#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 2.57 -0.23 1.61 0.01 -1.26 -5.05 113.70 111.35 1v6f s SER 2 Ca 0.00 -0.54 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 1v6f s SER 2 Cb 0.00 -0.21 -0.13 0.00 0.21 0.00 0.00 66.02 65.89 1v6f s SER 2 CO 0.00 0.17 -0.24 -1.54 0.41 0.00 0.00 173.24 172.04 1v6f n SER 3 N 1.82 2.03 0.00 2.44 3.41 -1.26 -5.12 113.62 116.93 1v6f n SER 3 Ca -0.17 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1v6f n SER 3 Cb 0.53 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1v6f n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v6f n GLY 4 N 2.05 -0.75 3.35 5.00 0.00 -1.26 -5.15 105.19 108.42 1v6f n GLY 4 Ca -0.43 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1v6f n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v6f n SER 5 N 0.00 -2.53 0.02 1.61 2.88 -1.26 -5.02 113.62 109.32 1v6f n SER 5 Ca 0.00 -0.35 -0.02 0.00 -1.33 0.00 0.00 58.87 57.17 1v6f n SER 5 Cb 0.00 -1.12 -0.01 0.00 -0.75 0.00 0.00 64.21 62.33 1v6f n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1v6f n SER 6 N -4.48 1.15 -3.51 -3.46 3.41 -1.26 -5.12 113.62 100.35 1v6f n SER 6 Ca 0.04 0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.66 1v6f n SER 6 Cb 0.56 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 1v6f n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1v6f s GLY 7 N -4.06 -0.55 0.21 5.00 0.00 -1.26 -5.16 107.32 101.51 1v6f s GLY 7 Ca -0.05 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.91 1v6f s GLY 7 CO 0.07 0.79 0.08 -1.35 0.00 0.00 0.00 173.10 172.70 1v6f s SER 8 N -1.52 0.82 -0.11 1.64 1.04 -1.26 -5.03 113.70 109.27 1v6f s SER 8 Ca -0.07 -1.32 -0.03 0.00 0.48 0.00 0.00 55.95 55.01 1v6f s SER 8 Cb -0.00 0.23 -0.06 0.00 0.10 0.00 0.00 66.02 66.28 1v6f s SER 8 CO 0.04 -0.73 2.72 -1.84 0.98 0.00 0.00 173.24 174.41 1v6f n GLU 9 N -0.32 1.68 -3.28 4.02 0.28 -1.26 -4.89 120.64 116.87 1v6f n GLU 9 Ca -0.01 -0.92 -0.38 0.00 -0.16 0.00 0.00 57.16 55.69 1v6f n GLU 9 Cb 0.65 -1.62 -0.06 0.00 1.43 0.00 0.00 31.44 31.84 1v6f n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1v6f s SER 10 N 1.52 6.65 -0.02 -1.84 0.01 -1.26 -5.07 113.70 113.68 1v6f s SER 10 Ca 0.38 0.77 0.05 0.00 1.31 0.00 0.00 55.95 58.46 1v6f s SER 10 Cb 0.21 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 1v6f s SER 10 CO -0.03 -0.07 -0.17 -0.76 0.41 0.00 0.00 173.24 172.62 1v6f s LEU 11 N 1.03 2.63 -0.46 2.44 1.43 -1.26 -4.92 118.68 119.56 1v6f s LEU 11 Ca 0.26 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1v6f s LEU 11 Cb -0.15 -1.53 0.12 0.00 0.03 0.00 0.00 46.19 44.66 1v6f s LEU 11 CO 0.10 0.31 0.25 -0.69 0.23 0.00 0.00 176.35 176.56 1v6f s VAL 12 N -0.79 3.29 -0.12 -1.59 1.01 -1.24 -5.02 120.40 115.95 1v6f s VAL 12 Ca 0.13 -2.34 -0.07 0.00 0.00 0.00 0.00 61.98 59.70 1v6f s VAL 12 Cb -0.11 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1v6f s VAL 12 CO 0.02 -0.73 0.13 0.54 0.00 0.00 0.00 175.10 175.06 1v6f s VAL 13 N 0.78 5.42 0.29 2.92 0.11 -1.26 -4.28 120.40 124.38 1v6f s VAL 13 Ca 0.11 0.18 0.05 0.00 -2.93 0.00 0.00 61.98 59.38 1v6f s VAL 13 Cb -0.22 -3.36 -0.06 0.00 -1.53 0.00 0.00 36.38 31.21 1v6f s VAL 13 CO -0.04 0.62 0.00 0.00 -3.33 0.00 0.00 175.10 172.35 1v6f s ASP 15 N -3.43 5.14 -0.24 0.00 1.11 -1.26 -4.71 116.67 113.28 1v6f s ASP 15 Ca 0.32 -0.25 -0.12 0.00 0.18 0.00 0.00 52.55 52.68 1v6f s ASP 15 Cb 0.06 -0.53 -0.05 0.00 1.07 0.00 0.00 42.92 43.47 1v6f s ASP 15 CO 0.13 -1.24 0.24 0.68 1.18 0.00 0.00 175.17 176.15 1v6f s VAL 16 N -2.75 5.30 0.26 -1.27 -7.23 -1.26 -1.17 120.40 112.27 1v6f s VAL 16 Ca 0.59 0.34 -0.30 0.00 -1.81 0.00 0.00 61.98 60.79 1v6f s VAL 16 Cb -0.09 -3.57 -0.11 0.00 0.56 0.00 0.00 36.38 33.17 1v6f s VAL 16 CO 0.39 0.30 1.58 0.00 -0.31 0.00 0.00 175.10 177.05 1v6f s ALA 17 N 1.28 3.75 0.25 1.32 0.00 0.88 -4.77 121.76 124.46 1v6f s ALA 17 Ca 0.11 1.50 -0.04 0.00 0.00 0.00 0.00 51.96 53.53 1v6f s ALA 17 Cb -0.14 -3.63 0.50 0.00 0.00 0.00 0.00 23.12 19.84 1v6f s ALA 17 CO 0.06 -0.91 1.69 1.05 0.00 0.00 0.00 175.76 177.65 1v6f h GLU 18 N 5.31 0.28 -0.19 0.00 4.11 -1.97 0.63 114.58 122.75 1v6f h GLU 18 Ca -0.46 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.01 1v6f h GLU 18 Cb 1.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1v6f h GLU 18 CO 0.82 0.19 0.17 -0.44 0.07 0.00 0.00 179.01 179.82 1v6f h ASP 19 N 0.29 0.00 0.00 3.06 5.19 -1.94 -2.16 116.42 120.86 1v6f h ASP 19 Ca 0.43 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.79 1v6f h ASP 19 Cb 0.75 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 1v6f h ASP 19 CO -0.51 0.00 -0.38 0.25 -3.12 0.00 0.00 179.24 175.47 1v6f h LEU 20 N 0.00 0.00 -0.43 1.55 6.46 -0.13 -3.37 115.31 119.39 1v6f h LEU 20 Ca 0.09 -0.48 0.06 0.00 -0.12 0.00 0.00 57.88 57.43 1v6f h LEU 20 Cb 0.43 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.27 1v6f h LEU 20 CO -0.00 0.96 -0.52 0.58 -0.62 0.00 0.00 178.44 178.84 1v6f h VAL 21 N -1.00 0.03 -0.93 1.05 2.07 -0.76 0.13 116.25 116.84 1v6f h VAL 21 Ca -0.08 