#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 5.17 0.05 3.17 1.09 -1.26 -4.37 121.20 125.04 1tvi s ILE 2 Ca 0.00 -0.41 0.05 0.00 -1.10 0.00 0.00 60.65 59.19 1tvi s ILE 2 Cb 0.00 -3.78 -0.02 0.00 -1.06 0.00 0.00 42.46 37.60 1tvi s ILE 2 CO 0.00 -0.30 -0.14 -0.60 -0.10 0.00 0.00 174.94 173.80 1tvi s ARG 3 N -3.65 0.91 0.22 2.79 3.52 -0.75 -4.95 118.95 117.04 1tvi s ARG 3 Ca 0.39 -0.80 0.09 0.00 -0.13 0.00 0.00 55.73 55.29 1tvi s ARG 3 Cb -0.10 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.32 1tvi s ARG 3 CO 0.31 0.22 -0.07 0.96 -0.81 0.00 0.00 175.30 175.91 1tvi s ILE 4 N -0.93 3.20 0.14 4.11 -0.00 -1.26 -1.49 121.20 124.97 1tvi s ILE 4 Ca 0.01 -1.83 0.05 0.00 -0.00 0.00 0.00 60.65 58.88 1tvi s ILE 4 Cb -0.08 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.46 39.69 1tvi s ILE 4 CO 0.01 -0.24 -0.11 -0.76 -0.00 0.00 0.00 174.94 173.84 1tvi s LEU 5 N -3.21 2.48 0.00 0.37 1.43 0.62 -4.78 118.68 115.59 1tvi s LEU 5 Ca 0.28 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1tvi s LEU 5 Cb -0.07 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.73 1tvi s LEU 5 CO 0.17 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1tvi n GLY 6 N 0.08 3.17 3.51 -3.19 0.00 -1.26 -1.50 105.19 106.00 1tvi n GLY 6 Ca -0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1tvi n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tvi s GLU 7 N 0.00 1.11 0.00 1.61 4.04 -0.96 -4.86 118.70 119.64 1tvi s GLU 7 Ca 0.00 -0.45 0.00 0.00 0.04 0.00 0.00 54.97 54.56 1tvi s GLU 7 Cb 0.00 0.49 0.00 0.00 0.02 0.00 0.00 34.13 34.64 1tvi s GLU 7 CO 0.00 -0.49 0.00 0.41 -1.84 0.00 0.00 175.26 173.34 1tvi n GLY 8 N -0.33 4.74 3.19 -3.83 0.00 -1.26 -3.59 105.19 104.11 1tvi n GLY 8 Ca -0.12 -0.76 -0.47 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.72 0.00 0.00 1.61 4.81 -1.26 -2.66 118.16 118.95 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 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.64 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 6.55 0.42 0.21 3.14 0.00 -1.26 -4.79 105.19 109.46 1tvi n GLY 10 Ca 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.45 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 0.05 -0.40 0.70 1.61 0.87 -1.92 0.37 113.55 114.82 1tvi h SER 11 Ca 0.00 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1tvi h SER 11 Cb 0.00 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1tvi h SER 11 CO 0.00 -0.26 -0.51 0.11 -0.53 0.00 0.00 176.83 175.64 1tvi h LYS 12 N -0.49 0.00 -0.00 2.24 6.56 -1.95 -1.98 116.57 120.94 1tvi h LYS 12 Ca -0.05 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.46 1tvi h LYS 12 Cb 0.38 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.02 1tvi h LYS 12 CO 0.08 0.51 -0.40 1.25 -2.06 0.00 0.00 179.45 178.82 1tvi h LEU 13 N 0.00 0.01 0.01 2.94 5.85 -1.83 -2.64 115.31 119.64 1tvi h LEU 13 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1tvi h LEU 13 Cb 1.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1tvi h LEU 13 CO 0.07 0.41 -0.01 0.25 -0.34 0.00 0.00 178.44 178.82 1tvi h LEU 14 N 0.01 -0.01 -1.75 2.25 7.12 0.13 -3.15 115.31 119.90 1tvi h LEU 14 Ca -0.00 -0.79 0.02 0.00 0.13 0.00 0.00 57.88 57.23 1tvi h LEU 14 Cb 0.72 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1tvi h LEU 14 CO 0.05 0.81 0.44 -0.33 -0.13 0.00 0.00 178.44 179.28 1tvi h GLU 15 N -0.87 0.00 -0.08 1.25 5.08 -1.27 0.62 114.58 119.31 1tvi h GLU 15 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1tvi h GLU 15 Cb 0.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1tvi h GLU 15 CO 0.00 0.00 -0.41 -0.91 -1.00 0.00 0.00 179.01 176.69 1tvi h ASN 16 N 0.00 0.49 -1.07 1.42 2.35 -1.43 -3.29 115.58 114.05 1tvi h ASN 16 Ca 0.03 -0.66 -0.60 0.00 -0.55 0.00 0.00 56.30 54.52 1tvi h ASN 16 Cb 0.90 -0.15 -0.39 0.00 0.05 0.00 0.00 38.32 38.74 1tvi h ASN 16 CO -0.00 1.07 -0.30 0.00 -1.65 0.00 0.00 177.43 176.55 1tvi n LEU 17 N -4.33 5.67 0.02 1.61 -0.00 0.17 -4.72 117.00 115.41 1tvi n LEU 17 Ca -0.08 -4.77 -0.10 0.00 -0.00 0.00 0.00 56.01 51.06 1tvi n LEU 17 Cb 0.55 -0.56 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1tvi n LEU 17 CO 0.44 1.98 0.36 0.50 -0.00 0.00 0.00 177.39 180.67 1tvi h LYS 18 N 2.30 -0.14 -0.49 1.47 3.64 -0.43 -3.10 116.57 119.82 1tvi h LYS 18 Ca 0.42 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 1tvi h LYS 18 Cb 1.13 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1tvi h LYS 18 CO 1.01 0.35 0.20 0.93 -2.27 0.00 0.00 179.45 179.67 1tvi h GLU 19 N -0.89 0.71 -0.79 1.90 5.08 -1.85 -1.22 114.58 117.52 1tvi h GLU 19 Ca -0.01 -0.10 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1tvi h GLU 19 Cb 0.55 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1tvi h GLU 19 CO 0.02 0.58 0.52 -0.22 -1.00 0.00 0.00 179.01 178.91 1tvi h LYS 20 N 0.70 0.60 0.00 2.33 1.63 -1.88 0.30 116.57 120.25 1tvi h LYS 20 Ca 0.17 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.75 1tvi h LYS 20 Cb 0.13 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1tvi h LYS 20 CO -0.02 0.40 -0.87 -0.07 -3.45 0.00 0.00 179.45 175.44 