#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 1.67 -0.06 2.02 1.09 -1.26 -2.82 121.20 121.83 1tvi s ILE 2 Ca 0.00 -1.75 -0.08 0.00 -1.10 0.00 0.00 60.65 57.72 1tvi s ILE 2 Cb 0.00 -1.68 0.02 0.00 -1.06 0.00 0.00 42.46 39.74 1tvi s ILE 2 CO 0.00 -0.26 0.21 -0.60 -0.10 0.00 0.00 174.94 174.19 1tvi s ARG 3 N -2.49 0.32 0.06 2.79 6.06 0.29 -4.80 118.95 121.18 1tvi s ARG 3 Ca 0.11 0.15 0.08 0.00 -2.50 0.00 0.00 55.73 53.58 1tvi s ARG 3 Cb -0.07 0.15 -0.03 0.00 0.06 0.00 0.00 34.95 35.06 1tvi s ARG 3 CO 0.05 -0.05 -0.21 0.96 -2.50 0.00 0.00 175.30 173.55 1tvi s ILE 4 N -0.23 2.62 0.15 4.11 -0.00 -1.26 -0.17 121.20 126.42 1tvi s ILE 4 Ca -0.03 -1.32 -0.11 0.00 -0.00 0.00 0.00 60.65 59.19 1tvi s ILE 4 Cb -0.03 -2.11 0.00 0.00 -0.00 0.00 0.00 42.46 40.33 1tvi s ILE 4 CO 0.01 0.29 0.30 -1.48 -0.00 0.00 0.00 174.94 174.06 1tvi s LEU 5 N -1.55 0.91 0.00 0.37 2.34 0.51 -4.86 118.68 116.39 1tvi s LEU 5 Ca 0.14 -0.71 0.00 0.00 0.06 0.00 0.00 54.13 53.62 1tvi s LEU 5 Cb -0.10 1.34 0.00 0.00 -0.56 0.00 0.00 46.19 46.87 1tvi s LEU 5 CO 0.05 -0.87 0.00 0.61 -1.06 0.00 0.00 176.35 175.08 1tvi n GLY 6 N -0.19 0.38 3.62 -3.48 0.00 -1.26 -1.55 105.19 102.69 1tvi n GLY 6 Ca -0.10 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 0.63 0.00 1.61 -1.05 -0.77 -4.90 118.70 114.22 1tvi s GLU 7 Ca 0.00 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.38 1tvi s GLU 7 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1tvi s GLU 7 CO 0.00 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.51 1tvi n GLY 8 N 1.92 4.75 3.63 -3.83 0.00 -1.26 -3.34 105.19 107.07 1tvi n GLY 8 Ca -0.13 -0.77 -0.59 0.00 0.00 0.00 0.00 46.02 44.53 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 0.60 0.00 1.61 4.81 -1.26 -3.49 118.16 118.71 1tvi n LYS 9 Ca 0.00 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1tvi n LYS 9 Cb 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 2.99 1.32 0.27 3.14 0.00 -1.26 -4.73 105.19 106.93 1tvi n GLY 10 Ca 0.24 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 1.23 -0.65 -0.43 1.61 0.87 -1.99 0.30 113.55 114.49 1tvi h SER 11 Ca 0.00 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1tvi h SER 11 Cb 0.00 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1tvi h SER 11 CO 0.00 -0.35 0.10 0.07 -0.53 0.00 0.00 176.83 176.12 1tvi h LYS 12 N -0.50 0.69 -0.52 2.24 2.10 -1.95 -1.38 116.57 117.26 1tvi h LYS 12 Ca 0.00 -0.17 0.13 0.00 -2.00 0.00 0.00 60.65 58.62 1tvi h LYS 12 Cb 0.47 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.69 1tvi h LYS 12 CO -0.07 0.71 0.37 1.25 -2.00 0.00 0.00 179.45 179.70 1tvi h LEU 13 N 0.56 0.08 0.08 7.07 5.85 -1.86 -0.93 115.31 126.16 1tvi h LEU 13 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1tvi h LEU 13 Cb 0.33 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1tvi h LEU 13 CO 0.00 0.05 -0.04 0.25 -0.34 0.00 0.00 178.44 178.36 1tvi h LEU 14 N 0.09 -0.09 -1.88 2.25 7.12 0.42 -3.00 115.31 120.22 1tvi h LEU 14 Ca 0.25 -0.50 0.05 0.00 0.13 0.00 0.00 57.88 57.81 1tvi h LEU 14 Cb 0.86 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 1tvi h LEU 14 CO -0.02 0.52 0.43 -0.33 -0.13 0.00 0.00 178.44 178.91 1tvi h GLU 15 N -0.78 0.00 0.04 1.25 5.08 -0.17 1.04 114.58 121.03 1tvi h GLU 15 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tvi h GLU 15 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1tvi h GLU 15 CO 0.02 0.00 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.10 1tvi h ASN 16 N 0.00 -0.05 -0.85 1.42 2.35 -1.12 -3.26 115.58 114.07 1tvi h ASN 16 Ca 0.09 -0.58 -0.49 0.00 -0.55 0.00 0.00 56.30 54.77 1tvi h ASN 16 Cb 0.94 0.01 -0.27 0.00 0.05 0.00 0.00 38.32 39.06 1tvi h ASN 16 CO -0.00 0.59 0.48 0.00 -1.65 0.00 0.00 177.43 176.84 1tvi n LEU 17 N -4.81 6.34 0.00 1.61 -0.00 0.49 -4.54 117.00 116.08 1tvi n LEU 17 Ca -0.09 -3.87 -0.13 0.00 -0.00 0.00 0.00 56.01 51.93 1tvi n LEU 17 Cb 0.31 -0.80 -0.10 0.00 -0.00 0.00 0.00 43.42 42.83 1tvi n LEU 17 CO 0.31 1.25 0.59 0.50 -0.00 0.00 0.00 177.39 180.05 1tvi h LYS 18 N 1.30 -0.05 -0.47 1.47 3.64 0.91 -2.41 116.57 120.97 1tvi h LYS 18 Ca 0.53 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.89 1tvi h LYS 18 Cb 2.08 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.88 1tvi h LYS 18 CO 1.06 0.45 0.20 1.05 -2.27 0.00 0.00 179.45 179.94 1tvi h GLU 19 N -0.57 0.66 -0.80 1.90 4.11 -1.82 0.16 114.58 118.23 1tvi h GLU 19 Ca -0.00 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 1tvi h GLU 19 Cb 0.52 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1tvi h GLU 19 CO 0.01 0.54 0.50 -0.22 0.07 0.00 0.00 179.01 179.90 1tvi h LYS 20 N 0.66 1.08 0.00 1.06 1.63 -1.84 -1.13 116.57 118.03 1tvi h LYS 20 Ca 0.16 -0.09 -0.13 0.00 -0.85 0.00 0.00 60.65 59.74 1tvi h LYS 20 Cb 0.11 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 1tvi h LYS 20 CO -0.02 0.75 -0.62 -0.07 -3.45 0.00 0.00 179.45 176.05 1tvi h LEU 21 N 1.10 0.00 -1.97 5.20 3.38 -0.81 -2.85 115.31 119.36 1tvi h LEU 21 