#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 5.50 0.25 1.61 1.04 -1.26 -5.11 113.70 115.74 1v6f s SER 2 Ca 0.00 0.71 0.02 0.00 0.48 0.00 0.00 55.95 57.16 1v6f s SER 2 Cb 0.00 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.43 1v6f s SER 2 CO 0.00 -1.14 0.17 -0.94 0.98 0.00 0.00 173.24 172.32 1v6f s SER 3 N -4.33 0.77 0.38 7.02 1.04 -1.26 -5.09 113.70 112.24 1v6f s SER 3 Ca 0.55 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1v6f s SER 3 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1v6f s SER 3 CO 0.45 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1v6f n GLY 4 N -0.41 -1.49 3.56 7.32 0.00 -1.26 -5.05 105.19 107.86 1v6f n GLY 4 Ca 0.03 0.29 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.33 -5.12 -4.26 1.61 2.88 -1.26 -5.00 113.62 99.14 1v6f n SER 5 Ca 0.00 -0.57 -0.32 0.00 -1.33 0.00 0.00 58.87 56.65 1v6f n SER 5 Cb 0.00 -5.03 -0.16 0.00 -0.75 0.00 0.00 64.21 58.27 1v6f n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v6f s SER 6 N -3.62 3.35 -0.30 -3.46 1.04 -1.26 -5.08 113.70 104.38 1v6f s SER 6 Ca 0.42 -0.49 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 1v6f s SER 6 Cb -0.19 -1.47 0.19 0.00 0.10 0.00 0.00 66.02 64.66 1v6f s SER 6 CO 0.73 0.16 0.88 -0.83 0.98 0.00 0.00 173.24 175.16 1v6f s GLY 7 N 0.34 -0.93 -0.30 7.32 0.00 -1.26 -5.14 107.32 107.35 1v6f s GLY 7 Ca -0.17 1.90 -0.03 0.00 0.00 0.00 0.00 44.72 46.42 1v6f s GLY 7 CO 0.08 3.88 0.61 -0.45 0.00 0.00 0.00 173.10 177.21 1v6f s SER 8 N 2.91 -1.29 -0.54 1.64 0.15 -1.26 -5.03 113.70 110.28 1v6f s SER 8 Ca 0.17 1.04 -0.02 0.00 0.70 0.00 0.00 55.95 57.84 1v6f s SER 8 Cb -0.07 2.17 0.35 0.00 -1.71 0.00 0.00 66.02 66.77 1v6f s SER 8 CO -0.22 -0.25 2.05 -1.84 1.20 0.00 0.00 173.24 174.18 1v6f n GLU 9 N 5.43 2.37 -3.30 5.44 0.28 -1.26 -4.83 120.64 124.77 1v6f n GLU 9 Ca -0.04 -2.66 -0.46 0.00 -0.16 0.00 0.00 57.16 53.84 1v6f n GLU 9 Cb 0.50 -2.04 -0.01 0.00 1.43 0.00 0.00 31.44 31.32 1v6f n GLU 9 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1v6f s SER 10 N -1.04 6.96 0.23 -1.84 1.04 -1.26 -5.04 113.70 112.75 1v6f s SER 10 Ca 0.52 -2.98 -0.26 0.00 0.48 0.00 0.00 55.95 53.71 1v6f s SER 10 Cb 0.41 -2.22 -0.09 0.00 0.10 0.00 0.00 66.02 64.22 1v6f s SER 10 CO -0.02 -0.50 0.86 -0.76 0.98 0.00 0.00 173.24 173.79 1v6f s LEU 11 N -0.17 4.54 -0.51 2.42 1.43 -1.26 -5.01 118.68 120.11 1v6f s LEU 11 Ca 0.24 1.76 -0.07 0.00 -1.03 0.00 0.00 54.13 55.03 1v6f s LEU 11 Cb -0.10 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.68 1v6f s LEU 11 CO -0.08 0.12 0.36 -0.69 0.23 0.00 0.00 176.35 176.29 1v6f s VAL 12 N -1.29 4.07 -0.19 -1.59 1.01 -1.25 -5.05 120.40 116.11 1v6f s VAL 12 Ca 0.41 -2.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.23 1v6f s VAL 12 Cb -0.23 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1v6f s VAL 12 CO 0.27 -0.79 0.14 -0.69 0.00 0.00 0.00 175.10 174.02 1v6f s VAL 13 N 1.02 5.41 0.27 2.92 1.01 -1.26 -4.09 120.40 125.69 1v6f s VAL 13 Ca 0.09 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1v6f s VAL 13 Cb -0.24 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1v6f s VAL 13 CO -0.02 0.45 0.26 0.00 0.00 0.00 0.00 175.10 175.79 1v6f s ASP 15 N -2.64 4.48 -0.16 0.00 1.01 -1.26 -4.83 116.67 113.27 1v6f s ASP 15 Ca 0.20 -1.14 -0.05 0.00 0.71 0.00 0.00 52.55 52.26 1v6f s ASP 15 Cb -0.02 -0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.66 1v6f s ASP 15 CO 0.13 -0.69 0.01 0.68 0.21 0.00 0.00 175.17 175.51 1v6f s VAL 16 N -2.65 4.34 0.22 -1.27 -7.23 -1.26 -0.09 120.40 112.46 1v6f s VAL 16 Ca 0.37 -0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 60.04 1v6f s VAL 16 Cb 0.02 -2.92 -0.09 0.00 0.56 0.00 0.00 36.38 33.95 1v6f s VAL 16 CO 0.21 0.49 1.18 0.00 -0.31 0.00 0.00 175.10 176.66 1v6f s ALA 17 N 0.27 3.43 0.21 1.32 0.00 0.83 -4.85 121.76 122.98 1v6f s ALA 17 Ca 0.00 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 1v6f s ALA 17 Cb -0.13 -3.39 0.30 0.00 0.00 0.00 0.00 23.12 19.89 1v6f s ALA 17 CO 0.02 -0.33 1.68 1.05 0.00 0.00 0.00 175.76 178.18 1v6f h GLU 18 N 4.67 0.18 -0.10 0.00 4.11 -1.98 0.49 114.58 121.96 1v6f h GLU 18 Ca -0.46 -0.01 0.03 0.00 0.07 0.00 0.00 59.36 58.99 1v6f