1tvi h LEU 21 N 0.62 0.00 -2.19 5.20 3.38 -1.18 -3.11 115.31 118.03 1tvi h LEU 21 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1tvi h LEU 21 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1tvi h LEU 21 CO -0.15 0.86 0.00 -0.33 0.09 0.00 0.00 178.44 178.92 1tvi h GLU 22 N 0.00 0.00 0.06 1.13 5.08 0.52 -2.43 114.58 118.94 1tvi h GLU 22 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tvi h GLU 22 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1tvi h GLU 22 CO 0.11 0.00 -0.03 0.93 -1.00 0.00 0.00 179.01 179.02 1tvi h GLU 23 N 0.00 -0.08 -0.59 2.33 5.08 -1.25 -1.92 114.58 118.15 1tvi h GLU 23 Ca 0.00 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1tvi h GLU 23 Cb 0.22 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 1tvi h GLU 23 CO 0.00 0.46 0.11 -0.84 -1.00 0.00 0.00 179.01 177.74 1tvi h ILE 24 N -0.93 0.63 -0.55 3.13 3.07 -1.57 1.62 117.51 122.90 1tvi h ILE 24 Ca -0.01 -0.08 -0.01 0.00 1.55 0.00 0.00 64.86 66.31 1tvi h ILE 24 Cb 0.57 0.37 -0.03 0.00 -0.27 0.00 0.00 36.82 37.46 1tvi h ILE 24 CO 0.01 0.04 0.31 -0.37 -1.05 0.00 0.00 178.15 177.10 1tvi h VAL 25 N 0.24 1.18 0.00 0.16 -1.51 -1.54 0.11 116.25 114.89 1tvi h VAL 25 Ca 0.31 -0.44 -0.06 0.00 -1.23 0.00 0.00 66.70 65.27 1tvi h VAL 25 Cb 0.47 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1tvi h VAL 25 CO -0.41 0.19 -0.31 0.50 -1.23 0.00 0.00 177.57 176.31 1tvi h LYS 26 N 0.74 0.00 -0.22 5.19 3.64 -0.04 1.26 116.57 127.15 1tvi h LYS 26 Ca 0.20 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1tvi h LYS 26 Cb 0.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1tvi h LYS 26 CO -0.03 0.31 -0.28 -0.22 -2.27 0.00 0.00 179.45 176.96 1tvi h LYS 27 N 0.00 0.58 -0.64 1.90 3.64 0.35 -2.95 116.57 119.45 1tvi h LYS 27 Ca -0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1tvi h LYS 27 Cb 0.63 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1tvi h LYS 27 CO 0.04 0.93 0.00 -1.91 -2.27 0.00 0.00 179.45 176.24 1tvi n GLU 28 N -4.34 3.12 -4.01 1.90 0.00 0.25 -4.94 120.64 112.63 1tvi n GLU 28 Ca -0.05 -2.41 -0.36 0.00 0.00 0.00 0.00 57.16 54.35 1tvi n GLU 28 Cb 0.46 -1.73 -0.01 0.00 0.00 0.00 0.00 31.44 30.17 1tvi n GLU 28 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 1tvi n ILE 29 N 1.05 -3.16 -0.02 6.31 0.13 0.21 -4.89 119.36 118.99 1tvi n ILE 29 Ca 0.22 -0.65 -0.01 0.00 -1.10 0.00 0.00 62.75 61.21 1tvi n ILE 29 Cb 0.72 -2.57 -0.01 0.00 -0.84 0.00 0.00 39.64 36.94 1tvi n ILE 29 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1tvi h GLY 30 N -2.14 -0.08 -5.95 4.50 0.00 0.93 -3.49 103.07 96.85 1tvi h GLY 30 Ca -0.68 0.03 -0.19 0.00 0.00 0.00 0.00 47.33 46.49 1tvi h GLY 30 CO 0.57 -0.03 -0.89 1.34 0.00 0.00 0.00 176.54 177.53 1tvi n ASP 31 N -4.83 -6.71 -0.12 0.19 4.64 -1.26 -5.01 116.55 103.44 1tvi n ASP 31 Ca -0.01 0.24 0.00 0.00 -1.38 0.00 0.00 54.79 53.64 1tvi n ASP 31 Cb 0.04 -3.40 0.00 0.00 -1.04 0.00 0.00 41.12 36.72 1tvi n ASP 31 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1tvi n VAL 32 N -0.12 0.00 -3.69 5.18 0.24 -1.26 -5.10 118.33 113.59 1tvi n VAL 32 Ca 0.01 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.07 1tvi n VAL 32 Cb 0.55 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.75 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 -2.21 0.40 -0.46 6.34 3.76 -1.26 -4.85 115.29 117.01 1tvi s HIS 33 Ca 0.00 -0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 54.62 1tvi s HIS 33 Cb 0.00 -0.71 0.10 0.00 1.11 0.00 0.00 32.58 33.09 1tvi s HIS 33 CO 0.00 -0.39 0.33 0.08 -0.85 0.00 0.00 174.74 173.91 1tvi s VAL 34 N 2.07 4.33 -0.59 -0.90 1.01 -1.26 -3.31 120.40 121.74 1tvi s VAL 34 Ca 0.03 -1.60 -0.18 0.00 0.00 0.00 0.00 61.98 60.23 1tvi s VAL 34 Cb -0.14 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.58 1tvi s VAL 34 CO -0.06 -0.68 0.67 0.20 0.00 0.00 0.00 175.10 175.23 1tvi s ASN 35 N 2.54 6.19 0.14 3.32 0.01 -0.62 -1.81 114.94 124.71 1tvi s ASN 35 Ca 0.05 -1.51 -0.20 0.00 -0.71 0.00 0.00 52.86 50.49 1tvi s ASN 35 Cb -0.25 -2.29 -0.07 0.00 0.41 0.00 0.00 41.25 39.05 1tvi s ASN 35 CO 0.01 -1.07 0.65 0.68 -1.51 0.00 0.00 177.10 175.86 1tvi s VAL 36 N 2.49 4.63 -0.40 1.60 -7.23 -0.56 -1.46 120.40 119.48 1tvi s VAL 36 Ca 0.10 1.30 -0.11 0.00 -1.81 0.00 0.00 61.98 61.46 1tvi s VAL 36 Cb -0.25 -3.92 0.05 0.00 0.56 0.00 0.00 36.38 32.81 1tvi s VAL 36 CO 0.05 0.43 0.24 -0.63 -0.31 0.00 0.00 175.10 174.88 1tvi s ILE 37 N -1.26 4.54 -0.28 -0.62 1.09 -0.23 0.23 121.20 124.68 1tvi s ILE 37 Ca 0.35 -1.03 -0.28 0.00 -1.10 0.00 0.00 60.65 58.59 1tvi s ILE 37 Cb -0.19 -3.62 0.01 0.00 -1.06 0.00 0.00 42.46 37.60 1tvi s ILE 37 CO 0.21 -0.34 1.03 -0.76 -0.10 0.00 0.00 174.94 174.98 1tvi s LEU 38 N 1.53 4.02 -0.16 2.97 1.43 -0.56 -0.13 118.68 127.77 1tvi s LEU 38 Ca 0.02 1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 54.13 1tvi s LEU 38 Cb -0.21 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.56 1tvi s LEU 38 CO 0.05 -0.76 0.44 0.68 0.23 0.00 0.00 176.35 177.00 1tvi s VAL 39 N 3.39 0.00 0.00 -1.59 -7.23 -0.63 -2.27 120.40 112.06 1tvi s VAL 39 Ca 0.43 