#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 7.04 -0.08 1.61 1.04 -1.26 -5.01 113.70 117.04 1v6f s SER 2 Ca 0.00 -3.08 0.03 0.00 0.48 0.00 0.00 55.95 53.38 1v6f s SER 2 Cb 0.00 -2.24 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1v6f s SER 2 CO 0.00 -0.50 -0.17 -0.55 0.98 0.00 0.00 173.24 173.00 1v6f s SER 3 N 1.96 3.73 -0.86 7.02 0.15 -1.26 -5.06 113.70 119.38 1v6f s SER 3 Ca 0.27 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.60 1v6f s SER 3 Cb -0.09 -1.07 0.27 0.00 -1.71 0.00 0.00 66.02 63.43 1v6f s SER 3 CO -0.08 0.26 1.06 0.61 1.20 0.00 0.00 173.24 176.29 1v6f n GLY 4 N 2.86 4.87 3.77 9.45 0.00 -1.26 -5.06 105.19 119.81 1v6f n GLY 4 Ca -0.17 -2.71 -0.37 0.00 0.00 0.00 0.00 46.02 42.77 1v6f n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v6f s SER 5 N -1.88 5.82 -0.20 1.61 0.15 -1.26 -4.99 113.70 112.96 1v6f s SER 5 Ca 0.35 2.37 -0.14 0.00 0.70 0.00 0.00 55.95 59.22 1v6f s SER 5 Cb 0.08 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.70 1v6f s SER 5 CO 0.02 -1.16 -0.32 -1.20 1.20 0.00 0.00 173.24 171.78 1v6f n SER 6 N -0.86 1.80 0.00 5.45 7.64 -1.26 -5.14 113.62 121.25 1v6f n SER 6 Ca 0.09 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1v6f n SER 6 Cb 0.48 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 1.56 0.86 3.80 0.23 0.00 -1.26 -5.02 105.19 105.37 1v6f n GLY 7 Ca -0.30 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.12 5.77 -0.92 1.61 0.01 -1.26 -5.06 113.70 112.73 1v6f s SER 8 Ca 0.00 0.16 -0.15 0.00 1.31 0.00 0.00 55.95 57.27 1v6f s SER 8 Cb 0.00 -1.67 0.19 0.00 0.21 0.00 0.00 66.02 64.74 1v6f s SER 8 CO 0.00 0.26 0.99 -0.70 0.41 0.00 0.00 173.24 174.20 1v6f s GLU 9 N -1.83 3.70 -0.29 12.44 2.56 -1.26 -4.94 118.70 129.08 1v6f s GLU 9 Ca 0.24 -2.29 -0.14 0.00 0.00 0.00 0.00 54.97 52.78 1v6f s GLU 9 Cb -0.12 -4.67 0.13 0.00 2.00 0.00 0.00 34.13 31.47 1v6f s GLU 9 CO 0.15 -1.50 0.83 0.45 -0.56 0.00 0.00 175.26 174.64 1v6f s SER 10 N 2.67 -0.79 0.10 -1.70 0.15 -1.26 -5.17 113.70 107.70 1v6f s SER 10 Ca 0.27 1.16 0.04 0.00 0.70 0.00 0.00 55.95 58.11 1v6f s SER 10 Cb -0.08 1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 65.86 1v6f s SER 10 CO -0.08 -0.17 0.07 -0.76 1.20 0.00 0.00 173.24 173.49 1v6f s LEU 11 N 2.12 3.71 -0.42 3.45 1.43 -1.26 -5.00 118.68 122.72 1v6f s LEU 11 Ca -0.07 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1v6f s LEU 11 Cb -0.07 -2.40 0.11 0.00 0.03 0.00 0.00 46.19 43.87 1v6f s LEU 11 CO -0.18 0.16 0.17 -0.69 0.23 0.00 0.00 176.35 176.04 1v6f s VAL 12 N -1.43 2.83 0.11 -1.59 1.01 -1.25 -5.03 120.40 115.05 1v6f s VAL 12 Ca 0.29 -2.44 0.03 0.00 0.00 0.00 0.00 61.98 59.85 1v6f s VAL 12 Cb -0.12 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1v6f s VAL 12 CO 0.21 -0.69 0.17 0.54 0.00 0.00 0.00 175.10 175.33 1v6f s VAL 13 N 0.73 4.90 0.34 2.92 0.11 -1.26 -4.13 120.40 124.00 1v6f s VAL 13 Ca 0.11 -0.73 0.07 0.00 -2.93 0.00 0.00 61.98 58.50 1v6f s VAL 13 Cb -0.21 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 1v6f s VAL 13 CO -0.05 0.03 0.25 0.00 -3.33 0.00 0.00 175.10 171.99 1v6f s ASP 15 N -3.31 4.92 -0.17 0.00 1.11 -1.26 -4.91 116.67 113.05 1v6f s ASP 15 Ca 0.35 -0.59 -0.18 0.00 0.18 0.00 0.00 52.55 52.31 1v6f s ASP 15 Cb 0.02 -0.93 -0.04 0.00 1.07 0.00 0.00 42.92 43.04 1v6f s ASP 15 CO 0.25 -0.19 0.47 0.68 1.18 0.00 0.00 175.17 177.57 1v6f s VAL 16 N -2.32 5.16 0.20 -1.27 -7.23 -1.26 -0.86 120.40 112.81 1v6f s VAL 16 Ca 0.36 0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 61.12 1v6f s VAL 16 Cb -0.05 -3.80 -0.09 0.00 0.56 0.00 0.00 36.38 33.00 1v6f s VAL 16 CO 0.23 0.25 1.34 0.00 -0.31 0.00 0.00 175.10 176.61 1v6f s ALA 17 N 1.18 3.55 0.38 1.32 0.00 0.77 -4.82 121.76 124.14 1v6f s ALA 17 Ca 0.23 1.14 0.13 0.00 0.00 0.00 0.00 51.96 53.47 1v6f s ALA 17 Cb -0.15 -3.50 0.95 0.00 0.00 0.00 0.00 23.12 20.42 1v6f s ALA 17 CO 0.09 -0.58 1.84 1.05 0.00 0.00 0.00 175.76 178.16 1v6f h GLU 18 N 5.47 0.53 -0.12 0.00 4.11 -1.97 0.37 114.58 122.97 1v6f h GLU 18 Ca -0.45 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 58.99 1v6f h GLU 18 Cb 1.21 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1v6f h GLU 18 CO 0.78 0.35 0.09 -0.44 0.07 0.00 0.00 179.01 179.87 1v6f h ASP 19 N 0.55 0.00 0.00 3.06 5.19 -1.94 -2.23 116.42 121.05 1v6f h ASP 19 Ca 0.50 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.63 1v6f h ASP 19 Cb 1.03 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.50 1v6f h ASP 19 CO -0.23 0.00 -1.53 -0.11 -3.12 0.00 0.00 179.24 174.24 1v6f n LEU 20 N -4.39 1.88 -0.27 1.55 7.94 0.11 -4.35 117.00 119.47 1v6f n LEU 20 Ca -0.00 0.41 -0.02 0.00 -1.11 0.00 0.00 56.01 55.29 1v6f n LEU 20 Cb 0.21 -0.93 0.04 0.00 0.53 0.00 0.00 43.42 43.27 1v6f n LEU 20 CO 0.34 0.32 0.63 0.58 -1.11 0.00 0.00 177.39 178.15 1v6f h VAL 21 N -1.00 0.13 -0.92 1.96 2.07 -0.80 0.24 116.25 117.93 1v6f h VAL 21 Ca -0.42 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.36 1v6f h VAL 21 Cb 1.35 0.13 -0.16 0.00 -1.52 0.00 0.00 31.29 31.09 1v6f h VAL 