#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 0.47 -0.02 2.02 1.09 -1.26 -4.17 121.20 119.34 1tvi s ILE 2 Ca 0.00 -1.47 -0.09 0.00 -1.10 0.00 0.00 60.65 57.99 1tvi s ILE 2 Cb 0.00 -1.08 0.01 0.00 -1.06 0.00 0.00 42.46 40.33 1tvi s ILE 2 CO 0.00 -0.67 0.20 -0.60 -0.10 0.00 0.00 174.94 173.77 1tvi s ARG 3 N -2.73 0.49 0.11 2.79 6.06 -1.15 -4.99 118.95 119.52 1tvi s ARG 3 Ca -0.01 -0.22 0.08 0.00 -2.50 0.00 0.00 55.73 53.08 1tvi s ARG 3 Cb -0.02 0.21 -0.04 0.00 0.06 0.00 0.00 34.95 35.17 1tvi s ARG 3 CO -0.03 -0.12 -0.15 0.96 -2.50 0.00 0.00 175.30 173.46 1tvi s ILE 4 N -1.11 3.05 0.21 4.11 -0.00 -1.26 -1.18 121.20 125.03 1tvi s ILE 4 Ca -0.12 -1.39 0.05 0.00 -0.00 0.00 0.00 60.65 59.19 1tvi s ILE 4 Cb -0.06 -2.40 -0.05 0.00 -0.00 0.00 0.00 42.46 39.95 1tvi s ILE 4 CO 0.02 0.12 -0.06 -0.76 -0.00 0.00 0.00 174.94 174.26 1tvi s LEU 5 N -2.12 2.40 0.00 0.37 1.43 0.23 -4.85 118.68 116.14 1tvi s LEU 5 Ca 0.19 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1tvi s LEU 5 Cb -0.11 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.68 1tvi s LEU 5 CO 0.11 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1tvi n GLY 6 N -0.39 3.04 3.48 -3.19 0.00 -1.26 -1.63 105.19 105.24 1tvi n GLY 6 Ca -0.07 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 1.01 0.00 1.61 -1.05 -0.70 -4.86 118.70 114.70 1tvi s GLU 7 Ca 0.00 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 1tvi s GLU 7 Cb 0.00 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1tvi s GLU 7 CO 0.00 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.21 1tvi n GLY 8 N 0.04 4.48 3.09 -3.83 0.00 -1.26 -3.73 105.19 103.98 1tvi n GLY 8 Ca -0.14 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.19 0.00 0.00 1.61 4.81 -1.26 -2.92 118.16 119.21 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 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 33.68 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 6.35 0.36 0.31 3.14 0.00 -1.26 -4.67 105.19 109.42 1tvi n GLY 10 Ca 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 1tvi n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tvi h SER 11 N 0.00 -0.78 -0.36 1.61 4.64 -1.95 0.64 113.55 117.35 1tvi h SER 11 Ca 0.00 0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1tvi h SER 11 Cb 0.00 0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1tvi h SER 11 CO 0.00 -0.37 -0.08 0.07 -0.87 0.00 0.00 176.83 175.58 1tvi h LYS 12 N -0.51 0.69 -1.02 4.77 2.10 -1.95 -2.00 116.57 118.65 1tvi h LYS 12 Ca 0.02 -0.26 0.27 0.00 -2.00 0.00 0.00 60.65 58.68 1tvi h LYS 12 Cb 0.52 -0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 31.74 1tvi h LYS 12 CO -0.14 0.84 0.69 1.25 -2.00 0.00 0.00 179.45 180.10 1tvi h LEU 13 N 0.49 0.27 0.00 7.07 5.85 -1.85 0.26 115.31 127.40 1tvi h LEU 13 Ca 0.09 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1tvi h LEU 13 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1tvi h LEU 13 CO 0.03 0.07 -0.24 0.25 -0.34 0.00 0.00 178.44 178.21 1tvi h LEU 14 N 0.25 0.21 -1.91 2.25 7.12 -0.41 -3.12 115.31 119.69 1tvi h LEU 14 Ca 0.54 -0.79 0.11 0.00 0.13 0.00 0.00 57.88 57.87 1tvi h LEU 14 Cb 1.65 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.70 1tvi h LEU 14 CO -0.17 0.97 0.47 -0.33 -0.13 0.00 0.00 178.44 179.25 1tvi h GLU 15 N -0.53 0.00 -0.10 1.25 5.08 0.15 0.67 114.58 121.11 1tvi h GLU 15 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1tvi h GLU 15 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1tvi h GLU 15 CO 0.05 0.00 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.08 1tvi h ASN 16 N 0.00 0.22 -0.95 1.42 2.35 -1.00 -3.22 115.58 114.39 1tvi h ASN 16 Ca 0.17 -0.44 -0.61 0.00 -0.55 0.00 0.00 56.30 54.88 1tvi h ASN 16 Cb 1.11 -0.06 -0.37 0.00 0.05 0.00 0.00 38.32 39.05 1tvi h ASN 16 CO -0.00 0.61 -0.15 0.00 -1.65 0.00 0.00 177.43 176.24 1tvi n LEU 17 N -4.71 5.97 -0.03 1.61 -0.00 0.87 -4.66 117.00 116.05 1tvi n LEU 17 Ca -0.07 -4.64 -0.15 0.00 -0.00 0.00 0.00 56.01 51.15 1tvi n LEU 17 Cb 0.29 -0.60 -0.12 0.00 -0.00 0.00 0.00 43.42 42.99 1tvi n LEU 17 CO 0.36 1.89 0.39 0.50 -0.00 0.00 0.00 177.39 180.53 1tvi h LYS 18 N 2.19 0.15 -0.20 1.47 3.64 0.13 -3.09 116.57 120.87 1tvi h LYS 18 Ca 0.45 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.55 1tvi h LYS 18 Cb 1.17 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1tvi h LYS 18 CO 1.08 0.93 -0.37 0.93 -2.27 0.00 0.00 179.45 179.75 1tvi h GLU 19 N -0.56 0.43 -0.73 1.90 5.08 -1.83 -2.15 114.58 116.72 1tvi h GLU 19 Ca -0.03 -0.20 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1tvi h GLU 19 Cb 1.01 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 1tvi h GLU 19 CO 0.05 0.74 0.48 -0.22 -1.00 0.00 0.00 179.01 179.06 1tvi h LYS 20 N 0.36 0.67 0.00 2.33 1.63 -1.87 0.21 116.57 119.90 1tvi h LYS 20 Ca 0.04 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.64 1tvi h LYS 20 Cb 0.82 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1tvi h LYS 20 CO 0.07 0.44 -0.73 -0.07 -3.45 0.00 0.00 