#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v6f s SER 2 N 0.00 6.41 0.47 1.61 1.04 -1.26 -5.04 113.70 116.94 1v6f s SER 2 Ca 0.00 2.50 0.06 0.00 0.48 0.00 0.00 55.95 58.99 1v6f s SER 2 Cb 0.00 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1v6f s SER 2 CO 0.00 -0.76 0.65 -0.94 0.98 0.00 0.00 173.24 173.17 1v6f s SER 3 N -0.93 5.50 0.00 7.02 1.04 -1.26 -4.99 113.70 120.08 1v6f s SER 3 Ca 0.57 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1v6f s SER 3 Cb -0.34 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.07 1v6f s SER 3 CO 0.44 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1v6f n GLY 4 N -2.04 0.92 3.52 7.32 0.00 -1.26 -5.05 105.19 108.60 1v6f n GLY 4 Ca 0.08 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1v6f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v6f s SER 5 N 0.00 6.22 0.98 1.61 0.01 -1.26 -5.01 113.70 116.26 1v6f s SER 5 Ca 0.00 -0.78 -0.13 0.00 1.31 0.00 0.00 55.95 56.35 1v6f s SER 5 Cb 0.00 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.79 1v6f s SER 5 CO 0.00 -1.67 0.49 -1.20 0.41 0.00 0.00 173.24 171.27 1v6f n SER 6 N 8.79 -1.75 0.00 2.44 7.64 -1.26 -5.01 113.62 124.47 1v6f n SER 6 Ca 0.06 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1v6f n SER 6 Cb 0.48 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1v6f n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v6f n GLY 7 N 1.37 -0.40 3.75 0.23 0.00 -1.26 -5.03 105.19 103.84 1v6f n GLY 7 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1v6f n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v6f s SER 8 N -3.13 5.28 0.00 1.61 0.01 -1.26 -5.01 113.70 111.20 1v6f s SER 8 Ca 0.00 -0.18 0.29 0.00 1.31 0.00 0.00 55.95 57.37 1v6f s SER 8 Cb 0.00 -1.31 1.24 0.00 0.21 0.00 0.00 66.02 66.16 1v6f s SER 8 CO 0.00 0.10 1.90 -1.84 0.41 0.00 0.00 173.24 173.82 1v6f n GLU 9 N -0.04 0.21 -4.10 12.44 -0.00 -1.26 -4.92 120.64 122.96 1v6f n GLU 9 Ca -0.09 -0.03 -0.30 0.00 -0.00 0.00 0.00 57.16 56.74 1v6f n GLU 9 Cb 0.54 -1.50 -0.03 0.00 -0.00 0.00 0.00 31.44 30.45 1v6f n GLU 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1v6f n SER 10 N -1.37 -1.28 -4.87 -1.84 2.88 -1.26 -4.95 113.62 100.93 1v6f n SER 10 Ca 0.10 -1.04 -0.26 0.00 -1.33 0.00 0.00 58.87 56.34 1v6f n SER 10 Cb 0.30 -2.76 -0.02 0.00 -0.75 0.00 0.00 64.21 60.98 1v6f n SER 10 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1v6f s LEU 11 N -7.13 2.80 -0.14 2.46 1.43 -1.26 -5.08 118.68 111.75 1v6f s LEU 11 Ca 0.28 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 1v6f s LEU 11 Cb -0.15 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.80 1v6f s LEU 11 CO 0.92 -0.97 -0.18 -0.69 0.23 0.00 0.00 176.35 175.66 1v6f s VAL 12 N -2.72 1.78 -0.11 -1.59 1.01 -1.24 -5.04 120.40 112.48 1v6f s VAL 12 Ca 0.35 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1v6f s VAL 12 Cb -0.01 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1v6f s VAL 12 CO 0.21 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.92 1v6f s VAL 13 N 1.17 2.43 0.29 2.92 1.01 -1.26 -2.94 120.40 124.02 1v6f s VAL 13 Ca -0.00 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1v6f s VAL 13 Cb -0.14 -1.97 0.04 0.00 0.00 0.00 0.00 36.38 34.31 1v6f s VAL 13 CO -0.07 0.55 0.32 0.00 0.00 0.00 0.00 175.10 175.89 1v6f s ASP 15 N -2.74 4.64 -0.12 0.00 1.11 -1.26 -4.87 116.67 113.43 1v6f s ASP 15 Ca 0.24 -0.56 -0.20 0.00 0.18 0.00 0.00 52.55 52.21 1v6f s ASP 15 Cb -0.02 -0.91 -0.04 0.00 1.07 0.00 0.00 42.92 43.02 1v6f s ASP 15 CO 0.15 0.02 0.56 0.68 1.18 0.00 0.00 175.17 177.76 1v6f s VAL 16 N -2.15 5.13 0.16 -1.27 -7.23 -1.26 -1.13 120.40 112.63 1v6f s VAL 16 Ca 0.30 1.11 -0.31 0.00 -1.81 0.00 0.00 61.98 61.27 1v6f s VAL 16 Cb -0.07 -3.89 -0.09 0.00 0.56 0.00 0.00 36.38 32.89 1v6f s VAL 16 CO 0.20 0.27 1.41 0.00 -0.31 0.00 0.00 175.10 176.67 1v6f s ALA 17 N 0.91 3.62 0.36 1.32 0.00 -0.20 -4.85 121.76 122.92 1v6f s ALA 17 Ca 0.29 1.19 0.08 0.00 0.00 0.00 0.00 51.96 53.52 1v6f s ALA 17 Cb -0.16 -3.54 0.81 0.00 0.00 0.00 0.00 23.12 20.22 1v6f s ALA 17 CO 0.12 -0.64 1.89 1.05 0.00 0.00 0.00 175.76 178.18 1v6f h GLU 18 N 6.30 0.68 -0.55 0.00 4.11 -1.96 0.25 114.58 123.41 1v6f h GLU 18 Ca -0.43 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 58.93 1v6f h GLU 18 Cb 1.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1v6f h GLU 18 CO 0.84 0.45 0.24 -0.44 0.07 0.00 0.00 179.01 180.17 1v6f h ASP 19 N 0.70 0.71 0.00 3.06 5.19 -1.95 -2.83 116.42 121.31 1v6f h ASP 19 Ca 0.42 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.72 1v6f h ASP 19 Cb 0.63 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 1v6f h ASP 19 CO -0.18 0.63 -0.18 0.25 -3.12 0.00 0.00 179.24 176.64 1v6f h LEU 20 N 0.78 0.00 -0.94 1.55 5.85 -1.31 -3.37 115.31 117.87 1v6f h LEU 20 Ca 0.19 -0.66 0.14 0.00 0.84 0.00 0.00 57.88 58.38 1v6f h LEU 20 Cb 0.13 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.01 1v6f h LEU 20 CO -0.02 0.94 -0.39 0.52 -0.34 0.00 0.00 178.44 179.14 1v6f n VAL 21 N -4.63 -0.51 -0.33 1.05 0.31 0.68 0.13 118.33 115.03 1v6f n VAL 21 Ca -0.10 2.21 0.28 0.00 -0.01 0.00 0.00 64.34 66.71 1v6f n VAL 21 Cb 