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1tvi h LEU 21 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1tvi h LEU 21 CO -0.06 0.62 0.00 -0.33 0.09 0.00 0.00 178.44 178.76 1tvi h GLU 22 N 0.00 0.00 0.03 1.13 5.08 0.49 -2.44 114.58 118.87 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 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1tvi h GLU 22 CO 0.08 0.00 -0.01 0.93 -1.00 0.00 0.00 179.01 179.01 1tvi h GLU 23 N 0.00 -0.04 -0.45 2.33 5.08 -1.09 -1.75 114.58 118.65 1tvi h GLU 23 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1tvi h GLU 23 Cb 0.33 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 1tvi h GLU 23 CO 0.00 0.57 -0.06 -0.84 -1.00 0.00 0.00 179.01 177.68 1tvi h ILE 24 N -0.96 0.60 -0.59 3.13 3.07 -1.54 0.61 117.51 121.84 1tvi h ILE 24 Ca -0.00 -0.02 -0.01 0.00 1.55 0.00 0.00 64.86 66.37 1tvi h ILE 24 Cb 0.62 0.54 -0.03 0.00 -0.27 0.00 0.00 36.82 37.68 1tvi h ILE 24 CO 0.01 0.01 0.32 -0.37 -1.05 0.00 0.00 178.15 177.06 1tvi h VAL 25 N 0.05 1.19 -0.97 0.16 -1.51 -1.56 -0.20 116.25 113.41 1tvi h VAL 25 Ca 0.22 -0.50 0.04 0.00 -1.23 0.00 0.00 66.70 65.24 1tvi h VAL 25 Cb 0.34 0.45 -0.06 0.00 -2.13 0.00 0.00 31.29 29.89 1tvi h VAL 25 CO -0.42 0.21 0.63 0.50 -1.23 0.00 0.00 177.57 177.26 1tvi h LYS 26 N 0.79 1.17 0.17 5.19 3.64 -0.03 1.54 116.57 129.04 1tvi h LYS 26 Ca 0.21 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1tvi h LYS 26 Cb 0.05 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1tvi h LYS 26 CO -0.03 0.77 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.62 1tvi h LYS 27 N 1.20 -0.22 0.93 1.90 3.64 0.91 -3.26 116.57 121.67 1tvi h LYS 27 Ca 0.40 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.75 1tvi h LYS 27 Cb 0.05 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1tvi h LYS 27 CO -0.14 -0.02 -0.45 1.49 -2.27 0.00 0.00 179.45 178.07 1tvi h GLU 28 N -0.40 -1.21 0.00 1.90 4.57 -0.46 -3.46 114.58 115.53 1tvi h GLU 28 Ca -0.02 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1tvi h GLU 28 Cb 0.31 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1tvi h GLU 28 CO 0.04 -0.80 0.00 1.51 -1.18 0.00 0.00 179.01 178.57 1tvi n ILE 29 N -5.54 0.00 -0.18 2.32 3.06 0.30 -5.07 119.36 114.26 1tvi n ILE 29 Ca -0.16 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.09 1tvi n ILE 29 Cb 0.49 -0.41 0.00 0.00 0.54 0.00 0.00 39.64 40.27 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 0.94 1.50 2.72 4.50 0.00 0.45 -4.68 105.19 110.61 1tvi n GLY 30 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 0.14 -2.27 -4.52 1.61 2.03 -1.26 -4.79 116.55 107.49 1tvi n ASP 31 Ca 0.00 -3.11 -0.26 0.00 0.52 0.00 0.00 54.79 51.94 1tvi n ASP 31 Cb 0.04 1.67 -0.10 0.00 -0.72 0.00 0.00 41.12 42.00 1tvi n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tvi s VAL 32 N 0.37 1.46 -0.19 5.18 0.11 -1.26 -4.80 120.40 121.26 1tvi s VAL 32 Ca 0.26 -2.00 -0.04 0.00 -2.93 0.00 0.00 61.98 57.26 1tvi s VAL 32 Cb 0.26 -2.77 0.06 0.00 -1.53 0.00 0.00 36.38 32.40 1tvi s VAL 32 CO -0.14 0.00 0.08 -1.00 -3.33 0.00 0.00 175.10 170.71 1tvi s HIS 33 N -3.02 0.40 -0.36 1.54 3.76 -1.25 0.15 115.29 116.52 1tvi s HIS 33 Ca 0.32 -0.50 -0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1tvi s HIS 33 Cb 0.08 -0.80 0.08 0.00 1.11 0.00 0.00 32.58 33.05 1tvi s HIS 33 CO 0.15 -0.56 0.11 0.08 -0.85 0.00 0.00 174.74 173.67 1tvi s VAL 34 N 2.07 3.28 -0.52 -0.90 1.01 -1.13 -3.68 120.40 120.53 1tvi s VAL 34 Ca 0.02 -1.64 -0.19 0.00 0.00 0.00 0.00 61.98 60.17 1tvi s VAL 34 Cb -0.16 -3.05 0.07 0.00 0.00 0.00 0.00 36.38 33.24 1tvi s VAL 34 CO -0.12 -0.39 0.61 0.20 0.00 0.00 0.00 175.10 175.41 1tvi s ASN 35 N 1.55 6.20 -0.12 3.32 0.01 -0.63 0.11 114.94 125.39 1tvi s ASN 35 Ca 0.02 -1.09 -0.19 0.00 -0.71 0.00 0.00 52.86 50.88 1tvi s ASN 35 Cb -0.21 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 1tvi s ASN 35 CO -0.02 -0.91 0.50 0.68 -1.51 0.00 0.00 177.10 175.85 1tvi s VAL 36 N 2.49 5.17 -0.41 1.60 -7.23 0.77 -0.22 120.40 122.57 1tvi s VAL 36 Ca 0.13 1.01 -0.13 0.00 -1.81 0.00 0.00 61.98 61.17 1tvi s VAL 36 Cb -0.21 -3.84 0.04 0.00 0.56 0.00 0.00 36.38 32.92 1tvi s VAL 36 CO 0.10 0.31 0.28 -0.63 -0.31 0.00 0.00 175.10 174.85 1tvi s ILE 37 N 0.68 4.96 -0.19 -0.62 1.09 0.12 -0.36 121.20 126.88 1tvi s ILE 37 Ca 0.27 -0.85 -0.28 0.00 -1.10 0.00 0.00 60.65 58.70 1tvi s ILE 37 Cb -0.15 -3.82 -0.00 0.00 -1.06 0.00 0.00 42.46 37.43 1tvi s ILE 37 CO 0.11 -0.34 0.97 -0.76 -0.10 0.00 0.00 174.94 174.82 1tvi s LEU 38 N 1.61 4.14 -0.11 2.97 1.43 -0.60 0.38 118.68 128.51 1tvi s LEU 38 Ca 0.04 1.33 -0.14 0.00 -1.03 0.00 0.00 54.13 54.33 1tvi s LEU 38 Cb -0.20 -3.44 0.03 0.00 0.03 0.00 0.00 46.19 42.61 1tvi s LEU 38 CO 0.08 -0.55 0.36 0.68 0.23 0.00 0.00 176.35 177.15 1tvi s VAL 39 N 2.70 0.01 0.08 -1.59 -7.23 -0.44 -1.85 120.40 112.09 1tvi s VAL 39 Ca 0.43 -0.12 -0.01 0.00 -1.81 0.00 0.00 61.98 60.47 1tvi s VAL 39 Cb -0.16 -0.55 0.02 0.00 0.56 0.00 0.00 36.38 36.25 1tvi s VAL 39 CO 0.10 -0.06 0.11 -1.20 -0.31 