179.45 175.71 1tvi h LEU 21 N 0.69 0.00 -1.97 5.20 3.38 -1.38 -3.07 115.31 118.16 1tvi h LEU 21 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1tvi h LEU 21 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1tvi h LEU 21 CO -0.12 0.73 0.00 -0.33 0.09 0.00 0.00 178.44 178.82 1tvi h GLU 22 N 0.00 0.00 0.06 1.13 5.08 0.02 -2.65 114.58 118.21 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 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1tvi h GLU 22 CO 0.10 0.00 -0.03 0.93 -1.00 0.00 0.00 179.01 179.01 1tvi h GLU 23 N 0.00 -0.07 -0.69 2.33 5.08 -1.23 -0.20 114.58 119.80 1tvi h GLU 23 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1tvi h GLU 23 Cb 0.33 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.50 1tvi h GLU 23 CO 0.00 0.51 0.22 -0.84 -1.00 0.00 0.00 179.01 177.90 1tvi h ILE 24 N -0.91 0.64 -0.08 3.13 3.07 -1.58 1.57 117.51 123.35 1tvi h ILE 24 Ca -0.01 -0.12 -0.02 0.00 1.55 0.00 0.00 64.86 66.26 1tvi h ILE 24 Cb 0.62 0.25 -0.00 0.00 -0.27 0.00 0.00 36.82 37.42 1tvi h ILE 24 CO 0.01 0.06 -0.02 -0.37 -1.05 0.00 0.00 178.15 176.79 1tvi h VAL 25 N 0.35 1.28 -0.88 0.16 -1.51 -1.56 -1.13 116.25 112.96 1tvi h VAL 25 Ca 0.37 -0.91 0.06 0.00 -1.23 0.00 0.00 66.70 65.00 1tvi h VAL 25 Cb 0.57 1.72 -0.06 0.00 -2.13 0.00 0.00 31.29 31.39 1tvi h VAL 25 CO -0.41 0.25 0.55 0.50 -1.23 0.00 0.00 177.57 177.23 1tvi h LYS 26 N -0.17 0.97 -0.11 5.19 1.63 0.46 1.84 116.57 126.38 1tvi h LYS 26 Ca 0.02 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1tvi h LYS 26 Cb 0.41 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1tvi h LYS 26 CO 0.01 0.64 0.07 -0.22 -3.45 0.00 0.00 179.45 176.50 1tvi h LYS 27 N 1.00 0.15 0.48 1.90 3.64 0.24 -3.24 116.57 120.74 1tvi h LYS 27 Ca 0.38 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 1tvi h LYS 27 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1tvi h LYS 27 CO -0.17 0.10 -0.23 1.49 -2.27 0.00 0.00 179.45 178.37 1tvi h GLU 28 N 0.15 -0.62 0.00 1.90 4.57 -0.22 -3.47 114.58 116.89 1tvi h GLU 28 Ca 0.04 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1tvi h GLU 28 Cb -0.01 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1tvi h GLU 28 CO -0.01 -0.42 0.00 1.51 -1.18 0.00 0.00 179.01 178.92 1tvi n ILE 29 N -4.81 0.00 -0.85 2.32 0.13 0.51 -5.09 119.36 111.58 1tvi n ILE 29 Ca -0.08 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.57 1tvi n ILE 29 Cb 0.25 -0.30 0.00 0.00 -0.84 0.00 0.00 39.64 38.75 1tvi n ILE 29 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1tvi n GLY 30 N 0.31 0.68 2.70 4.50 0.00 0.46 -4.60 105.19 109.24 1tvi n GLY 30 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.60 -1.89 -4.17 1.61 -0.08 -1.26 -4.87 116.55 105.29 1tvi n ASP 31 Ca 0.00 -2.51 -0.11 0.00 -1.51 0.00 0.00 54.79 50.66 1tvi n ASP 31 Cb 0.24 1.30 -0.10 0.00 2.34 0.00 0.00 41.12 44.90 1tvi n ASP 31 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1tvi s VAL 32 N 0.29 0.65 -0.31 5.18 0.11 -1.26 -5.13 120.40 119.93 1tvi s VAL 32 Ca 0.26 -1.93 0.01 0.00 -2.93 0.00 0.00 61.98 57.39 1tvi s VAL 32 Cb 0.24 -1.73 0.09 0.00 -1.53 0.00 0.00 36.38 33.46 1tvi s VAL 32 CO -0.15 -0.83 0.06 -1.00 -3.33 0.00 0.00 175.10 169.85 1tvi s HIS 33 N -3.66 2.46 -0.30 1.54 3.76 -1.26 -4.74 115.29 113.10 1tvi s HIS 33 Ca 0.13 -2.13 0.03 0.00 -0.15 0.00 0.00 55.06 52.95 1tvi s HIS 33 Cb 0.06 -2.07 0.08 0.00 1.11 0.00 0.00 32.58 31.75 1tvi s HIS 33 CO -0.04 -0.88 -0.03 0.08 -0.85 0.00 0.00 174.74 173.02 1tvi s VAL 34 N 1.36 2.20 -0.12 -0.90 1.01 -1.26 -2.17 120.40 120.52 1tvi s VAL 34 Ca 0.08 -1.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.02 1tvi s VAL 34 Cb -0.18 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1tvi s VAL 34 CO -0.16 -0.30 0.17 0.20 0.00 0.00 0.00 175.10 175.01 1tvi s ASN 35 N 1.02 6.42 -0.10 3.32 0.01 -0.60 -2.96 114.94 122.05 1tvi s ASN 35 Ca 0.00 0.50 -0.01 0.00 -0.71 0.00 0.00 52.86 52.64 1tvi s ASN 35 Cb -0.19 -2.09 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 1tvi s ASN 35 CO -0.07 0.37 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.18 1tvi s VAL 36 N -0.88 3.99 -0.46 1.60 1.01 -0.32 0.80 120.40 126.14 1tvi s VAL 36 Ca 0.15 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1tvi s VAL 36 Cb -0.12 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.64 1tvi s VAL 36 CO 0.04 0.58 0.39 -0.63 0.00 0.00 0.00 175.10 175.48 1tvi s ILE 37 N -0.56 5.22 -0.51 2.22 -1.09 0.12 0.77 121.20 127.37 1tvi s ILE 37 Ca 0.09 -0.93 -0.27 0.00 -2.23 0.00 0.00 60.65 57.31 1tvi s ILE 37 Cb -0.12 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.70 1tvi s ILE 37 CO 0.02 -0.53 1.07 -0.76 -1.23 0.00 0.00 174.94 173.51 1tvi s LEU 38 N 1.71 3.74 -0.06 2.97 1.43 -0.65 -0.32 118.68 127.50 1tvi s LEU 38 Ca 0.05 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1tvi s LEU 38 Cb -0.23 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.77 1tvi s LEU 38 CO 0.08 -1.27 0.16 0.68 0.23 0.00 0.00 176.35 176.24 1tvi s VAL 39 N 4.35 -0.01 0.00 -1.59 -7.23 -0.83 -1.73 120.40 113.36 1tvi s VAL 39 Ca 0.41 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1tvi s VAL 39 Cb -0.09 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.61 1tvi s VAL 39 CO 0.27 0.02 0.00 -1.54 -0.31 0.00 0.00 175.10 173.54 1tvi n SER 40 N 3.34 -0.48 -0.03 4.85 3.41 -1.26 -3.93 113.62 119.51 1tvi n SER 40 Ca -0.16 -0.15 -0.13 0.00 -0.26 0.00 0.00 58.87 58.16 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 0.02 -0.20 4.33 4.81 -1.94 -1.98 114.58 119.62 1tvi h GLU 41 Ca 0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 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 0.60 -0.44 -0.44 -0.73 0.00 0.00 179.01 178.01 1tvi h ASP 42 N -0.56 0.54 -0.70 1.04 5.19 -1.98 0.18 116.42 120.13 1tvi h ASP 42 Ca -0.00 -0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 1tvi h ASP 42 Cb 0.60 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 1tvi h ASP 42 CO 0.00 0.90 0.41 -0.33 -3.12 0.00 0.00 179.24 177.11 1tvi h GLU 43 N 0.41 0.97 0.00 3.56 5.08 -1.89 -1.94 114.58 120.77 1tvi h GLU 43 Ca 0.03 -0.09 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 1tvi h GLU 43 Cb 0.93 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1tvi h GLU 43 CO 0.08 0.69 -1.23 0.97 -1.00 0.00 0.00 179.01 178.52 1tvi h ILE 44 N 0.98 1.43 -0.69 3.13 6.09 -1.09 -2.67 117.51 124.69 1tvi h ILE 44 Ca 0.25 -3.19 0.15 0.00 -1.37 0.00 0.00 64.86 60.71 1tvi h ILE 44 Cb -0.02 2.71 -0.12 0.00 0.47 0.00 0.00 36.82 39.86 1tvi h ILE 44 CO -0.05 0.82 -0.04 0.50 -3.07 0.00 0.00 178.15 176.32 1tvi h LYS 45 N 0.00 0.08 0.02 2.19 3.11 0.16 0.85 116.57 122.99 1tvi h LYS 45 Ca -0.10 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.69 1tvi h LYS 45 Cb 1.85 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 33.07 1tvi h LYS 45 CO 0.12 0.05 -0.21 0.93 -2.81 0.00 0.00 179.45 177.53 1tvi h GLU 46 N 0.08 0.05 -1.17 1.90 5.08 -1.60 -3.29 114.58 115.63 1tvi h GLU 46 Ca 0.36 -0.08 0.34 0.00 -1.00 0.00 0.00 59.36 58.98 1tvi h GLU 46 Cb 0.61 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.79 1tvi h GLU 46 CO -0.63 1.04 0.77 1.25 -1.00 0.00 0.00 179.01 180.44 1tvi h LEU 47 N -0.90 0.31 0.32 1.33 7.12 -1.03 0.72 115.31 123.18 1tvi h LEU 47 Ca -0.04 0.09 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 1tvi h LEU 47 Cb 1.12 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 1tvi h LEU 47 CO 0.01 -0.01 -0.27 -1.13 -0.13 0.00 0.00 178.44 176.91 1tvi h ASN 48 N 0.24 -0.71 0.60 1.25 -0.73 0.64 -1.94 115.58 114.93 1tvi h ASN 48 Ca 0.67 0.06 -0.07 0.00 1.87 0.00 0.00 56.30 58.83 1tvi h ASN 48 Cb 1.99 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 40.81 1tvi h ASN 48 CO -0.29 -0.40 -0.35 0.06 -0.37 0.00 0.00 177.43 176.08 1tvi h GLN 49 N -0.60 0.00 -0.03 6.67 3.07 0.44 1.62 115.11 126.28 1tvi h GLN 49 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.73 1tvi h GLN 49 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.09 1tvi h GLN 49 CO -0.02 0.35 0.19 1.96 0.09 0.00 0.00 178.83 181.39 1tvi h GLN 50 N 0.00 0.00 0.00 0.06 4.20 0.99 0.15 115.11 120.50 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 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1tvi h GLN 50 CO 0.05 0.00 -0.44 1.19 -0.67 0.00 0.00 178.83 178.95 1tvi n PHE 51 N -3.11 -0.17 0.21 2.96 3.01 -0.94 -4.79 117.46 114.63 1tvi n PHE 51 Ca -0.02 0.03 0.08 0.00 1.01 0.00 0.00 57.45 58.55 1tvi n PHE 51 Cb 0.26 0.25 0.44 0.00 -0.01 0.00 0.00 39.48 40.42 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 0.23 -3.46 114.38 112.54 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 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1tvi h ARG 52 CO 0.00 0.28 0.00 0.41 0.56 0.00 0.00 179.97 181.22 1tvi n GLY 53 N 0.03 1.04 3.77 0.04 0.00 0.51 -4.90 105.19 105.68 1tvi n GLY 53 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.15 2.84 -0.51 1.61 -2.07 -1.26 -4.83 119.66 115.29 1tvi s GLN 54 Ca 0.00 -0.81 -0.14 0.00 -1.82 0.00 0.00 55.36 52.59 1tvi s GLN 54 Cb 0.00 -2.65 0.12 0.00 -1.09 0.00 0.00 33.01 29.39 1tvi s GLN 54 CO 0.00 0.52 0.43 0.34 -1.32 0.00 0.00 175.29 175.26 1tvi s ASP 55 N -2.76 6.02 -0.30 12.60 2.15 -1.26 -1.93 116.67 131.18 1tvi s ASP 55 Ca 0.30 -1.77 -0.16 0.00 0.43 0.00 0.00 52.55 51.34 1tvi s ASP 55 Cb -0.11 -2.14 0.17 0.00 -0.30 0.00 0.00 42.92 40.54 1tvi s ASP 55 CO 0.22 -0.78 1.09 0.00 -0.17 0.00 0.00 175.17 175.53 1tvi s ARG 56 N 1.52 0.24 1.00 4.34 1.70 -1.26 -5.08 118.95 121.41 1tvi s ARG 56 Ca 0.04 0.47 -0.15 0.00 -0.47 0.00 0.00 55.73 55.61 1tvi s ARG 56 Cb -0.28 0.14 0.20 0.00 -0.57 0.00 0.00 34.95 34.44 1tvi s ARG 56 CO 0.02 -0.06 1.18 -1.25 -1.08 0.00 0.00 175.30 174.11 1tvi s PRO 57 N 1.61 0.36 0.17 3.89 0.04 -1.26 -4.82 135.00 134.99 1tvi s PRO 57 Ca -0.06 0.00 -0.24 0.00 0.04 0.00 0.00 61.00 60.74 1tvi s PRO 57 Cb -0.03 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.79 1tvi s PRO 57 CO -0.14 -2.67 0.95 -0.08 0.04 0.00 0.00 177.00 175.10 1tvi s THR 58 N -3.37 0.00 -0.01 1.26 -1.32 -1.26 -5.06 115.64 105.87 