0.39 -2.89 0.53 0.00 -0.91 0.00 0.00 33.84 30.96 1v6f n VAL 21 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1v6f h GLU 22 N 0.00 0.18 0.06 5.55 4.11 -1.66 0.37 114.58 123.19 1v6f h GLU 22 Ca 0.30 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.72 1v6f h GLU 22 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1v6f h GLU 22 CO -0.92 0.12 -0.03 0.87 0.07 0.00 0.00 179.01 179.12 1v6f h LYS 23 N 0.18 -0.07 -1.00 1.06 1.57 0.85 -2.84 116.57 116.33 1v6f h LYS 23 Ca 0.79 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.60 1v6f h LYS 23 Cb 1.93 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 34.21 1v6f h LYS 23 CO -0.67 0.16 0.66 -0.07 -0.57 0.00 0.00 179.45 178.96 1v6f h LEU 24 N -0.31 1.11 -0.50 2.94 3.38 -0.12 -2.22 115.31 119.59 1v6f h LEU 24 Ca -0.01 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1v6f h LEU 24 Cb 0.27 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1v6f h LEU 24 CO 0.01 0.78 0.14 0.03 0.09 0.00 0.00 178.44 179.49 1v6f h ARG 25 N 1.30 0.28 -0.61 1.13 3.08 -0.80 -1.85 114.38 116.91 1v6f h ARG 25 Ca 0.38 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.36 1v6f h ARG 25 Cb -0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1v6f h ARG 25 CO -0.11 0.19 0.16 0.87 -1.07 0.00 0.00 179.97 180.01 1v6f h LYS 26 N 0.29 0.96 -0.80 0.04 1.79 -1.20 -3.00 116.57 114.65 1v6f h LYS 26 Ca 0.25 -0.22 0.13 0.00 -2.18 0.00 0.00 60.65 58.63 1v6f h LYS 26 Cb 0.31 -0.13 -0.14 0.00 -1.58 0.00 0.00 32.23 30.69 1v6f h LYS 26 CO -0.29 0.87 -0.35 0.35 -1.08 0.00 0.00 179.45 178.96 1v6f h PHE 27 N 0.88 -0.95 -0.09 -1.35 3.04 -0.75 1.50 116.94 119.21 1v6f h PHE 27 Ca 0.19 0.09 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 1v6f h PHE 27 Cb 0.33 0.53 -0.00 0.00 2.56 0.00 0.00 35.95 39.37 1v6f h PHE 27 CO 0.02 -0.39 0.05 0.00 -2.02 0.00 0.00 178.31 175.97 1v6f h ARG 28 N -0.07 0.13 -1.13 1.11 2.47 -1.45 -2.69 114.38 112.75 1v6f h ARG 28 Ca 0.30 -0.02 -0.45 0.00 -1.26 0.00 0.00 59.98 58.56 1v6f h ARG 28 Cb 0.58 -0.03 -0.22 0.00 -1.65 0.00 0.00 29.97 28.65 1v6f h ARG 28 CO -0.84 0.18 0.58 1.19 0.56 0.00 0.00 179.97 181.63 1v6f n PHE 29 N -4.97 2.36 -2.17 3.04 3.72 0.05 -4.96 117.46 114.52 1v6f n PHE 29 Ca -0.06 -2.02 -0.42 0.00 -0.05 0.00 0.00 57.45 54.90 1v6f n PHE 29 Cb 0.07 -1.00 -0.03 0.00 -0.94 0.00 0.00 39.48 37.59 1v6f n PHE 29 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1v6f s ARG 30 N -2.66 4.27 -0.17 -1.08 1.70 0.49 -4.89 118.95 116.60 1v6f s ARG 30 Ca 0.46 2.02 0.04 0.00 -0.47 0.00 0.00 55.73 57.78 1v6f s ARG 30 Cb 0.37 -3.59 0.36 0.00 -0.57 0.00 0.00 34.95 31.53 1v6f s ARG 30 CO 0.04 -0.61 1.29 0.36 -1.08 0.00 0.00 175.30 175.30 1v6f n LYS 31 N 5.46 2.23 -3.54 3.89 -0.00 -1.26 -4.89 118.16 120.05 1v6f n LYS 31 Ca 0.14 -1.51 -0.21 0.00 -0.00 0.00 0.00 58.31 56.73 1v6f n LYS 31 Cb 0.43 -1.72 -0.02 0.00 -0.00 0.00 0.00 35.03 33.72 1v6f n LYS 31 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1v6f s GLU 32 N -1.73 2.52 -0.15 -1.58 2.02 -1.26 -5.07 118.70 113.46 1v6f s GLU 32 Ca 0.27 -1.55 -0.02 0.00 0.02 0.00 0.00 54.97 53.69 1v6f s GLU 32 Cb 0.22 -2.39 -0.09 0.00 0.10 0.00 0.00 34.13 31.98 1v6f s GLU 32 CO 0.07 -0.24 -0.15 2.41 0.02 0.00 0.00 175.26 177.36 1v6f n THR 33 N -1.60 0.83 -0.34 3.63 -1.04 -1.26 -5.03 114.28 109.46 1v6f n THR 33 Ca 0.04 -0.28 -0.25 0.00 -2.04 0.00 0.00 64.05 61.51 1v6f n THR 33 Cb 0.62 -1.23 0.24 0.00 -1.82 0.00 0.00 70.33 68.13 1v6f n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1v6f n HIS 34 N -3.16 -3.19 -2.44 -1.42 -0.00 -1.26 -5.02 115.22 98.73 1v6f n HIS 34 Ca -0.27 -0.49 -0.25 0.00 -0.00 0.00 0.00 57.72 56.72 1v6f n HIS 34 Cb 0.75 -1.37 0.12 0.00 -0.00 0.00 0.00 29.99 29.49 1v6f n HIS 34 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1v6f s ASN 35 N -2.64 4.19 0.16 4.39 -0.87 -1.26 -4.82 114.94 114.09 1v6f s ASN 35 Ca 0.55 -0.17 -0.23 0.00 -1.57 0.00 0.00 52.86 51.43 1v6f s ASN 35 Cb -0.10 -0.19 0.07 0.00 -0.02 0.00 0.00 41.25 41.01 1v6f s ASN 35 CO 0.47 -1.97 0.62 0.00 -2.57 0.00 0.00 177.10 173.64 1v6f s ALA 36 N -3.27 -1.58 -0.26 0.60 0.00 -1.26 0.32 121.76 116.30 1v6f s ALA 36 Ca 0.67 0.46 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 1v6f s ALA 36 Cb -0.06 0.87 0.14 0.00 0.00 0.00 0.00 23.12 24.08 1v6f s ALA 36 CO 0.46 -0.78 0.51 0.00 0.00 0.00 0.00 175.76 175.94 1v6f s ALA 37 N -3.74 -1.66 -0.28 0.00 0.00 -0.35 -3.42 121.76 112.31 1v6f s ALA 37 Ca 0.02 1.61 -0.09 0.00 0.00 0.00 0.00 51.96 53.50 1v6f s ALA 37 Cb -0.01 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 1v6f s ALA 37 CO -0.12 -1.11 0.13 0.42 0.00 0.00 0.00 175.76 175.08 1v6f s ILE 38 N 2.73 4.61 -0.05 0.00 1.01 -1.10 -0.39 121.20 128.01 1v6f s ILE 38 Ca 0.09 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 1v6f s ILE 38 Cb -0.14 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 1v6f s ILE 38 CO -0.17 0.19 0.23 -0.63 0.00 0.00 0.00 174.94 174.56 1v6f s ILE 39 N 1.64 5.36 0.02 2.92 1.01 -0.71 -1.37 121.20 130.08 1v6f s ILE 39 Ca 0.06 0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.01 1v6f s ILE 39 Cb -0.16 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1v6f