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1tvi s VAL 39 Cb -0.14 -0.62 0.00 0.00 0.56 0.00 0.00 36.38 36.18 1tvi s VAL 39 CO 0.11 -0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.35 1tvi n SER 40 N 2.80 -0.30 -0.03 4.85 3.41 -1.26 -3.72 113.62 119.36 1tvi n SER 40 Ca -0.13 -0.35 -0.16 0.00 -0.26 0.00 0.00 58.87 57.97 1tvi n SER 40 Cb 0.57 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.55 0.00 4.33 4.81 -1.94 0.37 114.58 122.71 1tvi h GLU 41 Ca 0.00 -0.43 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 1tvi h GLU 41 Cb 0.00 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1tvi h GLU 41 CO 0.00 1.06 -0.52 -0.44 -0.73 0.00 0.00 179.01 178.38 1tvi h ASP 42 N 0.18 0.00 -0.05 1.04 3.32 -1.98 0.26 116.42 119.18 1tvi h ASP 42 Ca -0.03 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.84 1tvi h ASP 42 Cb 1.13 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.69 1tvi h ASP 42 CO 0.10 0.52 -0.69 -0.33 -1.72 0.00 0.00 179.24 177.12 1tvi h GLU 43 N 0.00 0.56 0.00 3.56 5.08 -1.88 -3.17 114.58 118.73 1tvi h GLU 43 Ca -0.01 -0.53 -0.18 0.00 -1.00 0.00 0.00 59.36 57.65 1tvi h GLU 43 Cb 1.07 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1tvi h GLU 43 CO 0.07 1.16 -0.83 0.97 -1.00 0.00 0.00 179.01 179.37 1tvi h ILE 44 N 0.15 1.58 -0.82 3.13 6.09 -0.85 -2.44 117.51 124.35 1tvi h ILE 44 Ca -0.07 -2.80 0.14 0.00 -1.37 0.00 0.00 64.86 60.76 1tvi h ILE 44 Cb 1.36 2.52 -0.09 0.00 0.47 0.00 0.00 36.82 41.08 1tvi h ILE 44 CO 0.14 0.80 0.40 0.50 -3.07 0.00 0.00 178.15 176.92 1tvi h LYS 45 N 0.01 0.57 0.06 2.19 3.11 -0.49 0.48 116.57 122.50 1tvi h LYS 45 Ca -0.01 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.68 1tvi h LYS 45 Cb 1.47 -0.13 0.01 0.00 -1.00 0.00 0.00 32.23 32.58 1tvi h LYS 45 CO 0.11 0.37 -0.48 0.93 -2.81 0.00 0.00 179.45 177.57 1tvi h GLU 46 N 0.58 0.23 -0.35 1.90 5.08 -1.52 -3.13 114.58 117.37 1tvi h GLU 46 Ca 0.44 -0.32 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1tvi h GLU 46 Cb 0.62 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.90 1tvi h GLU 46 CO -0.36 1.09 -0.27 1.25 -1.00 0.00 0.00 179.01 179.72 1tvi h LEU 47 N -0.48 -0.89 -2.11 1.33 7.12 -0.85 1.07 115.31 120.50 1tvi h LEU 47 Ca -0.08 0.17 0.08 0.00 0.13 0.00 0.00 57.88 58.18 1tvi h LEU 47 Cb 1.31 0.43 -0.01 0.00 -0.53 0.00 0.00 40.66 41.86 1tvi h LEU 47 CO 0.09 -0.29 0.26 -1.13 -0.13 0.00 0.00 178.44 177.24 1tvi h ASN 48 N -0.22 0.00 1.25 1.25 -0.73 -0.17 0.53 115.58 117.49 1tvi h ASN 48 Ca 0.17 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.23 1tvi h ASN 48 Cb 0.49 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1tvi h ASN 48 CO -0.48 0.00 -0.78 1.56 -0.37 0.00 0.00 177.43 177.36 1tvi h GLN 49 N 0.00 0.00 0.00 6.67 4.20 0.83 0.90 115.11 127.72 1tvi h GLN 49 Ca 0.14 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1tvi h GLN 49 Cb 0.65 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1tvi h GLN 49 CO -0.00 0.40 -0.01 1.96 -0.67 0.00 0.00 178.83 180.50 1tvi h GLN 50 N 0.00 0.00 0.00 1.46 4.20 0.58 -1.22 115.11 120.14 1tvi h GLN 50 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1tvi h GLN 50 Cb 1.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.19 1tvi h GLN 50 CO 0.05 0.01 -0.31 1.19 -0.67 0.00 0.00 178.83 179.10 1tvi n PHE 51 N -3.36 -0.50 0.22 2.96 3.72 -1.16 -4.80 117.46 114.54 1tvi n PHE 51 Ca -0.03 0.09 0.10 0.00 -0.05 0.00 0.00 57.45 57.56 1tvi n PHE 51 Cb 0.11 0.27 0.46 0.00 -0.94 0.00 0.00 39.48 39.38 1tvi n PHE 51 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1tvi h ARG 52 N 0.00 0.00 -0.30 -1.08 9.65 0.65 -3.46 114.38 119.84 1tvi h ARG 52 Ca 0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.75 1tvi h ARG 52 Cb 0.31 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.84 1tvi h ARG 52 CO 0.00 0.23 -0.12 0.41 2.80 0.00 0.00 179.97 183.30 1tvi n GLY 53 N 0.12 0.63 3.54 2.80 0.00 -0.46 -4.88 105.19 106.94 1tvi n GLY 53 Ca -0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1tvi n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tvi s GLN 54 N -2.45 2.61 -0.74 1.61 -0.21 -1.25 -4.87 119.66 114.35 1tvi s GLN 54 Ca 0.00 -0.64 -0.19 0.00 0.02 0.00 0.00 55.36 54.55 1tvi s GLN 54 Cb 0.00 -2.49 0.13 0.00 1.00 0.00 0.00 33.01 31.65 1tvi s GLN 54 CO 0.00 0.64 0.88 0.34 -2.12 0.00 0.00 175.29 175.03 1tvi s ASP 55 N -0.89 6.41 -0.30 5.90 2.15 -1.26 -3.70 116.67 124.99 1tvi s ASP 55 Ca 0.13 -1.77 -0.16 0.00 0.43 0.00 0.00 52.55 51.18 1tvi s ASP 55 Cb -0.11 -2.33 0.18 0.00 -0.30 0.00 0.00 42.92 40.36 1tvi s ASP 55 CO 0.02 -1.05 1.14 0.00 -0.17 0.00 0.00 175.17 175.10 1tvi s ARG 56 N 2.45 0.19 0.85 4.34 1.04 -1.26 -5.14 118.95 121.42 1tvi s ARG 56 Ca 0.20 0.34 -0.12 0.00 -1.04 0.00 0.00 55.73 55.12 1tvi s ARG 56 Cb -0.15 0.07 0.10 0.00 -2.04 0.00 0.00 34.95 32.93 1tvi s ARG 56 CO -0.01 -0.04 1.12 -1.25 -0.04 0.00 0.00 175.30 175.08 1tvi s PRO 57 N 1.33 1.61 0.00 3.89 0.04 -1.26 -4.87 135.00 135.74 1tvi s PRO 57 Ca -0.07 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1tvi s PRO 57 Cb -0.03 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1tvi