21 CO -0.25 0.00 0.14 1.05 0.02 0.00 0.00 177.57 178.53 1v6f h GLU 22 N -0.08 0.09 -0.18 1.57 4.11 -1.61 0.33 114.58 118.81 1v6f h GLU 22 Ca 0.30 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.72 1v6f h GLU 22 Cb 0.58 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1v6f h GLU 22 CO -0.81 0.06 0.08 0.87 0.07 0.00 0.00 179.01 179.29 1v6f h LYS 23 N 0.10 0.27 -0.39 1.06 1.57 -0.73 -2.56 116.57 115.89 1v6f h LYS 23 Ca 0.57 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.35 1v6f h LYS 23 Cb 1.19 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 1v6f h LYS 23 CO -0.78 0.31 0.15 -0.07 -0.57 0.00 0.00 179.45 178.50 1v6f h LEU 24 N 0.16 0.19 -0.48 2.94 3.38 -0.00 -0.79 115.31 120.71 1v6f h LEU 24 Ca 0.06 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1v6f h LEU 24 Cb 0.14 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1v6f h LEU 24 CO -0.01 0.15 0.08 0.03 0.09 0.00 0.00 178.44 178.78 1v6f h ARG 25 N 0.32 0.21 -0.78 1.13 3.08 -0.82 -1.49 114.38 116.03 1v6f h ARG 25 Ca 0.17 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1v6f h ARG 25 Cb 0.13 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1v6f h ARG 25 CO -0.16 0.14 0.29 0.87 -1.07 0.00 0.00 179.97 180.03 1v6f h LYS 26 N 0.21 1.18 -0.64 0.04 1.79 -1.02 -2.84 116.57 115.29 1v6f h LYS 26 Ca 0.24 -0.23 0.10 0.00 -2.18 0.00 0.00 60.65 58.58 1v6f h LYS 26 Cb 0.32 -0.18 -0.12 0.00 -1.58 0.00 0.00 32.23 30.67 1v6f h LYS 26 CO -0.32 0.97 -0.40 0.35 -1.08 0.00 0.00 179.45 178.97 1v6f h PHE 27 N 1.14 -1.16 -0.30 -1.35 3.04 -0.07 1.61 116.94 119.86 1v6f h PHE 27 Ca 0.26 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.28 1v6f h PHE 27 Cb 0.25 0.60 -0.01 0.00 2.56 0.00 0.00 35.95 39.34 1v6f h PHE 27 CO 0.02 -0.41 0.14 0.00 -2.02 0.00 0.00 178.31 176.04 1v6f h ARG 28 N -0.17 0.44 -1.07 1.11 2.47 -1.44 -2.58 114.38 113.13 1v6f h ARG 28 Ca 0.22 -0.07 -0.38 0.00 -1.26 0.00 0.00 59.98 58.48 1v6f h ARG 28 Cb 0.56 -0.08 -0.21 0.00 -1.65 0.00 0.00 29.97 28.59 1v6f h ARG 28 CO -0.73 0.42 0.49 1.19 0.56 0.00 0.00 179.97 181.90 1v6f n PHE 29 N -4.77 2.15 -2.10 3.04 3.72 -0.23 -4.96 117.46 114.31 1v6f n PHE 29 Ca -0.02 -1.65 -0.41 0.00 -0.05 0.00 0.00 57.45 55.32 1v6f n PHE 29 Cb 0.11 -0.83 -0.02 0.00 -0.94 0.00 0.00 39.48 37.80 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 -2.36 4.33 -0.26 -1.08 1.70 0.53 -4.90 118.95 116.91 1v6f s ARG 30 Ca 0.41 2.20 0.13 0.00 -0.47 0.00 0.00 55.73 58.00 1v6f s ARG 30 Cb 0.34 -3.12 0.79 0.00 -0.57 0.00 0.00 34.95 32.38 1v6f s ARG 30 CO 0.06 -0.30 1.76 0.36 -1.08 0.00 0.00 175.30 176.09 1v6f n LYS 31 N 1.96 4.47 -2.95 3.89 0.00 -1.26 -4.96 118.16 119.32 1v6f n LYS 31 Ca 0.05 -3.14 -0.20 0.00 -0.00 0.00 0.00 58.31 55.02 1v6f n LYS 31 Cb 0.41 -2.24 0.06 0.00 -0.00 0.00 0.00 35.03 33.26 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 -2.85 2.31 -0.06 -1.58 0.41 -1.26 -5.06 118.70 110.61 1v6f s GLU 32 Ca 0.54 -1.45 0.02 0.00 -0.41 0.00 0.00 54.97 53.67 1v6f s GLU 32 Cb 0.42 -2.61 -0.05 0.00 -1.78 0.00 0.00 34.13 30.11 1v6f s GLU 32 CO 0.15 -0.84 -0.04 2.41 -0.49 0.00 0.00 175.26 176.45 1v6f n THR 33 N -2.27 0.36 -0.93 3.63 -1.04 -1.26 -5.05 114.28 107.72 1v6f n THR 33 Ca 0.14 -0.16 -0.31 0.00 -2.04 0.00 0.00 64.05 61.68 1v6f n THR 33 Cb 0.61 -0.77 0.26 0.00 -1.82 0.00 0.00 70.33 68.61 1v6f n THR 33 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1v6f s HIS 34 N -2.13 -0.10 0.90 -1.42 -3.43 -1.26 -5.05 115.29 102.80 1v6f s HIS 34 Ca -0.07 0.40 -0.10 0.00 -0.80 0.00 0.00 55.06 54.49 1v6f s HIS 34 Cb 0.02 -3.38 0.20 0.00 -1.43 0.00 0.00 32.58 27.99 1v6f s HIS 34 CO 0.17 -4.30 1.22 0.09 -2.00 0.00 0.00 174.74 169.92 1v6f n ASN 35 N -5.05 0.62 -3.45 7.38 4.13 -1.26 -4.83 115.26 112.80 1v6f n ASN 35 Ca 0.15 -1.77 -0.11 0.00 1.68 0.00 0.00 54.58 54.53 1v6f n ASN 35 Cb 0.60 -0.89 -0.02 0.00 -1.54 0.00 0.00 39.78 37.93 1v6f n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1v6f s ALA 36 N -3.66 -1.67 -0.18 5.41 0.00 -1.26 -1.11 121.76 119.29 1v6f s ALA 36 Ca 0.73 0.66 -0.06 0.00 0.00 0.00 0.00 51.96 53.29 1v6f s ALA 36 Cb -0.03 0.73 0.09 0.00 0.00 0.00 0.00 23.12 23.91 1v6f s ALA 36 CO 0.50 -0.74 0.38 0.00 0.00 0.00 0.00 175.76 175.90 1v6f s ALA 37 N -3.53 -1.01 -0.23 0.00 0.00 -1.03 -3.15 121.76 112.81 1v6f s ALA 37 Ca 0.02 1.35 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 1v6f s ALA 37 Cb -0.01 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1v6f s ALA 37 CO -0.12 -0.75 -0.01 0.42 0.00 0.00 0.00 175.76 175.30 1v6f s ILE 38 N 2.57 3.55 0.05 0.00 1.01 -0.87 -0.13 121.20 127.37 1v6f s ILE 38 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 1v6f s ILE 38 Cb -0.12 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1v6f s ILE 38 CO -0.12 0.37 0.20 -0.63 0.00 0.00 0.00 174.94 174.76 1v6f s ILE 39 N 1.49 5.36 0.02 2.92 1.01 -0.70 -0.40 121.20 130.91 1v6f s ILE 39 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 1v6f s ILE 39 Cb -0.15 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1v6f s ILE 39 CO -0.02 0.17 -0.02 -0.04 0.00 0.00 0.00 174.94 175.04 1v6f s MET 40 N -2.40 0.37 0.12 2.79 -1.94 -0.55 -1.16 119.30 116.54 1v6f s MET 40 Ca 0.33 -0.69 -0.06 0.00 -1.71 0.00 0.00 55.69 53.56 1v6f s MET 40 Cb -0.13 0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.83 1v6f s MET 40 CO 0.26 -0.07 0.17 -1.59 -0.01 0.00 0.00 175.02 173.78 1v6f s LYS 41 N -1.85 0.95 -0.04 2.03 0.00 -1.15 -2.67 119.74 117.02 1v6f s LYS 41 Ca -0.12 -1.18 0.06 0.00 0.00 0.00 0.00 55.97 54.73 1v6f s LYS 41 Cb -0.07 0.32 -0.02 0.00 0.00 0.00 0.00 37.83 38.06 1v6f s LYS 41 CO -0.02 -0.31 -0.20 0.42 0.00 0.00 0.00 175.35 175.24 1v6f s ILE 42 N -3.95 2.56 0.40 3.79 1.01 -1.26 -2.51 121.20 121.25 1v6f s ILE 42 Ca 0.14 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1v6f s ILE 42 Cb 0.05 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.57 1v6f s ILE 42 CO -0.04 0.59 0.55 -0.62 0.00 0.00 0.00 174.94 175.42 1v6f s ASP 43 N -0.66 5.72 0.01 3.58 -1.08 -1.26 -5.00 116.67 117.98 1v6f s ASP 43 Ca 0.10 -0.35 0.04 0.00 -0.52 0.00 0.00 52.55 51.83 1v6f s ASP 43 Cb -0.10 -0.80 -0.24 0.00 -1.46 0.00 0.00 42.92 40.31 1v6f s ASP 43 CO -0.00 -0.70 0.87 0.07 0.52 0.00 0.00 175.17 175.93 1v6f h LYS 44 N 0.68 0.11 0.05 4.34 2.10 -1.99 -3.02 116.57 118.84 1v6f h LYS 44 Ca -0.41 -0.18 -0.38 0.00 -2.00 0.00 0.00 60.65 57.67 1v6f h LYS 44 Cb 1.27 0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 32.62 1v6f h LYS 44 CO 0.47 0.89 -2.28 -0.25 -2.00 0.00 0.00 179.45 176.28 1v6f n ASP 45 N -3.30 2.04 0.26 7.07 8.00 -1.26 -4.25 116.55 125.11 1v6f n ASP 45 Ca -0.13 0.01 0.15 0.00 0.71 0.00 0.00 54.79 55.53 1v6f n ASP 45 Cb 1.02 -0.61 0.61 0.00 -0.02 0.00 0.00 41.12 42.13 1v6f n ASP 45 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1v6f h GLU 46 N -0.01 0.00 -4.97 -1.24 4.39 -1.99 -3.45 114.58 107.32 1v6f h GLU 46 Ca -0.52 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 58.90 1v6f h GLU 46 Cb 1.94 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 30.42 1v6f h GLU 46 CO -0.03 0.08 -0.40 2.89 -1.16 0.00 0.00 179.01 180.39 1v6f n ARG 47 N -3.22 -1.21 -3.77 2.33 -4.01 -1.14 -4.82 116.66 100.83 1v6f n ARG 47 Ca 0.00 0.06 -0.13 0.00 -1.04 0.00 0.00 57.85 56.75 1v6f n ARG 47 Cb 0.34 -2.83 -0.12 0.00 -3.04 0.00 0.00 32.46 26.82 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 -4.31 0.83 -0.11 2.89 2.96 -1.26 -4.39 118.68 115.29 1v6f s LEU 48 Ca 0.37 0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 54.50 1v6f s LEU 48 Cb -0.22 0.82 -0.04 0.00 0.50 0.00 0.00 46.19 47.25 1v6f s LEU 48 CO 0.45 -0.11 1.63 -0.69 -1.32 0.00 0.00 176.35 176.31 1v6f s VAL 49 N 0.52 3.64 0.32 1.68 1.01 -0.04 -4.28 120.40 123.26 1v6f s VAL 49 Ca -0.03 0.76 0.09 0.00 0.00 0.00 0.00 61.98 62.80 1v6f s VAL 49 Cb -0.05 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1v6f s VAL 49 CO -0.03 -0.12 -0.11 0.68 0.00 0.00 0.00 175.10 175.52 1v6f s VAL 50 N 4.42 2.17 0.04 2.92 -7.23 -1.04 -0.16 120.40 121.52 1v6f s VAL 50 Ca 0.72 -2.23 -0.31 0.00 -1.81 0.00 0.00 61.98 58.36 1v6f s VAL 50 Cb -0.30 -2.54 -0.07 0.00 0.56 0.00 0.00 36.38 34.02 1v6f s VAL 50 CO 0.29 -0.26 1.46 -0.22 -0.31 0.00 0.00 175.10 176.06 1v6f s LEU 51 N -3.56 4.34 -0.18 1.32 1.98 -1.26 -2.91 118.68 118.40 1v6f s LEU 51 Ca 0.31 2.26 -0.13 0.00 -2.89 0.00 0.00 54.13 53.68 1v6f s LEU 51 Cb 0.01 -3.57 -0.21 0.00 0.66 0.00 0.00 46.19 43.09 1v6f s LEU 51 CO 0.15 -0.75 0.18 -0.67 -1.89 0.00 0.00 176.35 173.38 1v6f n ASP 52 N 5.09 1.99 -3.60 3.68 2.03 -0.31 -4.90 116.55 120.52 1v6f n ASP 52 Ca 0.13 0.28 -0.04 0.00 0.52 0.00 0.00 54.79 55.68 1v6f n ASP 52 Cb 0.42 -0.86 -0.02 0.00 -0.72 0.00 0.00 41.12 39.94 1v6f n ASP 52 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1v6f s GLU 53 N -2.47 0.31 -0.11 -0.67 -1.05 -1.21 -5.00 118.70 108.50 1v6f s GLU 53 Ca -0.28 -0.10 0.01 0.00 -0.15 0.00 0.00 54.97 54.46 1v6f s GLU 53 Cb 0.07 0.14 0.02 0.00 -0.44 0.00 0.00 34.13 33.92 1v6f s GLU 53 CO 0.65 -0.13 -0.14 -1.21 0.95 0.00 0.00 175.26 175.38 1v6f s GLU 54 N -2.30 2.10 0.15 -4.83 2.02 -1.26 -1.72 118.70 112.86 1v6f s GLU 54 Ca 0.09 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.61 1v6f s GLU 54 Cb -0.01 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 1v6f s GLU 54 CO -0.05 -0.08 0.14 -0.51 0.02 0.00 0.00 175.26 174.78 1v6f s LEU 55 N 1.05 3.87 0.02 1.80 1.02 0.81 -4.98 118.68 122.28 1v6f s LEU 55 Ca -0.06 -0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.05 1v6f s LEU 55 Cb -0.15 -2.49 -0.01 0.00 0.02 0.00 0.00 46.19 43.56 1v6f s LEU 55 CO -0.02 0.08 -0.09 -1.61 0.02 0.00 0.00 176.35 174.74 1v6f s GLU 56 N -3.00 0.62 -1.37 1.70 2.02 -1.26 -2.45 118.70 114.96 1v6f s GLU 56 Ca 0.31 -0.51 -0.12 0.00 0.02 0.00 0.00 54.97 54.67 1v6f s GLU 56 Cb -0.11 -0.54 0.01 0.00 0.10 0.00 0.00 34.13 33.59 1v6f s GLU 56 CO 0.24 0.13 0.38 0.41 0.02 0.00 0.00 175.26 176.44 1v6f n GLY 57 N 2.25 -0.45 3.83 -1.39 0.00 -0.27 -4.92 105.19 104.26 1v6f n GLY 57 Ca -0.17 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.94 2.12 0.26 1.61 -7.23 -1.26 -4.88 120.40 107.07 1v6f s VAL 58 Ca 0.20 -1.54 0.11 0.00 -1.81 0.00 0.00 61.98 58.93 1v6f s VAL 58 Cb -0.10 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1v6f s VAL 58 CO 0.95 0.00 -0.12 -0.44 -0.31 0.00 0.00 175.10 175.18 1v6f s SER 59 N -4.10 3.99 0.22 4.85 0.01 -1.26 -4.70 113.70 112.71 1v6f s SER 59 Ca 0.39 -0.83 0.22 0.00 1.31 0.00 0.00 55.95 57.04 1v6f s SER 59 Cb -0.00 -0.54 0.92 0.00 0.21 0.00 0.00 66.02 66.61 1v6f s SER 59 CO 0.23 0.04 1.67 -0.81 0.41 0.00 0.00 173.24 174.77 1v6f n PRO 60 N -0.57 0.16 -0.02 12.44 -0.04 -1.26 -0.42 135.00 145.30 1v6f n PRO 60 Ca -0.07 0.40 -0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1v6f n PRO 60 Cb 0.59 -1.81 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 1v6f n PRO 60 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1v6f n ASP 61 N -2.12 0.45 -0.03 3.54 5.68 -1.26 -3.61 116.55 119.20 1v6f n ASP 61 Ca 0.02 0.20 -0.05 0.00 -0.50 0.00 0.00 54.79 54.46 1v6f n ASP 61 Cb 0.22 0.74 -0.13 0.00 -1.14 0.00 0.00 41.12 40.80 1v6f n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1v6f n GLU 62 N -2.74 0.65 0.09 0.11 1.02 -1.02 -4.36 120.64 114.39 1v6f n GLU 62 Ca -0.16 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 1v6f n GLU 62 Cb 0.89 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.24 -1.99 -4.62 5.85 -0.93 -1.80 115.31 111.58 1v6f h LEU 63 Ca -0.32 0.02 0.36 0.00 0.84 0.00 0.00 57.88 58.78 1v6f h LEU 63 Cb 1.89 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.96 1v6f h LEU 63 CO 0.05 -0.15 0.91 0.07 -0.34 0.00 0.00 178.44 178.98 1v6f h LYS 64 N -0.21 0.00 -0.74 1.25 2.10 -1.76 0.58 116.57 117.79 1v6f h LYS 64 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1v6f h LYS 64 Cb 0.20 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.50 1v6f h LYS 64 CO -0.03 0.00 0.30 0.22 -2.00 0.00 0.00 179.45 177.94 1v6f h ASP 65 N 0.00 1.01 -0.01 7.07 1.82 -1.54 -1.37 116.42 123.40 1v6f h ASP 65 Ca 0.59 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 1v6f h ASP 65 Cb 2.40 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 42.15 1v6f h ASP 65 CO -0.01 0.90 0.00 -0.62 -1.61 0.00 0.00 179.24 177.90 1v6f n GLU 66 N -4.29 1.04 -4.32 0.28 -0.58 0.20 -4.79 120.64 108.19 1v6f n GLU 66 Ca 0.07 -0.05 -0.29 0.00 -0.42 0.00 0.00 57.16 56.46 1v6f n GLU 66 Cb 0.18 -1.13 -0.11 0.00 -0.57 0.00 0.00 31.44 29.81 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 -0.78 2.66 0.35 -4.62 1.43 -0.52 -5.12 118.68 112.08 1v6f s LEU 67 Ca 0.01 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.24 1v6f s LEU 67 Cb 0.01 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 1v6f s LEU 67 CO 0.01 0.17 1.21 -2.16 0.23 0.00 0.00 176.35 175.81 1v6f s PRO 68 N -2.18 4.29 -0.16 1.29 0.04 -1.26 -4.95 135.00 132.07 1v6f s PRO 68 Ca 0.18 1.99 0.16 0.00 0.04 0.00 0.00 61.00 63.36 1v6f s PRO 68 Cb -0.10 -2.94 0.57 0.00 0.04 0.00 0.00 34.50 32.07 1v6f s PRO 68 CO 0.10 -0.16 1.48 -0.85 0.04 0.00 0.00 177.00 177.61 1v6f n GLU 69 N 0.59 3.34 0.00 4.56 0.28 -1.26 -4.50 120.64 123.65 1v6f n GLU 69 Ca 0.01 -2.81 0.00 0.00 -0.16 0.00 0.00 57.16 54.21 1v6f n GLU 69 Cb 0.44 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.46 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 -0.05 0.64 -4.53 3.44 1.74 -1.26 -4.72 116.66 111.92 1v6f n ARG 70 Ca 0.22 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.00 1v6f n ARG 70 Cb 0.89 -0.72 -0.13 0.00 -1.02 0.00 0.00 32.46 31.48 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 -1.45 1.63 0.16 5.56 -0.21 -1.26 -3.15 119.66 120.94 1v6f s GLN 71 Ca 0.00 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 53.85 1v6f s GLN 71 Cb 0.00 -1.98 -0.08 0.00 1.00 0.00 0.00 33.01 31.94 1v6f s GLN 71 CO 0.00 0.48 1.33 -1.25 -2.12 0.00 0.00 175.29 173.72 1v6f s PRO 72 N -1.81 4.37 0.09 2.91 0.04 -1.26 -4.58 135.00 134.75 1v6f s PRO 72 Ca 0.14 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.24 1v6f s PRO 72 Cb -0.10 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1v6f s PRO 72 CO 0.06 -0.31 -0.07 0.50 0.04 0.00 0.00 177.00 177.22 1v6f s ARG 73 N 0.36 0.79 -0.09 4.56 6.06 -0.19 -5.01 118.95 125.43 1v6f s ARG 73 Ca 0.59 -1.22 -0.10 0.00 -2.50 0.00 0.00 55.73 52.50 1v6f s ARG 73 Cb -0.36 -0.26 -0.05 0.00 0.06 0.00 0.00 34.95 34.34 1v6f s ARG 73 CO 0.35 0.01 0.22 -0.06 -2.50 0.00 0.00 175.30 173.32 1v6f s PHE 74 N -3.12 3.62 -0.15 5.12 0.08 -1.09 -2.53 117.98 119.90 1v6f s PHE 74 Ca 0.08 0.65 -0.07 0.00 0.12 0.00 0.00 56.93 57.71 1v6f s PHE 74 Cb 0.02 -2.06 0.06 0.00 -0.57 0.00 0.00 43.02 40.47 1v6f s PHE 74 CO -0.03 0.67 0.34 0.42 -0.10 0.00 0.00 175.22 176.52 1v6f s ILE 75 N -0.92 -0.24 -0.46 0.64 1.09 -1.23 -1.48 121.20 118.60 1v6f s ILE 75 Ca 0.17 0.16 -0.07 0.00 -1.10 0.00 0.00 60.65 59.81 1v6f s ILE 75 Cb -0.13 -0.53 0.12 0.00 -1.06 0.00 0.00 42.46 40.85 1v6f s ILE 75 CO 0.06 0.07 0.31 -0.69 -0.10 0.00 0.00 174.94 174.59 1v6f s VAL 76 N 1.84 3.96 0.22 2.92 1.01 0.46 -2.10 120.40 128.70 1v6f s VAL 76 Ca -0.06 -1.88 0.05 0.00 0.00 0.00 0.00 