s ILE 39 CO 0.06 0.51 -0.10 -0.04 0.00 0.00 0.00 174.94 175.37 1v6f s MET 40 N -1.34 0.72 0.13 2.79 -1.94 -0.01 -0.45 119.30 119.21 1v6f s MET 40 Ca 0.21 -0.58 0.03 0.00 -1.71 0.00 0.00 55.69 53.64 1v6f s MET 40 Cb -0.13 -0.66 -0.04 0.00 2.01 0.00 0.00 34.83 36.00 1v6f s MET 40 CO 0.10 0.16 -0.08 -1.59 -0.01 0.00 0.00 175.02 173.61 1v6f s LYS 41 N -0.90 0.98 -0.12 2.03 0.00 -1.16 -2.53 119.74 118.03 1v6f s LYS 41 Ca -0.01 -1.41 0.01 0.00 0.00 0.00 0.00 55.97 54.57 1v6f s LYS 41 Cb -0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 37.83 37.31 1v6f s LYS 41 CO 0.01 0.03 -0.18 0.42 0.00 0.00 0.00 175.35 175.63 1v6f s ILE 42 N -3.46 2.61 0.81 3.79 1.01 -1.26 -2.82 121.20 121.88 1v6f s ILE 42 Ca 0.15 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 1v6f s ILE 42 Cb 0.04 -2.07 0.18 0.00 0.01 0.00 0.00 42.46 40.62 1v6f s ILE 42 CO -0.01 0.54 1.10 -0.67 0.00 0.00 0.00 174.94 175.89 1v6f n ASP 43 N 3.62 0.27 -0.01 3.58 2.03 -1.26 -5.00 116.55 119.78 1v6f n ASP 43 Ca -0.19 -1.51 -0.22 0.00 0.52 0.00 0.00 54.79 53.39 1v6f n ASP 43 Cb 0.53 -0.82 -0.14 0.00 -0.72 0.00 0.00 41.12 39.97 1v6f n ASP 43 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1v6f h LYS 44 N 0.00 0.22 0.00 -0.67 2.10 -1.99 -3.34 116.57 112.89 1v6f h LYS 44 Ca -0.36 -0.38 -0.31 0.00 -2.00 0.00 0.00 60.65 57.60 1v6f h LYS 44 Cb 1.03 0.14 -0.05 0.00 -0.90 0.00 0.00 32.23 32.46 1v6f h LYS 44 CO 0.27 1.18 -1.76 -3.47 -2.00 0.00 0.00 179.45 173.68 1v6f n ASP 45 N -3.71 1.90 0.10 7.07 -0.08 -1.26 -4.24 116.55 116.33 1v6f n ASP 45 Ca -0.31 0.40 0.20 0.00 -1.51 0.00 0.00 54.79 53.57 1v6f n ASP 45 Cb 0.97 -0.89 0.71 0.00 2.34 0.00 0.00 41.12 44.25 1v6f n ASP 45 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1v6f h GLU 46 N -1.00 0.00 -5.03 -0.67 4.39 -1.99 -3.43 114.58 106.85 1v6f h GLU 46 Ca -0.46 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 58.95 1v6f h GLU 46 Cb 1.37 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.85 1v6f h GLU 46 CO -0.28 0.00 -0.41 2.89 -1.16 0.00 0.00 179.01 180.05 1v6f n ARG 47 N -3.50 -1.18 -3.89 2.33 -4.01 -1.25 -4.83 116.66 100.32 1v6f n ARG 47 Ca 0.08 0.06 -0.14 0.00 -1.04 0.00 0.00 57.85 56.81 1v6f n ARG 47 Cb 0.70 -2.85 -0.15 0.00 -3.04 0.00 0.00 32.46 27.13 1v6f n ARG 47 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 1v6f s LEU 48 N -4.37 1.72 -0.30 2.89 2.96 -1.26 -4.19 118.68 116.13 1v6f s LEU 48 Ca 0.38 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 54.00 1v6f s LEU 48 Cb -0.22 -0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.39 1v6f s LEU 48 CO 0.47 -0.03 1.55 -0.69 -1.32 0.00 0.00 176.35 176.33 1v6f s VAL 49 N 0.32 3.77 0.34 1.68 1.01 -0.29 -4.31 120.40 122.93 1v6f s VAL 49 Ca -0.03 0.84 0.09 0.00 0.00 0.00 0.00 61.98 62.88 1v6f s VAL 49 Cb -0.04 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1v6f s VAL 49 CO -0.01 -0.45 0.03 0.68 0.00 0.00 0.00 175.10 175.35 1v6f s VAL 50 N 5.45 2.69 -0.05 2.92 -7.23 -1.13 -1.03 120.40 122.02 1v6f s VAL 50 Ca 0.68 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 1v6f s VAL 50 Cb -0.20 -2.82 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 1v6f s VAL 50 CO 0.30 -0.20 1.47 -0.22 -0.31 0.00 0.00 175.10 176.14 1v6f s LEU 51 N -3.73 4.29 -0.14 1.32 1.98 -1.26 -2.99 118.68 118.15 1v6f s LEU 51 Ca 0.35 2.09 -0.15 0.00 -2.89 0.00 0.00 54.13 53.52 1v6f s LEU 51 Cb -0.01 -3.55 -0.24 0.00 0.66 0.00 0.00 46.19 43.05 1v6f s LEU 51 CO 0.20 -0.80 0.41 -0.78 -1.89 0.00 0.00 176.35 173.48 1v6f h ASP 52 N 8.48 0.27 -3.32 3.68 1.82 -1.10 -3.47 116.42 122.78 1v6f h ASP 52 Ca -0.36 -0.78 0.19 0.00 -0.39 0.00 0.00 57.03 55.69 1v6f h ASP 52 Cb 1.16 -0.09 -0.27 0.00 0.68 0.00 0.00 39.33 40.82 1v6f h ASP 52 CO 0.93 1.63 0.84 -1.83 -1.61 0.00 0.00 179.24 179.20 1v6f s GLU 53 N -2.46 0.21 -0.20 0.28 -1.05 -1.15 -5.00 118.70 109.33 1v6f s GLU 53 Ca -0.23 0.06 -0.04 0.00 -0.15 0.00 0.00 54.97 54.61 1v6f s GLU 53 Cb 0.05 0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.82 1v6f s GLU 53 CO 0.71 -0.06 -0.04 -1.21 0.95 0.00 0.00 175.26 175.61 1v6f s GLU 54 N -0.96 3.47 -0.00 -4.83 2.02 -1.26 -1.73 118.70 115.40 1v6f s GLU 54 Ca 0.06 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.47 1v6f s GLU 54 Cb -0.01 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1v6f s GLU 54 CO -0.06 -0.05 -0.01 -0.51 0.02 0.00 0.00 175.26 174.65 1v6f s LEU 55 N 1.12 3.47 0.10 1.80 1.43 0.48 -4.98 118.68 122.10 1v6f s LEU 55 Ca 0.02 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1v6f s LEU 55 Cb -0.15 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1v6f s LEU 55 CO -0.00 0.29 -0.16 -1.61 0.23 0.00 0.00 176.35 175.10 1v6f s GLU 56 N -1.50 0.99 -1.15 1.70 2.02 -1.26 -1.21 118.70 118.28 1v6f s GLU 56 Ca 0.19 -1.13 -0.23 0.00 0.02 0.00 0.00 54.97 53.81 1v6f s GLU 56 Cb -0.11 -1.01 0.03 0.00 0.10 0.00 0.00 34.13 33.14 1v6f s GLU 56 CO 0.09 0.22 0.44 0.41 0.02 0.00 0.00 175.26 176.44 1v6f n GLY 57 N 0.90 -0.56 3.81 -1.39 0.00 0.15 -4.87 105.19 103.23 1v6f n GLY 57 Ca -0.18 0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1v6f n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1v6f