1tvi s THR 58 Ca 0.68 -0.69 -0.21 0.00 -1.21 0.00 0.00 61.69 60.26 1tvi s THR 58 Cb -0.10 -2.09 -0.12 0.00 -1.51 0.00 0.00 72.50 68.68 1tvi s THR 58 CO 0.54 0.00 0.90 -2.24 -2.21 0.00 0.00 174.62 171.60 1tvi h ASP 59 N 2.00 -0.57 -3.64 8.08 3.04 -1.95 -3.46 116.42 119.92 1tvi h ASP 59 Ca -0.24 -0.03 -0.19 0.00 -3.24 0.00 0.00 57.03 53.33 1tvi h ASP 59 Cb 1.23 0.15 -0.28 0.00 -1.04 0.00 0.00 39.33 39.39 1tvi h ASP 59 CO 0.26 -0.15 -0.51 0.54 -2.04 0.00 0.00 179.24 177.34 1tvi s VAL 60 N -4.00 -0.02 -0.17 4.15 0.11 -1.26 -3.49 120.40 115.72 1tvi s VAL 60 Ca -0.11 0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 58.86 1tvi s VAL 60 Cb 0.01 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 1tvi s VAL 60 CO 0.36 0.03 0.28 -0.76 -3.33 0.00 0.00 175.10 171.68 1tvi s LEU 61 N 0.54 4.23 -0.19 2.54 1.02 -0.29 -5.00 118.68 121.53 1tvi s LEU 61 Ca -0.04 0.47 -0.09 0.00 0.02 0.00 0.00 54.13 54.50 1tvi s LEU 61 Cb -0.05 -2.35 -0.04 0.00 0.02 0.00 0.00 46.19 43.76 1tvi s LEU 61 CO -0.03 0.09 0.09 -0.89 0.02 0.00 0.00 176.35 175.63 1tvi s THR 62 N 0.57 5.09 0.21 5.49 2.01 -1.26 -0.42 115.64 127.33 1tvi s THR 62 Ca 0.16 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.99 1tvi s THR 62 Cb -0.13 -3.30 -0.08 0.00 0.01 0.00 0.00 72.50 68.99 1tvi s THR 62 CO 0.04 0.46 0.80 0.12 -0.69 0.00 0.00 174.62 175.35 1tvi s PHE 63 N 0.31 3.81 -0.40 4.92 2.19 -1.25 -4.95 117.98 122.61 1tvi s PHE 63 Ca 0.06 1.61 -0.29 0.00 0.33 0.00 0.00 56.93 58.64 1tvi s PHE 63 Cb -0.12 -2.77 0.01 0.00 -1.31 0.00 0.00 43.02 38.83 1tvi s PHE 63 CO -0.01 0.42 1.40 -1.25 1.83 0.00 0.00 175.22 177.61 1tvi s PRO 64 N -1.52 3.62 -0.45 10.12 0.04 -1.26 -4.89 135.00 140.66 1tvi s PRO 64 Ca 0.40 0.98 0.10 0.00 0.04 0.00 0.00 61.00 62.52 1tvi s PRO 64 Cb -0.21 -4.01 0.36 0.00 0.04 0.00 0.00 34.50 30.68 1tvi s PRO 64 CO 0.25 -1.51 0.86 1.28 0.04 0.00 0.00 177.00 177.91 1tvi n LEU 65 N 8.68 2.47 -2.89 -3.56 4.77 -1.26 -4.97 117.00 120.24 1tvi n LEU 65 Ca 0.16 -5.15 -0.18 0.00 -0.03 0.00 0.00 56.01 50.81 1tvi n LEU 65 Cb 0.48 0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1tvi n LEU 65 CO 0.69 2.24 2.05 0.23 -1.33 0.00 0.00 177.39 181.28 1tvi n MET 66 N 0.01 1.89 -2.10 3.23 2.81 -1.26 -4.63 117.12 117.07 1tvi n MET 66 Ca 0.27 -1.23 -0.05 0.00 -1.81 0.00 0.00 57.70 54.87 1tvi n MET 66 Cb 0.58 -2.27 -0.00 0.00 -0.71 0.00 0.00 33.22 30.81 1tvi n MET 66 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1tvi n GLU 67 N 3.73 1.49 -0.29 0.03 4.71 -1.26 -4.99 120.64 124.05 1tvi n GLU 67 Ca 0.40 -0.63 0.04 0.00 -0.01 0.00 0.00 57.16 56.96 1tvi n GLU 67 Cb 0.26 0.10 0.11 0.00 -1.01 0.00 0.00 31.44 30.90 1tvi n GLU 67 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1tvi n GLU 68 N -0.57 -0.08 0.00 3.49 4.07 -1.26 -4.63 120.64 121.66 1tvi n GLU 68 Ca -0.02 1.25 0.00 0.00 -0.06 0.00 0.00 57.16 58.33 1tvi n GLU 68 Cb 0.11 -1.86 0.00 0.00 -0.06 0.00 0.00 31.44 29.63 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1tvi n ASP 69 N -5.30 0.00 -3.65 4.31 9.92 -1.26 -5.10 116.55 115.48 1tvi n ASP 69 Ca 0.12 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1tvi n ASP 69 Cb 0.39 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.81 1tvi n ASP 69 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1tvi s VAL 70 N 0.00 0.00 -0.34 2.53 1.01 -1.26 -4.81 120.40 117.53 1tvi s VAL 70 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.07 1tvi s VAL 70 Cb 0.00 -1.00 0.33 0.00 0.00 0.00 0.00 36.38 35.71 1tvi s VAL 70 CO 0.00 0.00 1.34 0.00 0.00 0.00 0.00 175.10 176.44 1tvi n TYR 71 N 3.41 -1.93 0.00 5.22 4.11 -1.26 -4.63 117.16 122.08 1tvi n TYR 71 Ca -0.18 -1.58 0.00 0.00 -0.00 0.00 0.00 57.90 56.14 1tvi n TYR 71 Cb 0.57 1.47 0.00 0.00 -0.00 0.00 0.00 39.34 41.38 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 -0.91 1.52 3.39 -7.48 0.00 -0.92 -4.65 105.19 96.14 1tvi n GLY 72 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 2.33 1.21 -0.00 1.61 1.03 -1.26 -1.55 118.70 122.07 1tvi s GLU 73 Ca 0.00 -0.57 0.01 0.00 0.03 0.00 0.00 54.97 54.45 1tvi s GLU 73 Cb 0.00 0.55 -0.00 0.00 -0.80 0.00 0.00 34.13 33.87 1tvi s GLU 73 CO 0.00 -0.51 -0.04 0.96 -1.33 0.00 0.00 175.26 174.34 1tvi s ILE 74 N -3.77 0.29 -0.01 1.83 -5.25 0.24 -3.97 121.20 110.55 1tvi s ILE 74 Ca 0.02 -0.16 -0.24 0.00 -0.99 0.00 0.00 60.65 59.28 1tvi s ILE 74 Cb -0.00 -0.25 -0.04 0.00 2.95 0.00 0.00 42.46 45.12 1tvi s ILE 74 CO -0.12 0.08 0.74 -0.31 -1.79 0.00 0.00 174.94 173.54 1tvi s TYR 75 N -0.09 3.66 0.08 1.37 2.02 0.44 0.14 117.35 124.97 1tvi s TYR 75 Ca 0.01 1.37 0.05 0.00 -0.37 0.00 0.00 57.07 58.14 1tvi s TYR 75 Cb -0.01 -2.82 -0.03 0.00 -0.40 0.00 0.00 41.96 38.69 1tvi s TYR 75 CO -0.00 0.17 -0.14 0.08 -1.57 0.00 0.00 175.55 174.09 1tvi s VAL 76 N 0.39 1.17 -0.28 0.71 1.01 0.56 -1.14 120.40 122.82 1tvi s VAL 76 Ca 0.39 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1tvi s VAL 76 Cb -0.19 -1.18 0.13 0.00 0.00 0.00 0.00 36.38 35.13 1tvi s VAL 76 CO 0.21 -0.27 0.26 0.00 0.00 0.00 