4.71 113.70 101.83 1tvi s SER 119 Ca 0.07 -0.00 -0.15 0.00 0.48 0.00 0.00 55.95 56.34 1tvi s SER 119 Cb -0.03 -0.11 -0.12 0.00 0.10 0.00 0.00 66.02 65.87 1tvi s SER 119 CO -0.03 -0.08 0.14 0.11 0.98 0.00 0.00 173.24 174.36 1tvi h LYS 120 N 6.95 0.00 0.62 4.02 6.56 -1.98 -3.10 116.57 129.64 1tvi h LYS 120 Ca -0.39 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.17 1tvi h LYS 120 Cb 1.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 1tvi h LYS 120 CO 0.49 0.51 -0.34 1.49 -2.06 0.00 0.00 179.45 179.54 1tvi h GLU 121 N -1.00 -0.86 -0.28 3.15 4.81 -2.02 -1.92 114.58 116.46 1tvi h GLU 121 Ca -0.12 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1tvi h GLU 121 Cb 0.78 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1tvi h GLU 121 CO -0.07 -0.57 0.28 1.98 -0.73 0.00 0.00 179.01 179.89 1tvi h MET 122 N -0.89 0.00 -1.00 1.92 4.05 -1.99 -1.07 114.93 115.94 1tvi h MET 122 Ca -0.08 0.00 0.20 0.00 -0.28 0.00 0.00 59.70 59.54 1tvi h MET 122 Cb 0.71 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.39 1tvi h MET 122 CO 0.11 0.00 0.61 0.35 0.23 0.00 0.00 176.91 178.21 1tvi h PHE 123 N 0.00 1.05 0.31 1.39 3.57 -1.26 1.76 116.94 123.77 1tvi h PHE 123 Ca 0.13 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1tvi h PHE 123 Cb 0.68 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1tvi h PHE 123 CO 0.00 0.19 -0.15 0.93 -2.23 0.00 0.00 178.31 177.05 1tvi h GLU 124 N 0.72 -0.41 -0.88 1.11 4.39 -1.24 0.15 114.58 118.41 1tvi h GLU 124 Ca 0.60 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.42 1tvi h GLU 124 Cb 0.99 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.65 1tvi h GLU 124 CO -0.40 -0.14 0.52 -0.22 -1.16 0.00 0.00 179.01 177.61 1tvi h LYS 125 N -1.03 0.84 -0.40 2.33 1.63 -1.43 0.34 116.57 118.85 1tvi h LYS 125 Ca -0.04 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.59 1tvi h LYS 125 Cb 0.46 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1tvi h LYS 125 CO 0.07 0.55 -0.21 0.37 -3.45 0.00 0.00 179.45 176.78 1tvi h GLN 126 N 0.86 0.78 0.00 1.90 4.15 0.26 -2.25 115.11 120.81 1tvi h GLN 126 Ca 0.43 -0.31 -0.05 0.00 0.77 0.00 0.00 58.65 59.49 1tvi h GLN 126 Cb 0.39 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1tvi h GLN 126 CO -0.25 0.92 -0.24 0.87 -1.93 0.00 0.00 178.83 178.20 1tvi h LYS 127 N 0.68 0.00 0.32 1.69 1.57 0.14 -0.37 116.57 120.61 1tvi h LYS 127 Ca 0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1tvi h LYS 127 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1tvi h LYS 127 CO 0.06 0.24 -0.18 -0.22 -0.57 0.00 0.00 179.45 178.77 1tvi h LYS 128 N 0.00 -0.46 -0.13 3.15 1.63 0.20 0.89 116.57 121.86 1tvi h LYS 128 Ca -0.00 0.03 -0.21 0.00 -0.85 0.00 0.00 60.65 59.62 1tvi h LYS 128 Cb 0.64 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1tvi h LYS 128 CO 0.03 -0.30 -0.76 1.88 -3.45 0.00 0.00 179.45 176.85 1tvi h TYR 129 N -0.47 0.88 -0.65 1.91 0.05 -1.47 -2.19 116.97 115.02 1tvi h TYR 129 Ca -0.04 -0.39 -0.02 0.00 0.05 0.00 0.00 58.73 58.34 1tvi h TYR 129 Cb 0.38 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 1tvi h TYR 129 CO -0.07 1.19 0.34 0.28 -1.05 0.00 0.00 178.16 178.85 1tvi h VAL 130 N 0.45 1.21 -0.48 -2.88 2.07 -0.91 0.69 116.25 116.40 1tvi h VAL 130 Ca -0.04 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1tvi h VAL 130 Cb 1.36 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1tvi h VAL 130 CO 0.15 0.24 -0.05 -0.33 0.02 0.00 0.00 177.57 177.60 1tvi h GLU 131 N 0.89 0.82 -0.11 1.57 4.39 0.84 1.87 114.58 124.85 1tvi h GLU 131 Ca 0.23 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1tvi h GLU 131 Cb 0.07 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1tvi h GLU 131 CO -0.03 0.86 -0.24 0.93 -1.16 0.00 0.00 179.01 179.36 1tvi h GLU 132 N 0.76 0.37 -0.21 2.33 4.39 -0.76 0.33 114.58 121.78 1tvi h GLU 132 Ca 0.14 -0.24 -0.20 0.00 0.34 0.00 0.00 59.36 59.40 1tvi h GLU 132 Cb 0.53 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1tvi h GLU 132 CO 0.03 0.84 -0.63 0.28 -1.16 0.00 0.00 179.01 178.37 1tvi h VAL 133 N -0.06 1.28 0.00 3.13 2.07 0.51 -2.54 116.25 120.64 1tvi h VAL 133 Ca 0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1tvi h VAL 133 Cb 0.84 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1tvi h VAL 133 CO 0.05 0.58 0.00 1.87 0.02 0.00 0.00 177.57 180.10 1tvi n TRP 134 N -4.02 0.67 -0.16 1.57 -0.00 0.63 -2.97 117.44 