s VAL 58 N -3.85 1.67 0.26 1.61 -7.23 -1.26 -4.87 120.40 106.74 1v6f s VAL 58 Ca 0.32 -1.72 0.10 0.00 -1.81 0.00 0.00 61.98 58.86 1v6f s VAL 58 Cb -0.18 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 1v6f s VAL 58 CO 0.87 0.00 -0.16 -0.44 -0.31 0.00 0.00 175.10 175.06 1v6f s SER 59 N -4.04 3.14 0.26 4.85 0.01 -1.26 -4.73 113.70 111.93 1v6f s SER 59 Ca 0.27 -1.05 0.23 0.00 1.31 0.00 0.00 55.95 56.71 1v6f s SER 59 Cb 0.01 -0.23 0.98 0.00 0.21 0.00 0.00 66.02 66.99 1v6f s SER 59 CO 0.15 -0.09 1.71 -0.81 0.41 0.00 0.00 173.24 174.61 1v6f n PRO 60 N -0.54 0.19 -0.05 12.44 -0.04 -1.26 0.14 135.00 145.89 1v6f n PRO 60 Ca -0.06 0.43 -0.10 0.00 -0.04 0.00 0.00 63.50 63.73 1v6f n PRO 60 Cb 0.61 -1.87 -0.15 0.00 -0.04 0.00 0.00 33.50 32.05 1v6f n PRO 60 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1v6f n ASP 61 N -2.23 0.72 0.00 3.54 2.03 -1.26 -3.90 116.55 115.45 1v6f n ASP 61 Ca 0.02 0.27 0.01 0.00 0.52 0.00 0.00 54.79 55.61 1v6f n ASP 61 Cb 0.23 0.19 -0.11 0.00 -0.72 0.00 0.00 41.12 40.70 1v6f n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1v6f n GLU 62 N -2.99 0.64 0.13 -0.67 1.02 -1.08 -4.26 120.64 113.44 1v6f n GLU 62 Ca -0.23 0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 56.87 1v6f n GLU 62 Cb 1.08 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 30.72 1v6f n GLU 62 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1v6f h LEU 63 N 0.00 -0.28 -1.76 -4.62 5.85 -0.49 -2.95 115.31 111.06 1v6f h LEU 63 Ca -0.20 -0.20 0.30 0.00 0.84 0.00 0.00 57.88 58.62 1v6f h LEU 63 Cb 1.58 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 1v6f h LEU 63 CO 0.03 0.06 0.75 0.07 -0.34 0.00 0.00 178.44 179.02 1v6f h LYS 64 N -0.66 0.14 -0.26 1.25 2.10 -1.76 0.64 116.57 118.01 1v6f h LYS 64 Ca -0.03 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 1v6f h LYS 64 Cb 0.46 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 1v6f h LYS 64 CO 0.06 0.09 0.01 0.22 -2.00 0.00 0.00 179.45 177.83 1v6f h ASP 65 N 0.15 0.35 -0.15 7.07 3.58 -1.70 -1.24 116.42 124.48 1v6f h ASP 65 Ca 0.55 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.95 1v6f h ASP 65 Cb 1.90 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.86 1v6f h ASP 65 CO -0.12 0.41 0.00 -0.62 -2.88 0.00 0.00 179.24 176.04 1v6f n GLU 66 N -4.34 1.84 -4.35 0.28 -0.58 0.22 -4.83 120.64 108.90 1v6f n GLU 66 Ca 0.01 -0.76 -0.25 0.00 -0.42 0.00 0.00 57.16 55.74 1v6f n GLU 66 Cb 0.20 -1.56 -0.12 0.00 -0.57 0.00 0.00 31.44 29.39 1v6f n GLU 66 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1v6f s LEU 67 N -0.76 2.36 0.15 -4.62 1.43 -0.47 -5.11 118.68 111.66 1v6f s LEU 67 Ca 0.13 -0.78 -0.31 0.00 -1.03 0.00 0.00 54.13 52.15 1v6f s LEU 67 Cb 0.09 -1.00 -0.08 0.00 0.03 0.00 0.00 46.19 45.23 1v6f s LEU 67 CO 0.05 0.08 1.34 -2.16 0.23 0.00 0.00 176.35 175.88 1v6f s PRO 68 N -2.29 4.36 -0.26 1.29 0.04 -1.26 -4.93 135.00 131.95 1v6f s PRO 68 Ca 0.13 2.04 0.13 0.00 0.04 0.00 0.00 61.00 63.35 1v6f s PRO 68 Cb -0.09 -3.23 0.76 0.00 0.04 0.00 0.00 34.50 31.99 1v6f s PRO 68 CO 0.06 -0.34 1.72 -0.85 0.04 0.00 0.00 177.00 177.64 1v6f n GLU 69 N 3.32 4.29 0.00 4.56 0.28 -1.26 -4.29 120.64 127.54 1v6f n GLU 69 Ca 0.09 -3.11 0.00 0.00 -0.16 0.00 0.00 57.16 53.98 1v6f n GLU 69 Cb 0.43 -2.20 0.00 0.00 1.43 0.00 0.00 31.44 31.10 1v6f n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1v6f n ARG 70 N 0.23 1.74 -4.30 3.44 1.74 -1.26 -4.75 116.66 113.50 1v6f n ARG 70 Ca 0.31 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.15 1v6f n ARG 70 Cb 1.21 -0.78 -0.12 0.00 -1.02 0.00 0.00 32.46 31.75 1v6f n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1v6f s GLN 71 N -1.56 1.16 0.15 5.56 -1.52 -1.26 -2.91 119.66 119.29 1v6f s GLN 71 Ca 0.00 -1.21 -0.31 0.00 -1.95 0.00 0.00 55.36 51.89 1v6f s GLN 71 Cb 0.00 -1.40 -0.08 0.00 -0.22 0.00 0.00 33.01 31.31 1v6f s GLN 71 CO 0.00 0.32 1.33 -1.25 -0.25 0.00 0.00 175.29 175.44 1v6f s PRO 72 N -2.07 4.37 0.10 2.91 0.04 -1.26 -4.50 135.00 134.58 1v6f s PRO 72 Ca 0.08 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.19 1v6f s PRO 72 Cb -0.09 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1v6f s PRO 72 CO 0.05 -0.32 -0.09 0.50 0.04 0.00 0.00 177.00 177.17 1v6f s ARG 73 N 0.46 0.86 -0.14 4.56 6.06 0.03 -4.99 118.95 125.80 1v6f s ARG 73 Ca 0.60 -1.22 -0.09 0.00 -2.50 0.00 0.00 55.73 52.52 1v6f s ARG 73 Cb -0.36 -0.47 -0.04 0.00 0.06 0.00 0.00 34.95 34.14 1v6f s ARG 73 CO 0.34 0.06 0.17 -0.06 -2.50 0.00 0.00 175.30 173.31 1v6f s PHE 74 N -2.77 3.54 -0.13 5.12 0.08 -1.05 -2.54 117.98 120.23 1v6f s PHE 74 Ca 0.08 0.50 -0.07 0.00 0.12 0.00 0.00 56.93 57.56 1v6f s PHE 74 Cb -0.01 -2.07 0.05 0.00 -0.57 0.00 0.00 43.02 40.43 1v6f s PHE 74 CO -0.01 0.55 0.32 0.42 -0.10 0.00 0.00 175.22 176.40 1v6f s ILE 75 N -0.47 -0.03 -0.44 0.64 1.09 -1.21 -0.83 121.20 119.95 1v6f s ILE 75 Ca 0.14 0.12 -0.06 0.00 -1.10 0.00 0.00 60.65 59.75 1v6f s ILE 75 Cb -0.12 -0.49 0.12 0.00 -1.06 0.00 0.00 42.46 40.91 1v6f s ILE 75 CO 0.03 0.05 0.27 -0.69 -0.10 0.00 0.00 174.94 174.50 1v6f s VAL 76 N 1.29 3.70 0.22 2.92 1.01 -0.47 -1.95 120.40 127.13 1v6f s VAL 76 Ca -0.09 -1.96 0.05 0.00 0.00 0.00 0.00 61.98 59.98 1v6f s VAL 76 Cb -0.09 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1v6f s VAL 76 CO -0.10 -0.73 0.33 -0.47 0.00 0.00 0.00 175.10 174.13 1v6f s TYR 77 N 1.21 3.44 -0.36 5.22 5.04 -1.21 -2.70 117.35 128.00 1v6f s TYR 77 Ca 0.07 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1v6f s TYR 77 Cb -0.24 -1.58 0.12 0.00 0.35 0.00 0.00 41.96 40.60 1v6f s TYR 77 CO -0.03 0.46 0.16 0.45 -1.34 0.00 0.00 175.55 175.26 1v6f s SER 78 N -3.80 3.71 1.08 4.32 0.15 -1.22 -2.68 113.70 115.25 1v6f s SER 78 Ca 0.34 -2.03 -0.13 0.00 0.70 0.00 0.00 55.95 54.83 1v6f s SER 78 Cb -0.09 -0.81 0.23 0.00 -1.71 0.00 0.00 66.02 63.63 1v6f s SER 78 CO 0.29 -0.35 1.07 -0.47 1.20 0.00 0.00 173.24 174.98 1v6f s TYR 79 N 1.14 1.74 -0.36 3.44 5.04 -1.25 -4.61 117.35 122.50 1v6f s TYR 79 Ca 0.14 0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 55.72 1v6f s TYR 79 Cb -0.21 -3.23 0.08 0.00 0.35 0.00 0.00 41.96 38.96 1v6f s TYR 79 CO -0.13 -3.31 0.10 0.21 -1.34 0.00 0.00 175.55 171.08 1v6f s LYS 80 N -4.87 2.14 -0.65 4.97 2.20 -1.26 -3.52 119.74 118.74 1v6f s LYS 80 Ca 0.67 -1.58 -0.21 0.00 -0.36 0.00 0.00 55.97 54.48 1v6f s LYS 80 Cb -0.20 -3.38 0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1v6f s LYS 80 CO 0.59 -0.86 0.88 -0.47 -0.36 0.00 0.00 175.35 175.13 1v6f s TYR 81 N 1.17 2.83 0.03 4.03 6.14 0.14 -4.95 117.35 126.73 1v6f s TYR 81 Ca 0.03 -0.76 -0.25 0.00 0.64 0.00 0.00 57.07 56.72 1v6f s TYR 81 Cb -0.21 -4.19 -0.05 0.00 0.42 0.00 0.00 41.96 37.93 1v6f s TYR 81 CO -0.03 -1.51 0.77 -1.14 0.64 0.00 0.00 175.55 174.28 1v6f s GLN 82 N 3.45 4.50 -0.18 4.97 -0.44 -1.26 -1.72 119.66 128.97 1v6f s GLN 82 Ca 0.19 1.07 -0.08 0.00 -2.50 0.00 0.00 55.36 54.03 1v6f s GLN 82 Cb -0.19 -3.38 -0.04 0.00 -1.64 0.00 0.00 33.01 27.76 1v6f s GLN 82 CO 0.07 0.24 0.09 -1.01 0.50 0.00 0.00 175.29 175.19 1v6f s HIS 83 N 0.10 3.34 0.21 1.67 3.76 0.16 -4.98 115.29 119.56 1v6f s HIS 83 Ca 0.39 0.22 -0.17 0.00 -0.15 0.00 0.00 55.06 55.35 1v6f s HIS 83 Cb -0.20 -2.09 0.20 0.00 1.11 0.00 0.00 32.58 31.60 1v6f s HIS 83 CO 0.23 0.28 1.42 -0.25 -0.85 0.00 0.00 174.74 175.56 1v6f n ASP 84 N 3.33 -0.62 -0.33 1.40 8.00 -1.26 0.13 116.55 127.20 1v6f n ASP 84 Ca -0.17 1.60 0.27 0.00 0.71 0.00 0.00 54.79 57.20 1v6f n ASP 84 Cb 0.52 -0.35 0.51 0.00 -0.02 0.00 0.00 41.12 41.78 1v6f n ASP 84 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1v6f h ASP 85 N 0.00 0.29 0.00 -2.24 5.19 -2.04 -3.44 116.42 114.17 1v6f h ASP 85 Ca 0.30 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 1v6f h ASP 85 Cb 0.53 0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1v6f h ASP 85 CO -0.90 -0.33 0.00 0.61 -3.12 0.00 0.00 179.24 175.50 1v6f n GLY 86 N -1.30 3.70 3.76 2.75 0.00 0.35 -5.13 105.19 109.31 1v6f n GLY 86 Ca 0.34 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1v6f n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1v6f s ARG 87 N 0.00 3.29 -0.08 1.61 3.52 -1.24 -4.60 118.95 121.45 1v6f s ARG 87 Ca 0.00 2.07 -0.04 0.00 -0.13 0.00 0.00 55.73 57.62 1v6f s ARG 87 Cb 0.00 -2.27 0.04 0.00 -1.56 0.00 0.00 34.95 31.16 1v6f s ARG 87 CO 0.00 -1.02 0.19 0.54 -0.81 0.00 0.00 175.30 174.20 1v6f s VAL 88 N -1.39 -0.03 0.24 7.11 0.11 -1.26 0.38 120.40 125.55 1v6f s VAL 88 Ca 0.70 0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.95 1v6f s VAL 88 Cb -0.36 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 1v6f s VAL 88 CO 0.43 0.05 -0.11 -0.55 -3.33 0.00 0.00 175.10 171.58 1v6f s SER 89 N 0.91 2.74 -0.51 3.54 0.15 -0.70 -4.95 113.70 114.89 1v6f s SER 89 Ca -0.07 -1.09 0.01 0.00 0.70 0.00 0.00 55.95 55.50 1v6f s SER 89 Cb -0.08 -0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.19 1v6f s SER 89 CO -0.05 -0.22 0.28 -0.31 1.20 0.00 0.00 173.24 174.13 1v6f s TYR 90 N -2.95 3.43 -0.08 3.44 2.02 -1.26 0.25 117.35 122.21 1v6f s TYR 90 Ca 0.26 -2.87 -0.30 0.00 -0.37 0.00 0.00 57.07 53.80 1v6f s TYR 90 Cb 0.01 -3.03 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 1v6f s TYR 90 CO 0.10 -0.85 1.51 -1.25 -1.57 0.00 0.00 175.55 173.49 1v6f s PRO 91 N 0.22 4.21 -0.10 -1.71 0.04 -1.23 -4.82 135.00 131.61 1v6f s PRO 91 Ca 0.14 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 1v6f s PRO 91 Cb -0.22 -3.87 -0.02 0.00 0.04 0.00 0.00 34.50 30.43 1v6f s PRO 91 CO -0.03 -0.77 1.12 -0.51 0.04 0.00 0.00 177.00 176.84 1v6f s LEU 92 N 3.66 4.24 0.16 -3.56 2.01 -1.26 -3.83 118.68 120.10 1v6f s LEU 92 Ca 0.67 1.65 0.06 0.00 0.01 0.00 0.00 54.13 56.52 1v6f s LEU 92 Cb -0.30 -3.55 -0.04 0.00 0.01 0.00 0.00 46.19 42.31 1v6f s LEU 92 CO 0.25 -0.56 -0.13 0.00 1.01 0.00 0.00 176.35 176.92 1v6f s PHE 94 N -2.92 3.25 -0.56 0.00 2.19 0.36 -3.32 117.98 116.98 1v6f s PHE 94 Ca 0.17 -0.97 -0.18 0.00 0.33 0.00 0.00 56.93 56.28 1v6f s PHE 94 Cb -0.00 -2.55 0.10 0.00 -1.31 0.00 0.00 43.02 39.25 1v6f s PHE 94 CO 0.04 -0.67 0.63 0.42 1.83 0.00 0.00 175.22 177.46 1v6f s ILE 95 N 1.56 4.94 -0.96 3.12 1.01 -0.82 -0.47 121.20 129.58 1v6f s ILE 95 Ca 0.03 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.43 1v6f s ILE 95 Cb -0.20 -4.40 0.07 0.00 0.01 0.00 0.00 42.46 37.94 1v6f