0.00 175.10 175.30 1tvi n PRO 78 N 5.30 0.51 0.07 0.00 -0.04 -1.26 -2.62 135.00 136.97 1tvi n PRO 78 Ca -0.03 0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1tvi n PRO 78 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.20 -0.08 1.53 7.12 -1.91 -1.29 115.31 120.48 1tvi h LEU 79 Ca 0.00 -0.33 -0.25 0.00 0.13 0.00 0.00 57.88 57.43 1tvi h LEU 79 Cb 0.12 0.05 0.02 0.00 -0.53 0.00 0.00 40.66 40.32 1tvi h LEU 79 CO 0.00 0.29 -0.94 0.40 -0.13 0.00 0.00 178.44 178.06 1tvi h ILE 80 N -0.76 1.29 -0.37 4.05 5.03 -1.87 -0.96 117.51 123.93 1tvi h ILE 80 Ca -0.02 -2.17 0.07 0.00 -0.12 0.00 0.00 64.86 62.61 1tvi h ILE 80 Cb 0.52 2.25 -0.06 0.00 -3.03 0.00 0.00 36.82 36.49 1tvi h ILE 80 CO 0.04 0.68 -0.03 0.58 -0.68 0.00 0.00 178.15 178.73 1tvi h VAL 81 N 0.43 0.69 -0.08 1.67 2.07 -1.58 1.06 116.25 120.51 1tvi h VAL 81 Ca -0.10 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1tvi h VAL 81 Cb 1.59 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1tvi h VAL 81 CO 0.19 0.01 -0.05 -0.33 0.02 0.00 0.00 177.57 177.40 1tvi h GLU 82 N 0.06 0.18 -0.69 1.57 5.08 -1.25 0.54 114.58 120.08 1tvi h GLU 82 Ca 0.18 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1tvi h GLU 82 Cb 0.26 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1tvi h GLU 82 CO -0.33 0.57 0.34 1.49 -1.00 0.00 0.00 179.01 180.08 1tvi h GLU 83 N -0.21 0.56 -0.08 2.33 4.57 -0.61 1.49 114.58 122.63 1tvi h GLU 83 Ca 0.02 -0.03 -0.22 0.00 -1.18 0.00 0.00 59.36 57.94 1tvi h GLU 83 Cb 0.52 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1tvi h GLU 83 CO 0.01 0.37 -0.83 -0.91 -1.18 0.00 0.00 179.01 176.47 1tvi h ASN 84 N 0.58 0.73 0.41 1.04 2.35 0.12 -2.94 115.58 117.87 1tvi h ASN 84 Ca 0.34 -0.51 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 1tvi h ASN 84 Cb 0.35 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1tvi h ASN 84 CO -0.27 1.30 -0.30 0.00 -1.65 0.00 0.00 177.43 176.51 1tvi h ALA 85 N 0.68 1.35 -0.30 -0.83 0.00 0.14 -0.04 119.26 120.26 1tvi h ALA 85 Ca -0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1tvi h ALA 85 Cb 1.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1tvi h ALA 85 CO 0.16 0.37 -0.22 0.00 0.00 0.00 0.00 179.25 179.56 1tvi h ARG 86 N 0.00 0.58 0.00 0.00 3.08 0.22 1.86 114.38 120.12 1tvi h ARG 86 Ca -0.00 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 1tvi h ARG 86 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1tvi h ARG 86 CO 0.04 0.76 -0.63 1.05 -1.07 0.00 0.00 179.97 180.12 1tvi h GLU 87 N 0.51 0.00 -0.26 0.04 4.11 -1.28 -3.27 114.58 114.43 1tvi h GLU 87 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1tvi h GLU 87 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1tvi h GLU 87 CO 0.05 0.14 0.00 0.34 0.07 0.00 0.00 179.01 179.61 1tvi n PHE 88 N -2.96 0.66 -2.46 2.06 7.35 -0.08 -4.94 117.46 117.08 1tvi n PHE 88 Ca 0.00 -0.73 -0.00 0.00 -0.76 0.00 0.00 57.45 55.96 1tvi n PHE 88 Cb 0.62 -0.19 -0.00 0.00 0.35 0.00 0.00 39.48 40.27 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 -0.21 -0.98 -4.82 -2.13 4.05 0.58 -4.83 115.26 106.92 1tvi n ASN 89 Ca 0.16 0.48 -0.31 0.00 0.45 0.00 0.00 54.58 55.36 1tvi n ASN 89 Cb 0.68 -0.98 0.03 0.00 1.23 0.00 0.00 39.78 40.74 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 5.67 -0.77 1.20 2.47 0.16 -4.96 114.94 116.74 1tvi s ASN 90 Ca 0.00 1.63 -0.25 0.00 0.42 0.00 0.00 52.86 54.67 1tvi s ASN 90 Cb -0.00 -2.50 0.05 0.00 -1.45 0.00 0.00 41.25 37.35 1tvi s ASN 90 CO 0.00 -1.25 1.22 -0.89 -3.72 0.00 0.00 177.10 172.47 1tvi s THR 91 N -2.90 3.96 0.60 -5.21 2.01 -1.26 -4.68 115.64 108.16 1tvi s THR 91 Ca 0.59 -0.07 0.29 0.00 0.31 0.00 0.00 61.69 62.80 1tvi s THR 91 Cb -0.14 -4.88 0.36 0.00 0.01 0.00 0.00 72.50 67.86 1tvi s THR 91 CO 0.49 -1.75 1.90 0.15 -0.69 0.00 0.00 174.62 174.72 1tvi h PHE 92 N 9.81 0.00 0.01 4.92 3.57 -1.89 0.43 116.94 133.79 1tvi h PHE 92 Ca -0.18 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 1tvi h PHE 92 Cb 1.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1tvi h PHE 92 CO 1.12 0.00 -0.01 1.05 -2.23 0.00 0.00 178.31 178.24 1tvi h GLU 93 N 0.00 -0.02 -0.42 1.11 4.11 -1.98 -2.30 114.58 115.08 1tvi h GLU 93 Ca 0.17 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.53 1tvi h GLU 93 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1tvi h GLU 93 CO -0.00 0.66 -0.01 -0.22 0.07 0.00 0.00 179.01 179.50 1tvi h LYS 94 N -0.71 0.76 -0.77 1.06 3.64 -1.40 0.31 116.57 119.46 1tvi h LYS 94 Ca -0.00 -0.25 0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1tvi h LYS 94 Cb 0.68 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.36 1tvi h LYS 94 CO 0.00 0.84 0.41 1.49 -2.27 0.00 0.00 179.45 179.92 1tvi h GLU 95 N 0.59 0.66 -0.08 1.90 4.81 -0.32 0.01 114.58 122.15 1tvi h GLU 95 Ca 0.12 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 1tvi h GLU 95 Cb 0.51 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1tvi h GLU 95 CO 0.02 0.44 -0.65 1.25 -0.73 0.00 0.00 179.01 179.35 1tvi h LEU 96 N 0.68 0.71 -1.76 1.64 