61.98 60.10 1v6f s VAL 76 Cb -0.10 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1v6f s VAL 76 CO -0.11 -0.76 0.29 -0.47 0.00 0.00 0.00 175.10 174.05 1v6f s TYR 77 N 1.28 3.36 -0.36 5.22 5.04 -1.19 -2.05 117.35 128.65 1v6f s TYR 77 Ca 0.07 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 1v6f s TYR 77 Cb -0.25 -1.55 0.12 0.00 0.35 0.00 0.00 41.96 40.63 1v6f s TYR 77 CO -0.02 0.48 0.16 0.45 -1.34 0.00 0.00 175.55 175.28 1v6f s SER 78 N -3.71 3.77 1.00 4.32 0.15 -1.19 -2.55 113.70 115.50 1v6f s SER 78 Ca 0.34 -2.05 -0.12 0.00 0.70 0.00 0.00 55.95 54.81 1v6f s SER 78 Cb -0.09 -0.87 0.19 0.00 -1.71 0.00 0.00 66.02 63.54 1v6f s SER 78 CO 0.27 -0.35 1.08 -0.47 1.20 0.00 0.00 173.24 174.98 1v6f s TYR 79 N 1.11 2.03 -0.40 3.44 5.04 -1.24 -4.52 117.35 122.80 1v6f s TYR 79 Ca 0.13 1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 55.83 1v6f s TYR 79 Cb -0.21 -3.22 0.11 0.00 0.35 0.00 0.00 41.96 38.99 1v6f s TYR 79 CO -0.13 -2.93 0.18 0.21 -1.34 0.00 0.00 175.55 171.53 1v6f s LYS 80 N -4.89 1.90 -0.75 4.97 2.20 -1.26 -3.34 119.74 118.57 1v6f s LYS 80 Ca 0.65 -1.88 -0.20 0.00 -0.36 0.00 0.00 55.97 54.18 1v6f s LYS 80 Cb -0.19 -3.50 0.11 0.00 -1.51 0.00 0.00 37.83 32.73 1v6f s LYS 80 CO 0.58 -1.05 0.95 -0.47 -0.36 0.00 0.00 175.35 175.01 1v6f s TYR 81 N 1.01 2.95 0.29 4.03 6.14 -0.12 -4.96 117.35 126.69 1v6f s TYR 81 Ca 0.09 -1.01 -0.26 0.00 0.64 0.00 0.00 57.07 56.53 1v6f s TYR 81 Cb -0.22 -4.21 -0.10 0.00 0.42 0.00 0.00 41.96 37.86 1v6f s TYR 81 CO -0.05 -1.48 0.92 -1.14 0.64 0.00 0.00 175.55 174.43 1v6f s GLN 82 N 3.09 4.60 -0.13 4.97 2.00 -1.26 -2.32 119.66 130.61 1v6f s GLN 82 Ca 0.23 1.31 -0.02 0.00 -2.00 0.00 0.00 55.36 54.88 1v6f s GLN 82 Cb -0.14 -2.90 -0.03 0.00 0.80 0.00 0.00 33.01 30.74 1v6f s GLN 82 CO 0.01 0.34 -0.05 -1.01 -0.50 0.00 0.00 175.29 174.08 1v6f s HIS 83 N -1.52 2.99 0.20 1.67 3.76 0.22 -4.96 115.29 117.65 1v6f s HIS 83 Ca 0.47 -0.23 -0.21 0.00 -0.15 0.00 0.00 55.06 54.94 1v6f s HIS 83 Cb -0.20 -1.88 0.15 0.00 1.11 0.00 0.00 32.58 31.76 1v6f s HIS 83 CO 0.25 0.06 1.50 -3.47 -0.85 0.00 0.00 174.74 172.23 1v6f n ASP 84 N 3.15 -0.74 -0.28 1.40 2.03 -1.26 0.75 116.55 121.61 1v6f n ASP 84 Ca -0.18 1.70 0.25 0.00 0.52 0.00 0.00 54.79 57.08 1v6f n ASP 84 Cb 0.53 -0.34 0.46 0.00 -0.72 0.00 0.00 41.12 41.04 1v6f n ASP 84 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1v6f n ASP 85 N -5.37 0.23 0.00 1.67 2.03 -1.26 -4.72 116.55 109.13 1v6f n ASP 85 Ca 0.08 1.42 0.00 0.00 0.52 0.00 0.00 54.79 56.80 1v6f n ASP 85 Cb 0.35 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1v6f n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1v6f n GLY 86 N -1.26 1.32 3.78 0.27 0.00 0.23 -5.13 105.19 104.40 1v6f n GLY 86 Ca 0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 4.22 -0.05 1.61 3.52 -1.23 -4.74 118.95 122.29 1v6f s ARG 87 Ca 0.00 1.47 -0.02 0.00 -0.13 0.00 0.00 55.73 57.05 1v6f s ARG 87 Cb 0.00 -2.56 0.04 0.00 -1.56 0.00 0.00 34.95 30.87 1v6f s ARG 87 CO 0.00 -0.08 0.11 0.54 -0.81 0.00 0.00 175.30 175.06 1v6f s VAL 88 N -1.68 -0.06 0.13 7.11 0.11 -1.26 0.70 120.40 125.46 1v6f s VAL 88 Ca 0.57 0.20 0.09 0.00 -2.93 0.00 0.00 61.98 59.90 1v6f s VAL 88 Cb -0.21 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1v6f s VAL 88 CO 0.26 0.08 -0.20 -0.94 -3.33 0.00 0.00 175.10 170.97 1v6f s SER 89 N 1.18 2.69 -0.65 3.54 1.04 -0.98 -4.96 113.70 115.56 1v6f s SER 89 Ca -0.09 -0.77 -0.08 0.00 0.48 0.00 0.00 55.95 55.49 1v6f s SER 89 Cb -0.12 -0.16 0.17 0.00 0.10 0.00 0.00 66.02 66.01 1v6f s SER 89 CO -0.05 0.03 0.52 -0.31 0.98 0.00 0.00 173.24 174.41 1v6f s TYR 90 N -1.52 3.53 -0.06 5.02 2.02 -1.26 -0.95 117.35 124.13 1v6f s TYR 90 Ca 0.11 -2.24 -0.30 0.00 -0.37 0.00 0.00 57.07 54.27 1v6f s TYR 90 Cb -0.08 -3.49 -0.05 0.00 -0.40 0.00 0.00 41.96 37.94 1v6f s TYR 90 CO 0.06 -0.93 1.50 -1.25 -1.57 0.00 0.00 175.55 173.35 1v6f s PRO 91 N 0.41 4.22 -0.06 -1.71 0.04 -1.21 -4.82 135.00 131.86 1v6f s PRO 91 Ca 0.14 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 1v6f s PRO 91 Cb -0.19 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 1v6f s PRO 91 CO -0.04 -0.74 1.10 -0.51 0.04 0.00 0.00 177.00 176.85 1v6f s LEU 92 N 3.40 4.28 0.10 -3.56 2.01 -1.26 -3.71 118.68 119.94 1v6f s LEU 92 Ca 0.67 1.70 0.04 0.00 0.01 0.00 0.00 54.13 56.55 1v6f s LEU 92 Cb -0.31 -3.56 -0.04 0.00 0.01 0.00 0.00 46.19 42.30 1v6f s LEU 92 CO 0.25 -0.48 -0.12 0.00 1.01 0.00 0.00 176.35 177.02 1v6f s PHE 94 N -2.23 3.17 -0.49 0.00 2.19 0.67 -3.14 117.98 118.14 1v6f s PHE 94 Ca 0.06 -0.66 -0.14 0.00 0.33 0.00 0.00 56.93 56.52 1v6f s PHE 94 Cb -0.04 -2.33 0.11 0.00 -1.31 0.00 0.00 43.02 39.44 1v6f s PHE 94 CO 0.01 -0.48 0.41 0.42 1.83 0.00 0.00 175.22 177.41 1v6f s ILE 95 N 1.59 4.88 -1.04 3.12 1.01 -0.89 -0.13 121.20 129.74 1v6f s ILE 95 Ca 0.04 -1.43 -0.23 0.00 0.00 0.00 0.00 60.65 59.03 1v6f s ILE 95 Cb -0.17 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.27 1v6f s ILE 95 CO 0.05 -0.73 1.55 0.12 0.00 0.00 0.00 174.94 175.93 1v6f s PHE 