0.00 0.00 175.10 173.74 1tvi n SER 40 N 2.45 0.02 -0.02 4.85 7.64 -1.26 -3.88 113.62 123.42 1tvi n SER 40 Ca -0.15 -1.05 -0.13 0.00 1.01 0.00 0.00 58.87 58.55 1tvi n SER 40 Cb 0.57 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.60 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1tvi h GLU 41 N 0.00 0.10 -0.09 1.43 4.81 -1.94 0.38 114.58 119.27 1tvi h GLU 41 Ca -0.04 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1tvi h GLU 41 Cb 0.10 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1tvi h GLU 41 CO 0.03 0.46 -0.71 0.22 -0.73 0.00 0.00 179.01 178.27 1tvi h ASP 42 N -0.26 0.53 0.03 1.04 3.58 -1.98 0.43 116.42 119.78 1tvi h ASP 42 Ca 0.01 -0.34 -0.10 0.00 0.42 0.00 0.00 57.03 57.02 1tvi h ASP 42 Cb 0.43 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1tvi h ASP 42 CO 0.01 1.08 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.80 1tvi h GLU 43 N 0.31 0.42 0.01 0.28 5.08 -1.90 -2.83 114.58 115.95 1tvi h GLU 43 Ca -0.03 -0.17 -0.26 0.00 -1.00 0.00 0.00 59.36 57.90 1tvi h GLU 43 Cb 1.29 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1tvi h GLU 43 CO 0.13 0.69 -1.36 0.97 -1.00 0.00 0.00 179.01 178.43 1tvi h ILE 44 N 0.36 1.28 -0.67 3.13 2.10 -0.11 -2.83 117.51 120.77 1tvi h ILE 44 Ca 0.05 -3.05 0.14 0.00 1.08 0.00 0.00 64.86 63.08 1tvi h ILE 44 Cb 0.73 2.65 -0.11 0.00 -1.09 0.00 0.00 36.82 39.01 1tvi h ILE 44 CO 0.06 0.75 0.07 0.50 -1.08 0.00 0.00 178.15 178.45 1tvi h LYS 45 N 0.01 0.17 0.11 2.19 3.11 0.11 0.83 116.57 123.10 1tvi h LYS 45 Ca -0.15 -0.01 -0.20 0.00 -2.81 0.00 0.00 60.65 57.47 1tvi h LYS 45 Cb 1.90 -0.04 0.02 0.00 -1.00 0.00 0.00 32.23 33.11 1tvi h LYS 45 CO 0.11 0.11 -0.87 0.93 -2.81 0.00 0.00 179.45 176.92 1tvi h GLU 46 N 0.18 0.39 -0.38 1.90 5.08 -1.64 -2.97 114.58 117.13 1tvi h GLU 46 Ca 0.37 -0.57 0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1tvi h GLU 46 Cb 0.61 0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 1tvi h GLU 46 CO -0.53 1.24 -0.18 1.25 -1.00 0.00 0.00 179.01 179.79 1tvi h LEU 47 N -0.18 -0.63 -1.61 1.33 7.12 -1.01 0.43 115.31 120.77 1tvi h LEU 47 Ca -0.14 0.15 0.01 0.00 0.13 0.00 0.00 57.88 58.03 1tvi h LEU 47 Cb 1.64 0.34 -0.02 0.00 -0.53 0.00 0.00 40.66 42.09 1tvi h LEU 47 CO 0.17 -0.22 0.28 -1.13 -0.13 0.00 0.00 178.44 177.41 1tvi h ASN 48 N -0.12 0.46 0.32 1.25 -0.73 0.54 0.12 115.58 117.42 1tvi h ASN 48 Ca 0.19 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 1tvi h ASN 48 Cb 0.41 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.88 1tvi h ASN 48 CO -0.46 0.32 -0.12 1.56 -0.37 0.00 0.00 177.43 178.37 1tvi h GLN 49 N 0.53 0.00 0.00 6.67 4.20 -0.06 1.73 115.11 128.18 1tvi h GLN 49 Ca 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1tvi h GLN 49 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1tvi h GLN 49 CO -0.04 0.12 -0.07 1.96 -0.67 0.00 0.00 178.83 180.13 1tvi h GLN 50 N 0.00 0.00 0.00 1.46 4.20 0.87 0.24 115.11 121.88 1tvi h GLN 50 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1tvi h GLN 50 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1tvi h GLN 50 CO 0.02 0.07 -1.26 1.19 -0.67 0.00 0.00 178.83 178.18 1tvi n PHE 51 N -3.42 0.00 0.11 2.96 3.72 -0.38 -4.71 117.46 115.75 1tvi n PHE 51 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.37 1tvi n PHE 51 Cb 0.22 -0.17 0.23 0.00 -0.94 0.00 0.00 39.48 38.82 1tvi n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tvi h ARG 52 N -0.17 0.16 0.00 -1.08 2.47 0.24 -3.46 114.38 112.55 1tvi h ARG 52 Ca -0.12 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1tvi h ARG 52 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1tvi h ARG 52 CO -0.07 0.59 0.00 0.41 0.56 0.00 0.00 179.97 181.46 1tvi n GLY 53 N -0.12 1.05 3.31 0.04 0.00 0.83 -4.96 105.19 105.35 1tvi n GLY 53 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.10 1.35 -0.66 1.61 -2.07 -1.26 -4.96 119.66 113.58 1tvi s GLN 54 Ca 0.00 -1.71 -0.23 0.00 -1.82 0.00 0.00 55.36 51.60 1tvi s GLN 54 Cb 0.00 -0.38 0.06 0.00 -1.09 0.00 0.00 33.01 31.60 1tvi s GLN 54 CO 0.00 -0.21 1.01 0.34 -1.32 0.00 0.00 175.29 175.11 1tvi s ASP 55 N -3.29 6.19 -0.25 12.60 2.15 -1.26 -3.79 116.67 129.02 1tvi s ASP 55 Ca 0.33 -0.81 -0.03 0.00 0.43 0.00 0.00 52.55 52.46 1tvi s ASP 55 Cb 0.07 -2.44 0.10 0.00 -0.30 0.00 0.00 42.92 40.35 1tvi s ASP 55 CO 0.11 -1.47 0.19 -0.13 -0.17 0.00 0.00 175.17 173.69 1tvi s ARG 56 N 4.30 0.20 0.89 4.34 1.81 -1.26 -5.12 118.95 124.12 1tvi s ARG 56 Ca 0.25 -0.18 -0.12 0.00 -1.72 0.00 0.00 55.73 53.96 1tvi s ARG 56 Cb -0.15 -1.16 0.13 0.00 -0.45 0.00 0.00 34.95 33.32 1tvi s ARG 56 CO 0.12 -0.87 1.13 -1.25 -0.68 0.00 0.00 175.30 173.75 1tvi s PRO 57 N 2.23 1.31 0.07 3.54 0.04 -1.26 -4.88 135.00 136.06 1tvi s PRO 57 Ca 0.07 0.35 -0.27 0.00 0.04 0.00 0.00 61.00 61.20 1tvi s PRO 57 Cb -0.15 -1.85 0.08 0.00 0.04 0.00 0.00 34.50 32.62 1tvi s PRO 57 CO -0.25 -2.09 0.90 -0.08 0.04 0.00 0.00 177.00 175.51 1tvi s THR 58 N -3.26 0.00 0.05 1.26 -1.32 -1.26 -5.05 115.64 106.06 1tvi s THR 58 Ca 