6.46 -1.16 -3.04 115.31 118.85 1tvi h LEU 96 Ca 0.38 -0.67 0.24 0.00 -0.12 0.00 0.00 57.88 57.70 1tvi h LEU 96 Cb 0.39 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 1tvi h LEU 96 CO -0.27 1.28 0.62 -0.07 -0.62 0.00 0.00 178.44 179.38 1tvi h LEU 97 N 0.20 0.19 0.26 2.25 4.07 0.59 0.10 115.31 122.97 1tvi h LEU 97 Ca -0.06 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1tvi h LEU 97 Cb 1.30 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1tvi h LEU 97 CO 0.13 0.07 -0.12 -0.33 -1.08 0.00 0.00 178.44 177.11 1tvi h GLU 98 N 0.19 -0.33 0.00 1.13 5.08 -0.91 0.19 114.58 119.93 1tvi h GLU 98 Ca 0.45 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 1tvi h GLU 98 Cb 1.47 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 1tvi h GLU 98 CO -0.09 -0.14 -0.09 -0.39 -1.00 0.00 0.00 179.01 177.30 1tvi h VAL 99 N -0.46 0.63 0.30 3.13 -1.51 -0.94 1.81 116.25 119.23 1tvi h VAL 99 Ca -0.04 -0.38 -0.01 0.00 -1.23 0.00 0.00 66.70 65.04 1tvi h VAL 99 Cb 0.35 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1tvi h VAL 99 CO 0.06 0.09 -0.15 0.58 -1.23 0.00 0.00 177.57 176.92 1tvi h VAL 100 N 0.00 0.49 0.00 7.19 2.07 -0.28 -3.16 116.25 122.55 1tvi h VAL 100 Ca -0.00 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1tvi h VAL 100 Cb 0.23 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1tvi h VAL 100 CO 0.01 0.11 0.00 0.16 0.02 0.00 0.00 177.57 177.88 1tvi h ILE 101 N -0.96 0.00 -0.93 4.57 3.07 -0.31 -3.12 117.51 119.84 1tvi h ILE 101 Ca -0.04 -0.43 0.24 0.00 1.55 0.00 0.00 64.86 66.18 1tvi h ILE 101 Cb 0.50 1.33 -0.06 0.00 -0.27 0.00 0.00 36.82 38.32 1tvi h ILE 101 CO 0.07 0.00 0.63 -0.74 -1.05 0.00 0.00 178.15 177.06 1tvi h HIS 102 N 0.00 0.34 0.01 0.16 2.76 0.28 2.12 115.15 120.81 1tvi h HIS 102 Ca 0.00 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1tvi h HIS 102 Cb 0.61 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1tvi h HIS 102 CO 0.00 0.07 -0.00 0.78 -1.30 0.00 0.00 177.93 177.48 1tvi h GLY 103 N 0.24 -0.01 0.91 5.26 0.00 -1.65 -2.94 103.07 104.87 1tvi h GLY 103 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1tvi h GLY 103 CO -0.12 -0.00 -0.12 -2.22 0.00 0.00 0.00 176.54 174.07 1tvi h ILE 104 N -0.99 0.79 -1.02 2.60 2.04 -1.41 -2.04 117.51 117.49 1tvi h ILE 104 Ca -0.00 -0.19 0.25 0.00 1.00 0.00 0.00 64.86 65.92 1tvi h ILE 104 Cb 0.71 0.91 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 1tvi h ILE 104 CO 0.00 0.04 0.66 0.17 0.00 0.00 0.00 178.15 179.02 1tvi h LEU 105 N -0.43 0.45 -0.25 1.44 8.10 0.33 1.42 115.31 126.37 1tvi h LEU 105 Ca -0.03 0.08 0.00 0.00 0.11 0.00 0.00 57.88 58.03 1tvi h LEU 105 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 1tvi h LEU 105 CO 0.06 0.11 0.17 0.45 -4.11 0.00 0.00 178.44 175.11 1tvi h HIS 106 N 0.41 0.32 0.00 0.17 3.86 -1.19 -1.30 115.15 117.43 1tvi h HIS 106 Ca 0.57 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.79 1tvi h HIS 106 Cb 1.43 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.80 1tvi h HIS 106 CO -0.00 0.21 0.00 1.25 0.86 0.00 0.00 177.93 180.25 1tvi h LEU 107 N 0.34 0.00 -1.53 2.43 6.46 0.20 -3.02 115.31 120.19 1tvi h LEU 107 Ca 0.09 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1tvi h LEU 107 Cb -0.03 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1tvi h LEU 107 CO -0.02 0.00 -0.23 0.00 -0.62 0.00 0.00 178.44 177.57 1tvi h ALA 108 N 2.30 1.28 0.00 1.25 0.00 0.28 -3.48 119.26 120.89 1tvi h ALA 108 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1tvi h ALA 108 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1tvi h ALA 108 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1tvi n GLY 109 N -0.46 3.45 1.46 0.00 0.00 -0.90 -5.05 105.19 103.69 1tvi n GLY 109 Ca -0.01 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.09 -1.00 -1.39 1.61 0.18 -1.26 -4.75 117.16 109.46 1tvi n TYR 110 Ca 0.00 -0.53 -0.39 0.00 1.88 0.00 0.00 57.90 58.86 1tvi n TYR 110 Cb 0.00 0.26 -0.02 0.00 -0.38 0.00 0.00 39.34 39.20 1tvi n TYR 110 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1tvi n ASP 111 N -0.92 7.52 -3.53 9.48 8.00 -1.26 -4.66 116.55 131.18 1tvi n ASP 111 Ca -0.01 -2.62 -0.34 0.00 0.71 0.00 0.00 54.79 52.52 1tvi n ASP 111 Cb 0.22 -1.57 0.03 0.00 -0.02 0.00 0.00 41.12 39.78 1tvi n ASP 111 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1tvi n HIS 112 N 4.20 -2.41 -2.16 1.24 8.25 -1.26 -4.32 115.22 118.76 1tvi n HIS 112 Ca 0.72 1.01 0.00 0.00 -0.26 0.00 0.00 57.72 59.18 1tvi n HIS 112 Cb 0.26 -1.96 0.00 0.00 1.12 0.00 0.00 29.99 29.42 1tvi n HIS 112 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1tvi n GLU 113 N -0.87 -5.61 0.00 -0.41 4.71 -1.26 -5.02 120.64 112.18 1tvi n GLU 113 Ca -0.15 3.97 0.00 0.00 -0.01 0.00 0.00 57.16 60.96 1tvi n GLU 113 Cb 0.67 -4.40 0.00 0.00 -1.01 0.00 0.00 31.44 26.70 1tvi n GLU 113 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1tvi n PHE 114 N 1.97 0.00 -2.41 -0.32 -1.74 -1.26 -5.08 117.46 108.61 1tvi n PHE 114 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.87 