s PRO 57 CO -0.13 -1.91 0.57 -2.37 0.04 0.00 0.00 177.00 173.20 1tvi n THR 58 N -3.60 0.00 0.00 1.26 5.66 -1.26 -5.02 114.28 111.32 1tvi n THR 58 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1tvi n THR 58 Cb 0.58 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 70.00 1tvi n THR 58 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1tvi n ASP 59 N 0.00 0.00 -3.67 1.09 8.00 -1.26 -4.67 116.55 116.04 1tvi n ASP 59 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1tvi n ASP 59 Cb 0.55 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 1tvi n ASP 59 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1tvi s VAL 60 N 0.00 -0.02 -0.15 2.53 0.11 -1.26 -1.60 120.40 120.01 1tvi s VAL 60 Ca 0.00 0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 1tvi s VAL 60 Cb 0.00 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1tvi s VAL 60 CO 0.00 0.02 0.20 -0.76 -3.33 0.00 0.00 175.10 171.23 1tvi s LEU 61 N 1.47 4.29 0.11 2.54 1.02 0.93 -4.97 118.68 124.07 1tvi s LEU 61 Ca -0.10 0.43 0.08 0.00 0.02 0.00 0.00 54.13 54.57 1tvi s LEU 61 Cb -0.07 -2.20 -0.04 0.00 0.02 0.00 0.00 46.19 43.90 1tvi s LEU 61 CO -0.15 0.23 -0.16 0.28 0.02 0.00 0.00 176.35 176.57 1tvi s THR 62 N -0.07 3.00 0.26 5.49 -1.32 -1.26 0.45 115.64 122.18 1tvi s THR 62 Ca 0.13 -1.44 -0.19 0.00 -1.21 0.00 0.00 61.69 58.98 1tvi s THR 62 Cb -0.12 -2.38 -0.09 0.00 -1.51 0.00 0.00 72.50 68.40 1tvi s THR 62 CO 0.02 0.10 0.75 0.12 -2.21 0.00 0.00 174.62 173.41 1tvi s PHE 63 N -1.17 3.59 -0.49 9.09 5.36 -1.24 -4.97 117.98 128.15 1tvi s PHE 63 Ca 0.19 1.40 -0.28 0.00 -0.96 0.00 0.00 56.93 57.28 1tvi s PHE 63 Cb -0.11 -2.64 0.01 0.00 -0.34 0.00 0.00 43.02 39.94 1tvi s PHE 63 CO 0.11 0.27 1.46 -1.25 -1.46 0.00 0.00 175.22 174.35 1tvi s PRO 64 N -2.20 3.37 -0.19 10.12 0.04 -1.26 -4.63 135.00 140.26 1tvi s PRO 64 Ca 0.46 0.71 0.01 0.00 0.04 0.00 0.00 61.00 62.22 1tvi s PRO 64 Cb -0.15 -4.10 0.05 0.00 0.04 0.00 0.00 34.50 30.34 1tvi s PRO 64 CO 0.20 -1.83 0.86 1.47 0.04 0.00 0.00 177.00 177.74 1tvi n LEU 65 N 9.50 -0.69 -4.43 -3.56 -0.00 -1.26 -5.07 117.00 111.49 1tvi n LEU 65 Ca 0.15 -1.54 -0.20 0.00 -0.00 0.00 0.00 56.01 54.41 1tvi n LEU 65 Cb 0.49 0.87 -0.11 0.00 -0.00 0.00 0.00 43.42 44.67 1tvi n LEU 65 CO 0.71 1.11 1.20 0.80 -0.00 0.00 0.00 177.39 181.21 1tvi n MET 66 N -0.37 0.34 -2.47 1.47 1.56 -1.26 -4.67 117.12 111.72 1tvi n MET 66 Ca -0.16 -1.75 -0.05 0.00 -0.27 0.00 0.00 57.70 55.47 1tvi n MET 66 Cb 0.60 -3.73 -0.01 0.00 2.15 0.00 0.00 33.22 32.22 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 8.12 0.93 -0.25 2.12 1.02 -1.26 -5.01 120.64 126.30 1tvi n GLU 67 Ca 0.42 -0.67 0.02 0.00 -0.02 0.00 0.00 57.16 56.91 1tvi n GLU 67 Cb 0.46 0.35 0.11 0.00 -0.02 0.00 0.00 31.44 32.35 1tvi n GLU 67 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1tvi n GLU 68 N -0.18 2.09 -3.15 3.49 0.28 -1.26 -4.55 120.64 117.36 1tvi n GLU 68 Ca -0.01 -0.88 0.05 0.00 -0.16 0.00 0.00 57.16 56.16 1tvi n GLU 68 Cb 0.12 -1.71 -0.01 0.00 1.43 0.00 0.00 31.44 31.27 1tvi n GLU 68 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1tvi s ASP 69 N -0.22 -0.82 -0.08 -1.84 2.15 -1.26 -4.83 116.67 109.77 1tvi s ASP 69 Ca 0.15 0.27 -0.15 0.00 0.43 0.00 0.00 52.55 53.25 1tvi s ASP 69 Cb 0.12 1.59 -0.12 0.00 -0.30 0.00 0.00 42.92 44.21 1tvi s ASP 69 CO 0.04 -0.15 0.54 1.62 -0.17 0.00 0.00 175.17 177.05 1tvi h VAL 70 N 5.29 0.69 -5.05 1.11 3.04 -1.83 -3.46 116.25 116.04 1tvi h VAL 70 Ca -0.11 -1.29 -0.30 0.00 -1.01 0.00 0.00 66.70 63.99 1tvi h VAL 70 Cb 1.18 1.24 -0.18 0.00 -2.01 0.00 0.00 31.29 31.51 1tvi h VAL 70 CO 0.01 0.21 -0.43 0.00 -1.01 0.00 0.00 177.57 176.35 1tvi n TYR 71 N -4.83 -0.79 0.00 3.17 4.11 -1.26 -4.75 117.16 112.80 1tvi n TYR 71 Ca -0.06 0.32 0.00 0.00 -0.00 0.00 0.00 57.90 58.17 1tvi n TYR 71 Cb 0.22 -1.00 0.00 0.00 -0.00 0.00 0.00 39.34 38.57 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 -0.72 4.95 3.28 -7.48 0.00 -1.21 -4.73 105.19 99.27 1tvi n GLY 72 Ca 0.06 -1.36 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 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 4.89 1.14 -0.18 1.61 -1.05 -1.26 -1.59 118.70 122.26 1tvi s GLU 73 Ca 0.00 -1.46 -0.05 0.00 -0.15 0.00 0.00 54.97 53.31 1tvi s GLU 73 Cb 0.00 -0.82 0.09 0.00 -0.44 0.00 0.00 34.13 32.96 1tvi s GLU 73 CO 0.00 0.12 0.33 -1.50 0.95 0.00 0.00 175.26 175.17 1tvi s ILE 74 N -3.02 -0.52 0.14 1.83 2.07 -0.53 -3.63 121.20 117.53 1tvi s ILE 74 Ca 0.17 0.16 -0.30 0.00 -1.41 0.00 0.00 60.65 59.27 1tvi s ILE 74 Cb 0.00 -0.60 -0.07 0.00 0.13 0.00 0.00 42.46 41.93 1tvi s ILE 74 CO 0.03 0.04 1.08 -0.31 -1.91 0.00 0.00 174.94 173.86 1tvi s TYR 75 N 2.50 3.63 0.10 3.50 1.51 0.17 -1.06 117.35 127.70 1tvi s TYR 75 Ca 0.02 1.61 0.08 0.00 -1.01 0.00 0.00 57.07 57.77 1tvi s TYR 75 Cb -0.13 -3.24 -0.03 0.00 -0.11 0.00 0.00 41.96 38.45 1tvi s TYR 75 CO -0.11 -0.48 -0.21 0.08 -1.11 0.00 0.00 175.55 173.71 1tvi s VAL 76 N 0.04 1.70 -0.33 0.71 1.01 0.82 -0.05 120.40 124.30 1tvi s VAL 76 Ca 0.50 -1.50 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 1tvi s VAL 