0.63 -0.29 -0.23 0.00 -1.21 0.00 0.00 61.69 60.60 1tvi s THR 58 Cb -0.15 -1.42 -0.14 0.00 -1.51 0.00 0.00 72.50 69.28 1tvi s THR 58 CO 0.53 0.00 1.53 0.44 -2.21 0.00 0.00 174.62 174.92 1tvi h ASP 59 N 2.00 0.12 -3.72 8.08 5.19 -1.95 -3.45 116.42 122.68 1tvi h ASP 59 Ca -0.24 -0.24 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 1tvi h ASP 59 Cb 1.24 -0.03 -0.23 0.00 0.18 0.00 0.00 39.33 40.49 1tvi h ASP 59 CO 0.29 0.33 -0.07 0.54 -3.12 0.00 0.00 179.24 177.21 1tvi s VAL 60 N -5.25 -0.00 -0.19 -1.35 0.11 -1.26 -3.61 120.40 108.84 1tvi s VAL 60 Ca -0.14 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 1tvi s VAL 60 Cb 0.05 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 34.05 1tvi s VAL 60 CO 0.69 0.00 0.26 -0.76 -3.33 0.00 0.00 175.10 171.96 1tvi s LEU 61 N 0.63 4.19 0.03 2.54 1.02 0.11 -5.01 118.68 122.19 1tvi s LEU 61 Ca -0.03 0.38 0.08 0.00 0.02 0.00 0.00 54.13 54.58 1tvi s LEU 61 Cb -0.05 -2.30 -0.03 0.00 0.02 0.00 0.00 46.19 43.83 1tvi s LEU 61 CO -0.04 0.07 -0.21 0.28 0.02 0.00 0.00 176.35 176.47 1tvi s THR 62 N 0.75 2.55 0.51 5.49 -1.32 -1.26 0.27 115.64 122.63 1tvi s THR 62 Ca 0.14 -1.21 -0.18 0.00 -1.21 0.00 0.00 61.69 59.23 1tvi s THR 62 Cb -0.13 -2.03 -0.08 0.00 -1.51 0.00 0.00 72.50 68.75 1tvi s THR 62 CO 0.04 0.38 1.00 -0.36 -2.21 0.00 0.00 174.62 173.47 1tvi s PHE 63 N -0.85 3.26 -0.47 9.09 0.40 -1.25 -4.96 117.98 123.20 1tvi s PHE 63 Ca 0.13 1.52 -0.28 0.00 -0.60 0.00 0.00 56.93 57.70 1tvi s PHE 63 Cb -0.10 -2.89 0.01 0.00 0.51 0.00 0.00 43.02 40.55 1tvi s PHE 63 CO 0.03 -0.54 1.44 -1.25 0.70 0.00 0.00 175.22 175.61 1tvi s PRO 64 N -3.75 3.43 -0.45 0.24 0.04 -1.26 -4.86 135.00 128.39 1tvi s PRO 64 Ca 0.62 0.77 0.07 0.00 0.04 0.00 0.00 61.00 62.50 1tvi s PRO 64 Cb -0.12 -4.08 0.25 0.00 0.04 0.00 0.00 34.50 30.59 1tvi s PRO 64 CO 0.27 -1.76 0.77 1.28 0.04 0.00 0.00 177.00 177.60 1tvi n LEU 65 N 9.30 -1.79 -2.84 -3.56 4.77 -1.26 -5.02 117.00 116.60 1tvi n LEU 65 Ca 0.15 -3.82 -0.19 0.00 -0.03 0.00 0.00 56.01 52.13 1tvi n LEU 65 Cb 0.49 0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 42.30 1tvi n LEU 65 CO 0.71 2.03 2.06 0.80 -1.33 0.00 0.00 177.39 181.66 1tvi n MET 66 N 1.50 1.95 -4.49 3.23 1.56 -1.26 -4.64 117.12 114.97 1tvi n MET 66 Ca 0.13 -1.24 -0.25 0.00 -0.27 0.00 0.00 57.70 56.07 1tvi n MET 66 Cb 0.60 -2.26 -0.08 0.00 2.15 0.00 0.00 33.22 33.63 1tvi n MET 66 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1tvi s GLU 67 N 2.71 1.92 -0.26 2.12 2.02 -1.26 -5.03 118.70 120.93 1tvi s GLU 67 Ca 0.43 -2.17 -0.00 0.00 0.02 0.00 0.00 54.97 53.25 1tvi s GLU 67 Cb 0.14 -0.48 0.19 0.00 0.10 0.00 0.00 34.13 34.08 1tvi s GLU 67 CO -0.02 -0.51 1.93 0.39 0.02 0.00 0.00 175.26 177.06 1tvi n GLU 68 N -0.88 1.66 0.00 1.61 1.02 -1.26 -4.56 120.64 118.23 1tvi n GLU 68 Ca -0.04 -1.32 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 1tvi n GLU 68 Cb 0.65 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1tvi n GLU 68 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1tvi n ASP 69 N 0.42 0.00 -0.11 1.62 2.03 -1.24 -4.67 116.55 114.61 1tvi n ASP 69 Ca 0.25 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.43 1tvi n ASP 69 Cb 0.62 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.99 1tvi n ASP 69 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1tvi h VAL 70 N 0.00 1.28 -4.56 5.18 -1.51 -1.80 -3.46 116.25 111.38 1tvi h VAL 70 Ca 0.00 -1.54 -0.03 0.00 -1.23 0.00 0.00 66.70 63.90 1tvi h VAL 70 Cb 0.00 1.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.60 1tvi h VAL 70 CO 0.00 0.51 -0.04 0.00 -1.23 0.00 0.00 177.57 176.80 1tvi n TYR 71 N -4.12 -1.68 0.00 5.19 9.36 -1.26 -4.74 117.16 119.90 1tvi n TYR 71 Ca -0.03 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1tvi n TYR 71 Cb 0.53 -0.90 0.00 0.00 -0.63 0.00 0.00 39.34 38.34 1tvi n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1tvi n GLY 72 N -0.46 1.64 3.08 2.98 0.00 -1.24 -4.77 105.19 106.42 1tvi n GLY 72 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 3.42 0.50 -0.03 1.61 1.03 -1.26 -1.60 118.70 122.38 1tvi s GLU 73 Ca 0.00 -0.68 0.00 0.00 0.03 0.00 0.00 54.97 54.32 1tvi s GLU 73 Cb 0.00 0.20 0.03 0.00 -0.80 0.00 0.00 34.13 33.55 1tvi s GLU 73 CO 0.00 -0.12 0.00 0.96 -1.33 0.00 0.00 175.26 174.78 1tvi s ILE 74 N -2.19 0.17 -0.26 1.83 -4.36 0.70 -3.76 121.20 113.32 1tvi s ILE 74 Ca -0.09 0.09 -0.24 0.00 -0.26 0.00 0.00 60.65 60.16 1tvi s ILE 74 Cb -0.04 -0.27 -0.00 0.00 1.25 0.00 0.00 42.46 43.40 1tvi s ILE 74 CO -0.03 0.14 0.82 -0.31 0.24 0.00 0.00 174.94 175.80 1tvi s TYR 75 N 1.05 3.28 0.11 1.37 1.51 0.14 0.14 117.35 124.95 1tvi s TYR 75 Ca -0.09 1.04 0.05 0.00 -1.01 0.00 0.00 57.07 57.05 1tvi s TYR 75 Cb -0.13 -3.10 -0.04 0.00 -0.11 0.00 0.00 41.96 38.57 1tvi s TYR 75 CO -0.02 -0.45 0.06 0.08 -1.11 0.00 0.00 175.55 174.11 1tvi s VAL 76 N 2.88 4.27 -0.34 0.71 1.01 0.16 0.05 120.40 129.14 1tvi s VAL 76 Ca 0.34 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1tvi s VAL 76 Cb -0.15 -3.09 