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.82 1v6f h VAL 21 Cb 0.75 0.03 -0.17 0.00 -1.52 0.00 0.00 31.29 30.39 1v6f h VAL 21 CO -0.05 0.00 0.49 -1.84 0.02 0.00 0.00 177.57 176.19 1v6f n GLU 22 N -5.39 -0.06 0.15 1.57 0.28 -0.84 0.65 120.64 117.01 1v6f n GLU 22 Ca -0.02 1.28 -0.14 0.00 -0.16 0.00 0.00 57.16 58.12 1v6f n GLU 22 Cb 0.35 -2.30 -0.08 0.00 1.43 0.00 0.00 31.44 30.84 1v6f n GLU 22 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1v6f h LYS 23 N 0.00 -0.33 -0.88 3.44 1.57 -0.89 -2.85 116.57 116.62 1v6f h LYS 23 Ca 0.79 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.66 1v6f h LYS 23 Cb 2.07 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 34.40 1v6f h LYS 23 CO -0.72 -0.09 0.57 -0.07 -0.57 0.00 0.00 179.45 178.58 1v6f h LEU 24 N -0.55 0.86 -0.62 2.94 3.38 0.48 -1.79 115.31 120.00 1v6f h LEU 24 Ca -0.04 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1v6f h LEU 24 Cb 0.40 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1v6f h LEU 24 CO 0.06 0.55 0.30 0.03 0.09 0.00 0.00 178.44 179.46 1v6f h ARG 25 N 0.97 0.53 -0.40 1.13 3.08 -0.88 -1.76 114.38 117.05 1v6f h ARG 25 Ca 0.38 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.28 1v6f h ARG 25 Cb 0.24 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1v6f h ARG 25 CO -0.14 0.35 -0.23 0.87 -1.07 0.00 0.00 179.97 179.74 1v6f h LYS 26 N 0.54 0.81 -0.49 0.04 1.79 -1.12 -2.96 116.57 115.18 1v6f h LYS 26 Ca 0.30 -0.34 0.09 0.00 -2.18 0.00 0.00 60.65 58.52 1v6f h LYS 26 Cb 0.27 -0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 30.79 1v6f h LYS 26 CO -0.23 0.96 -0.29 0.35 -1.08 0.00 0.00 179.45 179.16 1v6f h PHE 27 N 0.70 -0.77 -0.33 -1.35 3.04 -0.66 1.55 116.94 119.12 1v6f h PHE 27 Ca 0.09 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 1v6f h PHE 27 Cb 0.76 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 1v6f h PHE 27 CO 0.04 -0.35 0.14 0.00 -2.02 0.00 0.00 178.31 176.12 1v6f h ARG 28 N -0.17 0.49 -1.06 1.11 2.47 -1.50 -2.70 114.38 113.02 1v6f h ARG 28 Ca 0.21 -0.08 -0.48 0.00 -1.26 0.00 0.00 59.98 58.37 1v6f h ARG 28 Cb 0.52 -0.08 -0.25 0.00 -1.65 0.00 0.00 29.97 28.50 1v6f h ARG 28 CO -0.59 0.47 0.62 1.19 0.56 0.00 0.00 179.97 182.22 1v6f n PHE 29 N -4.73 2.62 -2.34 3.04 3.72 -0.49 -4.96 117.46 114.31 1v6f n PHE 29 Ca -0.01 -2.02 -0.42 0.00 -0.05 0.00 0.00 57.45 54.95 1v6f n PHE 29 Cb 0.12 -1.00 -0.03 0.00 -0.94 0.00 0.00 39.48 37.63 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 -2.92 4.37 -0.40 -1.08 1.70 0.52 -4.91 118.95 116.24 1v6f s ARG 30 Ca 0.50 1.85 -0.00 0.00 -0.47 0.00 0.00 55.73 57.61 1v6f s ARG 30 Cb 0.41 -3.40 0.33 0.00 -0.57 0.00 0.00 34.95 31.72 1v6f s ARG 30 CO 0.06 -0.37 1.91 1.63 -1.08 0.00 0.00 175.30 177.45 1v6f n LYS 31 N 4.35 2.02 -4.32 3.89 5.02 -1.26 -4.92 118.16 122.94 1v6f n LYS 31 Ca 0.10 -2.08 -0.23 0.00 -2.02 0.00 0.00 58.31 54.08 1v6f n LYS 31 Cb 0.45 -1.81 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 1v6f n LYS 31 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1v6f s GLU 32 N -2.39 2.17 -0.20 1.97 2.02 -1.26 -5.05 118.70 115.96 1v6f s GLU 32 Ca 0.41 -1.52 0.10 0.00 0.02 0.00 0.00 54.97 53.98 1v6f s GLU 32 Cb 0.32 -2.07 -0.20 0.00 0.10 0.00 0.00 34.13 32.29 1v6f s GLU 32 CO 0.01 0.32 -0.05 2.41 0.02 0.00 0.00 175.26 177.97 1v6f n THR 33 N -0.87 1.30 -1.09 3.63 -1.04 -1.26 -5.00 114.28 109.95 1v6f n THR 33 Ca -0.06 -0.67 -0.29 0.00 -2.04 0.00 0.00 64.05 60.99 1v6f n THR 33 Cb 0.60 -0.86 0.21 0.00 -1.82 0.00 0.00 70.33 68.46 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 -2.45 1.31 0.83 -1.42 0.00 -1.26 -5.05 115.29 107.25 1v6f s HIS 34 Ca -0.19 0.76 -0.10 0.00 -3.00 0.00 0.00 55.06 52.53 1v6f s HIS 34 Cb 0.07 -3.34 0.14 0.00 -4.00 0.00 0.00 32.58 25.45 1v6f s HIS 34 CO 0.66 -3.43 1.16 -0.80 -1.00 0.00 0.00 174.74 171.33 1v6f s ASN 35 N -3.61 3.91 0.18 7.38 -0.87 -1.26 -4.85 114.94 115.83 1v6f s ASN 35 Ca 0.68 0.20 -0.23 0.00 -1.57 0.00 0.00 52.86 51.94 1v6f s ASN 35 Cb -0.15 -0.50 0.06 0.00 -0.02 0.00 0.00 41.25 40.64 1v6f s ASN 35 CO 0.57 -2.20 0.66 0.00 -2.57 0.00 0.00 177.10 173.56 1v6f s ALA 36 N -3.54 -1.52 -0.19 0.60 0.00 -1.26 -0.75 121.76 115.09 1v6f s ALA 36 Ca 0.68 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 1v6f s ALA 36 Cb -0.06 0.84 0.09 0.00 0.00 0.00 0.00 23.12 23.99 1v6f s ALA 36 CO 0.49 -0.84 0.40 0.00 0.00 0.00 0.00 175.76 175.81 1v6f s ALA 37 N -3.74 -1.09 -0.30 0.00 0.00 -0.77 -3.24 121.76 112.63 1v6f s ALA 37 Ca 0.04 1.42 -0.07 0.00 0.00 0.00 0.00 51.96 53.35 1v6f s ALA 37 Cb -0.02 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.80 1v6f s ALA 37 CO -0.07 -0.76 0.10 0.42 0.00 0.00 0.00 175.76 175.44 1v6f s ILE 38 N 2.59 4.09 0.07 0.00 1.01 -0.92 -0.35 121.20 127.69 1v6f s ILE 38 Ca -0.01 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1v6f s ILE 38 Cb -0.12 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1v6f s ILE 38 CO -0.12 0.07 0.33 -0.63 0.00 0.00 0.00 174.94 174.58 1v6f s ILE 39 N 1.52 5.22 0.07 2.92 1.01 -0.35 -0.74 