76 Cb -0.28 -1.54 0.13 0.00 0.00 0.00 0.00 36.38 34.70 1tvi s VAL 76 CO 0.33 -0.03 0.23 0.00 0.00 0.00 0.00 175.10 175.62 1tvi n PRO 78 N 4.50 0.75 0.13 0.00 -0.04 -1.26 -3.09 135.00 135.99 1tvi n PRO 78 Ca 0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 1tvi n PRO 78 Cb 0.41 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.34 -0.28 1.53 7.12 -1.91 -1.19 115.31 120.23 1tvi h LEU 79 Ca 0.00 -0.15 -0.15 0.00 0.13 0.00 0.00 57.88 57.71 1tvi h LEU 79 Cb 0.00 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1tvi h LEU 79 CO 0.00 0.13 -0.39 0.40 -0.13 0.00 0.00 178.44 178.45 1tvi h ILE 80 N -1.00 1.30 -0.11 4.05 5.03 -1.90 -2.33 117.51 122.55 1tvi h ILE 80 Ca -0.04 -1.58 0.04 0.00 -0.12 0.00 0.00 64.86 63.16 1tvi h ILE 80 Cb 0.47 1.63 -0.05 0.00 -3.03 0.00 0.00 36.82 35.84 1tvi h ILE 80 CO 0.07 0.51 -0.23 0.58 -0.68 0.00 0.00 178.15 178.40 1tvi h VAL 81 N 0.52 0.45 -0.60 1.67 2.07 -1.64 0.46 116.25 119.18 1tvi h VAL 81 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1tvi h VAL 81 Cb 0.98 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1tvi h VAL 81 CO 0.09 0.00 0.29 -0.08 0.02 0.00 0.00 177.57 177.90 1tvi h GLU 82 N -0.30 0.53 -0.69 1.57 4.81 -1.19 0.23 114.58 119.54 1tvi h GLU 82 Ca 0.09 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1tvi h GLU 82 Cb 0.44 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 1tvi h GLU 82 CO -0.28 0.35 0.33 1.49 -0.73 0.00 0.00 179.01 180.17 1tvi h GLU 83 N 0.54 0.56 0.00 1.92 4.57 -0.68 1.44 114.58 122.93 1tvi h GLU 83 Ca 0.28 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.32 1tvi h GLU 83 Cb 0.23 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1tvi h GLU 83 CO -0.21 0.37 -0.50 -0.91 -1.18 0.00 0.00 179.01 176.58 1tvi h ASN 84 N 0.57 0.00 1.19 1.04 2.35 0.18 -2.06 115.58 118.85 1tvi h ASN 84 Ca 0.34 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.96 1tvi h ASN 84 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1tvi h ASN 84 CO -0.27 0.50 -0.62 0.00 -1.65 0.00 0.00 177.43 175.39 1tvi h ALA 85 N 1.50 0.66 -0.24 -0.83 0.00 0.22 -2.66 119.26 117.90 1tvi h ALA 85 Ca -0.01 -0.57 -0.20 0.00 0.00 0.00 0.00 54.91 54.14 1tvi h ALA 85 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1tvi h ALA 85 CO 0.07 0.78 -0.63 0.00 0.00 0.00 0.00 179.25 179.47 1tvi h ARG 86 N 0.00 0.83 0.00 0.00 3.08 0.23 2.14 114.38 120.67 1tvi h ARG 86 Ca -0.01 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.47 1tvi h ARG 86 Cb 1.38 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1tvi h ARG 86 CO 0.08 1.20 0.00 -0.85 -1.07 0.00 0.00 179.97 179.33 1tvi n GLU 87 N -3.98 0.03 -0.12 0.04 0.28 -0.82 -3.08 120.64 113.00 1tvi n GLU 87 Ca -0.05 0.03 0.02 0.00 -0.16 0.00 0.00 57.16 57.01 1tvi n GLU 87 Cb 0.67 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 32.07 1tvi n GLU 87 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1tvi n PHE 88 N -1.48 0.00 -3.66 -1.84 -0.00 -1.01 -4.98 117.46 104.49 1tvi n PHE 88 Ca 0.07 -0.40 -0.26 0.00 -0.00 0.00 0.00 57.45 56.86 1tvi n PHE 88 Cb 0.31 -0.06 -0.05 0.00 -0.00 0.00 0.00 39.48 39.68 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1tvi n ASN 89 N -0.51 -1.44 -4.57 -2.13 4.05 0.64 -4.85 115.26 106.46 1tvi n ASN 89 Ca 0.04 -0.59 -0.29 0.00 0.45 0.00 0.00 54.58 54.19 1tvi n ASN 89 Cb 0.50 -1.31 0.16 0.00 1.23 0.00 0.00 39.78 40.36 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 -2.68 2.95 -0.75 1.20 2.47 0.32 -4.95 114.94 113.49 1tvi s ASN 90 Ca 0.51 0.88 -0.23 0.00 0.42 0.00 0.00 52.86 54.44 1tvi s ASN 90 Cb -0.30 -1.36 0.07 0.00 -1.45 0.00 0.00 41.25 38.21 1tvi s ASN 90 CO 0.62 -2.89 1.09 -0.89 -3.72 0.00 0.00 177.10 171.31 1tvi s THR 91 N -3.25 4.26 0.39 -5.21 2.01 -1.26 -4.79 115.64 107.78 1tvi s THR 91 Ca 0.66 -0.49 0.16 0.00 0.31 0.00 0.00 61.69 62.33 1tvi s THR 91 Cb -0.14 -4.77 0.37 0.00 0.01 0.00 0.00 72.50 67.98 1tvi s THR 91 CO 0.54 -1.57 1.79 0.15 -0.69 0.00 0.00 174.62 174.84 1tvi h PHE 92 N 9.53 0.70 -0.19 4.92 3.57 -1.92 0.60 116.94 134.15 1tvi h PHE 92 Ca -0.17 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 1tvi h PHE 92 Cb 1.05 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1tvi h PHE 92 CO 1.06 0.11 -0.01 0.93 -2.23 0.00 0.00 178.31 178.17 1tvi h GLU 93 N 0.46 0.34 -0.14 1.11 3.07 -1.96 -0.60 114.58 116.86 1tvi h GLU 93 Ca 0.56 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.29 1tvi h GLU 93 Cb 1.32 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 1tvi h GLU 93 CO -0.28 0.56 0.03 -0.22 -1.40 0.00 0.00 179.01 177.69 1tvi h LYS 94 N 0.08 0.23 -0.76 2.33 3.11 -1.22 0.55 116.57 120.89 1tvi h LYS 94 Ca 0.05 -0.06 0.11 0.00 -2.81 0.00 0.00 60.65 57.94 1tvi h LYS 94 Cb 0.41 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.53 1tvi h LYS 94 CO 0.01 0.40 0.38 1.49 -2.81 0.00 0.00 179.45 178.92 1tvi h GLU 95 N 0.02 0.59 -0.07 1.90 4.22 0.10 0.73 114.58 122.08 1tvi h GLU 95 Ca 0.04 -0.04 -0.18 0.00 0.08 0.00 0.00 59.36 59.27 1tvi h GLU 95 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1tvi h GLU 95 CO 0.00 0.39 -0.73 1.25 -2.18 0.00 0.00 