0.15 0.00 0.00 0.00 0.00 36.38 33.29 1tvi s VAL 76 CO 0.09 0.04 0.38 0.00 0.00 0.00 0.00 175.10 175.60 1tvi n PRO 78 N 4.63 0.75 0.17 0.00 -0.04 -1.26 -3.08 135.00 136.17 1tvi n PRO 78 Ca 0.07 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1tvi n PRO 78 Cb 0.47 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.42 -0.05 1.53 5.85 -1.90 -1.04 115.31 119.27 1tvi h LEU 79 Ca 0.00 -0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.42 1tvi h LEU 79 Cb 0.00 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.15 1tvi h LEU 79 CO 0.00 0.02 -0.72 0.40 -0.34 0.00 0.00 178.44 177.80 1tvi h ILE 80 N -1.02 1.35 -0.03 4.05 5.03 -1.86 -2.30 117.51 122.73 1tvi h ILE 80 Ca -0.05 -2.03 0.03 0.00 -0.12 0.00 0.00 64.86 62.69 1tvi h ILE 80 Cb 0.51 2.33 -0.05 0.00 -3.03 0.00 0.00 36.82 36.57 1tvi h ILE 80 CO 0.08 0.62 -0.36 0.58 -0.68 0.00 0.00 178.15 178.39 1tvi h VAL 81 N 0.19 0.24 -0.75 1.67 2.07 -1.66 -0.14 116.25 117.87 1tvi h VAL 81 Ca -0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1tvi h VAL 81 Cb 1.38 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1tvi h VAL 81 CO 0.14 0.00 0.50 -0.08 0.02 0.00 0.00 177.57 178.15 1tvi h GLU 82 N -0.49 0.90 -0.84 1.57 4.81 -1.25 -0.68 114.58 118.59 1tvi h GLU 82 Ca 0.06 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1tvi h GLU 82 Cb 0.59 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 1tvi h GLU 82 CO -0.30 0.60 0.55 1.49 -0.73 0.00 0.00 179.01 180.61 1tvi h GLU 83 N 0.93 0.64 0.02 1.92 4.57 -0.46 0.67 114.58 122.87 1tvi h GLU 83 Ca 0.30 -0.04 -0.27 0.00 -1.18 0.00 0.00 59.36 58.17 1tvi h GLU 83 Cb 0.04 -0.14 0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1tvi h GLU 83 CO -0.08 0.42 -1.09 -0.91 -1.18 0.00 0.00 179.01 176.17 1tvi h ASN 84 N 0.66 0.91 0.42 1.04 2.35 -0.05 -3.05 115.58 117.86 1tvi h ASN 84 Ca 0.41 -0.75 -0.03 0.00 -0.55 0.00 0.00 56.30 55.38 1tvi h ASN 84 Cb 0.66 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1tvi h ASN 84 CO -0.17 1.55 -0.16 0.00 -1.65 0.00 0.00 177.43 177.00 1tvi h ALA 85 N 0.38 1.29 0.35 -0.83 0.00 -0.13 0.55 119.26 120.87 1tvi h ALA 85 Ca -0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1tvi h ALA 85 Cb 1.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1tvi h ALA 85 CO 0.21 0.20 -0.17 0.00 0.00 0.00 0.00 179.25 179.50 1tvi h ARG 86 N 0.00 -0.46 -0.03 0.00 3.08 0.36 1.77 114.38 119.11 1tvi h ARG 86 Ca -0.00 0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.84 1tvi h ARG 86 Cb 0.42 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.58 1tvi h ARG 86 CO 0.02 -0.18 -0.96 1.05 -1.07 0.00 0.00 179.97 178.84 1tvi h GLU 87 N -0.70 0.60 -0.30 0.04 4.11 -1.46 -3.05 114.58 113.82 1tvi h GLU 87 Ca -0.05 -0.61 0.00 0.00 0.07 0.00 0.00 59.36 58.77 1tvi h GLU 87 Cb 0.49 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1tvi h GLU 87 CO 0.08 1.22 0.00 0.34 0.07 0.00 0.00 179.01 180.72 1tvi n PHE 88 N -3.83 0.40 -2.60 2.06 -0.00 0.19 -4.88 117.46 108.82 1tvi n PHE 88 Ca -0.09 -0.20 -0.05 0.00 -0.00 0.00 0.00 57.45 57.11 1tvi n PHE 88 Cb 0.84 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 40.31 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 0.44 -1.02 -4.81 -2.13 4.05 0.57 -4.82 115.26 107.53 1tvi n ASN 89 Ca 0.12 0.26 -0.32 0.00 0.45 0.00 0.00 54.58 55.09 1tvi n ASN 89 Cb 0.28 -1.00 0.02 0.00 1.23 0.00 0.00 39.78 40.32 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 -2.01 5.78 -0.69 1.20 2.47 0.81 -4.92 114.94 117.58 1tvi s ASN 90 Ca 0.10 1.72 -0.26 0.00 0.42 0.00 0.00 52.86 54.84 1tvi s ASN 90 Cb -0.06 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 1tvi s ASN 90 CO 0.12 -1.17 1.92 0.28 -3.72 0.00 0.00 177.10 174.53 1tvi s THR 91 N -2.66 3.35 0.37 -5.21 -1.32 -1.26 -4.66 115.64 104.25 1tvi s THR 91 Ca 0.61 0.03 0.10 0.00 -1.21 0.00 0.00 61.69 61.23 1tvi s THR 91 Cb -0.15 -3.89 0.33 0.00 -1.51 0.00 0.00 72.50 67.28 1tvi s THR 91 CO 0.42 -0.86 1.86 0.15 -2.21 0.00 0.00 174.62 173.98 1tvi h PHE 92 N 14.15 0.77 -0.64 9.09 3.57 -1.91 0.37 116.94 142.34 1tvi h PHE 92 Ca -0.16 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.29 1tvi h PHE 92 Cb 1.12 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1tvi h PHE 92 CO 1.09 0.27 0.10 1.05 -2.23 0.00 0.00 178.31 178.59 1tvi h GLU 93 N 0.64 1.07 -0.13 1.11 4.11 -1.90 -0.92 114.58 118.54 1tvi h GLU 93 Ca 0.45 -0.29 -0.16 0.00 0.07 0.00 0.00 59.36 59.44 1tvi h GLU 93 Cb 0.80 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1tvi h GLU 93 CO -0.21 0.99 -0.58 -0.22 0.07 0.00 0.00 179.01 179.06 1tvi h LYS 94 N 0.98 0.43 -0.24 1.06 3.11 -1.26 0.70 116.57 121.35 1tvi h LYS 94 Ca 0.19 -0.29 -0.01 0.00 -2.81 0.00 0.00 60.65 57.74 1tvi h LYS 94 Cb 0.44 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 1tvi h LYS 94 CO 0.01 0.89 0.13 1.49 -2.81 0.00 0.00 179.45 179.16 1tvi h GLU 95 N 0.32 0.35 -0.01 1.90 4.81 -0.01 -1.85 114.58 120.09 1tvi h GLU 95 Ca -0.00 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1tvi h GLU 95 Cb 