121.20 130.84 1v6f s ILE 39 Ca 0.03 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.83 1v6f s ILE 39 Cb -0.17 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1v6f s ILE 39 CO 0.03 0.23 -0.04 -0.04 0.00 0.00 0.00 174.94 175.12 1v6f s MET 40 N -2.13 0.71 0.15 2.79 -1.94 -0.01 -0.26 119.30 118.60 1v6f s MET 40 Ca 0.34 -1.27 -0.12 0.00 -1.71 0.00 0.00 55.69 52.92 1v6f s MET 40 Cb -0.13 0.06 0.01 0.00 2.01 0.00 0.00 34.83 36.79 1v6f s MET 40 CO 0.20 -0.09 0.35 -1.59 -0.01 0.00 0.00 175.02 173.88 1v6f s LYS 41 N -3.90 1.13 -0.14 2.03 0.00 -1.06 -2.78 119.74 115.02 1v6f s LYS 41 Ca 0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 55.97 55.08 1v6f s LYS 41 Cb 0.07 0.42 -0.03 0.00 0.00 0.00 0.00 37.83 38.30 1v6f s LYS 41 CO -0.07 -0.43 -0.02 0.42 0.00 0.00 0.00 175.35 175.24 1v6f s ILE 42 N -3.89 4.05 0.72 3.79 1.01 -1.26 -1.97 121.20 123.65 1v6f s ILE 42 Ca 0.10 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1v6f s ILE 42 Cb 0.02 -2.76 0.14 0.00 0.01 0.00 0.00 42.46 39.87 1v6f s ILE 42 CO -0.05 0.52 0.99 -0.62 0.00 0.00 0.00 174.94 175.77 1v6f s ASP 43 N 0.08 4.32 -0.01 3.58 2.15 -1.24 -4.98 116.67 120.56 1v6f s ASP 43 Ca 0.01 -0.57 0.06 0.00 0.43 0.00 0.00 52.55 52.47 1v6f s ASP 43 Cb -0.13 0.27 -0.09 0.00 -0.30 0.00 0.00 42.92 42.67 1v6f s ASP 43 CO 0.02 -1.90 0.11 2.29 -0.17 0.00 0.00 175.17 175.52 1v6f n LYS 44 N -2.80 0.62 0.20 4.34 0.00 -1.26 -3.79 118.16 115.48 1v6f n LYS 44 Ca 0.17 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.31 58.35 1v6f n LYS 44 Cb 0.61 -1.14 -0.04 0.00 -0.00 0.00 0.00 35.03 34.46 1v6f n LYS 44 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1v6f h ASP 45 N 0.00 -0.46 0.38 -5.58 3.58 -1.99 -3.36 116.42 109.00 1v6f h ASP 45 Ca -0.02 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1v6f h ASP 45 Cb 0.42 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1v6f h ASP 45 CO 0.00 -0.16 -1.19 -0.62 -2.88 0.00 0.00 179.24 174.38 1v6f n GLU 46 N -4.35 0.36 -3.47 0.28 -0.58 -1.26 -5.00 120.64 106.63 1v6f n GLU 46 Ca -0.07 -0.02 -0.19 0.00 -0.42 0.00 0.00 57.16 56.45 1v6f n GLU 46 Cb 0.21 -1.60 0.06 0.00 -0.57 0.00 0.00 31.44 29.55 1v6f n GLU 46 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1v6f n ARG 47 N -2.05 -3.87 -3.85 3.49 3.00 -1.25 -5.02 116.66 107.11 1v6f n ARG 47 Ca 0.01 0.74 -0.12 0.00 -0.01 0.00 0.00 57.85 58.47 1v6f n ARG 47 Cb 0.46 -5.44 -0.11 0.00 0.00 0.00 0.00 32.46 27.37 1v6f n ARG 47 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1v6f s LEU 48 N -6.11 1.50 -0.02 0.55 2.96 -1.26 -4.50 118.68 111.80 1v6f s LEU 48 Ca 0.23 0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 53.91 1v6f s LEU 48 Cb -0.05 0.58 -0.06 0.00 0.50 0.00 0.00 46.19 47.16 1v6f s LEU 48 CO 0.77 -0.19 1.52 -0.69 -1.32 0.00 0.00 176.35 176.44 1v6f s VAL 49 N -0.58 3.59 0.14 1.68 1.01 -0.32 -3.70 120.40 122.22 1v6f s VAL 49 Ca -0.07 0.88 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1v6f s VAL 49 Cb -0.04 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1v6f s VAL 49 CO 0.01 -0.03 -0.15 0.68 0.00 0.00 0.00 175.10 175.60 1v6f s VAL 50 N 3.09 1.50 0.14 2.92 -7.23 -0.83 -0.09 120.40 119.89 1v6f s VAL 50 Ca 0.68 -1.80 -0.33 0.00 -1.81 0.00 0.00 61.98 58.72 1v6f s VAL 50 Cb -0.33 -1.65 -0.13 0.00 0.56 0.00 0.00 36.38 34.83 1v6f s VAL 50 CO 0.28 -0.39 1.69 -0.11 -0.31 0.00 0.00 175.10 176.25 1v6f n LEU 51 N 0.42 3.49 -0.09 1.32 -0.00 -1.26 -2.55 117.00 118.33 1v6f n LEU 51 Ca -0.14 1.05 -0.23 0.00 -0.00 0.00 0.00 56.01 56.69 1v6f n LEU 51 Cb 0.57 -1.47 -0.12 0.00 -0.00 0.00 0.00 43.42 42.40 1v6f n LEU 51 CO 0.28 -0.08 -0.94 -0.67 -0.00 0.00 0.00 177.39 175.98 1v6f n ASP 52 N 4.30 1.98 -3.62 1.96 -0.08 0.63 -4.86 116.55 116.86 1v6f n ASP 52 Ca 0.18 0.26 -0.05 0.00 -1.51 0.00 0.00 54.79 53.66 1v6f n ASP 52 Cb 0.32 -0.82 -0.04 0.00 2.34 0.00 0.00 41.12 42.92 1v6f n ASP 52 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1v6f s GLU 53 N -2.47 0.26 -0.13 -0.67 -1.05 -1.13 -4.99 118.70 108.51 1v6f s GLU 53 Ca -0.30 0.04 0.01 0.00 -0.15 0.00 0.00 54.97 54.57 1v6f s GLU 53 Cb 0.09 0.12 -0.01 0.00 -0.44 0.00 0.00 34.13 33.88 1v6f s GLU 53 CO 0.62 -0.08 -0.15 -1.21 0.95 0.00 0.00 175.26 175.39 1v6f s GLU 54 N -1.19 3.32 0.07 -4.83 2.02 -1.26 -1.22 118.70 115.61 1v6f s GLU 54 Ca 0.06 -0.72 0.06 0.00 0.02 0.00 0.00 54.97 54.39 1v6f s GLU 54 Cb -0.01 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 1v6f s GLU 54 CO -0.05 0.19 -0.11 -0.51 0.02 0.00 0.00 175.26 174.81 1v6f s LEU 55 N 0.40 3.00 0.04 1.80 1.43 0.52 -4.99 118.68 120.88 1v6f s LEU 55 Ca -0.12 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1v6f s LEU 55 Cb -0.16 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1v6f s LEU 55 CO 0.06 0.21 -0.12 -1.61 0.23 0.00 0.00 176.35 175.11 1v6f s GLU 56 N -1.91 0.82 -1.32 1.70 2.02 -1.26 -1.84 118.70 116.91 1v6f s GLU 56 Ca 0.19 -0.74 -0.10 0.00 0.02 0.00 0.00 54.97 54.34 1v6f s GLU 56 Cb -0.11 -0.79 0.00 0.00 0.10 0.00 0.00 34.13 33.33 1v6f s GLU 56 CO 0.11 0.19 0.52 0.41 0.02 