96 N 1.54 2.46 -0.56 3.97 5.36 0.10 -3.53 117.98 127.33 1v6f s PHE 96 Ca 0.04 -0.73 -0.27 0.00 -0.96 0.00 0.00 56.93 55.01 1v6f s PHE 96 Cb -0.27 -4.62 -0.02 0.00 -0.34 0.00 0.00 43.02 37.77 1v6f s PHE 96 CO 0.03 -1.89 1.88 0.45 -1.46 0.00 0.00 175.22 174.23 1v6f s SER 97 N 5.28 5.33 -0.32 6.13 0.15 -1.05 -2.68 113.70 126.54 1v6f s SER 97 Ca 0.50 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.71 1v6f s SER 97 Cb -0.00 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.87 1v6f s SER 97 CO -0.07 -2.29 0.05 -0.94 1.20 0.00 0.00 173.24 171.19 1v6f s SER 98 N 7.98 4.44 0.08 5.45 1.04 -0.71 -1.02 113.70 130.96 1v6f s SER 98 Ca 0.71 -1.88 -0.31 0.00 0.48 0.00 0.00 55.95 54.95 1v6f s SER 98 Cb -0.14 -1.35 -0.07 0.00 0.10 0.00 0.00 66.02 64.56 1v6f s SER 98 CO 0.23 -0.37 1.38 -2.16 0.98 0.00 0.00 173.24 173.30 1v6f s PRO 99 N 1.18 4.32 0.59 4.02 0.04 -1.26 -3.85 135.00 140.04 1v6f s PRO 99 Ca 0.08 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.44 1v6f s PRO 99 Cb -0.18 -3.35 1.42 0.00 0.04 0.00 0.00 34.50 32.43 1v6f s PRO 99 CO -0.13 -0.46 1.83 0.28 0.04 0.00 0.00 177.00 178.55 1v6f h VAL 100 N 4.47 0.33 -0.01 -0.36 2.07 -1.02 0.30 116.25 122.02 1v6f h VAL 100 Ca -0.41 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1v6f h VAL 100 Cb 1.20 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1v6f h VAL 100 CO 0.87 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.07 1v6f n GLY 101 N -1.55 1.57 3.97 2.17 0.00 -1.26 -4.84 105.19 105.25 1v6f n GLY 101 Ca 0.11 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.95 3.58 0.09 0.00 -2.85 -1.26 -5.02 119.74 110.34 1v6f s LYS 103 Ca 0.34 -0.07 -0.15 0.00 -1.00 0.00 0.00 55.97 55.10 1v6f s LYS 103 Cb -0.09 -2.62 -0.09 0.00 -2.06 0.00 0.00 37.83 32.96 1v6f s LYS 103 CO 0.29 0.16 1.41 -1.00 0.10 0.00 0.00 175.35 176.31 1v6f h PRO 104 N 1.29 0.67 -0.77 1.78 0.13 -1.99 -2.53 132.00 130.59 1v6f h PRO 104 Ca -0.48 -0.36 0.22 0.00 -0.87 0.00 0.00 66.00 64.51 1v6f h PRO 104 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1v6f h PRO 104 CO 0.64 0.97 0.76 1.49 -0.23 0.00 0.00 178.00 181.63 1v6f h GLU 105 N 0.41 0.00 0.07 0.86 4.57 -2.01 0.87 114.58 119.35 1v6f h GLU 105 Ca 0.04 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.85 1v6f h GLU 105 Cb 0.84 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.40 1v6f h GLU 105 CO 0.07 0.00 -2.12 1.04 -1.18 0.00 0.00 179.01 176.82 1v6f n GLN 106 N -3.67 0.70 -0.31 1.92 1.13 -1.15 -4.21 117.38 111.80 1v6f n GLN 106 Ca 0.16 0.25 0.18 0.00 -1.94 0.00 0.00 57.00 55.65 1v6f n GLN 106 Cb 1.03 -1.64 0.44 0.00 0.11 0.00 0.00 30.24 30.17 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 -0.08 0.52 -0.73 -1.09 1.08 -0.42 0.14 115.11 114.53 1v6f h GLN 107 Ca -0.48 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 56.64 1v6f h GLN 107 Cb 1.92 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 29.20 1v6f h GLN 107 CO -0.01 0.34 0.29 0.52 -0.95 0.00 0.00 178.83 179.02 1v6f h MET 108 N 0.53 1.10 0.52 1.46 2.86 -1.52 0.71 114.93 120.59 1v6f h MET 108 Ca 0.55 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 1v6f h MET 108 Cb 1.17 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.66 1v6f h MET 108 CO -0.29 0.90 -0.25 1.98 1.06 0.00 0.00 176.91 180.31 1v6f h MET 109 N 1.06 -0.68 -0.20 1.72 1.85 -0.91 -1.61 114.93 116.16 1v6f h MET 109 Ca 0.24 0.05 -0.07 0.00 -0.61 0.00 0.00 59.70 59.31 1v6f h MET 109 Cb 0.22 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 1v6f h MET 109 CO -0.02 -0.37 -0.20 1.88 -0.40 0.00 0.00 176.91 177.79 1v6f h TYR 110 N -0.95 0.37 0.57 1.39 -1.99 -1.33 -1.15 116.97 113.89 1v6f h TYR 110 Ca -0.07 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.57 1v6f h TYR 110 Cb 0.62 -0.10 0.01 0.00 2.00 0.00 0.00 36.73 39.26 1v6f h TYR 110 CO 0.00 0.53 -0.28 0.00 -0.00 0.00 0.00 178.16 178.42 1v6f h ALA 111 N 1.48 -1.14 -0.29 3.88 0.00 0.48 0.44 119.26 124.11 1v6f h ALA 111 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1v6f h ALA 111 Cb 0.54 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1v6f h ALA 111 CO 0.04 -1.08 0.10 0.78 0.00 0.00 0.00 179.25 179.08 1v6f h GLY 112 N -0.81 0.43 1.12 0.00 0.00 -1.32 -2.59 103.07 99.90 1v6f h GLY 112 Ca -0.08 -0.20 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 1v6f h GLY 112 CO 0.13 0.19 -0.55 1.76 0.00 0.00 0.00 176.54 178.06 1v6f h SER 113 N 0.40 0.95 -0.02 0.19 0.02 -1.15 -3.31 113.55 110.63 1v6f h SER 113 Ca 0.10 -0.55 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1v6f h SER 113 Cb 0.11 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 1v6f h SER 113 CO -0.01 1.32 -0.51 0.50 -1.14 0.00 0.00 176.83 176.99 1v6f h LYS 114 N 0.61 -0.60 -0.53 3.45 3.64 0.30 -2.64 116.57 120.81 1v6f h LYS 114 Ca 0.01 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1v6f h LYS 114 Cb 1.17 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 1v6f h LYS 114 CO 0.12 -0.40 -0.31 -1.71 -2.27 0.00 0.00 179.45 174.88 1v6f n ASN 115 N -5.26 -0.56 -0.23 4.20 2.85 -1.19 