179.01 177.75 1tvi h LEU 96 N 0.61 0.43 -1.96 1.64 7.12 -0.86 -2.87 115.31 119.42 1tvi h LEU 96 Ca 0.39 -0.28 0.01 0.00 0.13 0.00 0.00 57.88 58.13 1tvi h LEU 96 Cb 0.46 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1tvi h LEU 96 CO -0.30 1.02 0.05 -0.07 -0.13 0.00 0.00 178.44 179.00 1tvi h LEU 97 N 0.24 0.05 0.67 2.25 4.07 0.22 -1.32 115.31 121.50 1tvi h LEU 97 Ca -0.03 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1tvi h LEU 97 Cb 1.30 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 43.03 1tvi h LEU 97 CO 0.12 0.04 -0.32 -0.33 -1.08 0.00 0.00 178.44 176.87 1tvi h GLU 98 N 0.06 -0.86 0.00 1.13 5.08 -0.73 0.71 114.58 119.97 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 0.05 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1tvi h GLU 98 CO -0.00 -0.57 -0.03 -0.39 -1.00 0.00 0.00 179.01 177.02 1tvi h VAL 99 N -0.92 0.44 0.16 3.13 -1.51 -1.50 1.68 116.25 117.74 1tvi h VAL 99 Ca -0.09 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.22 1tvi h VAL 99 Cb 0.69 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1tvi h VAL 99 CO 0.15 0.03 -0.08 0.58 -1.23 0.00 0.00 177.57 177.02 1tvi h VAL 100 N 0.00 0.97 0.00 7.19 2.07 -0.45 -3.10 116.25 122.93 1tvi h VAL 100 Ca -0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1tvi h VAL 100 Cb 0.10 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1tvi h VAL 100 CO 0.00 0.19 -0.06 0.16 0.02 0.00 0.00 177.57 177.89 1tvi h ILE 101 N -0.66 0.00 -0.75 4.57 3.07 -0.18 -3.22 117.51 120.33 1tvi h ILE 101 Ca -0.02 -0.61 0.22 0.00 1.55 0.00 0.00 64.86 66.00 1tvi h ILE 101 Cb 0.48 1.57 -0.03 0.00 -0.27 0.00 0.00 36.82 38.58 1tvi h ILE 101 CO 0.04 0.00 0.59 -0.74 -1.05 0.00 0.00 178.15 176.99 1tvi h HIS 102 N 0.00 0.00 0.00 0.16 2.76 0.26 2.40 115.15 120.73 1tvi h HIS 102 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1tvi h HIS 102 Cb 0.80 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 1tvi h HIS 102 CO 0.00 0.00 -0.11 0.78 -1.30 0.00 0.00 177.93 177.30 1tvi h GLY 103 N 0.00 0.00 0.56 5.26 0.00 -1.64 -3.07 103.07 104.18 1tvi h GLY 103 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1tvi h GLY 103 CO -0.00 0.00 -0.13 -2.22 0.00 0.00 0.00 176.54 174.18 1tvi h ILE 104 N -1.00 0.69 -0.43 2.60 2.04 -1.29 -2.73 117.51 117.38 1tvi h ILE 104 Ca -0.03 -0.76 0.13 0.00 1.00 0.00 0.00 64.86 65.20 1tvi h ILE 104 Cb 0.92 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1tvi h ILE 104 CO -0.02 0.14 0.61 0.17 0.00 0.00 0.00 178.15 179.05 1tvi h LEU 105 N -0.82 0.00 0.26 1.44 8.10 0.38 0.42 115.31 125.08 1tvi h LEU 105 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 1tvi h LEU 105 Cb 0.51 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.73 1tvi h LEU 105 CO 0.06 0.00 -0.15 -0.74 -4.11 0.00 0.00 178.44 173.50 1tvi h HIS 106 N 0.00 -0.39 0.00 0.17 2.76 -1.38 -2.73 115.15 113.59 1tvi h HIS 106 Ca 0.21 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1tvi h HIS 106 Cb 1.42 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.52 1tvi h HIS 106 CO 0.00 -0.23 0.00 1.37 -1.30 0.00 0.00 177.93 177.77 1tvi h LEU 107 N -0.38 0.00 -2.38 0.26 -0.00 -1.25 -2.49 115.31 109.08 1tvi h LEU 107 Ca -0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1tvi h LEU 107 Cb 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1tvi h LEU 107 CO 0.04 0.00 0.19 0.00 -0.00 0.00 0.00 178.44 178.67 1tvi h ALA 108 N 2.01 1.45 -3.00 0.17 0.00 0.07 -3.45 119.26 116.52 1tvi h ALA 108 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tvi h ALA 108 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1tvi h ALA 108 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.43 1tvi n GLY 109 N -1.26 2.79 2.78 0.00 0.00 -0.94 -5.03 105.19 103.53 1tvi n GLY 109 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1tvi n GLY 109 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tvi n TYR 110 N 0.00 -3.42 0.00 1.61 4.02 -1.24 -4.82 117.16 113.32 1tvi n TYR 110 Ca 0.00 1.63 0.00 0.00 -0.01 0.00 0.00 57.90 59.52 1tvi n TYR 110 Cb 0.00 -3.49 0.00 0.00 -0.02 0.00 0.00 39.34 35.83 1tvi n TYR 110 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1tvi n ASP 111 N 1.04 0.00 -3.77 7.72 2.03 -1.26 -4.62 116.55 117.69 1tvi n ASP 111 Ca -0.08 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.99 1tvi n ASP 111 Cb 0.19 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.62 1tvi n ASP 111 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1tvi n HIS 112 N 0.00 -2.05 0.00 -0.67 8.25 -1.26 -4.73 115.22 114.76 1tvi n HIS 112 Ca 0.00 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 1tvi n HIS 112 Cb 0.00 -4.27 0.00 0.00 1.12 0.00 0.00 29.99 26.84 1tvi n HIS 112 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1tvi n GLU 113 N -4.42 0.00 -0.08 -0.41 4.07 -1.26 -4.95 120.64 113.59 1tvi n GLU 113 Ca -0.19 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 56.85 1tvi n GLU 113 Cb 0.63 -0.01 -0.00 0.00 -0.06 0.00 0.00 31.44 31.99 1tvi n GLU 113 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1tvi h PHE 114 N 0.00 -0.24 0.00 4.31 3.57 -1.92 -3.45 