0.00 0.00 175.26 176.51 1v6f n GLY 57 N 1.83 -0.50 3.72 -1.39 0.00 0.07 -4.93 105.19 103.99 1v6f n GLY 57 Ca -0.19 0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.81 2.29 0.27 1.61 -7.23 -1.26 -4.92 120.40 107.35 1v6f s VAL 58 Ca 0.19 -1.75 0.11 0.00 -1.81 0.00 0.00 61.98 58.72 1v6f s VAL 58 Cb -0.08 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.82 1v6f s VAL 58 CO 0.90 -0.01 -0.12 -0.44 -0.31 0.00 0.00 175.10 175.11 1v6f s SER 59 N -3.87 3.97 0.16 4.85 0.01 -1.26 -4.69 113.70 112.88 1v6f s SER 59 Ca 0.40 -0.86 0.20 0.00 1.31 0.00 0.00 55.95 57.00 1v6f s SER 59 Cb 0.04 -0.52 0.84 0.00 0.21 0.00 0.00 66.02 66.60 1v6f s SER 59 CO 0.22 0.03 1.61 -0.81 0.41 0.00 0.00 173.24 174.70 1v6f n PRO 60 N -0.67 0.12 -0.04 12.44 -0.04 -1.26 0.27 135.00 145.81 1v6f n PRO 60 Ca -0.06 0.36 -0.06 0.00 -0.04 0.00 0.00 63.50 63.71 1v6f n PRO 60 Cb 0.59 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.96 0.42 -0.05 3.54 5.68 -1.26 -3.18 116.55 119.74 1v6f n ASP 61 Ca 0.03 0.20 -0.06 0.00 -0.50 0.00 0.00 54.79 54.45 1v6f n ASP 61 Cb 0.20 0.61 -0.15 0.00 -1.14 0.00 0.00 41.12 40.65 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 -2.82 0.66 -0.12 0.11 1.02 -1.04 -4.37 120.64 114.09 1v6f n GLU 62 Ca -0.21 0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 56.93 1v6f n GLU 62 Cb 1.01 -1.62 0.02 0.00 -0.02 0.00 0.00 31.44 30.84 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 -1.35 -4.62 5.85 -0.39 -1.68 115.31 113.36 1v6f h LEU 63 Ca -0.38 0.03 0.23 0.00 0.84 0.00 0.00 57.88 58.60 1v6f h LEU 63 Cb 1.96 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.89 1v6f h LEU 63 CO 0.04 0.18 0.64 0.07 -0.34 0.00 0.00 178.44 179.02 1v6f h LYS 64 N 0.36 0.45 -0.76 1.25 2.10 -1.76 0.27 116.57 118.48 1v6f h LYS 64 Ca 0.17 -0.03 0.09 0.00 -2.00 0.00 0.00 60.65 58.88 1v6f h LYS 64 Cb 0.11 -0.10 -0.05 0.00 -0.90 0.00 0.00 32.23 31.29 1v6f h LYS 64 CO -0.14 0.30 0.50 0.22 -2.00 0.00 0.00 179.45 178.33 1v6f h ASP 65 N 0.47 0.63 -0.15 7.07 3.58 -1.52 0.14 116.42 126.63 1v6f h ASP 65 Ca 0.55 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 58.01 1v6f h ASP 65 Cb 1.28 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 1v6f h ASP 65 CO -0.27 0.39 0.01 -0.62 -2.88 0.00 0.00 179.24 175.87 1v6f n GLU 66 N -4.49 1.99 -4.34 0.28 -0.58 0.93 -4.82 120.64 109.60 1v6f n GLU 66 Ca 0.12 -0.82 -0.23 0.00 -0.42 0.00 0.00 57.16 55.81 1v6f n GLU 66 Cb 0.30 -1.68 -0.13 0.00 -0.57 0.00 0.00 31.44 29.36 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 -0.72 2.26 0.02 -4.62 1.43 0.48 -5.11 118.68 112.42 1v6f s LEU 67 Ca 0.14 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 1v6f s LEU 67 Cb 0.11 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.43 1v6f s LEU 67 CO 0.04 0.06 1.44 -2.16 0.23 0.00 0.00 176.35 175.95 1v6f s PRO 68 N -1.70 4.27 -0.03 1.29 0.04 -1.26 -4.90 135.00 132.71 1v6f s PRO 68 Ca 0.05 2.03 0.16 0.00 0.04 0.00 0.00 61.00 63.28 1v6f s PRO 68 Cb -0.10 -3.55 0.53 0.00 0.04 0.00 0.00 34.50 31.42 1v6f s PRO 68 CO 0.03 -0.59 1.43 -0.85 0.04 0.00 0.00 177.00 177.06 1v6f n GLU 69 N 5.29 2.64 0.00 4.56 0.00 -1.26 -4.16 120.64 127.71 1v6f n GLU 69 Ca 0.13 -2.12 0.00 0.00 0.00 0.00 0.00 57.16 55.17 1v6f n GLU 69 Cb 0.43 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.31 1v6f n GLU 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1v6f n ARG 70 N 1.04 1.41 -4.58 3.44 1.74 -1.26 -4.65 116.66 113.80 1v6f n ARG 70 Ca 0.20 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.98 1v6f n ARG 70 Cb 0.57 -0.95 -0.13 0.00 -1.02 0.00 0.00 32.46 30.93 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 -1.91 1.65 0.12 5.56 -1.52 -1.26 -3.41 119.66 118.89 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 -1.98 -0.08 0.00 -0.22 0.00 0.00 33.01 30.73 1v6f s GLN 71 CO 0.00 0.48 1.36 -1.25 -0.25 0.00 0.00 175.29 175.63 1v6f s PRO 72 N -1.73 4.34 0.10 2.91 0.04 -1.26 -4.57 135.00 134.84 1v6f s PRO 72 Ca 0.14 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.24 1v6f s PRO 72 Cb -0.10 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1v6f s PRO 72 CO 0.05 -0.39 -0.09 0.50 0.04 0.00 0.00 177.00 177.11 1v6f s ARG 73 N 0.97 0.86 -0.11 4.56 6.06 0.28 -5.00 118.95 126.57 1v6f s ARG 73 Ca 0.63 -1.24 -0.09 0.00 -2.50 0.00 0.00 55.73 52.53 1v6f s ARG 73 Cb -0.36 -0.45 -0.04 0.00 0.06 0.00 0.00 34.95 34.16 1v6f s ARG 73 CO 0.31 0.05 0.20 -0.06 -2.50 0.00 0.00 175.30 173.30 1v6f s PHE 74 N -2.85 3.59 -0.14 5.12 0.08 -1.12 -2.34 117.98 120.32 1v6f s PHE 74 Ca 0.08 0.60 -0.09 0.00 0.12 0.00 0.00 56.93 57.64 1v6f s PHE 74 Cb -0.00 -2.06 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1v6f s PHE 74 CO -0.01 0.64 0.35 0.42 -0.10 0.00 0.00 175.22 176.52 1v6f s ILE 75 N -0.79 -0.02 -0.41 0.64 1.09 -1.24 -0.83 121.20 119.65 1v6f s ILE 75 Ca 0.16 0.08 -0.03 0.00 -1.10 0.00 0.00 60.65 59.77 1v6f s ILE 75 Cb -0.13 -0.52 0.11 0.00 -1.06 0.00 0.00 42.46 40.86 1v6f s ILE 75 CO 0.05 0.03 0.20 -0.69 -0.10 0.00 0.00 174.94 174.43 1v6f s VAL 76 N 1.05 3.25 