h GLU 18 Cb 1.21 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1v6f h GLU 18 CO 0.72 0.12 0.30 -0.44 0.07 0.00 0.00 179.01 179.78 1v6f h ASP 19 N 0.19 0.00 0.00 3.06 3.32 -1.95 -2.10 116.42 118.94 1v6f h ASP 19 Ca 0.32 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 1v6f h ASP 19 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1v6f h ASP 19 CO -0.46 0.00 -1.09 -0.11 -1.72 0.00 0.00 179.24 175.86 1v6f n LEU 20 N -3.17 1.85 -0.23 1.55 0.00 0.16 -4.22 117.00 112.93 1v6f n LEU 20 Ca 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 56.01 56.44 1v6f n LEU 20 Cb 0.39 -0.91 -0.00 0.00 0.00 0.00 0.00 43.42 42.90 1v6f n LEU 20 CO 0.18 0.00 0.60 0.58 0.00 0.00 0.00 177.39 178.76 1v6f h VAL 21 N -1.00 0.12 -0.96 1.96 2.07 -0.58 0.27 116.25 118.13 1v6f h VAL 21 Ca -0.24 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.58 1v6f h VAL 21 Cb 1.03 0.12 -0.15 0.00 -1.52 0.00 0.00 31.29 30.77 1v6f h VAL 21 CO -0.14 0.00 0.43 1.05 0.02 0.00 0.00 177.57 178.93 1v6f h GLU 22 N -0.15 0.24 -0.12 1.57 4.11 -1.61 0.28 114.58 118.89 1v6f h GLU 22 Ca 0.23 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.64 1v6f h GLU 22 Cb 0.56 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1v6f h GLU 22 CO -0.73 0.16 0.05 0.87 0.07 0.00 0.00 179.01 179.42 1v6f h LYS 23 N 0.25 0.18 -0.66 1.06 1.57 -0.65 -2.59 116.57 115.74 1v6f h LYS 23 Ca 0.68 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.50 1v6f h LYS 23 Cb 1.52 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.74 1v6f h LYS 23 CO -0.65 0.28 0.35 -0.07 -0.57 0.00 0.00 179.45 178.78 1v6f h LEU 24 N 0.04 0.49 -0.36 2.94 3.38 -0.04 -1.03 115.31 120.73 1v6f h LEU 24 Ca 0.04 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1v6f h LEU 24 Cb 0.16 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1v6f h LEU 24 CO -0.00 0.31 0.10 0.03 0.09 0.00 0.00 178.44 178.96 1v6f h ARG 25 N 0.63 0.23 -0.66 1.13 3.08 -1.05 -1.92 114.38 115.83 1v6f h ARG 25 Ca 0.30 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 1v6f h ARG 25 Cb 0.24 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1v6f h ARG 25 CO -0.21 0.15 0.26 0.87 -1.07 0.00 0.00 179.97 179.97 1v6f h LYS 26 N 0.24 0.96 -0.56 0.04 1.79 -1.00 -2.69 116.57 115.34 1v6f h LYS 26 Ca 0.17 -0.16 0.11 0.00 -2.18 0.00 0.00 60.65 58.59 1v6f h LYS 26 Cb 0.17 -0.16 -0.11 0.00 -1.58 0.00 0.00 32.23 30.55 1v6f h LYS 26 CO -0.20 0.79 -0.14 0.35 -1.08 0.00 0.00 179.45 179.17 1v6f h PHE 27 N 0.95 -0.29 -0.24 -1.35 3.04 -0.38 1.64 116.94 120.30 1v6f h PHE 27 Ca 0.22 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.18 1v6f h PHE 27 Cb 0.19 0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1v6f h PHE 27 CO 0.01 -0.24 -0.01 0.00 -2.02 0.00 0.00 178.31 176.05 1v6f h ARG 28 N 0.00 0.43 -1.02 1.11 2.47 -1.37 -2.93 114.38 113.07 1v6f h ARG 28 Ca 0.27 -0.14 -0.41 0.00 -1.26 0.00 0.00 59.98 58.43 1v6f h ARG 28 Cb 0.41 -0.04 -0.24 0.00 -1.65 0.00 0.00 29.97 28.45 1v6f h ARG 28 CO -0.57 0.62 0.52 1.19 0.56 0.00 0.00 179.97 182.29 1v6f n PHE 29 N -4.63 2.38 -2.17 3.04 3.72 -0.58 -4.95 117.46 114.28 1v6f n PHE 29 Ca -0.04 -1.64 -0.42 0.00 -0.05 0.00 0.00 57.45 55.30 1v6f n PHE 29 Cb 0.25 -0.83 -0.03 0.00 -0.94 0.00 0.00 39.48 37.94 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 -2.58 4.23 -0.23 -1.08 1.70 0.55 -4.89 118.95 116.65 1v6f s ARG 30 Ca 0.44 2.01 -0.00 0.00 -0.47 0.00 0.00 55.73 57.71 1v6f s ARG 30 Cb 0.37 -3.74 0.19 0.00 -0.57 0.00 0.00 34.95 31.19 1v6f s ARG 30 CO 0.08 -0.70 1.86 1.63 -1.08 0.00 0.00 175.30 177.08 1v6f n LYS 31 N 6.19 1.59 -4.30 3.89 5.02 -1.26 -4.88 118.16 124.41 1v6f n LYS 31 Ca 0.15 -1.20 -0.28 0.00 -2.02 0.00 0.00 58.31 54.95 1v6f n LYS 31 Cb 0.43 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.38 1.89 -0.15 1.97 0.41 -1.26 -5.05 118.70 115.13 1v6f s GLU 32 Ca 0.24 -1.24 -0.06 0.00 -0.41 0.00 0.00 54.97 53.50 1v6f s GLU 32 Cb 0.19 -2.12 -0.24 0.00 -1.78 0.00 0.00 34.13 30.18 1v6f s GLU 32 CO 0.01 0.46 0.24 2.41 -0.49 0.00 0.00 175.26 177.89 1v6f n THR 33 N 0.45 1.72 -0.57 3.63 -1.04 -1.26 -4.96 114.28 112.24 1v6f n THR 33 Ca -0.13 -0.62 -0.30 0.00 -2.04 0.00 0.00 64.05 60.97 1v6f n THR 33 Cb 0.54 -1.69 0.26 0.00 -1.82 0.00 0.00 70.33 67.63 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 -2.54 0.35 0.95 -1.42 -3.43 -1.26 -5.03 115.29 102.90 1v6f s HIS 34 Ca -0.25 0.78 -0.14 0.00 -0.80 0.00 0.00 55.06 54.64 1v6f s HIS 34 Cb 0.07 -3.06 0.20 0.00 -1.43 0.00 0.00 32.58 28.37 1v6f s HIS 34 CO 0.73 -4.37 1.30 -0.80 -2.00 0.00 0.00 174.74 169.59 1v6f s ASN 35 N -3.05 3.12 0.07 7.38 -0.87 -1.26 -4.78 114.94 115.54 1v6f s ASN 35 Ca 0.69 0.12 -0.26 0.00 -1.57 0.00 0.00 52.86 51.83 1v6f s ASN 35 Cb -0.17 -0.15 0.09 0.00 -0.02 0.00 0.00 41.25 41.00 1v6f s ASN 35 CO 0.60 -2.72 0.75 0.00 -2.57 0.00 0.00 177.10 173.17 1v6f s ALA 36 N -3.83 -1.72 -0.22 0.60 0.00 -1.26 -0.15 121.76 115.17 1v6f s ALA 36 Ca 0.74 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 53.39 1v6f s ALA 36 Cb -0.03 0.63 0.10 0.00 0.00 0.00 0.00 23.12 23.82 1v6f s ALA 36 CO 0.52 -0.72 0.49 0.00 0.00 0.00 0.00 175.76 176.04 1v6f s ALA 37 N -3.41 -1.39 -0.29 0.00 0.00 0.83 -3.20 121.76 114.30 1v6f s ALA 37 Ca 0.03 1.75 -0.05 0.00 0.00 0.00 0.00 51.96 53.69 1v6f s ALA 37 Cb -0.01 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1v6f s ALA 37 CO -0.11 -0.72 0.05 0.42 0.00 0.00 0.00 175.76 175.40 1v6f s ILE 38 N 2.49 3.66 0.10 0.00 1.01 -1.10 -0.17 121.20 127.19 1v6f s ILE 38 Ca -0.04 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 1v6f s ILE 38 Cb -0.11 -2.92 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 1v6f s ILE 38 CO -0.15 0.06 0.47 -0.63 0.00 0.00 0.00 174.94 174.69 1v6f s ILE 39 N 1.44 4.98 0.03 2.92 1.01 -0.92 -1.77 121.20 128.88 1v6f s ILE 39 Ca 0.01 0.68 0.02 0.00 0.00 0.00 0.00 60.65 61.36 1v6f s ILE 39 Cb -0.17 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1v6f s ILE 39 CO 0.01 0.31 -0.06 -0.04 0.00 0.00 0.00 174.94 175.16 1v6f s MET 40 N -1.80 0.43 0.21 2.79 -1.94 0.33 -1.15 119.30 118.16 1v6f s MET 40 Ca 0.34 -0.56 -0.03 0.00 -1.71 0.00 0.00 55.69 53.73 1v6f s MET 40 Cb -0.15 -0.22 -0.03 0.00 2.01 0.00 0.00 34.83 36.44 1v6f s MET 40 CO 0.18 0.04 0.19 -1.59 -0.01 0.00 0.00 175.02 173.84 1v6f s LYS 41 N -1.14 1.26 -0.09 2.03 0.00 -1.14 -2.34 119.74 118.32 1v6f s LYS 41 Ca -0.08 -1.55 0.01 0.00 0.00 0.00 0.00 55.97 54.35 1v6f s LYS 41 Cb -0.08 0.31 -0.02 0.00 0.00 0.00 0.00 37.83 38.04 1v6f s LYS 41 CO -0.00 -0.43 -0.11 0.42 0.00 0.00 0.00 175.35 175.23 1v6f s ILE 42 N -4.13 3.32 1.38 3.79 1.01 -1.26 -1.94 121.20 123.36 1v6f s ILE 42 Ca 0.35 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 60.17 1v6f s ILE 42 Cb 0.06 -2.36 0.35 0.00 0.01 0.00 0.00 42.46 40.52 1v6f s ILE 42 CO 0.11 0.56 0.79 -0.67 0.00 0.00 0.00 174.94 175.74 1v6f n ASP 43 N 2.74 -4.02 0.02 3.58 -0.08 -1.23 -4.92 116.55 112.63 1v6f n ASP 43 Ca -0.18 -0.80 0.10 0.00 -1.51 0.00 0.00 54.79 52.40 1v6f n ASP 43 Cb 0.53 -0.93 -0.13 0.00 2.34 0.00 0.00 41.12 42.93 1v6f n ASP 43 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1v6f n LYS 44 N -5.28 0.65 0.06 -0.67 2.85 -1.26 -4.42 118.16 110.09 1v6f n LYS 44 Ca 0.13 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1v6f n LYS 44 Cb 0.55 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1v6f n LYS 44 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1v6f n ASP 45 N -2.39 0.27 -0.30 -5.58 9.92 -1.26 -4.80 116.55 112.41 1v6f n ASP 45 Ca -0.04 0.20 0.30 0.00 -0.53 0.00 0.00 54.79 54.72 1v6f n ASP 45 Cb 0.59 0.04 0.67 0.00 -0.64 0.00 0.00 41.12 41.77 1v6f n ASP 45 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1v6f h GLU 46 N 0.00 0.13 -5.94 -1.24 3.07 -1.99 -3.45 114.58 105.16 1v6f h GLU 46 Ca 0.00 -0.01 -0.37 0.00 -0.50 0.00 0.00 59.36 58.48 1v6f h GLU 46 Cb 0.19 -0.03 0.11 0.00 -0.84 0.00 0.00 28.75 28.18 1v6f h GLU 46 CO 0.00 0.08 -0.86 0.54 -1.40 0.00 0.00 179.01 177.37 1v6f n ARG 47 N -4.34 -3.49 -3.81 2.33 5.12 -1.26 -4.98 116.66 106.23 1v6f n ARG 47 Ca 0.24 0.66 -0.14 0.00 -1.93 0.00 0.00 57.85 56.68 1v6f n ARG 47 Cb 1.08 -5.12 -0.16 0.00 -1.16 0.00 0.00 32.46 27.11 1v6f n ARG 47 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1v6f s LEU 48 N -6.29 1.29 -0.21 0.55 1.98 -1.26 -3.99 118.68 110.75 1v6f s LEU 48 Ca 0.23 0.03 -0.29 0.00 -2.89 0.00 0.00 54.13 51.20 1v6f s LEU 48 Cb -0.06 -0.07 -0.02 0.00 0.66 0.00 0.00 46.19 46.70 1v6f s LEU 48 CO 0.80 -0.10 1.51 -0.69 -1.89 0.00 0.00 176.35 175.98 1v6f s VAL 49 N 0.83 3.85 0.16 1.68 1.01 0.87 -3.48 120.40 125.32 1v6f s VAL 49 Ca -0.07 0.98 0.09 0.00 0.00 0.00 0.00 61.98 62.97 1v6f s VAL 49 Cb -0.10 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1v6f s VAL 49 CO -0.02 -0.28 -0.19 0.68 0.00 0.00 0.00 175.10 175.29 1v6f s VAL 50 N 4.67 1.82 0.21 2.92 -7.23 -0.82 -0.12 120.40 121.86 1v6f s VAL 50 Ca 0.66 -1.87 -0.32 0.00 -1.81 0.00 0.00 61.98 58.64 1v6f s VAL 50 Cb -0.24 -1.81 -0.12 0.00 0.56 0.00 0.00 36.38 34.76 1v6f s VAL 50 CO 0.26 -0.27 1.66 -0.11 -0.31 0.00 0.00 175.10 176.33 1v6f n LEU 51 N 0.41 3.81 -0.12 1.32 -0.00 -1.26 -2.87 117.00 118.29 1v6f n LEU 51 Ca -0.14 1.08 -0.22 0.00 -0.00 0.00 0.00 56.01 56.73 1v6f n LEU 51 Cb 0.56 -1.54 -0.12 0.00 -0.00 0.00 0.00 43.42 42.33 1v6f n LEU 51 CO 0.28 0.04 -1.27 -0.67 -0.00 0.00 0.00 177.39 175.78 1v6f n ASP 52 N 3.50 1.98 -3.60 1.96 2.03 -0.30 -4.91 116.55 117.21 1v6f n ASP 52 Ca 0.15 0.07 -0.05 0.00 0.52 0.00 0.00 54.79 55.48 1v6f n ASP 52 Cb 0.34 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 40.09 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 -2.51 0.33 -0.19 -0.67 -1.05 -1.23 -5.01 118.70 108.36 1v6f s GLU 53 Ca -0.34 -0.02 -0.01 0.00 -0.15 0.00 0.00 54.97 54.45 1v6f s GLU 53 Cb 0.10 0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.95 1v6f s GLU 53 CO 0.59 -0.12 -0.14 -1.21 0.95 0.00 0.00 175.26 175.33 1v6f s GLU 54 N -1.71 3.15 -0.24 -4.83 2.02 -1.26 -2.15 118.70 113.67 1v6f s GLU 54 Ca 0.06 -0.75 -0.09 0.00 0.02 0.00 0.00 54.97 54.22 1v6f s GLU 54 Cb -0.01 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 1v6f s GLU 54 CO -0.04 -0.19 0.11 -0.51 0.02 0.00 0.00 175.26 174.64 1v6f s LEU 55 N 1.33 3.76 0.09 1.80 1.02 0.75 -4.97 118.68 122.45 1v6f s LEU 55 Ca 0.05 -0.05 0.04 0.00 0.02 0.00 0.00 54.13 54.19 1v6f s LEU 55 Cb -0.14 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 44.03 1v6f s LEU 55 CO -0.09 0.03 0.03 -1.61 0.02 0.00 0.00 176.35 174.74 1v6f s GLU 56 N 1.26 2.69 -1.21 1.70 2.02 -1.26 -0.12 118.70 123.78 1v6f s GLU 56 Ca 0.06 -0.78 -0.31 0.00 0.02 0.00 0.00 54.97 53.96 1v6f s GLU 56 Cb -0.14 -2.62 0.04 0.00 0.10 0.00 0.00 34.13 31.51 1v6f s GLU 56 CO 0.05 0.55 0.58 0.41 0.02 0.00 0.00 175.26 176.87 1v6f n GLY 57 N 0.51 -0.72 3.68 -1.39 0.00 0.78 -4.89 105.19 103.17 1v6f n GLY 57 Ca -0.10 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.67 2.36 0.29 1.61 -7.23 -1.26 -4.84 120.40 107.66 1v6f s VAL 58 Ca 0.43 -1.84 0.09 0.00 -1.81 0.00 0.00 61.98 58.85 1v6f s VAL 58 Cb -0.24 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 1v6f s VAL 58 CO 0.94 -0.06 0.06 -0.44 -0.31 0.00 0.00 175.10 175.29 1v6f s SER 59 N -3.81 4.65 0.42 4.85 0.01 -1.26 -4.59 113.70 113.96 1v6f s SER 59 Ca 0.38 -0.68 0.29 0.00 1.31 0.00 0.00 55.95 57.25 1v6f s SER 59 Cb 0.04 -0.83 1.21 0.00 0.21 0.00 0.00 66.02 66.65 1v6f s SER 59 CO 0.21 -0.12 1.87 1.55 0.41 0.00 0.00 173.24 177.15 1v6f h PRO 60 N 1.73 0.00 0.00 12.44 0.13 -1.94 0.01 132.00 144.38 1v6f h PRO 60 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1v6f h PRO 60 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1v6f h PRO 60 CO 0.62 0.00 -1.39 -0.25 -0.23 0.00 0.00 178.00 176.75 1v6f n ASP 61 N -2.69 0.47 -0.05 1.44 9.92 -1.26 -4.07 116.55 120.31 1v6f n ASP 61 Ca 0.01 -0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.24 1v6f n ASP 61 Cb 0.26 1.16 -0.15 0.00 -0.64 0.00 0.00 41.12 41.75 1v6f n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1v6f n GLU 62 N -2.27 0.67 0.22 -1.24 -0.58 -0.98 -4.40 120.64 112.06 1v6f n GLU 62 Ca -0.01 0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 1v6f n GLU 62 Cb 0.52 -1.59 -0.08 0.00 -0.57 0.00 0.00 31.44 29.71 1v6f n GLU 62 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1v6f h LEU 63 N 0.00 -0.48 -1.66 -4.62 5.85 -1.17 -2.87 115.31 110.36 1v6f h LEU 63 Ca -0.34 -0.09 0.40 0.00 0.84 0.00 0.00 57.88 58.69 1v6f h LEU 63 Cb 1.83 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.89 1v6f h LEU 63 CO 0.03 -0.17 0.91 0.07 -0.34 0.00 0.00 178.44 178.94 1v6f h LYS 64 N -0.81 0.11 -0.69 1.25 2.10 -1.78 0.91 116.57 117.66 1v6f h LYS 64 Ca -0.06 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.54 1v6f h LYS 64 Cb 0.54 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 1v6f h LYS 64 CO 0.10 0.08 0.25 -0.44 -2.00 0.00 0.00 179.45 177.43 1v6f h ASP 65 N 0.12 0.95 -0.07 7.07 5.19 -1.71 -1.47 116.42 126.49 1v6f h ASP 65 Ca 0.72 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1v6f h ASP 65 Cb 2.45 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 41.72 1v6f h ASP 65 CO -0.21 0.87 0.00 -0.62 -3.12 0.00 0.00 179.24 176.16 1v6f n GLU 66 N -4.28 1.28 -4.39 3.56 -0.58 0.31 -4.81 120.64 111.74 1v6f n GLU 66 Ca 0.06 -0.30 -0.28 0.00 -0.42 0.00 0.00 57.16 56.21 1v6f n GLU 66 Cb 0.20 -1.28 -0.12 0.00 -0.57 0.00 0.00 31.44 29.67 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 -0.71 2.47 0.20 -4.62 1.43 -0.56 -5.10 118.68 111.80 1v6f s LEU 67 Ca 0.05 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.09 1v6f s LEU 67 Cb 0.03 -1.28 -0.09 0.00 0.03 0.00 0.00 46.19 44.89 1v6f s LEU 67 CO 0.03 0.15 1.30 -2.16 0.23 0.00 0.00 176.35 175.90 1v6f s PRO 68 N -2.41 4.39 -0.24 1.29 0.04 -1.26 -4.93 135.00 131.88 1v6f s PRO 68 Ca 0.18 2.04 0.14 0.00 0.04 0.00 0.00 61.00 63.41 1v6f s PRO 68 Cb -0.09 -3.20 0.72 0.00 0.04 0.00 0.00 34.50 31.97 1v6f s PRO 68 CO 0.09 -0.24 1.66 -0.85 0.04 0.00 0.00 177.00 177.69 1v6f n GLU 69 N 2.62 4.05 0.00 4.56 0.28 -1.26 -4.39 120.64 126.50 1v6f n GLU 69 Ca 0.06 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 53.99 1v6f n GLU 69 Cb 0.43 -2.13 0.00 0.00 1.43 0.00 0.00 31.44 31.17 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 0.10 0.61 -4.56 3.44 3.00 -1.26 -4.80 116.66 113.19 1v6f n ARG 70 Ca 0.28 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.82 1v6f n ARG 70 Cb 1.14 -0.63 -0.13 0.00 0.00 0.00 0.00 32.46 32.84 1v6f n ARG 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1v6f s GLN 71 N -1.26 1.74 0.15 5.56 -1.52 -1.26 -3.24 119.66 119.83 1v6f s GLN 71 Ca 0.00 -1.17 -0.31 0.00 -1.95 0.00 0.00 55.36 51.94 1v6f s GLN 71 Cb 0.00 -2.03 -0.08 0.00 -0.22 0.00 0.00 33.01 30.68 1v6f s GLN 71 CO 0.00 0.49 1.34 -1.25 -0.25 0.00 0.00 175.29 175.62 1v6f s PRO 72 N -1.73 4.36 0.09 2.91 0.04 -1.26 -4.54 135.00 134.87 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 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1v6f s PRO 72 CO 0.06 -0.34 -0.07 0.50 0.04 0.00 0.00 177.00 177.19 1v6f s ARG 73 N 0.56 0.78 -0.17 4.56 6.06 0.15 -5.00 118.95 125.89 1v6f s ARG 73 Ca 0.61 -1.21 -0.09 0.00 -2.50 0.00 0.00 55.73 52.53 1v6f s ARG 73 Cb -0.36 -0.27 -0.05 0.00 0.06 0.00 0.00 34.95 34.34 1v6f s ARG 73 CO 0.34 0.01 0.13 -0.06 -2.50 0.00 0.00 175.30 173.22 1v6f s PHE 74 N -3.07 3.47 -0.12 5.12 0.08 -0.99 -2.56 117.98 119.92 1v6f s PHE 74 Ca 0.07 0.40 -0.06 0.00 0.12 0.00 0.00 56.93 57.46 1v6f s PHE 74 Cb 0.01 -2.09 0.05 0.00 -0.57 0.00 0.00 43.02 40.42 1v6f s PHE 74 CO -0.03 0.44 0.28 0.42 -0.10 0.00 0.00 175.22 176.23 1v6f s ILE 75 N -0.11 -0.03 -0.41 0.64 1.09 -1.23 -0.51 121.20 120.63 1v6f s ILE 75 Ca 0.10 0.12 -0.03 0.00 -1.10 0.00 0.00 60.65 59.74 1v6f s ILE 75 Cb -0.11 -0.43 0.11 0.00 -1.06 0.00 0.00 42.46 40.97 1v6f s ILE 75 CO 0.00 0.05 0.22 -0.69 -0.10 0.00 0.00 174.94 174.42 1v6f s VAL 76 N 1.16 3.38 0.18 2.92 1.01 -0.73 -1.72 120.40 126.61 1v6f s VAL 76 Ca -0.08 -2.03 0.02 0.00 0.00 0.00 0.00 61.98 59.89 1v6f s VAL 76 Cb -0.09 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1v6f s VAL 76 CO -0.08 -0.70 0.33 -0.47 0.00 0.00 0.00 175.10 174.18 1v6f s TYR 77 N 1.16 3.48 -0.40 5.22 5.04 -1.13 -2.69 117.35 128.03 1v6f s TYR 77 Ca 0.08 0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.90 1v6f s TYR 77 Cb -0.23 -1.72 0.12 0.00 0.35 0.00 0.00 41.96 40.48 1v6f s TYR 77 CO -0.04 0.45 0.16 0.45 -1.34 0.00 0.00 175.55 175.23 1v6f s SER 78 N -3.33 4.17 1.16 4.32 0.15 -1.19 -2.33 113.70 116.64 1v6f s SER 78 Ca 0.36 -2.34 -0.13 0.00 0.70 0.00 0.00 55.95 54.53 1v6f s SER 78 Cb -0.11 -1.27 0.28 0.00 -1.71 0.00 0.00 66.02 63.21 1v6f s SER 78 CO 0.29 -0.33 1.03 -0.47 1.20 0.00 0.00 173.24 174.97 1v6f s TYR 79 N 0.68 1.40 -0.53 3.44 5.04 -1.24 -4.59 117.35 121.55 1v6f s TYR 