116.94 119.21 1tvi h PHE 114 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1tvi h PHE 114 Cb 0.00 0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1tvi h PHE 114 CO 0.00 -0.17 0.00 0.39 -2.23 0.00 0.00 178.31 176.30 1tvi n GLU 115 N -5.28 0.00 -3.98 1.11 1.02 -1.26 -4.35 120.64 107.90 1tvi n GLU 115 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1tvi n GLU 115 Cb 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.63 1tvi n GLU 115 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1tvi s ASP 116 N -4.00 0.01 0.00 1.62 -1.08 -1.26 -5.04 116.67 106.91 1tvi s ASP 116 Ca 0.00 -0.24 0.00 0.00 -0.52 0.00 0.00 52.55 51.79 1tvi s ASP 116 Cb 0.00 0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.64 1tvi s ASP 116 CO 0.00 -0.35 0.00 0.29 0.52 0.00 0.00 175.17 175.63 1tvi n LYS 117 N -0.88 0.00 0.00 4.34 4.76 -1.26 -3.58 118.16 121.53 1tvi n LYS 117 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1tvi n LYS 117 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1tvi n LYS 117 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1tvi n ASN 118 N 3.77 0.00 -0.37 4.39 2.85 -1.26 -5.16 115.26 119.48 1tvi n ASN 118 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1tvi n ASN 118 Cb 0.00 0.35 0.00 0.00 1.24 0.00 0.00 39.78 41.37 1tvi n ASN 118 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1tvi n SER 119 N -2.23 -2.91 -0.04 1.20 2.88 -1.23 -3.83 113.62 107.46 1tvi n SER 119 Ca 0.00 0.28 -0.15 0.00 -1.33 0.00 0.00 58.87 57.68 1tvi n SER 119 Cb 0.00 -0.31 -0.09 0.00 -0.75 0.00 0.00 64.21 63.06 1tvi n SER 119 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1tvi h LYS 120 N 0.43 0.34 -0.42 -1.46 6.56 -1.92 0.17 116.57 120.27 1tvi h LYS 120 Ca 0.00 -0.25 0.06 0.00 -1.06 0.00 0.00 60.65 59.39 1tvi h LYS 120 Cb 0.00 0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 31.65 1tvi h LYS 120 CO 0.00 0.88 0.12 1.49 -2.06 0.00 0.00 179.45 179.88 1tvi h GLU 121 N -0.12 0.26 -0.08 3.15 4.57 -1.90 0.56 114.58 121.02 1tvi h GLU 121 Ca -0.01 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1tvi h GLU 121 Cb 0.91 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1tvi h GLU 121 CO 0.06 0.17 -0.08 1.98 -1.18 0.00 0.00 179.01 179.97 1tvi h MET 122 N 0.27 0.18 -0.93 1.92 4.05 -1.77 -1.99 114.93 116.67 1tvi h MET 122 Ca 0.20 -0.10 0.08 0.00 -0.28 0.00 0.00 59.70 59.59 1tvi h MET 122 Cb 0.21 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.95 1tvi h MET 122 CO -0.22 0.62 0.60 0.35 0.23 0.00 0.00 176.91 178.49 1tvi h PHE 123 N -0.25 1.07 0.31 1.39 3.04 -0.33 -0.02 116.94 122.14 1tvi h PHE 123 Ca 0.01 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1tvi h PHE 123 Cb 0.59 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.75 1tvi h PHE 123 CO 0.09 0.53 -0.15 0.93 -2.02 0.00 0.00 178.31 177.70 1tvi h GLU 124 N 1.03 -0.39 -0.18 1.11 5.08 0.16 -1.40 114.58 119.98 1tvi h GLU 124 Ca 0.41 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.85 1tvi h GLU 124 Cb 0.26 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1tvi h GLU 124 CO -0.17 -0.09 0.24 0.87 -1.00 0.00 0.00 179.01 178.86 1tvi h LYS 125 N -0.71 0.00 0.00 2.33 1.57 -0.94 0.25 116.57 119.07 1tvi h LYS 125 Ca -0.04 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 1tvi h LYS 125 Cb 0.48 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.81 1tvi h LYS 125 CO 0.07 0.00 -1.02 0.37 -0.57 0.00 0.00 179.45 178.30 1tvi h GLN 126 N 0.00 0.63 -0.24 3.15 4.15 -0.56 -3.18 115.11 119.06 1tvi h GLN 126 Ca 0.08 -0.68 -0.11 0.00 0.77 0.00 0.00 58.65 58.72 1tvi h GLN 126 Cb 0.57 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1tvi h GLN 126 CO -0.00 1.27 -0.30 0.87 -1.93 0.00 0.00 178.83 178.75 1tvi h LYS 127 N 0.36 0.49 -0.28 1.69 1.57 0.53 0.55 116.57 121.48 1tvi h LYS 127 Ca -0.12 -0.20 0.06 0.00 -1.87 0.00 0.00 60.65 58.52 1tvi h LYS 127 Cb 1.67 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.90 1tvi h LYS 127 CO 0.20 0.74 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.47 1tvi h LYS 128 N 0.43 -0.08 -0.10 3.15 1.63 -1.13 1.23 116.57 121.70 1tvi h LYS 128 Ca 0.06 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.76 1tvi h LYS 128 Cb 0.73 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1tvi h LYS 128 CO 0.06 -0.05 -0.35 1.88 -3.45 0.00 0.00 179.45 177.54 1tvi h TYR 129 N -0.08 0.54 -0.57 1.91 0.05 -1.51 -0.76 116.97 116.55 1tvi h TYR 129 Ca 0.15 -0.22 0.07 0.00 0.05 0.00 0.00 58.73 58.77 1tvi h TYR 129 Cb 0.30 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.89 1tvi h TYR 129 CO -0.32 0.96 0.25 0.28 -1.05 0.00 0.00 178.16 178.28 1tvi h VAL 130 N -0.04 0.86 -0.42 -2.88 2.07 -0.45 1.43 116.25 116.82 1tvi h VAL 130 Ca -0.02 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1tvi h VAL 130 Cb 0.98 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1tvi h VAL 130 CO 0.07 0.08 -0.10 -0.33 0.02 0.00 0.00 177.57 177.32 1tvi h GLU 131 N 0.47 0.81 -0.31 1.57 5.08 0.15 1.14 114.58 123.50 1tvi h GLU 131 Ca 0.27 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1tvi h GLU 131 Cb 