s ILE 95 CO 0.07 -0.98 1.33 0.12 0.00 0.00 0.00 174.94 175.48 1v6f s PHE 96 N 2.38 2.66 -0.75 3.97 5.36 0.26 -3.36 117.98 128.50 1v6f s PHE 96 Ca 0.10 -0.90 -0.26 0.00 -0.96 0.00 0.00 56.93 54.91 1v6f s PHE 96 Cb -0.25 -4.57 0.01 0.00 -0.34 0.00 0.00 43.02 37.87 1v6f s PHE 96 CO 0.06 -1.83 1.59 -1.54 -1.46 0.00 0.00 175.22 172.04 1v6f s SER 97 N 4.49 5.77 -0.33 6.13 1.04 -1.05 -2.31 113.70 127.43 1v6f s SER 97 Ca 0.41 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.55 1v6f s SER 97 Cb -0.03 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.64 1v6f s SER 97 CO -0.07 -2.10 0.03 -0.55 0.98 0.00 0.00 173.24 171.54 1v6f s SER 98 N 5.97 4.71 0.00 7.02 0.15 -0.85 -0.79 113.70 129.92 1v6f s SER 98 Ca 0.52 -2.06 -0.30 0.00 0.70 0.00 0.00 55.95 54.81 1v6f s SER 98 Cb -0.08 -1.60 -0.06 0.00 -1.71 0.00 0.00 66.02 62.56 1v6f s SER 98 CO 0.12 -0.36 1.45 -2.16 1.20 0.00 0.00 173.24 173.49 1v6f s PRO 99 N 0.94 4.26 0.60 5.44 0.04 -1.22 -3.98 135.00 141.09 1v6f s PRO 99 Ca 0.09 2.02 0.28 0.00 0.04 0.00 0.00 61.00 63.43 1v6f s PRO 99 Cb -0.19 -3.61 1.37 0.00 0.04 0.00 0.00 34.50 32.11 1v6f s PRO 99 CO -0.08 -0.62 1.78 0.28 0.04 0.00 0.00 177.00 178.39 1v6f h VAL 100 N 4.96 0.25 -0.01 -0.36 2.07 -1.34 0.27 116.25 122.09 1v6f h VAL 100 Ca -0.38 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1v6f h VAL 100 Cb 1.18 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1v6f h VAL 100 CO 0.91 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.11 1v6f n GLY 101 N -1.51 1.61 3.87 2.17 0.00 -1.26 -4.83 105.19 105.24 1v6f n GLY 101 Ca 0.09 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1v6f n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v6f s LYS 103 N -3.90 3.73 0.07 0.00 -2.85 -1.26 -5.00 119.74 110.53 1v6f s LYS 103 Ca 0.34 0.46 -0.18 0.00 -1.00 0.00 0.00 55.97 55.59 1v6f s LYS 103 Cb -0.08 -2.35 -0.11 0.00 -2.06 0.00 0.00 37.83 33.22 1v6f s LYS 103 CO 0.26 -0.12 1.38 -1.00 0.10 0.00 0.00 175.35 175.98 1v6f h PRO 104 N 0.94 0.52 -1.72 1.78 0.13 -1.99 -2.71 132.00 128.96 1v6f h PRO 104 Ca -0.47 -0.27 0.50 0.00 -0.87 0.00 0.00 66.00 64.89 1v6f h PRO 104 Cb 1.19 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1v6f h PRO 104 CO 0.63 0.86 1.25 1.49 -0.23 0.00 0.00 178.00 181.99 1v6f h GLU 105 N 0.21 0.00 0.04 0.86 4.81 -2.02 0.21 114.58 118.69 1v6f h GLU 105 Ca 0.03 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.94 1v6f h GLU 105 Cb 0.76 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1v6f h GLU 105 CO 0.05 0.00 -1.79 1.04 -0.73 0.00 0.00 179.01 177.58 1v6f n GLN 106 N -4.00 0.64 -0.49 1.92 1.13 -1.17 -3.93 117.38 111.48 1v6f n GLN 106 Ca 0.38 0.39 0.40 0.00 -1.94 0.00 0.00 57.00 56.24 1v6f n GLN 106 Cb 1.77 -1.68 0.69 0.00 0.11 0.00 0.00 30.24 31.14 1v6f n GLN 106 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1v6f h GLN 107 N -0.57 0.07 -0.02 -1.09 1.08 -0.28 0.64 115.11 114.95 1v6f h GLN 107 Ca -0.44 -0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.65 1v6f h GLN 107 Cb 1.64 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 29.06 1v6f h GLN 107 CO -0.13 0.04 -0.39 0.52 -0.95 0.00 0.00 178.83 177.92 1v6f h MET 108 N 0.07 0.29 -0.67 1.46 0.00 -1.57 0.46 114.93 114.96 1v6f h MET 108 Ca 0.81 -0.29 0.04 0.00 0.00 0.00 0.00 59.70 60.26 1v6f h MET 108 Cb 2.78 0.08 -0.04 0.00 0.00 0.00 0.00 31.60 34.42 1v6f h MET 108 CO -0.28 0.98 0.44 1.98 0.00 0.00 0.00 176.91 180.04 1v6f h MET 109 N -0.29 0.76 0.15 1.72 1.85 0.08 -1.98 114.93 117.22 1v6f h MET 109 Ca -0.04 -0.05 -0.34 0.00 -0.61 0.00 0.00 59.70 58.66 1v6f h MET 109 Cb 1.11 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 32.96 1v6f h MET 109 CO 0.08 0.50 -1.78 1.88 -0.40 0.00 0.00 176.91 177.19 1v6f h TYR 110 N 0.78 0.56 0.08 1.39 0.05 -1.09 -3.16 116.97 115.58 1v6f h TYR 110 Ca 0.27 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.64 1v6f h TYR 110 Cb 0.11 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 1v6f h TYR 110 CO -0.00 1.70 -0.24 0.00 -1.05 0.00 0.00 178.16 178.57 1v6f h ALA 111 N 0.05 -0.78 0.24 3.88 0.00 0.17 0.46 119.26 123.28 1v6f h ALA 111 Ca -0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1v6f h ALA 111 Cb 2.00 0.63 0.00 0.00 0.00 0.00 0.00 17.79 20.42 1v6f h ALA 111 CO 0.11 -0.83 -0.13 0.78 0.00 0.00 0.00 179.25 179.18 1v6f h GLY 112 N -0.36 -0.35 0.25 0.00 0.00 -1.52 -2.64 103.07 98.45 1v6f h GLY 112 Ca -0.01 0.14 0.18 0.00 0.00 0.00 0.00 47.33 47.64 1v6f h GLY 112 CO -0.12 -0.13 0.61 1.76 0.00 0.00 0.00 176.54 178.66 1v6f h SER 113 N -0.34 0.71 0.13 0.19 0.02 -1.47 -2.25 113.55 110.54 1v6f h SER 113 Ca -0.03 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1v6f h SER 113 Cb 0.27 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1v6f h SER 113 CO 0.04 0.29 -0.52 0.50 -1.14 0.00 0.00 176.83 176.00 1v6f h LYS 114 N 0.71 -0.73 -0.54 3.45 3.64 0.32 -2.78 116.57 120.64 1v6f h LYS 114 Ca 0.53 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 60.01 1v6f h LYS 114 Cb 0.90 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 1v6f h LYS 114 CO -0.30 -0.49 -0.32 -1.71 -2.27 0.00 0.00 179.45 174.36 1v6f n ASN 115 N -5.49 -0.57 -0.27 4.20 2.85 -0.85 0.96 115.26 116.09 1v6f n ASN 115 Ca -0.08 1.16 0.04 0.00 -0.11 0.00 0.00 54.58 55.59 1v6f n ASN 115 Cb 0.41 -0.23 0.13 0.00 1.24 0.00 0.00 39.78 41.34 1v6f n ASN 115 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1v6f h LYS 116 N 0.00 0.04 0.01 1.20 3.64 -1.57 -0.58 116.57 119.31 1v6f h LYS 116 Ca 0.09 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1v6f h LYS 116 Cb 0.22 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1v6f h LYS 116 CO -0.51 0.03 -0.34 -0.07 -2.27 0.00 0.00 179.45 176.29 1v6f h LEU 117 N 0.04 -1.03 -1.47 5.20 3.38 0.82 0.72 115.31 122.98 1v6f h LEU 117 Ca 0.40 0.13 0.24 0.00 0.09 0.00 0.00 57.88 58.75 1v6f h LEU 117 Cb 0.68 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1v6f h LEU 117 CO -0.75 -0.40 0.92 0.58 0.09 0.00 0.00 178.44 178.88 1v6f h VAL 118 N -0.50 0.15 0.08 1.22 2.07 -0.17 1.02 116.25 120.12 1v6f h VAL 118 Ca 0.06 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.26 1v6f h VAL 118 Cb 0.58 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1v6f h VAL 118 CO -0.27 0.00 -1.73 1.56 0.02 0.00 0.00 177.57 177.15 1v6f h GLN 119 N 0.00 0.16 0.31 1.57 1.08 -0.70 -0.74 115.11 116.79 1v6f h GLN 119 Ca 0.40 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1v6f h GLN 119 Cb 2.24 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.77 1v6f h GLN 119 CO -0.00 0.93 -0.15 1.15 -0.95 0.00 0.00 178.83 179.81 1v6f h THR 120 N 0.04 0.64 0.00 -0.54 2.02 0.22 -2.96 112.91 112.33 1v6f h THR 120 Ca -0.31 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1v6f h THR 120 Cb 2.02 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1v6f h THR 120 CO 0.11 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.12 1v6f n ALA 121 N -2.53 1.98 -3.56 6.16 0.00 -0.18 -4.84 120.51 117.54 1v6f n ALA 121 Ca -0.09 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 1v6f n ALA 121 Cb 0.27 -1.27 0.07 0.00 0.00 0.00 0.00 19.45 18.52 1v6f n ALA 121 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1v6f n GLU 122 N -1.20 -6.79 -3.37 0.00 1.02 -1.12 -4.83 120.64 104.35 1v6f n GLU 122 Ca 0.09 0.79 -0.38 0.00 -0.02 0.00 0.00 57.16 57.65 1v6f n GLU 122 Cb 0.11 -5.76 -0.07 0.00 -0.02 0.00 0.00 31.44 25.71 1v6f n GLU 122 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1v6f s LEU 123 N -6.80 4.23 -0.16 -4.62 1.43 -0.29 -4.98 118.68 107.50 1v6f s LEU 123 Ca 0.26 0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 53.86 1v6f s LEU 123 Cb -0.12 -2.59 -0.23 0.00 0.03 0.00 0.00 46.19 43.28 1v6f s LEU 123 CO 0.75 -0.01 0.36 0.71 0.23 0.00 0.00 176.35 178.39 1v6f h THR 124 N 4.81 0.92 -3.39 5.49 1.35 -1.84 -3.44 112.91 116.81 1v6f h THR 124 Ca -0.39 -2.28 -0.58 0.00 -0.55 0.00 0.00 66.41 62.60 1v6f h THR 124 Cb 1.17 2.47 -0.09 0.00 -1.73 0.00 0.00 68.15 69.97 1v6f h THR 124 CO 0.75 0.56 -0.03 -0.54 -0.25 0.00 0.00 175.52 176.00 1v6f s LYS 125 N -2.43 4.28 -0.20 4.72 3.01 -1.26 -5.03 119.74 122.83 1v6f s LYS 125 Ca -0.25 0.52 -0.01 0.00 -1.01 0.00 0.00 55.97 55.23 1v6f s LYS 125 Cb 0.05 -3.50 0.05 0.00 -1.01 0.00 0.00 37.83 33.42 1v6f s LYS 125 CO 0.68 -0.02 -0.03 0.08 0.51 0.00 0.00 175.35 176.57 1v6f s VAL 126 N 1.19 1.16 0.05 3.17 1.01 -1.26 -0.49 120.40 125.23 1v6f s VAL 126 Ca 0.27 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1v6f s VAL 126 Cb -0.16 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1v6f s VAL 126 CO 0.11 -0.06 -0.14 -0.36 0.00 0.00 0.00 175.10 174.65 1v6f s PHE 127 N 1.58 2.65 -0.00 5.22 0.08 0.38 -4.94 117.98 122.96 1v6f s PHE 127 Ca -0.03 -0.20 0.07 0.00 0.12 0.00 0.00 56.93 56.90 1v6f s PHE 127 Cb -0.17 -1.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 1v6f s PHE 127 CO -0.07 0.31 -0.21 -2.00 -0.10 0.00 0.00 175.22 173.15 1v6f s GLU 128 N -1.59 1.66 -0.08 0.44 -6.30 -1.26 -0.57 118.70 111.00 1v6f s GLU 128 Ca 0.16 -0.82 0.05 0.00 -2.50 0.00 0.00 54.97 51.86 1v6f s GLU 128 Cb -0.11 -1.65 -0.01 0.00 0.00 0.00 0.00 34.13 32.36 1v6f s GLU 128 CO 0.07 0.44 -0.23 0.96 0.02 0.00 0.00 175.26 176.53 1v6f s ILE 129 N -0.58 2.25 0.40 -3.70 -4.36 -0.98 -4.93 121.20 109.31 1v6f s ILE 129 Ca 0.08 -0.98 0.20 0.00 -0.26 0.00 0.00 60.65 59.69 1v6f s ILE 129 Cb -0.08 -1.85 0.21 0.00 1.25 0.00 0.00 42.46 41.99 1v6f s ILE 129 CO -0.00 0.56 1.98 0.08 0.24 0.00 0.00 174.94 177.81 1v6f h ARG 130 N 6.27 0.00 -3.02 0.37 0.11 -1.88 -2.26 114.38 113.97 1v6f h ARG 130 Ca -0.28 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.63 1v6f h ARG 130 Cb 1.20 0.00 -0.26 0.00 1.11 0.00 0.00 29.97 32.01 1v6f h ARG 130 CO 0.48 0.20 -0.40 -0.80 0.10 0.00 0.00 179.97 179.55 1v6f s ASN 131 N -6.57 -0.30 0.57 0.08 -0.87 -1.26 -0.85 114.94 105.74 1v6f s ASN 131 Ca -0.03 0.58 0.33 0.00 -1.57 0.00 0.00 52.86 52.16 1v6f s ASN 131 Cb 0.14 0.55 1.43 0.00 -0.02 0.00 0.00 41.25 43.35 1v6f s ASN 131 CO 0.65 -0.12 1.75 0.71 -2.57 0.00 0.00 177.10 177.53 1v6f h THR 132 N 4.99 0.32 -0.62 1.60 1.35 -1.87 0.29 112.91 118.97 1v6f h THR 132 Ca -0.30 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 1v6f h THR 132 Cb 1.18 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 67.98 1v6f h THR 132 CO 0.34 0.00 