79 Ca 0.14 1.06 0.01 0.00 -2.44 0.00 0.00 57.07 55.85 1v6f s TYR 79 Cb -0.22 -3.13 0.14 0.00 0.35 0.00 0.00 41.96 39.10 1v6f s TYR 79 CO -0.08 -3.78 0.30 0.21 -1.34 0.00 0.00 175.55 170.86 1v6f s LYS 80 N -4.61 2.14 -0.69 4.97 2.20 -1.26 -3.55 119.74 118.95 1v6f s LYS 80 Ca 0.68 -2.48 -0.25 0.00 -0.36 0.00 0.00 55.97 53.56 1v6f s LYS 80 Cb -0.23 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1v6f s LYS 80 CO 0.63 -1.11 1.14 -0.47 -0.36 0.00 0.00 175.35 175.17 1v6f s TYR 81 N -0.03 2.47 0.08 4.03 6.14 0.89 -4.92 117.35 126.01 1v6f s TYR 81 Ca 0.16 -0.22 -0.21 0.00 0.64 0.00 0.00 57.07 57.44 1v6f s TYR 81 Cb -0.23 -4.46 -0.07 0.00 0.42 0.00 0.00 41.96 37.62 1v6f s TYR 81 CO -0.02 -1.85 0.62 -1.14 0.64 0.00 0.00 175.55 173.79 1v6f s GLN 82 N 4.96 4.29 -0.10 4.97 2.00 -1.26 -1.49 119.66 133.03 1v6f s GLN 82 Ca 0.30 0.82 -0.03 0.00 -2.00 0.00 0.00 55.36 54.46 1v6f s GLN 82 Cb -0.12 -3.26 -0.03 0.00 0.80 0.00 0.00 33.01 30.40 1v6f s GLN 82 CO 0.14 0.58 0.03 -1.01 -0.50 0.00 0.00 175.29 174.53 1v6f s HIS 83 N -0.97 3.23 0.24 1.67 3.76 0.15 -4.97 115.29 118.40 1v6f s HIS 83 Ca 0.31 0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 55.37 1v6f s HIS 83 Cb -0.20 -1.83 0.40 0.00 1.11 0.00 0.00 32.58 32.06 1v6f s HIS 83 CO 0.20 0.48 1.64 0.38 -0.85 0.00 0.00 174.74 176.60 1v6f h ASP 84 N 5.24 -0.33 -1.33 1.40 2.03 -1.98 0.28 116.42 121.73 1v6f h ASP 84 Ca -0.50 0.19 0.43 0.00 -0.73 0.00 0.00 57.03 56.41 1v6f h ASP 84 Cb 1.20 0.33 -0.12 0.00 -0.83 0.00 0.00 39.33 39.90 1v6f h ASP 84 CO 0.56 -0.16 0.87 -0.78 -1.03 0.00 0.00 179.24 178.69 1v6f h ASP 85 N 0.11 0.24 0.00 4.15 3.58 -2.05 -3.44 116.42 119.01 1v6f h ASP 85 Ca 0.39 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.96 1v6f h ASP 85 Cb 0.67 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1v6f h ASP 85 CO -0.63 -0.15 0.00 0.61 -2.88 0.00 0.00 179.24 176.19 1v6f n GLY 86 N -1.55 1.22 3.78 -0.78 0.00 0.97 -5.12 105.19 103.71 1v6f n GLY 86 Ca 0.36 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 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 4.48 -0.02 1.61 3.52 -1.24 -4.76 118.95 122.54 1v6f s ARG 87 Ca 0.00 1.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 1v6f s ARG 87 Cb 0.00 -2.77 0.03 0.00 -1.56 0.00 0.00 34.95 30.65 1v6f s ARG 87 CO 0.00 0.16 0.02 0.54 -0.81 0.00 0.00 175.30 175.21 1v6f s VAL 88 N -1.58 0.03 0.31 7.11 0.11 -1.26 0.30 120.40 125.41 1v6f s VAL 88 Ca 0.52 0.17 0.10 0.00 -2.93 0.00 0.00 61.98 59.83 1v6f s VAL 88 Cb -0.21 -0.15 -0.06 0.00 -1.53 0.00 0.00 36.38 34.44 1v6f s VAL 88 CO 0.26 0.11 -0.13 -0.55 -3.33 0.00 0.00 175.10 171.46 1v6f s SER 89 N 1.04 3.56 -0.49 3.54 0.15 -0.56 -4.95 113.70 115.99 1v6f s SER 89 Ca -0.09 -1.13 0.03 0.00 0.70 0.00 0.00 55.95 55.46 1v6f s SER 89 Cb -0.13 -0.31 0.13 0.00 -1.71 0.00 0.00 66.02 64.00 1v6f s SER 89 CO -0.02 -0.13 0.24 -0.31 1.20 0.00 0.00 173.24 174.21 1v6f s TYR 90 N -2.62 3.34 0.03 3.44 2.02 -1.26 -0.08 117.35 122.22 1v6f s TYR 90 Ca 0.31 -3.07 -0.30 0.00 -0.37 0.00 0.00 57.07 53.63 1v6f s TYR 90 Cb -0.00 -2.90 -0.06 0.00 -0.40 0.00 0.00 41.96 38.60 1v6f s TYR 90 CO 0.15 -0.80 1.42 -1.25 -1.57 0.00 0.00 175.55 173.51 1v6f s PRO 91 N 0.02 4.28 -0.08 -1.71 0.04 -1.23 -4.81 135.00 131.51 1v6f s PRO 91 Ca 0.15 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1v6f s PRO 91 Cb -0.24 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 1v6f s PRO 91 CO -0.02 -0.56 1.12 -0.51 0.04 0.00 0.00 177.00 177.06 1v6f s LEU 92 N 2.18 4.27 0.06 -3.56 2.01 -1.26 -3.59 118.68 118.78 1v6f s LEU 92 Ca 0.65 1.69 0.05 0.00 0.01 0.00 0.00 54.13 56.53 1v6f s LEU 92 Cb -0.33 -3.56 -0.03 0.00 0.01 0.00 0.00 46.19 42.28 1v6f s LEU 92 CO 0.28 -0.52 -0.14 0.00 1.01 0.00 0.00 176.35 176.98 1v6f s PHE 94 N -1.12 3.23 -0.56 0.00 2.19 -0.11 -2.83 117.98 118.77 1v6f s PHE 94 Ca -0.01 -0.61 -0.18 0.00 0.33 0.00 0.00 56.93 56.46 1v6f s PHE 94 Cb -0.09 -2.69 0.10 0.00 -1.31 0.00 0.00 43.02 39.02 1v6f s PHE 94 CO 0.02 -0.63 0.65 0.42 1.83 0.00 0.00 175.22 177.51 1v6f s ILE 95 N 1.73 4.90 -1.01 3.12 1.01 -0.70 -0.84 121.20 129.42 1v6f s ILE 95 Ca 0.06 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.50 1v6f s ILE 