1.11 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1tvi h GLU 95 CO 0.10 0.33 -0.65 1.25 -0.73 0.00 0.00 179.01 179.32 1tvi h LEU 96 N 0.27 0.06 -2.17 1.64 6.46 -1.13 -2.69 115.31 117.77 1tvi h LEU 96 Ca 0.09 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1tvi h LEU 96 Cb 0.10 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1tvi h LEU 96 CO -0.01 0.70 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.41 1tvi h LEU 97 N 0.04 0.00 0.39 2.25 4.07 -0.37 -0.88 115.31 120.81 1tvi h LEU 97 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1tvi h LEU 97 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1tvi h LEU 97 CO 0.09 0.02 -0.19 -0.33 -1.08 0.00 0.00 178.44 176.95 1tvi h GLU 98 N 0.00 -0.51 -0.11 1.13 5.08 -1.00 -1.26 114.58 117.92 1tvi h GLU 98 Ca -0.00 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1tvi h GLU 98 Cb 0.04 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1tvi h GLU 98 CO 0.00 -0.24 0.20 -0.39 -1.00 0.00 0.00 179.01 177.59 1tvi h VAL 99 N -1.05 0.25 0.27 3.13 -1.51 -1.47 1.90 116.25 117.77 1tvi h VAL 99 Ca -0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.40 1tvi h VAL 99 Cb 0.51 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1tvi h VAL 99 CO 0.09 0.00 -0.13 0.58 -1.23 0.00 0.00 177.57 176.88 1tvi h VAL 100 N 0.00 0.26 0.00 7.19 2.07 -1.03 -3.23 116.25 121.51 1tvi h VAL 100 Ca 0.05 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1tvi h VAL 100 Cb 0.46 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 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 -1.04 0.00 -0.94 4.57 3.07 -0.24 -2.97 117.51 119.96 1tvi h ILE 101 Ca -0.04 -0.38 0.27 0.00 1.55 0.00 0.00 64.86 66.26 1tvi h ILE 101 Cb 0.39 1.23 -0.04 0.00 -0.27 0.00 0.00 36.82 38.13 1tvi h ILE 101 CO 0.06 0.00 0.67 -0.74 -1.05 0.00 0.00 178.15 177.09 1tvi h HIS 102 N 0.00 0.08 0.00 0.16 2.76 0.29 2.26 115.15 120.70 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 0.50 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 1tvi h HIS 102 CO 0.00 0.01 -0.10 0.78 -1.30 0.00 0.00 177.93 177.33 1tvi h GLY 103 N 0.05 0.00 0.69 5.26 0.00 -1.65 -2.83 103.07 104.59 1tvi h GLY 103 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1tvi h GLY 103 CO -0.03 0.00 -0.14 -2.22 0.00 0.00 0.00 176.54 174.14 1tvi h ILE 104 N -1.00 0.72 -0.69 2.60 2.04 -1.26 -2.90 117.51 117.02 1tvi h ILE 104 Ca -0.03 -0.56 0.15 0.00 1.00 0.00 0.00 64.86 65.42 1tvi h ILE 104 Cb 0.97 1.01 -0.11 0.00 -0.74 0.00 0.00 36.82 37.95 1tvi h ILE 104 CO -0.02 0.11 0.05 0.17 0.00 0.00 0.00 178.15 178.46 1tvi h LEU 105 N -0.72 -0.22 -1.99 1.44 8.10 0.35 1.43 115.31 123.70 1tvi h LEU 105 Ca -0.04 0.17 0.17 0.00 0.11 0.00 0.00 57.88 58.29 1tvi h LEU 105 Cb 0.49 0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.96 1tvi h LEU 105 CO 0.07 -0.12 0.49 0.45 -4.11 0.00 0.00 178.44 175.22 1tvi h HIS 106 N 0.15 0.00 0.00 0.17 3.86 -1.39 0.75 115.15 118.69 1tvi h HIS 106 Ca 0.38 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.37 1tvi h HIS 106 Cb 0.64 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.07 1tvi h HIS 106 CO -0.36 0.00 -1.42 1.25 0.86 0.00 0.00 177.93 178.26 1tvi h LEU 107 N 0.00 0.00 -1.91 2.43 5.85 0.19 -3.28 115.31 118.59 1tvi h LEU 107 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1tvi h LEU 107 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1tvi h LEU 107 CO -0.00 0.80 0.08 0.00 -0.34 0.00 0.00 178.44 178.98 1tvi h ALA 108 N 1.20 1.07 -0.00 1.25 0.00 0.47 -3.42 119.26 119.82 1tvi h ALA 108 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1tvi h ALA 108 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1tvi h ALA 108 CO 0.07 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1tvi n GLY 109 N -1.22 -0.63 3.78 0.00 0.00 -1.03 -5.07 105.19 101.03 1tvi n GLY 109 Ca -0.02 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1tvi n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tvi s TYR 110 N -0.46 1.19 -0.55 1.61 2.02 -1.26 -4.95 117.35 114.94 1tvi s TYR 110 Ca 0.00 0.43 0.24 0.00 -0.37 0.00 0.00 57.07 57.37 1tvi s TYR 110 Cb 0.00 -3.78 0.50 0.00 -0.40 0.00 0.00 41.96 38.27 1tvi s TYR 110 CO 0.00 -3.15 1.61 0.22 -1.57 0.00 0.00 175.55 172.66 1tvi h ASP 111 N -2.03 0.00 0.00 2.29 1.82 -1.99 -3.45 116.42 113.06 1tvi h ASP 111 Ca -0.45 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1tvi h ASP 111 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1tvi h ASP 111 CO 0.38 0.01 0.00 1.41 -1.61 0.00 0.00 179.24 179.43 1tvi n HIS 112 N -2.67 -1.95 0.00 0.28 8.25 -1.26 -5.02 115.22 112.85 1tvi n HIS 112 Ca 0.04 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1tvi n HIS 112 Cb 0.49 0.89 0.00 0.00 1.12 0.00 0.00 29.99 32.48 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 -2.61 0.00 -4.23 -0.41 1.02 -1.26 -5.04 120.64 108.11 1tvi n GLU 113 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1tvi n GLU 113 Cb 0.00 -0.08 -0.04 0.00 -0.02 0.00 0.00 31.44 31.30 1tvi n GLU 113 