0.69 115.26 115.74 1v6f n ASN 115 Ca -0.07 1.15 -0.01 0.00 -0.11 0.00 0.00 54.58 55.54 1v6f n ASN 115 Cb 0.37 -0.22 0.06 0.00 1.24 0.00 0.00 39.78 41.22 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 -0.05 -0.29 1.20 3.64 -1.61 -0.94 116.57 118.53 1v6f h LYS 116 Ca 0.09 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1v6f h LYS 116 Cb 0.22 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.97 1v6f h LYS 116 CO -0.50 -0.03 -0.38 -0.07 -2.27 0.00 0.00 179.45 176.20 1v6f h LEU 117 N -0.05 -1.22 -1.29 5.20 3.38 0.57 0.37 115.31 122.27 1v6f h LEU 117 Ca 0.31 0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.63 1v6f h LEU 117 Cb 0.53 0.53 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1v6f h LEU 117 CO -0.72 -0.37 0.84 0.58 0.09 0.00 0.00 178.44 178.87 1v6f h VAL 118 N -0.36 0.11 0.08 1.22 2.07 -0.31 0.97 116.25 120.03 1v6f h VAL 118 Ca 0.13 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.32 1v6f h VAL 118 Cb 0.57 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1v6f h VAL 118 CO -0.48 0.00 -1.81 1.56 0.02 0.00 0.00 177.57 176.86 1v6f h GLN 119 N 0.00 0.17 -0.00 1.57 4.20 -0.18 -0.53 115.11 120.34 1v6f h GLN 119 Ca 0.27 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1v6f h GLN 119 Cb 1.95 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.84 1v6f h GLN 119 CO -0.00 0.95 -0.00 1.15 -0.67 0.00 0.00 178.83 180.25 1v6f h THR 120 N 0.05 1.31 0.00 -0.54 2.02 0.19 -2.93 112.91 113.01 1v6f h THR 120 Ca -0.34 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1v6f h THR 120 Cb 2.03 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 1v6f h THR 120 CO 0.10 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.23 1v6f n ALA 121 N -2.29 2.49 -3.59 6.16 0.00 -0.24 -4.77 120.51 118.27 1v6f n ALA 121 Ca -0.08 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 1v6f n ALA 121 Cb 0.21 -1.49 0.07 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.24 -6.48 -3.28 0.00 1.02 -1.11 -4.87 120.64 104.68 1v6f n GLU 122 Ca 0.15 0.77 -0.38 0.00 -0.02 0.00 0.00 57.16 57.68 1v6f n GLU 122 Cb 0.22 -5.68 -0.06 0.00 -0.02 0.00 0.00 31.44 25.90 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 -6.78 4.35 -0.15 -4.62 1.43 -0.22 -4.98 118.68 107.71 1v6f s LEU 123 Ca 0.23 0.97 -0.07 0.00 -1.03 0.00 0.00 54.13 54.23 1v6f s LEU 123 Cb -0.11 -2.78 -0.24 0.00 0.03 0.00 0.00 46.19 43.10 1v6f s LEU 123 CO 0.76 0.07 0.25 0.35 0.23 0.00 0.00 176.35 178.00 1v6f n THR 124 N 3.13 1.71 -3.37 5.49 -2.24 -1.26 -4.78 114.28 112.96 1v6f n THR 124 Ca -0.07 -0.57 -0.38 0.00 -2.27 0.00 0.00 64.05 60.76 1v6f n THR 124 Cb 0.51 -1.73 -0.07 0.00 -2.10 0.00 0.00 70.33 66.95 1v6f n THR 124 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1v6f s LYS 125 N -2.53 4.24 -0.23 -0.78 3.01 -1.26 -5.04 119.74 117.15 1v6f s LYS 125 Ca -0.25 0.29 -0.02 0.00 -1.01 0.00 0.00 55.97 54.98 1v6f s LYS 125 Cb 0.07 -3.49 0.07 0.00 -1.01 0.00 0.00 37.83 33.47 1v6f s LYS 125 CO 0.72 0.05 0.05 0.08 0.51 0.00 0.00 175.35 176.75 1v6f s VAL 126 N 1.01 0.72 0.15 3.17 1.01 -1.26 -0.24 120.40 124.96 1v6f s VAL 126 Ca 0.21 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1v6f s VAL 126 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1v6f s VAL 126 CO 0.08 -0.34 -0.06 -0.36 0.00 0.00 0.00 175.10 174.42 1v6f s PHE 127 N 1.75 2.76 0.01 5.22 0.08 0.82 -4.96 117.98 123.65 1v6f s PHE 127 Ca 0.02 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 56.95 1v6f s PHE 127 Cb -0.17 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 1v6f s PHE 127 CO -0.14 0.49 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.34 1v6f s GLU 128 N -2.66 1.02 -0.05 0.44 -6.30 -1.26 0.01 118.70 109.90 1v6f s GLU 128 Ca 0.25 -0.57 0.06 0.00 -2.50 0.00 0.00 54.97 52.21 1v6f s GLU 128 Cb -0.10 -1.00 -0.01 0.00 0.00 0.00 0.00 34.13 33.02 1v6f s GLU 128 CO 0.16 0.27 -0.24 0.96 0.02 0.00 0.00 175.26 176.43 1v6f s ILE 129 N -0.49 2.18 -0.99 -3.70 -4.36 -1.09 -4.94 121.20 107.81 1v6f s ILE 129 Ca 0.04 -1.03 0.24 0.00 -0.26 0.00 0.00 60.65 59.64 1v6f s ILE 129 Cb -0.06 -1.79 0.20 0.00 1.25 0.00 0.00 42.46 42.06 1v6f s ILE 129 CO 0.00 0.57 1.78 -2.11 0.24 0.00 0.00 174.94 175.42 1v6f n ARG 130 N 2.80 0.00 -3.66 0.37 1.85 -1.25 -1.74 116.66 115.03 1v6f n ARG 130 Ca -0.17 0.09 -0.09 0.00 -1.00 0.00 0.00 57.85 56.67 1v6f n ARG 130 Cb 0.52 -1.51 -0.08 0.00 -1.05 0.00 0.00 32.46 30.34 1v6f n ARG 130 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1v6f s ASN 131 N -3.02 -0.77 0.51 2.89 2.20 -1.25 -0.34 114.94 115.16 1v6f s ASN 131 Ca 0.12 1.28 0.30 0.00 -0.94 0.00 0.00 52.86 53.61 1v6f s ASN 131 Cb 0.16 1.17 1.41 0.00 -2.00 0.00 0.00 41.25 41.99 1v6f s ASN 131 CO 0.44 -0.22 1.85 0.71 -2.94 0.00 0.00 177.10 176.95 1v6f h THR 132 N 5.06 0.53 -0.88 0.54 1.35 -1.86 0.17 112.91 117.82 1v6f h THR 132 Ca -0.32 -0.03 0.02 0.00 -0.55 0.00 0.00 66.41 65.53 1v6f h THR 132 Cb 1.21 0.43 -0.05 0.00 -1.73 0.00 0.00 68.15 68.01 1v6f h THR 132 CO 0.20 0.02 0.57 -0.33 -0.25 0.00 0.00 175.52 175.73 1v6f h GLU 133 