0.33 -0.33 -0.25 0.00 0.00 175.52 175.61 1v6f h GLU 133 N 0.00 0.86 -0.87 4.72 5.08 -1.95 -2.32 114.58 120.10 1v6f h GLU 133 Ca 0.44 -0.10 0.18 0.00 -1.00 0.00 0.00 59.36 58.87 1v6f h GLU 133 Cb 2.03 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 31.04 1v6f h GLU 133 CO -0.00 0.66 0.57 -0.44 -1.00 0.00 0.00 179.01 178.80 1v6f h ASP 134 N 0.84 0.47 -0.91 1.42 5.19 -0.82 -3.37 116.42 119.24 1v6f h ASP 134 Ca 0.22 0.04 -0.21 0.00 -0.62 0.00 0.00 57.03 56.45 1v6f h ASP 134 Cb 0.05 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1v6f h ASP 134 CO -0.03 0.21 0.77 -0.11 -3.12 0.00 0.00 179.24 176.95 1v6f n LEU 135 N -4.53 2.00 -4.16 1.55 7.94 -0.87 -4.72 117.00 114.21 1v6f n LEU 135 Ca 0.18 -1.04 -0.10 0.00 -1.11 0.00 0.00 56.01 53.94 1v6f n LEU 135 Cb 0.61 -1.62 -0.10 0.00 0.53 0.00 0.00 43.42 42.85 1v6f n LEU 135 CO 0.30 -2.15 -0.29 0.42 -1.11 0.00 0.00 177.39 174.56 1v6f s THR 136 N 13.58 0.13 0.09 1.96 -4.23 -1.25 -4.28 115.64 121.63 1v6f s THR 136 Ca 0.96 -1.93 -0.31 0.00 -1.18 0.00 0.00 61.69 59.23 1v6f s THR 136 Cb -0.16 -2.11 -0.14 0.00 1.34 0.00 0.00 72.50 71.43 1v6f s THR 136 CO 0.17 -0.41 1.50 -0.08 -0.54 0.00 0.00 174.62 175.26 1v6f h GLU 137 N 2.82 -0.73 -0.99 3.99 4.81 -1.90 -0.52 114.58 122.06 1v6f h GLU 137 Ca -0.35 0.05 0.23 0.00 -0.13 0.00 0.00 59.36 59.15 1v6f h GLU 137 Cb 1.21 0.17 -0.12 0.00 0.63 0.00 0.00 28.75 30.63 1v6f h GLU 137 CO 0.59 -0.49 0.58 1.49 -0.73 0.00 0.00 179.01 180.45 1v6f h GLU 138 N -0.76 0.61 -0.44 1.92 4.81 -1.98 0.59 114.58 119.33 1v6f h GLU 138 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1v6f h GLU 138 Cb 0.72 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1v6f h GLU 138 CO -0.19 0.40 0.24 2.35 -0.73 0.00 0.00 179.01 181.08 1v6f h TRP 139 N 0.62 0.60 0.14 0.92 7.01 -1.61 -2.61 115.95 121.03 1v6f h TRP 139 Ca 0.62 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.61 1v6f h TRP 139 Cb 1.11 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.94 1v6f h TRP 139 CO -0.02 0.46 -0.42 -0.07 -2.79 0.00 0.00 178.44 175.60 1v6f h LEU 140 N 0.58 -1.25 -2.01 0.65 3.38 0.68 0.67 115.31 118.01 1v6f h LEU 140 Ca 0.15 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1v6f h LEU 140 Cb 0.05 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1v6f h LEU 140 CO -0.03 -0.46 0.37 0.03 0.09 0.00 0.00 178.44 178.44 1v6f h ARG 141 N -0.63 0.00 -0.07 1.13 3.08 -1.47 -0.37 114.38 116.05 1v6f h ARG 141 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1v6f h ARG 141 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1v6f h ARG 141 CO -0.21 0.00 -0.09 1.49 -1.07 0.00 0.00 179.97 180.09 1v6f h GLU 142 N 0.00 0.19 -0.50 0.04 4.57 -0.49 -0.52 114.58 117.88 1v6f h GLU 142 Ca 0.08 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1v6f h GLU 142 Cb 0.81 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1v6f h GLU 142 CO -0.00 0.65 0.14 0.87 -1.18 0.00 0.00 179.01 179.49 1v6f h LYS 143 N -0.26 0.78 -0.56 1.92 1.79 -0.36 -2.33 116.57 117.55 1v6f h LYS 143 Ca 0.01 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.20 1v6f h LYS 143 Cb 0.63 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 1v6f h LYS 143 CO 0.02 0.74 -0.05 -0.07 -1.08 0.00 0.00 179.45 179.02 1v6f h LEU 144 N 0.68 0.99 0.00 2.94 3.38 -1.47 -3.25 115.31 118.57 1v6f h LEU 144 Ca 0.16 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1v6f h LEU 144 Cb 0.30 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1v6f h LEU 144 CO -0.00 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.21 1v6f n GLY 145 N -0.39 0.28 3.38 0.83 0.00 -0.20 -4.66 105.19 104.42 1v6f n GLY 145 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 1v6f n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v6f s SER 146 N -1.38 6.88 0.00 1.61 0.15 -0.89 -4.95 113.70 115.12 1v6f s SER 146 Ca 0.00 -2.75 0.00 0.00 0.70 0.00 0.00 55.95 53.90 1v6f s SER 146 Cb 0.00 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1v6f s SER 146 CO 0.00 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1v6f n GLY 147 N 4.12 5.32 3.60 9.45 0.00 -1.23 -4.69 105.19 121.77 1v6f n GLY 147 Ca 0.21 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1v6f n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v6f s PRO 148 N 3.97 3.46 -0.67 1.61 0.04 -1.26 -4.93 135.00 137.21 1v6f s PRO 148 Ca 0.00 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 1v6f s PRO 148 Cb 0.00 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.39 1v6f s PRO 148 CO 0.00 -1.71 1.78 -1.12 0.04 0.00 0.00 177.00 175.99 1v6f s SER 149 N 5.35 5.41 0.07 6.66 0.01 -1.26 -4.97 113.70 124.97 1v6f s SER 149 Ca 0.75 0.07 -0.07 0.00 1.31 0.00 0.00 55.95 58.01 1v6f s SER 149 Cb -0.21 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.43 1v6f s SER 149 CO 0.33 -2.32 0.34 -0.55 0.41 0.00 0.00 173.24 171.45 1v6f s SER 150 N 7.39 6.54 0.00 2.44 0.15 -1.26 -5.32 113.70 123.64 1v6f s SER 150 Ca 0.62 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.92 1v6f s SER 150 Cb -0.11 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1v6f s SER 150 CO 0.17 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.39