1tvi n PHE 114 Cb 0.00 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.01 1tvi n PHE 114 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1tvi n GLU 115 N -2.26 -0.88 0.00 3.97 1.02 -1.26 -4.33 120.64 116.90 1tvi n GLU 115 Ca 0.00 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 1tvi n GLU 115 Cb 0.41 -3.93 0.00 0.00 -0.02 0.00 0.00 31.44 27.90 1tvi n GLU 115 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1tvi n ASP 116 N -1.71 0.00 -0.29 1.62 9.92 -1.26 -4.88 116.55 119.95 1tvi n ASP 116 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1tvi n ASP 116 Cb 0.52 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.00 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 0.00 -0.03 0.04 -1.24 4.81 -1.26 -4.33 118.16 116.15 1tvi n LYS 117 Ca 0.00 0.02 -0.02 0.00 -0.87 0.00 0.00 58.31 57.45 1tvi n LYS 117 Cb 0.00 -0.04 -0.01 0.00 0.02 0.00 0.00 35.03 35.00 1tvi n LYS 117 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1tvi h ASN 118 N -0.02 -0.09 -5.71 3.14 -1.24 -1.93 -3.48 115.58 106.26 1tvi h ASN 118 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.82 1tvi h ASN 118 Cb 0.02 0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.10 1tvi h ASN 118 CO 0.00 -0.04 -0.95 -1.54 -1.29 0.00 0.00 177.43 173.61 1tvi n SER 119 N -2.41 -4.96 0.07 1.15 3.41 -1.26 -4.71 113.62 104.91 1tvi n SER 119 Ca -0.01 0.05 -0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1tvi n SER 119 Cb 0.04 -1.33 -0.08 0.00 -0.26 0.00 0.00 64.21 62.58 1tvi n SER 119 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1tvi h LYS 120 N 2.34 -0.24 -0.44 4.33 1.57 -1.95 -1.23 116.57 120.95 1tvi h LYS 120 Ca -0.29 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1tvi h LYS 120 Cb 1.05 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 1tvi h LYS 120 CO 0.11 0.18 0.18 0.93 -0.57 0.00 0.00 179.45 180.28 1tvi h GLU 121 N -0.81 0.36 0.00 3.15 3.07 -2.02 -0.45 114.58 117.87 1tvi h GLU 121 Ca -0.02 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1tvi h GLU 121 Cb 0.52 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1tvi h GLU 121 CO 0.04 0.24 -0.12 1.98 -1.40 0.00 0.00 179.01 179.75 1tvi h MET 122 N 0.37 0.00 -0.49 2.33 4.05 -1.92 -1.90 114.93 117.38 1tvi h MET 122 Ca 0.20 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.66 1tvi h MET 122 Cb 0.17 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 1tvi h MET 122 CO -0.18 0.12 0.33 0.35 0.23 0.00 0.00 176.91 177.76 1tvi h PHE 123 N 0.00 0.51 -0.37 1.39 3.04 0.20 -1.81 116.94 119.90 1tvi h PHE 123 Ca -0.00 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1tvi h PHE 123 Cb 0.23 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 1tvi h PHE 123 CO 0.00 0.30 0.23 0.93 -2.02 0.00 0.00 178.31 177.74 1tvi h GLU 124 N 0.53 0.50 -0.12 1.11 4.39 -1.22 0.20 114.58 119.98 1tvi h GLU 124 Ca 0.20 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.89 1tvi h GLU 124 Cb 0.14 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1tvi h GLU 124 CO -0.05 0.37 0.09 0.87 -1.16 0.00 0.00 179.01 179.13 1tvi h LYS 125 N 0.48 0.00 0.11 2.33 1.57 -1.42 0.66 116.57 120.31 1tvi h LYS 125 Ca 0.13 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.64 1tvi h LYS 125 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1tvi h LYS 125 CO -0.03 0.00 -1.25 0.37 -0.57 0.00 0.00 179.45 177.98 1tvi h GLN 126 N 0.00 0.23 0.00 3.15 4.15 -0.91 -3.18 115.11 118.54 1tvi h GLN 126 Ca 0.05 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1tvi h GLN 126 Cb 0.24 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1tvi h GLN 126 CO -0.00 1.17 0.00 0.87 -1.93 0.00 0.00 178.83 178.94 1tvi h LYS 127 N 0.06 0.00 0.64 1.69 1.57 0.14 -2.21 116.57 118.46 1tvi h LYS 127 Ca -0.13 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1tvi h LYS 127 Cb 1.95 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.27 1tvi h LYS 127 CO 0.19 0.00 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.54 1tvi h LYS 128 N 0.00 -0.83 -0.36 3.15 3.64 0.25 -1.73 116.57 120.69 1tvi h LYS 128 Ca 0.00 0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1tvi h LYS 128 Cb 0.83 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1tvi h LYS 128 CO 0.00 -0.54 -0.22 1.88 -2.27 0.00 0.00 179.45 178.30 1tvi h TYR 129 N -1.22 0.79 0.17 1.91 0.05 -1.63 -0.97 116.97 116.06 1tvi h TYR 129 Ca -0.09 -0.17 0.02 0.00 0.05 0.00 0.00 58.73 58.54 1tvi h TYR 129 Cb 0.67 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.18 1tvi h TYR 129 CO 0.00 0.86 -0.37 0.28 -1.05 0.00 0.00 178.16 177.88 1tvi h VAL 130 N 0.61 0.24 0.06 -2.88 2.07 -1.44 1.56 116.25 116.47 1tvi h VAL 130 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1tvi h VAL 130 Cb 0.70 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1tvi h VAL 130 CO 0.05 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 177.54 1tvi h GLU 131 N -0.63 -0.07 -0.36 1.57 4.81 -1.26 1.67 114.58 120.31 1tvi h GLU 131 Ca 0.02 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1tvi