N 0.09 1.12 -0.97 4.72 5.08 -1.95 -2.17 114.58 120.50 1v6f h GLU 133 Ca 0.48 -0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.94 1v6f h GLU 133 Cb 1.75 -0.25 -0.10 0.00 0.50 0.00 0.00 28.75 30.65 1v6f h GLU 133 CO -0.06 0.74 0.57 0.22 -1.00 0.00 0.00 179.01 179.48 1v6f h ASP 134 N 1.15 0.75 -0.98 1.42 3.58 -1.07 -3.37 116.42 117.90 1v6f h ASP 134 Ca 0.33 0.09 -0.27 0.00 0.42 0.00 0.00 57.03 57.60 1v6f h ASP 134 Cb -0.08 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 1v6f h ASP 134 CO -0.09 0.30 1.00 -0.11 -2.88 0.00 0.00 179.24 177.47 1v6f n LEU 135 N -4.77 1.90 -4.26 2.28 7.94 -0.82 -4.69 117.00 114.59 1v6f n LEU 135 Ca 0.21 -0.88 -0.16 0.00 -1.11 0.00 0.00 56.01 54.07 1v6f n LEU 135 Cb 0.50 -1.56 -0.09 0.00 0.53 0.00 0.00 43.42 42.80 1v6f n LEU 135 CO 0.22 -1.97 -0.19 0.42 -1.11 0.00 0.00 177.39 174.76 1v6f s THR 136 N 12.79 0.10 0.09 1.96 -4.23 -1.24 -4.28 115.64 120.83 1v6f s THR 136 Ca 0.99 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 59.15 1v6f s THR 136 Cb -0.23 -2.51 -0.15 0.00 1.34 0.00 0.00 72.50 70.95 1v6f s THR 136 CO 0.21 0.00 1.58 -0.08 -0.54 0.00 0.00 174.62 175.78 1v6f h GLU 137 N 2.35 -0.87 0.08 3.99 4.81 -1.90 -0.09 114.58 122.96 1v6f h GLU 137 Ca -0.32 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1v6f h GLU 137 Cb 1.24 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.77 1v6f h GLU 137 CO 0.48 -0.58 -0.41 1.49 -0.73 0.00 0.00 179.01 179.25 1v6f h GLU 138 N -0.91 -0.60 -0.79 1.92 4.22 -1.97 -0.01 114.58 116.44 1v6f h GLU 138 Ca -0.04 0.04 0.23 0.00 0.08 0.00 0.00 59.36 59.67 1v6f h GLU 138 Cb 0.81 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1v6f h GLU 138 CO -0.10 -0.40 0.59 2.35 -2.18 0.00 0.00 179.01 179.27 1v6f h TRP 139 N -0.63 0.00 0.68 0.92 7.01 -1.81 -1.89 115.95 120.24 1v6f h TRP 139 Ca 0.03 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1v6f h TRP 139 Cb 0.67 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1v6f h TRP 139 CO -0.38 0.00 -0.33 1.25 -2.79 0.00 0.00 178.44 176.19 1v6f h LEU 140 N 0.00 -0.78 -2.78 0.65 7.12 0.97 -2.64 115.31 117.86 1v6f h LEU 140 Ca 0.37 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.41 1v6f h LEU 140 Cb 1.55 0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 41.88 1v6f h LEU 140 CO -0.00 -0.52 0.06 0.03 -0.13 0.00 0.00 178.44 177.88 1v6f h ARG 141 N -0.99 0.00 -0.31 1.25 3.08 -1.11 -1.66 114.38 114.63 1v6f h ARG 141 Ca -0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1v6f h ARG 141 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1v6f h ARG 141 CO 0.15 0.00 -0.01 1.49 -1.07 0.00 0.00 179.97 180.53 1v6f h GLU 142 N 0.00 0.56 -0.44 0.04 4.57 -1.02 0.08 114.58 118.38 1v6f h GLU 142 Ca 0.00 -0.19 -0.11 0.00 -1.18 0.00 0.00 59.36 57.88 1v6f h GLU 142 Cb 0.13 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1v6f h GLU 142 CO -0.00 0.71 -0.17 0.87 -1.18 0.00 0.00 179.01 179.24 1v6f h LYS 143 N 0.36 0.89 0.00 1.92 1.79 -1.03 -1.33 116.57 119.17 1v6f h LYS 143 Ca 0.09 -0.37 -0.08 0.00 -2.18 0.00 0.00 60.65 58.11 1v6f h LYS 143 Cb 0.46 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1v6f h LYS 143 CO 0.02 1.02 -0.37 -0.07 -1.08 0.00 0.00 179.45 178.97 1v6f h LEU 144 N 0.72 0.00 0.04 2.94 3.38 -1.46 -3.15 115.31 117.79 1v6f h LEU 144 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1v6f h LEU 144 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1v6f h LEU 144 CO 0.06 0.37 -0.02 1.23 0.09 0.00 0.00 178.44 180.16 1v6f h GLY 145 N 1.44 -0.06 -7.33 0.83 0.00 -0.75 -3.42 103.07 93.78 1v6f h GLY 145 Ca -0.00 0.02 -0.63 0.00 0.00 0.00 0.00 47.33 46.72 1v6f h GLY 145 CO 0.05 -0.02 -0.71 -0.45 0.00 0.00 0.00 176.54 175.41 1v6f s SER 146 N -5.85 4.22 0.00 0.19 0.15 -0.52 -5.09 113.70 106.80 1v6f s SER 146 Ca -0.13 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.10 1v6f s SER 146 Cb -0.01 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1v6f s SER 146 CO 0.49 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1v6f n GLY 147 N 3.87 1.78 3.70 9.45 0.00 -1.19 -4.63 105.19 118.16 1v6f n GLY 147 Ca 0.04 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 3.73 0.84 0.01 1.61 0.04 -1.26 -5.09 135.00 134.89 1v6f s PRO 148 Ca 0.00 0.68 -0.07 0.00 0.04 0.00 0.00 61.00 61.65 1v6f s PRO 148 Cb 0.00 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 1v6f s PRO 148 CO 0.00 -2.49 0.13 -1.54 0.04 0.00 0.00 177.00 173.15 1v6f s SER 149 N -3.43 0.05 0.02 6.66 1.04 -1.26 -5.16 113.70 111.61 1v6f s SER 149 Ca 0.64 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.81 1v6f s SER 149 Cb -0.18 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 1v6f s SER 149 CO 0.57 -0.41 0.05 -0.55 0.98 0.00 0.00 173.24 173.88 1v6f s SER 150 N -1.56 5.42 0.00 7.02 0.15 -1.26 -5.36 113.70 118.11 1v6f s SER 150 Ca -0.13 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1v6f s SER 150 Cb -0.06 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 1v6f s SER 150 CO 0.00 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.30