0.22 2.92 1.01 0.08 -2.29 120.40 126.63 1v6f s VAL 76 Ca -0.07 -2.06 0.05 0.00 0.00 0.00 0.00 61.98 59.90 1v6f s VAL 76 Cb -0.07 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1v6f s VAL 76 CO -0.08 -0.68 0.31 -0.47 0.00 0.00 0.00 175.10 174.18 1v6f s TYR 77 N 1.13 3.39 -0.36 5.22 5.04 -1.22 -2.16 117.35 128.40 1v6f s TYR 77 Ca 0.08 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1v6f s TYR 77 Cb -0.23 -1.56 0.12 0.00 0.35 0.00 0.00 41.96 40.64 1v6f s TYR 77 CO -0.04 0.47 0.16 0.45 -1.34 0.00 0.00 175.55 175.25 1v6f s SER 78 N -3.77 3.71 0.97 4.32 0.15 -1.20 -2.54 113.70 115.34 1v6f s SER 78 Ca 0.34 -2.01 -0.12 0.00 0.70 0.00 0.00 55.95 54.85 1v6f s SER 78 Cb -0.09 -0.81 0.17 0.00 -1.71 0.00 0.00 66.02 63.58 1v6f s SER 78 CO 0.28 -0.35 1.10 -0.47 1.20 0.00 0.00 173.24 174.99 1v6f s TYR 79 N 1.16 2.19 -0.37 3.44 5.04 -1.25 -4.54 117.35 123.03 1v6f s TYR 79 Ca 0.13 1.01 -0.04 0.00 -2.44 0.00 0.00 57.07 55.74 1v6f s TYR 79 Cb -0.20 -3.26 0.08 0.00 0.35 0.00 0.00 41.96 38.92 1v6f s TYR 79 CO -0.14 -2.75 0.14 0.21 -1.34 0.00 0.00 175.55 171.68 1v6f s LYS 80 N -5.00 2.31 -0.64 4.97 2.20 -1.26 -3.24 119.74 119.07 1v6f s LYS 80 Ca 0.65 -1.52 -0.18 0.00 -0.36 0.00 0.00 55.97 54.57 1v6f s LYS 80 Cb -0.18 -3.49 0.13 0.00 -1.51 0.00 0.00 37.83 32.78 1v6f s LYS 80 CO 0.57 -0.87 0.70 -0.47 -0.36 0.00 0.00 175.35 174.92 1v6f s TYR 81 N 1.26 3.17 0.01 4.03 6.14 -0.42 -4.97 117.35 126.56 1v6f s TYR 81 Ca 0.02 -1.21 -0.30 0.00 0.64 0.00 0.00 57.07 56.22 1v6f s TYR 81 Cb -0.22 -3.96 -0.03 0.00 0.42 0.00 0.00 41.96 38.17 1v6f s TYR 81 CO -0.01 -1.21 0.96 -1.14 0.64 0.00 0.00 175.55 174.79 1v6f s GLN 82 N 2.10 4.56 -0.06 4.97 2.00 -1.26 -2.50 119.66 129.47 1v6f s GLN 82 Ca 0.12 1.40 -0.15 0.00 -2.00 0.00 0.00 55.36 54.73 1v6f s GLN 82 Cb -0.22 -3.45 -0.05 0.00 0.80 0.00 0.00 33.01 30.09 1v6f s GLN 82 CO 0.02 -0.02 0.38 -1.01 -0.50 0.00 0.00 175.29 174.16 1v6f s HIS 83 N 0.92 3.63 0.26 1.67 3.76 0.15 -4.98 115.29 120.70 1v6f s HIS 83 Ca 0.51 0.87 -0.04 0.00 -0.15 0.00 0.00 55.06 56.25 1v6f s HIS 83 Cb -0.21 -2.32 0.51 0.00 1.11 0.00 0.00 32.58 31.67 1v6f s HIS 83 CO 0.28 0.49 1.65 0.38 -0.85 0.00 0.00 174.74 176.68 1v6f h ASP 84 N 5.47 -0.18 -1.19 1.40 2.03 -1.96 0.30 116.42 122.28 1v6f h ASP 84 Ca -0.48 0.19 0.38 0.00 -0.73 0.00 0.00 57.03 56.38 1v6f h ASP 84 Cb 1.20 0.29 -0.13 0.00 -0.83 0.00 0.00 39.33 39.87 1v6f h ASP 84 CO 0.66 -0.14 0.75 0.44 -1.03 0.00 0.00 179.24 179.92 1v6f h ASP 85 N 0.16 0.34 0.00 4.15 5.19 -2.04 -3.44 116.42 120.78 1v6f h ASP 85 Ca 0.45 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 57.00 1v6f h ASP 85 Cb 0.82 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1v6f h ASP 85 CO -0.63 -0.13 0.00 0.61 -3.12 0.00 0.00 179.24 175.97 1v6f n GLY 86 N -1.46 1.61 3.81 2.75 0.00 0.10 -5.13 105.19 106.88 1v6f n GLY 86 Ca 0.34 -0.07 -0.33 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 3.77 -0.04 1.61 3.52 -1.24 -4.75 118.95 121.82 1v6f s ARG 87 Ca 0.00 1.16 -0.03 0.00 -0.13 0.00 0.00 55.73 56.73 1v6f s ARG 87 Cb 0.00 -2.10 0.02 0.00 -1.56 0.00 0.00 34.95 31.31 1v6f s ARG 87 CO 0.00 -0.43 0.10 0.54 -0.81 0.00 0.00 175.30 174.70 1v6f s VAL 88 N -2.33 -0.01 0.07 7.11 0.11 -1.26 0.33 120.40 124.41 1v6f s VAL 88 Ca 0.63 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.77 1v6f s VAL 88 Cb -0.13 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1v6f s VAL 88 CO 0.27 0.02 -0.11 -0.94 -3.33 0.00 0.00 175.10 171.01 1v6f s SER 89 N 0.34 1.32 -0.63 3.54 1.04 -1.04 -4.98 113.70 113.29 1v6f s SER 89 Ca -0.02 -0.65 -0.12 0.00 0.48 0.00 0.00 55.95 55.63 1v6f s SER 89 Cb -0.04 -0.00 0.16 0.00 0.10 0.00 0.00 66.02 66.24 1v6f s SER 89 CO -0.01 -0.17 0.54 -0.31 0.98 0.00 0.00 173.24 174.27 1v6f s TYR 90 N -1.64 3.47 -0.09 5.02 2.02 -1.26 -1.30 117.35 123.58 1v6f s TYR 90 Ca -0.03 -1.80 -0.30 0.00 -0.37 0.00 0.00 57.07 54.58 1v6f s TYR 90 Cb -0.08 -3.68 -0.04 0.00 -0.40 0.00 0.00 41.96 37.76 1v6f s TYR 90 CO 0.01 -0.99 1.52 -1.25 -1.57 0.00 0.00 175.55 173.27 1v6f s PRO 91 N 0.91 4.20 -0.14 -1.71 0.04 -1.20 -4.83 135.00 132.27 1v6f s PRO 91 Ca 0.10 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1v6f s PRO 91 Cb -0.22 -3.90 -0.01 0.00 0.04 0.00 0.00 34.50 30.41 1v6f s PRO 91 CO -0.02 -0.79 1.14 -0.51 0.04 0.00 0.00 177.00 176.85 1v6f s LEU 92 N 3.80 4.20 0.31 -3.56 2.01 -1.26 -3.76 118.68 120.42 1v6f s LEU 92 Ca 0.67 1.62 0.06 0.00 0.01 0.00 0.00 54.13 56.49 1v6f s LEU 92 Cb -0.29 -3.55 -0.06 0.00 0.01 0.00 0.00 46.19 42.30 1v6f s LEU 92 CO 0.25 -0.62 -0.02 0.00 1.01 0.00 0.00 176.35 176.97 1v6f s PHE 94 N -3.05 3.42 -0.57 0.00 2.19 -0.49 -3.42 117.98 116.06 1v6f s PHE 94 Ca 0.32 -2.38 -0.19 0.00 0.33 0.00 0.00 56.93 55.01 1v6f s PHE 94 Cb 0.06 -2.33 0.09 0.00 -1.31 0.00 0.00 43.02 39.52 1v6f s PHE 94 CO 0.14 -0.89 0.69 0.42 1.83 0.00 0.00 175.22 177.42 1v6f s ILE 95 N 1.10 4.81 -1.08 3.12 1.01 -0.97 -1.33 121.20 127.85 1v6f s ILE 95 Ca -0.02 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 1v6f s ILE 95 Cb -0.20 -4.44 0.02 0.00 0.01 0.00 0.00 42.46 37.85 1v6f s ILE 95 CO -0.05 -1.04 1.67 0.12 0.00 0.00 0.00 174.94 175.65 1v6f s PHE 96 N 2.74 2.38 -0.37 3.97 5.36 0.40 -3.60 117.98 128.87 1v6f s PHE 96 Ca 0.13 -0.59 -0.28 0.00 -0.96 0.00 0.00 56.93 55.24 1v6f s PHE 96 Cb -0.22 -4.51 -0.04 0.00 -0.34 0.00 0.00 43.02 37.92 1v6f s PHE 96 CO 0.08 -1.79 2.05 0.45 -1.46 0.00 0.00 175.22 174.55 1v6f s SER 97 N 5.58 5.39 -0.30 6.13 0.15 -0.99 -3.11 113.70 126.56 1v6f s SER 97 Ca 0.55 1.29 -0.01 0.00 0.70 0.00 0.00 55.95 58.48 1v6f s SER 97 Cb -0.00 -2.52 0.09 0.00 -1.71 0.00 0.00 66.02 61.88 1v6f s SER 97 CO -0.01 -2.11 0.09 -0.55 1.20 0.00 0.00 173.24 171.85 1v6f s SER 98 N 8.22 3.88 0.18 5.45 0.15 -0.95 -0.56 113.70 130.08 1v6f s SER 98 Ca 0.87 -1.52 -0.30 0.00 0.70 0.00 0.00 55.95 55.70 1v6f s SER 98 Cb -0.23 -0.81 -0.09 0.00 -1.71 0.00 0.00 66.02 63.18 1v6f s SER 98 CO 0.31 -0.40 1.31 -2.16 1.20 0.00 0.00 173.24 173.50 1v6f s PRO 99 N 1.67 4.38 0.58 5.44 0.04 -1.26 -3.50 135.00 142.36 1v6f s PRO 99 Ca 0.08 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.45 1v6f s PRO 99 Cb -0.17 -3.21 1.51 0.00 0.04 0.00 0.00 34.50 32.67 1v6f s PRO 99 CO -0.24 -0.27 1.95 0.28 0.04 0.00 0.00 177.00 178.77 1v6f h VAL 100 N 3.82 0.44 -0.02 -0.36 2.07 -0.81 0.12 116.25 121.51 1v6f h VAL 100 Ca -0.44 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1v6f h VAL 100 Cb 1.21 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1v6f h VAL 100 CO 0.78 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.99 1v6f n GLY 101 N -1.51 1.61 3.94 2.17 0.00 -1.26 -4.84 105.19 105.31 1v6f n GLY 101 Ca 0.07 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.40 3.66 0.03 0.00 -2.85 -1.26 -5.01 119.74 110.92 1v6f s LYS 103 Ca 0.36 0.25 -0.21 0.00 -1.00 0.00 0.00 55.97 55.36 1v6f s LYS 103 Cb -0.11 -2.45 -0.15 0.00 -2.06 0.00 0.00 37.83 33.06 1v6f s LYS 103 CO 0.29 -0.03 1.34 -1.00 0.10 0.00 0.00 175.35 176.05 1v6f h PRO 104 N 1.01 0.31 -0.74 1.78 0.13 -1.99 -2.49 132.00 130.01 1v6f h PRO 104 Ca -0.47 -0.16 0.21 0.00 -0.87 0.00 0.00 66.00 64.71 1v6f h PRO 104 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1v6f h PRO 104 CO 0.63 0.70 0.87 1.49 -0.23 0.00 0.00 178.00 181.47 1v6f h GLU 105 N -0.08 0.00 0.02 0.86 4.81 -1.98 0.54 114.58 118.75 1v6f h GLU 105 Ca 0.02 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.92 1v6f h GLU 105 Cb 0.65 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1v6f h GLU 105 CO 0.03 0.00 -1.80 1.04 -0.73 0.00 0.00 179.01 177.55 1v6f n GLN 106 N -3.43 0.60 -0.44 1.92 1.13 -1.16 -3.89 117.38 112.13 1v6f n GLN 106 Ca 0.16 0.42 0.36 0.00 -1.94 0.00 0.00 57.00 56.00 1v6f n GLN 106 Cb 1.11 -1.66 0.66 0.00 0.11 0.00 0.00 30.24 30.47 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 -0.79 0.12 0.00 -1.09 1.08 -0.44 1.61 115.11 115.59 1v6f h GLN 107 Ca -0.47 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 56.53 1v6f h GLN 107 Cb 1.53 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.90 1v6f h GLN 107 CO -0.22 0.08 -0.90 0.52 -0.95 0.00 0.00 178.83 177.35 1v6f h MET 108 N 0.12 0.01 -0.22 1.46 0.00 -1.58 0.17 114.93 114.89 1v6f h MET 108 Ca 0.75 -0.01 -0.11 0.00 0.00 0.00 0.00 59.70 60.33 1v6f h MET 108 Cb 2.48 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 34.07 1v6f h MET 108 CO -0.27 0.90 -0.34 1.98 0.00 0.00 0.00 176.91 179.19 1v6f h MET 109 N 0.00 0.48 0.00 1.72 1.85 0.22 -2.96 114.93 116.23 1v6f h MET 109 Ca -0.01 -0.21 -0.31 0.00 -0.61 0.00 0.00 59.70 58.55 1v6f h MET 109 Cb 1.59 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 33.55 1v6f h MET 109 CO 0.12 0.76 -1.98 0.66 -0.40 0.00 0.00 176.91 176.07 1v6f n TYR 110 N -4.07 0.58 0.28 1.39 4.01 -0.60 -4.00 117.16 114.75 1v6f n TYR 110 Ca -0.01 0.21 -0.15 0.00 -0.16 0.00 0.00 57.90 57.79 1v6f n TYR 110 Cb 0.46 -1.10 -0.08 0.00 -0.31 0.00 0.00 39.34 38.32 1v6f n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1v6f h ALA 111 N 1.04 -1.13 -0.54 -0.72 0.00 -0.64 0.52 119.26 117.78 1v6f h ALA 111 Ca -0.38 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.44 1v6f h ALA 111 Cb 2.07 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 20.36 1v6f h ALA 111 CO 0.06 -1.13 0.17 0.78 0.00 0.00 0.00 179.25 179.13 1v6f h GLY 112 N -0.87 0.72 1.23 0.00 0.00 -1.74 -1.58 103.07 100.83 1v6f h GLY 112 Ca -0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1v6f h GLY 112 CO 0.02 -0.03 0.18 1.48 0.00 0.00 0.00 176.54 178.19 1v6f h SER 113 N 0.33 0.90 -0.01 0.19 4.64 -1.66 -3.18 113.55 114.75 1v6f h SER 113 Ca 0.27 -0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1v6f h SER 113 Cb 0.33 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 1v6f h SER 113 CO -0.30 0.85 -0.40 0.50 -0.87 0.00 0.00 176.83 176.62 1v6f h LYS 114 N 0.93 -0.47 -0.77 4.77 3.64 0.11 -2.33 116.57 122.44 1v6f h LYS 114 Ca 0.21 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 1v6f h LYS 114 Cb 0.29 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.11 1v6f h LYS 114 CO -0.01 -0.31 -0.42 -1.71 -2.27 0.00 0.00 179.45 174.73 1v6f n ASN 115 N -4.67 -0.74 -0.16 4.20 2.85 -1.11 0.82 115.26 116.45 1v6f n ASN 115 Ca -0.05 1.37 -0.03 0.00 -0.11 0.00 0.00 54.58 55.76 1v6f n ASN 115 Cb 0.29 -0.21 0.03 0.00 1.24 0.00 0.00 39.78 41.13 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 -0.02 -0.48 1.20 3.64 -1.54 -1.32 116.57 118.05 1v6f h LYS 116 Ca 0.16 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.64 1v6f h LYS 116 Cb 0.35 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 1v6f h LYS 116 CO -0.74 -0.02 -0.16 -0.07 -2.27 0.00 0.00 179.45 176.19 1v6f h LEU 117 N -0.03 -0.58 -1.70 5.20 3.38 0.94 0.53 115.31 123.05 1v6f h LEU 117 Ca 0.24 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1v6f h LEU 117 Cb 0.40 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1v6f h LEU 117 CO -0.53 -0.20 0.41 0.58 0.09 0.00 0.00 178.44 178.79 1v6f h VAL 118 N -0.05 0.00 0.02 1.22 2.07 -0.37 0.26 116.25 119.40 1v6f h VAL 118 Ca 0.23 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.39 1v6f h VAL 118 Cb 0.41 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1v6f h VAL 118 CO -0.52 0.00 -2.19 0.00 0.02 0.00 0.00 177.57 174.88 1v6f n GLN 119 N -2.80 0.68 -0.16 1.57 1.13 0.17 -1.25 117.38 116.71 1v6f n GLN 119 Ca -0.02 0.15 -0.11 0.00 -1.94 0.00 0.00 57.00 55.09 1v6f n GLN 119 Cb 0.45 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 1v6f n GLN 119 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1v6f h THR 120 N 0.01 1.27 -0.01 5.09 2.02 0.12 -2.79 112.91 118.62 1v6f h THR 120 Ca -0.48 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.51 1v6f h THR 120 Cb 2.07 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1v6f h THR 120 CO 0.02 0.41 -0.11 0.00 0.37 0.00 0.00 175.52 176.21 1v6f n ALA 121 N -2.46 2.79 -3.60 6.16 0.00 -0.27 -4.86 120.51 118.28 1v6f n ALA 121 Ca -0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.84 1v6f n ALA 121 Cb 0.37 -1.18 0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.30 -5.63 -3.56 0.00 1.02 -1.05 -4.93 120.64 106.19 1v6f n GLU 122 Ca 0.16 0.71 -0.37 0.00 -0.02 0.00 0.00 57.16 57.64 1v6f n GLU 122 Cb 0.34 -5.46 -0.06 0.00 -0.02 0.00 0.00 31.44 26.23 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 -6.57 4.38 -0.23 -4.62 1.43 -0.38 -5.00 118.68 107.68 1v6f s LEU 123 Ca 0.02 0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 53.72 1v6f s LEU 123 Cb -0.01 -2.45 -0.17 0.00 0.03 0.00 0.00 46.19 43.59 1v6f s LEU 123 CO 0.78 0.25 -0.05 0.35 0.23 0.00 0.00 176.35 177.90 1v6f n THR 124 N 2.50 1.55 -3.08 5.49 -2.24 -1.26 -4.78 114.28 112.45 1v6f n THR 124 Ca -0.14 -0.29 -0.40 0.00 -2.27 0.00 0.00 64.05 60.95 1v6f n THR 124 Cb 0.53 -1.88 -0.05 0.00 -2.10 0.00 0.00 70.33 66.82 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 -2.46 4.25 -0.22 -0.78 3.01 -1.26 -5.04 119.74 117.23 1v6f s LYS 125 Ca -0.33 0.69 -0.01 0.00 -1.01 0.00 0.00 55.97 55.31 1v6f s LYS 125 Cb 0.10 -3.56 0.06 0.00 -1.01 0.00 0.00 37.83 33.42 1v6f s LYS 125 CO 0.57 -0.21 0.00 0.08 0.51 0.00 0.00 175.35 176.30 1v6f s VAL 126 N 1.81 1.02 0.07 3.17 1.01 -1.26 -1.40 120.40 124.82 1v6f s VAL 126 Ca 0.31 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1v6f s VAL 126 Cb -0.16 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1v6f s VAL 126 CO 0.11 -0.21 -0.04 -0.36 0.00 0.00 0.00 175.10 174.61 1v6f s PHE 127 N 1.62 2.92 -0.08 5.22 0.08 -0.44 -4.97 117.98 122.33 1v6f s PHE 127 Ca -0.02 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.00 1v6f s PHE 127 Cb -0.18 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1v6f s PHE 127 CO -0.09 0.44 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.34 1v6f s GLU 128 N -2.04 1.92 -0.11 0.44 2.12 -1.26 -0.46 118.70 119.31 1v6f s GLU 128 Ca 0.22 -0.47 -0.06 0.00 0.36 0.00 0.00 54.97 55.03 1v6f s GLU 128 Cb -0.11 -1.61 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 1v6f s GLU 128 CO 0.14 -0.01 0.10 0.96 -0.54 0.00 0.00 175.26 175.91 1v6f s ILE 129 N 0.81 5.14 -1.40 -3.70 -4.36 -1.18 -4.96 121.20 111.55 1v6f s ILE 129 Ca -0.11 0.07 0.27 0.00 -0.26 0.00 0.00 60.65 60.61 1v6f s ILE 129 Cb -0.15 -3.22 0.45 0.00 1.25 0.00 0.00 42.46 40.78 1v6f s ILE 129 CO 0.02 0.61 1.90 -2.11 0.24 0.00 0.00 174.94 175.60 1v6f n ARG 130 N 2.12 0.36 -3.64 0.37 -4.01 -1.25 -2.24 116.66 108.36 1v6f n ARG 130 Ca -0.19 0.04 -0.06 0.00 -1.04 0.00 0.00 57.85 56.59 1v6f n ARG 130 Cb 0.54 -1.50 -0.07 0.00 -3.04 0.00 0.00 32.46 28.40 1v6f n ARG 130 CO 0.00 0.00 0.00 1.21 -3.04 0.00 0.00 177.63 175.80 1v6f s ASN 131 N -2.60 -0.34 0.46 2.89 3.84 -1.23 -0.11 114.94 117.86 1v6f s ASN 131 Ca 0.24 0.62 0.29 0.00 0.21 0.00 0.00 52.86 54.23 1v6f s ASN 131 Cb 0.18 0.75 1.37 0.00 -0.55 0.00 0.00 41.25 43.00 1v6f s ASN 131 CO 0.41 -0.10 1.72 0.71 -2.79 0.00 0.00 177.10 177.04 1v6f h THR 132 N 3.81 0.32 -1.00 -5.21 1.35 -1.86 0.54 112.91 110.86 1v6f h THR 132 Ca -0.28 -0.06 0.08 0.00 -0.55 0.00 0.00 66.41 65.60 1v6f h THR 132 Cb 1.18 0.14 -0.07 0.00 -1.73 0.00 0.00 68.15 67.68 1v6f h THR 132 CO 0.15 