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tvi n PHE 114 N -1.95 -1.56 -2.62 -0.32 3.72 -1.26 -4.84 117.46 108.63 1tvi n PHE 114 Ca 0.00 0.74 -0.08 0.00 -0.05 0.00 0.00 57.45 58.06 1tvi n PHE 114 Cb 0.00 -2.94 0.04 0.00 -0.94 0.00 0.00 39.48 35.64 1tvi n PHE 114 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1tvi n GLU 115 N -4.37 2.11 -0.85 -1.08 -0.58 -1.26 -4.74 120.64 109.86 1tvi n GLU 115 Ca -0.07 -3.66 -0.05 0.00 -0.42 0.00 0.00 57.16 52.96 1tvi n GLU 115 Cb 0.56 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.67 1tvi n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1tvi n ASP 116 N -0.51 -0.72 -3.62 1.62 8.00 -1.26 -5.12 116.55 114.94 1tvi n ASP 116 Ca 0.17 -1.68 -0.15 0.00 0.71 0.00 0.00 54.79 53.83 1tvi n ASP 116 Cb 0.83 0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 42.07 1tvi n ASP 116 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1tvi s LYS 117 N 0.00 0.85 0.06 -1.24 2.47 -1.26 -5.07 119.74 115.55 1tvi s LYS 117 Ca 0.00 0.57 -0.13 0.00 -1.56 0.00 0.00 55.97 54.84 1tvi s LYS 117 Cb 0.00 0.40 -0.04 0.00 -1.46 0.00 0.00 37.83 36.74 1tvi s LYS 117 CO 0.00 -0.18 1.23 -0.97 0.16 0.00 0.00 175.35 175.58 1tvi h ASN 118 N 4.28 -0.85 0.00 1.43 -0.73 -2.00 -3.44 115.58 114.27 1tvi h ASN 118 Ca -0.28 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.01 1tvi h ASN 118 Cb 1.16 0.36 0.00 0.00 0.27 0.00 0.00 38.32 40.11 1tvi h ASN 118 CO 0.23 -0.13 0.00 -1.20 -0.37 0.00 0.00 177.43 175.96 1tvi n SER 119 N -3.88 0.00 -0.07 1.15 7.64 -1.26 -5.05 113.62 112.16 1tvi n SER 119 Ca -0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1tvi n SER 119 Cb 0.12 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1tvi n SER 119 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1tvi h LYS 120 N 0.00 0.00 0.02 1.43 1.79 -2.00 -3.17 116.57 114.64 1tvi h LYS 120 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1tvi h LYS 120 Cb 0.00 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1tvi h LYS 120 CO 0.00 0.49 -0.25 0.93 -1.08 0.00 0.00 179.45 179.54 1tvi h GLU 121 N -1.00 0.13 -0.96 3.15 4.39 -1.97 -3.25 114.58 115.06 1tvi h GLU 121 Ca -0.04 -0.17 0.26 0.00 0.34 0.00 0.00 59.36 59.75 1tvi h GLU 121 Cb 0.58 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.23 1tvi h GLU 121 CO -0.02 0.97 0.67 1.98 -1.16 0.00 0.00 179.01 181.45 1tvi h MET 122 N -0.63 0.16 -0.74 2.33 4.05 -1.97 0.35 114.93 118.47 1tvi h MET 122 Ca -0.04 -0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.51 1tvi h MET 122 Cb 1.07 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.79 1tvi h MET 122 CO 0.05 0.11 0.50 0.35 0.23 0.00 0.00 176.91 178.14 1tvi h PHE 123 N 0.16 0.52 0.69 1.39 3.57 -1.58 0.18 116.94 121.88 1tvi h PHE 123 Ca 0.48 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.97 1tvi h PHE 123 Cb 1.63 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.20 1tvi h PHE 123 CO -0.00 0.21 -0.38 0.93 -2.23 0.00 0.00 178.31 176.84 1tvi h GLU 124 N 0.46 -0.95 -0.40 1.11 5.08 -0.45 1.47 114.58 120.90 1tvi h GLU 124 Ca 0.36 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.81 1tvi h GLU 124 Cb 0.76 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1tvi h GLU 124 CO -0.12 -0.63 0.27 0.87 -1.00 0.00 0.00 179.01 178.39 1tvi h LYS 125 N -0.99 0.44 -0.32 2.33 1.79 -1.53 0.37 116.57 118.66 1tvi h LYS 125 Ca -0.09 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.20 1tvi h LYS 125 Cb 0.77 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1tvi h LYS 125 CO 0.13 0.29 -0.40 0.37 -1.08 0.00 0.00 179.45 178.75 1tvi h GLN 126 N 0.45 0.77 0.00 3.15 4.15 -0.25 -2.55 115.11 120.82 1tvi h GLN 126 Ca 0.16 -0.40 -0.03 0.00 0.77 0.00 0.00 58.65 59.15 1tvi h GLN 126 Cb 0.08 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1tvi h GLN 126 CO -0.04 1.03 -0.12 0.87 -1.93 0.00 0.00 178.83 178.64 1tvi h LYS 127 N 0.63 0.00 0.58 1.69 1.57 0.36 -1.49 116.57 119.90 1tvi h LYS 127 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1tvi h LYS 127 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1tvi h LYS 127 CO 0.09 0.12 -0.38 -0.22 -0.57 0.00 0.00 179.45 178.49 1tvi h LYS 128 N 0.00 -0.88 -0.13 3.15 3.11 -0.56 0.28 116.57 121.53 1tvi h LYS 128 Ca -0.00 0.06 -0.19 0.00 -2.81 0.00 0.00 60.65 57.70 1tvi h LYS 128 Cb 0.69 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1tvi h LYS 128 CO 0.02 -0.59 -0.71 1.88 -2.81 0.00 0.00 179.45 177.23 1tvi h TYR 129 N -0.92 0.79 -0.95 1.91 0.05 -1.56 -3.05 116.97 113.24 1tvi h TYR 129 Ca -0.07 -0.33 0.08 0.00 0.05 0.00 0.00 58.73 58.46 1tvi h TYR 129 Cb 0.76 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 38.30 1tvi h TYR 129 CO -0.12 1.12 0.60 0.28 -1.05 0.00 0.00 178.16 178.98 1tvi h VAL 130 N 0.41 1.01 0.19 -2.88 2.07 -1.13 0.21 116.25 116.14 1tvi h VAL 130 Ca -0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1tvi h VAL 130 Cb 1.30 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1tvi h VAL 130 CO 0.13 0.19 -0.09 -0.33 0.02 0.00 0.00 177.57 