95 Cb -0.19 -4.41 0.03 0.00 0.01 0.00 0.00 42.46 37.89 1v6f s ILE 95 CO 0.10 -1.00 1.58 0.12 0.00 0.00 0.00 174.94 175.74 1v6f s PHE 96 N 2.48 2.37 -0.57 3.97 5.36 0.97 -3.53 117.98 129.03 1v6f s PHE 96 Ca 0.11 -0.53 -0.27 0.00 -0.96 0.00 0.00 56.93 55.27 1v6f s PHE 96 Cb -0.24 -4.55 -0.01 0.00 -0.34 0.00 0.00 43.02 37.88 1v6f s PHE 96 CO 0.07 -1.88 1.72 0.45 -1.46 0.00 0.00 175.22 174.12 1v6f s SER 97 N 5.64 5.59 -0.31 6.13 0.15 -1.06 -2.85 113.70 126.99 1v6f s SER 97 Ca 0.52 0.40 0.01 0.00 0.70 0.00 0.00 55.95 57.58 1v6f s SER 97 Cb -0.01 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.86 1v6f s SER 97 CO -0.07 -2.12 0.06 -0.94 1.20 0.00 0.00 173.24 171.37 1v6f s SER 98 N 6.79 4.29 -0.21 5.45 1.04 -1.04 -0.68 113.70 129.33 1v6f s SER 98 Ca 0.64 -1.78 -0.29 0.00 0.48 0.00 0.00 55.95 55.00 1v6f s SER 98 Cb -0.13 -1.20 -0.03 0.00 0.10 0.00 0.00 66.02 64.77 1v6f s SER 98 CO 0.23 -0.38 1.61 -2.16 0.98 0.00 0.00 173.24 173.52 1v6f s PRO 99 N 1.32 3.82 0.61 4.02 0.04 -1.22 -4.16 135.00 139.41 1v6f s PRO 99 Ca 0.08 1.68 0.27 0.00 0.04 0.00 0.00 61.00 63.07 1v6f s PRO 99 Cb -0.18 -4.03 1.04 0.00 0.04 0.00 0.00 34.50 31.37 1v6f s PRO 99 CO -0.16 -1.27 1.44 0.28 0.04 0.00 0.00 177.00 177.33 1v6f h VAL 100 N 6.11 0.08 0.00 -0.36 2.07 -1.31 1.12 116.25 123.96 1v6f h VAL 100 Ca -0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1v6f h VAL 100 Cb 1.15 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1v6f h VAL 100 CO 1.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.20 1v6f n GLY 101 N -1.66 0.54 3.96 2.17 0.00 -1.26 -4.82 105.19 104.11 1v6f n GLY 101 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.20 3.69 0.01 0.00 -2.85 -1.26 -5.00 119.74 110.12 1v6f s LYS 103 Ca 0.40 0.30 -0.23 0.00 -1.00 0.00 0.00 55.97 55.44 1v6f s LYS 103 Cb -0.09 -2.44 -0.17 0.00 -2.06 0.00 0.00 37.83 33.06 1v6f s LYS 103 CO 0.33 -0.02 1.31 -1.00 0.10 0.00 0.00 175.35 176.07 1v6f h PRO 104 N 1.10 0.20 -1.34 1.78 0.13 -1.99 -2.43 132.00 129.45 1v6f h PRO 104 Ca -0.47 -0.10 0.39 0.00 -0.87 0.00 0.00 66.00 64.94 1v6f h PRO 104 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1v6f h PRO 104 CO 0.64 0.63 1.12 1.49 -0.23 0.00 0.00 178.00 181.64 1v6f h GLU 105 N -0.22 0.00 0.05 0.86 4.57 -2.01 0.26 114.58 118.09 1v6f h GLU 105 Ca 0.01 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.86 1v6f h GLU 105 Cb 0.59 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1v6f h GLU 105 CO 0.02 0.00 -1.86 1.04 -1.18 0.00 0.00 179.01 177.03 1v6f n GLN 106 N -3.77 0.66 -0.41 1.92 1.13 -1.17 -4.07 117.38 111.67 1v6f n GLN 106 Ca 0.30 0.36 0.35 0.00 -1.94 0.00 0.00 57.00 56.07 1v6f n GLN 106 Cb 1.54 -1.68 0.68 0.00 0.11 0.00 0.00 30.24 30.89 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 -0.44 0.12 -0.13 -1.09 1.08 0.01 0.90 115.11 115.55 1v6f h GLN 107 Ca -0.45 -0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 56.55 1v6f h GLN 107 Cb 1.71 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.12 1v6f h GLN 107 CO -0.10 0.08 -0.70 0.52 -0.95 0.00 0.00 178.83 177.68 1v6f h MET 108 N 0.12 0.57 -0.42 1.46 2.86 -1.56 0.56 114.93 118.52 1v6f h MET 108 Ca 0.69 -0.44 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1v6f h MET 108 Cb 2.36 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 34.09 1v6f h MET 108 CO -0.18 1.06 0.10 1.98 1.06 0.00 0.00 176.91 180.93 1v6f h MET 109 N 0.40 0.68 0.20 1.72 1.85 0.66 -2.83 114.93 117.61 1v6f h MET 109 Ca -0.03 -0.17 -0.32 0.00 -0.61 0.00 0.00 59.70 58.58 1v6f h MET 109 Cb 1.28 -0.09 0.02 0.00 0.43 0.00 0.00 31.60 33.25 1v6f h MET 109 CO 0.13 0.70 -1.49 1.88 -0.40 0.00 0.00 176.91 177.73 1v6f h TYR 110 N 0.55 0.78 -0.01 1.39 0.05 -1.36 -3.14 116.97 115.24 1v6f h TYR 110 Ca 0.13 -0.57 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1v6f h TYR 110 Cb 0.33 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 1v6f h TYR 110 CO 0.02 1.57 -0.02 0.00 -1.05 0.00 0.00 178.16 178.68 1v6f h ALA 111 N 0.10 -0.38 0.30 3.88 0.00 0.11 0.39 119.26 123.66 1v6f h ALA 111 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1v6f h ALA 111 Cb 2.03 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 20.45 1v6f h ALA 111 