0.03 0.64 -0.33 -0.25 0.00 0.00 175.52 175.76 1v6f h GLU 133 N 0.17 1.10 -0.94 4.72 5.08 -1.95 -1.35 114.58 121.40 1v6f h GLU 133 Ca 0.69 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 59.04 1v6f h GLU 133 Cb 2.23 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 31.17 1v6f h GLU 133 CO -0.24 0.73 0.61 -0.44 -1.00 0.00 0.00 179.01 178.67 1v6f h ASP 134 N 1.13 0.96 -0.72 1.42 5.19 -0.31 -3.38 116.42 120.71 1v6f h ASP 134 Ca 0.44 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.71 1v6f h ASP 134 Cb 0.23 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 1v6f h ASP 134 CO -0.19 0.63 0.49 -0.22 -3.12 0.00 0.00 179.24 176.83 1v6f s LEU 135 N -10.05 3.02 0.22 1.55 2.96 -0.51 -4.67 118.68 111.20 1v6f s LEU 135 Ca -0.12 0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1v6f s LEU 135 Cb 0.20 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1v6f s LEU 135 CO 0.80 -3.55 0.13 0.42 -1.32 0.00 0.00 176.35 172.84 1v6f s THR 136 N 13.79 0.11 0.09 3.68 -4.23 -1.19 -4.19 115.64 123.70 1v6f s THR 136 Ca 0.92 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 59.10 1v6f s THR 136 Cb -0.14 -2.53 -0.15 0.00 1.34 0.00 0.00 72.50 71.03 1v6f s THR 136 CO 0.12 0.00 1.52 -0.08 -0.54 0.00 0.00 174.62 175.64 1v6f h GLU 137 N 2.55 -0.79 -0.53 3.99 4.81 -1.90 0.15 114.58 122.86 1v6f h GLU 137 Ca -0.36 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1v6f h GLU 137 Cb 1.25 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 30.71 1v6f h GLU 137 CO 0.54 -0.52 -0.10 1.49 -0.73 0.00 0.00 179.01 179.68 1v6f h GLU 138 N -0.82 0.02 -0.83 1.92 4.81 -1.97 0.69 114.58 118.40 1v6f h GLU 138 Ca -0.03 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1v6f h GLU 138 Cb 0.76 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1v6f h GLU 138 CO -0.17 0.02 0.55 2.35 -0.73 0.00 0.00 179.01 181.02 1v6f h TRP 139 N 0.03 0.97 0.28 0.92 7.01 -1.73 -1.92 115.95 121.51 1v6f h TRP 139 Ca 0.26 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.28 1v6f h TRP 139 Cb 0.40 -0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 27.10 1v6f h TRP 139 CO -0.41 0.54 -0.50 1.25 -2.79 0.00 0.00 178.44 176.52 1v6f h LEU 140 N 0.98 -1.46 -2.19 0.65 7.12 0.17 -0.91 115.31 119.68 1v6f h LEU 140 Ca 0.35 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.48 1v6f h LEU 140 Cb 0.13 0.52 -0.00 0.00 -0.53 0.00 0.00 40.66 40.77 1v6f h LEU 140 CO -0.11 -0.60 -0.06 0.03 -0.13 0.00 0.00 178.44 177.57 1v6f h ARG 141 N -0.85 0.00 -0.16 1.25 3.08 -1.27 -2.55 114.38 113.88 1v6f h ARG 141 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1v6f h ARG 141 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1v6f h ARG 141 CO -0.19 0.06 0.08 1.49 -1.07 0.00 0.00 179.97 180.35 1v6f h GLU 142 N 0.00 0.23 -0.52 0.04 4.57 -0.38 0.50 114.58 119.02 1v6f h GLU 142 Ca -0.00 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1v6f h GLU 142 Cb 0.15 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1v6f h GLU 142 CO 0.01 0.25 0.13 0.87 -1.18 0.00 0.00 179.01 179.09 1v6f h LYS 143 N 0.15 0.83 -0.16 1.92 1.79 -0.95 -1.62 116.57 118.52 1v6f h LYS 143 Ca 0.06 -0.20 -0.13 0.00 -2.18 0.00 0.00 60.65 58.21 1v6f h LYS 143 Cb 0.09 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1v6f h LYS 143 CO -0.01 0.79 -0.44 -0.07 -1.08 0.00 0.00 179.45 178.64 1v6f h LEU 144 N 0.72 0.42 0.00 2.94 3.38 -1.36 -3.24 115.31 118.18 1v6f h LEU 144 Ca 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1v6f h LEU 144 Cb 0.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1v6f h LEU 144 CO 0.00 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1v6f n GLY 145 N -0.04 -0.32 3.24 0.83 0.00 0.17 -4.62 105.19 104.45 1v6f n GLY 145 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.58 6.24 0.00 1.61 0.15 -0.63 -5.00 113.70 114.49 1v6f s SER 146 Ca 0.00 -2.82 0.00 0.00 0.70 0.00 0.00 55.95 53.83 1v6f s SER 146 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1v6f s SER 146 CO 0.00 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1v6f n GLY 147 N 3.70 3.43 3.71 9.45 0.00 -1.22 -4.68 105.19 119.57 1v6f n GLY 147 Ca 0.13 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 4.69 4.33 0.28 1.61 0.04 -1.26 -5.03 135.00 139.66 1v6f s PRO 148 Ca 0.00 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.12 1v6f s PRO 148 Cb 0.00 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 1v6f s PRO 148 CO 0.00 -0.42 -0.01 0.45 0.04 0.00 0.00 177.00 177.06 1v6f s SER 149 N 1.13 2.37 -0.78 6.66 0.15 -1.26 -5.09 113.70 116.89 1v6f s SER 149 Ca 0.64 -1.26 -0.26 0.00 0.70 0.00 0.00 55.95 55.77 1v6f s SER 149 Cb -0.36 -0.09 0.03 0.00 -1.71 0.00 0.00 66.02 63.89 1v6f s SER 149 CO 0.30 -0.48 1.32 -0.55 1.20 0.00 0.00 173.24 175.03 1v6f s SER 150 N -3.42 6.20 0.00 5.45 0.15 -1.26 -5.33 113.70 115.49 1v6f s SER 150 Ca 0.31 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1v6f s SER 150 Cb 0.06 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1v6f s SER 150 CO 0.12 -1.80 0.00 0.61 1.20 0.00 0.00 173.24 173.37