177.49 1tvi h GLU 131 N 1.04 -0.25 0.20 1.57 4.39 -0.37 1.84 114.58 122.99 1tvi h GLU 131 Ca 0.43 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.15 1tvi h GLU 131 Cb 0.27 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1tvi h GLU 131 CO -0.21 -0.12 -0.20 0.93 -1.16 0.00 0.00 179.01 178.25 1tvi h GLU 132 N -0.31 -0.42 -0.54 2.33 5.08 -1.26 0.67 114.58 120.14 1tvi h GLU 132 Ca -0.03 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1tvi h GLU 132 Cb 0.24 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1tvi h GLU 132 CO 0.04 -0.28 0.23 0.28 -1.00 0.00 0.00 179.01 178.29 1tvi h VAL 133 N -0.43 1.21 0.00 3.13 2.07 -0.53 0.72 116.25 122.42 1tvi h VAL 133 Ca -0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1tvi h VAL 133 Cb 0.40 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1tvi h VAL 133 CO -0.05 0.24 0.00 1.87 0.02 0.00 0.00 177.57 179.66 1tvi n TRP 134 N -4.55 0.48 -0.23 1.57 -0.00 0.62 -2.41 117.44 112.93 1tvi n TRP 134 Ca 0.02 0.21 0.26 0.00 -0.00 0.00 0.00 57.50 57.99 1tvi n TRP 134 Cb 0.14 -0.83 0.64 0.00 -0.00 0.00 0.00 31.31 31.26 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 1.60 0.40 0.00 5.87 0.00 0.28 1.76 103.07 112.99 1tvi h GLY 135 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1tvi h GLY 135 CO 0.00 -0.02 -0.41 -2.09 0.00 0.00 0.00 176.54 174.02 1tvi h GLU 136 N 0.16 0.00 -0.08 4.80 4.81 -1.62 -3.34 114.58 119.31 1tvi h GLU 136 Ca 0.47 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.72 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 -0.09 0.05 0.31 -1.49 -0.73 0.00 0.00 179.01 177.06 1tvi h TRP 137 N -1.00 0.00 -0.65 0.92 4.06 -1.59 0.31 115.95 118.00 1tvi h TRP 137 Ca -0.01 0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.08 1tvi h TRP 137 Cb 0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.54 1tvi h TRP 137 CO -0.15 0.00 0.45 0.00 -3.56 0.00 0.00 178.44 175.18 1tvi h ARG 138 N 0.00 0.23 0.00 0.49 2.47 0.26 1.03 114.38 118.85 1tvi h ARG 138 Ca 0.04 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1tvi h ARG 138 Cb 0.66 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1tvi h ARG 138 CO -0.00 0.15 0.00 0.43 0.56 0.00 0.00 179.97 181.11 1tvi n SER 139 N -4.43 0.00 -3.11 7.04 7.64 0.11 -3.54 113.62 117.32 1tvi n SER 139 Ca 0.12 0.40 -0.21 0.00 1.01 0.00 0.00 58.87 60.19 1tvi n SER 139 Cb 0.56 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.45 -0.34 0.00 6.43 0.23 0.36 -5.04 115.26 115.44 1tvi n ASN 140 Ca 0.05 -2.82 0.00 0.00 -0.53 0.00 0.00 54.58 51.28 1tvi n ASN 140 Cb 0.18 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 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 1.40 0.00 -1.22 -0.53 -0.04 -1.12 -4.87 135.00 128.63 1tvi n PRO 141 Ca 0.19 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 1tvi n PRO 141 Cb 0.55 -0.12 -0.02 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.00 -1.21 -1.42 3.54 2.88 -1.26 -4.82 113.62 111.33 1tvi n SER 142 Ca 0.00 0.97 0.09 0.00 -1.33 0.00 0.00 58.87 58.60 1tvi n SER 142 Cb 0.00 -0.83 0.32 0.00 -0.75 0.00 0.00 64.21 62.95 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 0.90 3.28 -4.11 -1.46 -0.58 -1.26 -4.92 120.64 112.48 1tvi n GLU 143 Ca 0.15 -2.55 -0.10 0.00 -0.42 0.00 0.00 57.16 54.24 1tvi n GLU 143 Cb 0.23 -1.77 -0.09 0.00 -0.57 0.00 0.00 31.44 29.24 1tvi n GLU 143 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1tvi s ASP 144 N -0.88 0.14 0.06 1.62 -4.77 -1.26 -5.16 116.67 106.41 1tvi s ASP 144 Ca 0.46 -1.18 0.01 0.00 -3.30 0.00 0.00 52.55 48.54 1tvi s ASP 144 Cb 0.28 0.40 -0.04 0.00 -1.09 0.00 0.00 42.92 42.47 1tvi s ASP 144 CO 0.24 -0.86 0.15 -0.44 0.70 0.00 0.00 175.17 174.97 1tvi s SER 145 N -3.07 6.03 0.28 2.11 0.01 -1.26 -4.92 113.70 112.87 1tvi s SER 145 Ca 0.29 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1tvi s SER 145 Cb 0.05 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1tvi s SER 145 CO 0.07 0.18 0.00 -0.67 0.41 0.00 0.00 173.24 173.23 1tvi n ASP 146 N 0.44 -8.59 0.01 2.44 4.64 -1.26 -4.88 116.55 109.34 1tvi n ASP 146 Ca -0.07 1.24 -0.18 0.00 -1.38 0.00 0.00 54.79 54.40 1tvi n ASP 146 Cb 0.51 -4.60 -0.10 0.00 -1.04 0.00 0.00 41.12 35.90 1tvi n ASP 146 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1tvi h PRO 147 N 3.29 0.59 0.00 -0.67 0.13 -2.06 -3.47 132.00 129.82 1tvi h PRO 147 Ca 0.00 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1tvi h PRO 147 Cb 0.00 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1tvi h PRO 147 CO 0.00 1.19 0.00 0.41 -0.23 0.00 0.00 178.00 179.37 1tvi n GLY 148 N 0.94 -1.03 3.50 1.56 0.00 -1.26 -5.12 105.19 103.78 1tvi n GLY 148 Ca -0.10 0.21 -0.49 0.00 0.00 0.00 0.00 46.02 45.64 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 0.60 0.00 1.61 3.00 -1.26 -5.34 118.16 116.78 1tvi n LYS 149 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1tvi n LYS 149 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1tvi n LYS 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94