113.16 1tvi n TRP 134 Ca -0.06 0.23 0.28 0.00 -0.00 0.00 0.00 57.50 57.95 1tvi n TRP 134 Cb 0.67 -0.88 0.72 0.00 -0.00 0.00 0.00 31.31 31.82 1tvi n TRP 134 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1tvi h GLY 135 N 3.19 0.00 0.00 5.87 0.00 0.12 1.69 103.07 113.94 1tvi h GLY 135 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tvi h GLY 135 CO 0.00 0.00 -0.40 -2.09 0.00 0.00 0.00 176.54 174.05 1tvi h GLU 136 N 0.00 0.00 -0.13 4.80 4.81 -1.70 -3.34 114.58 119.01 1tvi h GLU 136 Ca 0.41 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.68 1tvi h GLU 136 Cb 1.68 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1tvi h GLU 136 CO -0.00 0.02 0.30 -1.49 -0.73 0.00 0.00 179.01 177.10 1tvi h TRP 137 N -1.00 0.00 -0.90 0.92 4.06 -1.59 0.18 115.95 117.63 1tvi h TRP 137 Ca -0.01 0.00 0.20 0.00 2.06 0.00 0.00 58.89 61.15 1tvi h TRP 137 Cb 0.41 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.50 1tvi h TRP 137 CO -0.16 0.00 0.59 0.00 -3.56 0.00 0.00 178.44 175.31 1tvi h ARG 138 N 0.00 0.39 0.00 0.49 2.47 0.24 1.43 114.38 119.40 1tvi h ARG 138 Ca 0.06 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1tvi h ARG 138 Cb 0.65 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1tvi h ARG 138 CO -0.00 0.26 0.00 0.43 0.56 0.00 0.00 179.97 181.22 1tvi n SER 139 N -4.51 0.65 -3.23 7.04 7.64 0.65 -3.48 113.62 118.39 1tvi n SER 139 Ca 0.19 0.66 -0.24 0.00 1.01 0.00 0.00 58.87 60.49 1tvi n SER 139 Cb 0.70 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 63.03 1tvi n SER 139 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1tvi n ASN 140 N -2.22 0.95 0.00 6.43 0.23 0.49 -5.01 115.26 116.13 1tvi n ASN 140 Ca 0.02 -2.87 0.00 0.00 -0.53 0.00 0.00 54.58 51.20 1tvi n ASN 140 Cb 0.23 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.28 1tvi n ASN 140 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1tvi n PRO 141 N 1.20 0.00 -1.08 -0.53 -0.04 -1.08 -4.89 135.00 128.58 1tvi n PRO 141 Ca 0.23 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.34 1tvi n PRO 141 Cb 0.51 -0.26 0.02 0.00 -0.04 0.00 0.00 33.50 33.73 1tvi n PRO 141 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tvi n SER 142 N -0.13 -4.01 -0.58 3.54 7.64 -1.26 -4.88 113.62 113.94 1tvi n SER 142 Ca 0.00 0.48 0.06 0.00 1.01 0.00 0.00 58.87 60.42 1tvi n SER 142 Cb 0.00 -0.76 0.16 0.00 -1.01 0.00 0.00 64.21 62.60 1tvi n SER 142 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tvi n GLU 143 N 1.65 2.80 -1.70 1.43 1.02 -1.26 -5.02 120.64 119.56 1tvi n GLU 143 Ca 0.05 -2.22 -0.44 0.00 -0.02 0.00 0.00 57.16 54.53 1tvi n GLU 143 Cb 0.46 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 1tvi n GLU 143 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1tvi n ASP 144 N -0.05 3.43 0.00 1.62 9.92 -1.26 -4.92 116.55 125.30 1tvi n ASP 144 Ca 0.13 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.49 1tvi n ASP 144 Cb 0.54 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.52 1tvi n ASP 144 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1tvi n SER 145 N 3.03 0.00 -1.55 -2.24 2.88 -1.26 -5.14 113.62 109.34 1tvi n SER 145 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1tvi n SER 145 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1tvi n SER 145 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1tvi n ASP 146 N 0.00 -8.34 -0.04 -3.46 -0.08 -1.26 -4.80 116.55 98.57 1tvi n ASP 146 Ca 0.00 1.71 -0.14 0.00 -1.51 0.00 0.00 54.79 54.85 1tvi n ASP 146 Cb 0.00 -4.91 -0.11 0.00 2.34 0.00 0.00 41.12 38.43 1tvi n ASP 146 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1tvi h PRO 147 N 0.48 0.09 0.00 -0.67 0.13 -2.01 -3.48 132.00 126.54 1tvi h PRO 147 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1tvi h PRO 147 Cb 0.75 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1tvi h PRO 147 CO 0.00 0.81 0.00 0.41 -0.23 0.00 0.00 178.00 178.99 1tvi n GLY 148 N 0.93 -0.10 3.54 1.56 0.00 -1.26 -5.17 105.19 104.69 1tvi n GLY 148 Ca -0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1tvi n GLY 148 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tvi s LYS 149 N 0.00 0.86 0.00 1.61 2.20 -1.26 -5.32 119.74 117.82 1tvi s LYS 149 Ca 0.00 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1tvi s LYS 149 Cb 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1tvi s LYS 149 CO 0.00 -0.27 0.00 0.54 -0.36 0.00 0.00 175.35 175.26