h GLU 131 Cb 0.64 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.98 1tvi h GLU 131 CO -0.18 0.05 0.01 0.93 -0.73 0.00 0.00 179.01 179.08 1tvi h GLU 132 N -0.18 0.10 -0.16 1.92 5.08 -0.86 1.04 114.58 121.51 1tvi h GLU 132 Ca -0.01 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1tvi h GLU 132 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1tvi h GLU 132 CO 0.01 0.07 -0.54 0.28 -1.00 0.00 0.00 179.01 177.83 1tvi h VAL 133 N 0.11 1.33 0.00 3.13 2.07 0.24 -1.94 116.25 121.19 1tvi h VAL 133 Ca 0.17 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1tvi h VAL 133 Cb 0.24 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1tvi h VAL 133 CO -0.28 0.55 0.00 1.87 0.02 0.00 0.00 177.57 179.73 1tvi n TRP 134 N -3.95 0.65 0.15 1.57 -0.00 0.57 -2.77 117.44 113.66 1tvi n TRP 134 Ca -0.03 0.25 0.18 0.00 -0.00 0.00 0.00 57.50 57.90 1tvi n TRP 134 Cb 0.59 -0.90 0.68 0.00 -0.00 0.00 0.00 31.31 31.69 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 2.62 0.00 0.00 5.87 0.00 0.19 1.32 103.07 113.06 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 -0.29 -2.09 0.00 0.00 0.00 176.54 174.16 1tvi h GLU 136 N 0.00 0.00 -0.05 4.80 4.81 -1.71 -3.35 114.58 119.08 1tvi h GLU 136 Ca 0.16 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1tvi h GLU 136 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1tvi h GLU 136 CO -0.00 0.00 0.19 -1.49 -0.73 0.00 0.00 179.01 176.98 1tvi h TRP 137 N -0.80 0.00 -0.27 0.92 4.06 -1.57 0.12 115.95 118.42 1tvi h TRP 137 Ca 0.00 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.03 1tvi h TRP 137 Cb 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 1tvi h TRP 137 CO -0.13 0.00 0.44 0.00 -3.56 0.00 0.00 178.44 175.19 1tvi h ARG 138 N 0.00 0.00 0.00 0.49 2.47 0.16 1.53 114.38 119.03 1tvi h ARG 138 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1tvi h ARG 138 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1tvi h ARG 138 CO -0.00 0.00 0.00 0.43 0.56 0.00 0.00 179.97 180.96 1tvi n SER 139 N -3.38 0.00 -3.28 7.04 7.64 0.43 -3.98 113.62 118.09 1tvi n SER 139 Ca 0.04 -0.59 -0.23 0.00 1.01 0.00 0.00 58.87 59.10 1tvi n SER 139 Cb 0.57 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.61 1tvi n SER 139 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1tvi s ASN 140 N -2.15 0.98 1.02 6.43 0.01 0.52 -5.14 114.94 116.61 1tvi s ASN 140 Ca 0.34 -2.72 -0.02 0.00 -0.71 0.00 0.00 52.86 49.74 1tvi s ASN 140 Cb 0.17 0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.89 1tvi s ASN 140 CO 0.31 -0.16 0.16 -0.81 -1.51 0.00 0.00 177.10 175.08 1tvi n PRO 141 N 2.99 -0.71 -3.36 -0.60 -0.04 -1.25 -4.63 135.00 127.39 1tvi n PRO 141 Ca 0.26 -0.24 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 1tvi n PRO 141 Cb 0.49 -0.19 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 0.43 -0.04 0.00 0.00 175.50 175.89 1tvi n SER 142 N -3.17 -5.57 -4.83 3.54 7.64 -1.26 -4.91 113.62 105.06 1tvi n SER 142 Ca 0.02 -0.03 -0.30 0.00 1.01 0.00 0.00 58.87 59.57 1tvi n SER 142 Cb 0.07 -1.54 0.07 0.00 -1.01 0.00 0.00 64.21 61.81 1tvi n SER 142 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1tvi s GLU 143 N -2.03 2.44 -0.78 1.43 2.56 -1.26 -4.82 118.70 116.24 1tvi s GLU 143 Ca 0.28 0.60 -0.37 0.00 0.00 0.00 0.00 54.97 55.48 1tvi s GLU 143 Cb -0.03 -1.96 -0.21 0.00 2.00 0.00 0.00 34.13 33.93 1tvi s GLU 143 CO 0.64 -1.36 2.46 -3.47 -0.56 0.00 0.00 175.26 172.96 1tvi n ASP 144 N -3.25 0.49 0.00 -1.70 -0.08 -1.26 -4.66 116.55 106.09 1tvi n ASP 144 Ca 0.07 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1tvi n ASP 144 Cb 0.56 -0.91 0.00 0.00 2.34 0.00 0.00 41.12 43.11 1tvi n ASP 144 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1tvi n SER 145 N 9.20 0.00 -3.65 1.67 2.88 -1.26 -4.86 113.62 117.60 1tvi n SER 145 Ca 0.61 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 58.13 1tvi n SER 145 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1tvi n SER 145 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1tvi s ASP 146 N 0.00 -0.34 -0.08 -3.46 1.47 -1.26 -5.00 116.67 107.99 1tvi s ASP 146 Ca 0.00 0.58 -0.22 0.00 1.18 0.00 0.00 52.55 54.08 1tvi s ASP 146 Cb 0.00 0.98 -0.18 0.00 -0.34 0.00 0.00 42.92 43.38 1tvi s ASP 146 CO 0.00 -0.09 0.83 1.55 0.68 0.00 0.00 175.17 178.14 1tvi h PRO 147 N 5.20 -0.09 0.00 2.11 0.13 -1.98 -3.48 132.00 133.89 1tvi h PRO 147 Ca -0.28 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1tvi h PRO 147 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1tvi h PRO 147 CO 0.19 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 1tvi n GLY 148 N 0.93 0.36 0.74 1.56 0.00 -1.26 -5.16 105.19 102.37 1tvi n GLY 148 Ca -0.08 0.60 0.09 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.66 -0.47 1.61 4.81 -1.26 -5.33 118.16 115.85 1tvi n LYS 149 Ca 0.00 1.30 0.00 0.00 -0.87 0.00 0.00 58.31 58.74 1tvi n LYS 149 Cb 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1tvi n LYS 149 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11