0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1tvi h GLU 131 CO -0.24 0.93 0.05 0.93 -1.00 0.00 0.00 179.01 179.69 1tvi h GLU 132 N 0.64 0.51 -0.24 2.33 4.39 -0.10 1.24 114.58 123.34 1tvi h GLU 132 Ca 0.11 -0.14 -0.19 0.00 0.34 0.00 0.00 59.36 59.48 1tvi h GLU 132 Cb 0.63 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1tvi h GLU 132 CO 0.04 0.60 -0.61 0.28 -1.16 0.00 0.00 179.01 178.17 1tvi h VAL 133 N 0.33 1.28 0.00 3.13 2.07 0.20 -2.44 116.25 120.83 1tvi h VAL 133 Ca 0.09 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1tvi h VAL 133 Cb 0.34 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1tvi h VAL 133 CO 0.01 0.58 0.00 1.87 0.02 0.00 0.00 177.57 180.05 1tvi n TRP 134 N -3.98 0.60 -0.26 1.57 -0.00 0.39 -3.19 117.44 112.57 1tvi n TRP 134 Ca -0.05 0.20 0.25 0.00 -0.00 0.00 0.00 57.50 57.90 1tvi n TRP 134 Cb 0.66 -0.82 0.60 0.00 -0.00 0.00 0.00 31.31 31.75 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 3.73 0.61 0.00 5.87 0.00 0.21 1.66 103.07 115.15 1tvi h GLY 135 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 1tvi h GLY 135 CO 0.00 -0.04 -0.73 -2.09 0.00 0.00 0.00 176.54 173.67 1tvi h GLU 136 N 0.23 0.00 -0.00 4.80 4.81 -1.71 -3.32 114.58 119.39 1tvi h GLU 136 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1tvi h GLU 136 Cb 1.58 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.96 1tvi h GLU 136 CO -0.14 0.60 0.16 -1.49 -0.73 0.00 0.00 179.01 177.40 1tvi h TRP 137 N -1.00 0.00 -1.08 0.92 4.06 -1.53 -0.53 115.95 116.79 1tvi h TRP 137 Ca -0.16 0.00 0.29 0.00 2.06 0.00 0.00 58.89 61.08 1tvi h TRP 137 Cb 0.89 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.96 1tvi h TRP 137 CO 0.02 0.00 0.71 0.00 -3.56 0.00 0.00 178.44 175.61 1tvi h ARG 138 N 0.00 0.29 0.00 0.49 2.47 0.23 1.73 114.38 119.60 1tvi h ARG 138 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1tvi h ARG 138 Cb 0.32 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1tvi h ARG 138 CO -0.00 0.19 0.02 0.77 0.56 0.00 0.00 179.97 181.51 1tvi h SER 139 N 0.30 0.00 -3.54 7.04 0.02 -1.31 -3.19 113.55 112.87 1tvi h SER 139 Ca 0.61 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.90 1tvi h SER 139 Cb 1.71 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.86 1tvi h SER 139 CO -0.26 0.00 -0.44 0.20 -1.14 0.00 0.00 176.83 175.19 1tvi s ASN 140 N -4.19 5.07 0.30 3.07 0.01 0.59 -5.06 114.94 114.72 1tvi s ASN 140 Ca -0.03 -3.54 0.00 0.00 -0.71 0.00 0.00 52.86 48.58 1tvi s ASN 140 Cb 0.07 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 40.00 1tvi s ASN 140 CO 0.23 -0.17 0.00 -0.81 -1.51 0.00 0.00 177.10 174.84 1tvi n PRO 141 N 2.46 0.55 -0.71 -0.60 -0.04 -1.21 -4.79 135.00 130.67 1tvi n PRO 141 Ca 0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.42 1tvi n PRO 141 Cb 0.35 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 1tvi n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tvi n SER 142 N -0.90 4.64 -0.82 3.54 2.88 -1.26 -4.26 113.62 117.44 1tvi n SER 142 Ca 0.00 -2.28 -0.10 0.00 -1.33 0.00 0.00 58.87 55.16 1tvi n SER 142 Cb 0.00 -1.05 -0.04 0.00 -0.75 0.00 0.00 64.21 62.36 1tvi n SER 142 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tvi n GLU 143 N 3.98 -1.70 -3.64 -1.46 -0.58 -1.26 -4.86 120.64 111.12 1tvi n GLU 143 Ca 0.41 0.82 -0.07 0.00 -0.42 0.00 0.00 57.16 57.91 1tvi n GLU 143 Cb 0.19 -5.18 -0.07 0.00 -0.57 0.00 0.00 31.44 25.81 1tvi n GLU 143 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1tvi s ASP 144 N -2.27 -0.56 -0.11 1.62 1.01 -1.26 -5.09 116.67 110.01 1tvi s ASP 144 Ca 0.00 0.99 -0.11 0.00 0.71 0.00 0.00 52.55 54.14 1tvi s ASP 144 Cb 0.00 1.11 -0.04 0.00 1.01 0.00 0.00 42.92 45.00 1tvi s ASP 144 CO 0.00 -0.16 -0.22 -0.24 0.21 0.00 0.00 175.17 174.76 1tvi n SER 145 N 3.02 1.28 -4.47 0.27 2.88 -1.26 -4.64 113.62 110.70 1tvi n SER 145 Ca -0.16 0.22 -0.43 0.00 -1.33 0.00 0.00 58.87 57.17 1tvi n SER 145 Cb 0.57 -0.63 -0.14 0.00 -0.75 0.00 0.00 64.21 63.26 1tvi n SER 145 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1tvi n ASP 146 N -3.79 0.44 -0.01 -3.46 9.92 -1.26 -4.75 116.55 113.65 1tvi n ASP 146 Ca -0.09 0.22 -0.17 0.00 -0.53 0.00 0.00 54.79 54.23 1tvi n ASP 146 Cb 0.33 -0.94 -0.10 0.00 -0.64 0.00 0.00 41.12 39.76 1tvi n ASP 146 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1tvi h PRO 147 N 11.87 0.46 0.00 -0.24 0.13 -2.04 -3.46 132.00 138.72 1tvi h PRO 147 Ca -0.07 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1tvi h PRO 147 Cb 1.32 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1tvi h PRO 147 CO 1.34 1.09 0.00 0.41 -0.23 0.00 0.00 178.00 180.61 1tvi n GLY 148 N 0.94 -0.94 2.16 1.56 0.00 -1.26 -5.10 105.19 102.56 1tvi n GLY 148 Ca -0.10 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1tvi n GLY 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tvi n LYS 149 N 0.00 -4.80 0.00 1.61 4.81 -1.26 -5.33 118.16 113.19 1tvi n LYS 149 Ca 0.00 3.51 0.12 0.00 -0.87 0.00 0.00 58.31 61.07 1tvi n LYS 149 Cb 0.00 -4.24 0.10 0.00 0.02 0.00 0.00 35.03 30.91 1tvi n LYS 149 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46