CO 0.20 -0.39 -0.31 0.78 0.00 0.00 0.00 179.25 179.54 1v6f h GLY 112 N -0.02 -0.70 -0.36 0.00 0.00 -1.69 -2.18 103.07 98.12 1v6f h GLY 112 Ca 0.00 0.35 0.30 0.00 0.00 0.00 0.00 47.33 47.99 1v6f h GLY 112 CO -0.02 -0.27 0.68 1.76 0.00 0.00 0.00 176.54 178.69 1v6f h SER 113 N -0.64 0.45 0.06 0.19 0.02 -1.48 -0.67 113.55 111.48 1v6f h SER 113 Ca -0.01 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1v6f h SER 113 Cb 0.59 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 1v6f h SER 113 CO -0.06 0.01 -0.40 0.50 -1.14 0.00 0.00 176.83 175.74 1v6f h LYS 114 N 0.36 -0.57 -0.49 3.45 3.64 0.45 -2.84 116.57 120.57 1v6f h LYS 114 Ca 0.66 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 60.12 1v6f h LYS 114 Cb 1.68 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.57 1v6f h LYS 114 CO -0.38 -0.38 -0.29 -1.71 -2.27 0.00 0.00 179.45 174.42 1v6f n ASN 115 N -5.45 -0.52 -0.25 4.20 4.05 -0.26 0.77 115.26 117.80 1v6f n ASN 115 Ca -0.06 1.13 0.02 0.00 0.45 0.00 0.00 54.58 56.11 1v6f n ASN 115 Cb 0.36 -0.24 0.09 0.00 1.23 0.00 0.00 39.78 41.22 1v6f n ASN 115 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 1v6f h LYS 116 N 0.00 0.01 -0.23 1.20 3.64 -1.60 -0.69 116.57 118.89 1v6f h LYS 116 Ca 0.08 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1v6f h LYS 116 Cb 0.20 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1v6f h LYS 116 CO -0.46 0.00 -0.36 -0.07 -2.27 0.00 0.00 179.45 176.30 1v6f h LEU 117 N 0.01 -1.15 -1.37 5.20 3.38 0.52 0.43 115.31 122.32 1v6f h LEU 117 Ca 0.36 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.52 1v6f h LEU 117 Cb 0.55 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1v6f h LEU 117 CO -0.75 -0.37 0.57 0.58 0.09 0.00 0.00 178.44 178.56 1v6f h VAL 118 N -0.37 0.02 0.02 1.22 2.07 -0.27 0.57 116.25 119.52 1v6f h VAL 118 Ca 0.12 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.29 1v6f h VAL 118 Cb 0.57 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1v6f h VAL 118 CO -0.44 0.00 -2.16 0.00 0.02 0.00 0.00 177.57 175.00 1v6f n GLN 119 N -2.83 0.68 -0.02 1.57 1.13 0.12 -1.48 117.38 116.54 1v6f n GLN 119 Ca -0.00 0.15 -0.12 0.00 -1.94 0.00 0.00 57.00 55.09 1v6f n GLN 119 Cb 0.62 -1.63 0.01 0.00 0.11 0.00 0.00 30.24 29.35 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 1.31 -0.01 5.09 2.02 0.25 -3.00 112.91 118.58 1v6f h THR 120 Ca -0.46 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1v6f h THR 120 Cb 2.08 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 1v6f h THR 120 CO 0.03 0.57 -0.25 0.00 0.37 0.00 0.00 175.52 176.25 1v6f n ALA 121 N -2.54 3.05 -3.44 6.16 0.00 0.30 -4.73 120.51 119.30 1v6f n ALA 121 Ca -0.04 -0.36 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 1v6f n ALA 121 Cb 0.63 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.82 -4.52 -4.27 0.00 1.02 -1.14 -4.82 120.64 106.08 1v6f n GLU 122 Ca 0.12 0.79 -0.35 0.00 -0.02 0.00 0.00 57.16 57.70 1v6f n GLU 122 Cb 0.33 -5.62 -0.09 0.00 -0.02 0.00 0.00 31.44 26.04 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 -6.11 3.69 -0.23 -4.62 1.43 -0.55 -5.01 118.68 107.29 1v6f s LEU 123 Ca 0.18 0.16 0.10 0.00 -1.03 0.00 0.00 54.13 53.54 1v6f s LEU 123 Cb -0.03 -1.86 -0.21 0.00 0.03 0.00 0.00 46.19 44.12 1v6f s LEU 123 CO 0.76 0.35 -0.07 0.35 0.23 0.00 0.00 176.35 177.97 1v6f n THR 124 N 2.35 1.45 -3.31 5.49 -2.24 -1.26 -4.78 114.28 111.98 1v6f n THR 124 Ca -0.19 -0.71 -0.39 0.00 -2.27 0.00 0.00 64.05 60.49 1v6f n THR 124 Cb 0.54 -0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.51 4.07 -0.25 -0.78 3.01 -1.26 -5.04 119.74 116.98 1v6f s LYS 125 Ca -0.22 0.22 0.00 0.00 -1.01 0.00 0.00 55.97 54.95 1v6f s LYS 125 Cb 0.08 -3.64 0.07 0.00 -1.01 0.00 0.00 37.83 33.33 1v6f s LYS 125 CO 0.72 -0.28 -0.01 0.08 0.51 0.00 0.00 175.35 176.37 1v6f s VAL 126 N 2.08 1.35 0.12 3.17 1.01 -1.26 -0.94 120.40 125.92 1v6f s VAL 126 Ca 0.19 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 60.99 1v6f s VAL 126 Cb -0.16 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1v6f s VAL 126 CO 0.09 -0.25 -0.08 -0.36 0.00 0.00 0.00 175.10 174.50 1v6f s PHE 127 N 1.45 2.76 -0.00 5.22 0.08 -0.02 -4.97 117.98 122.50 1v6f s PHE 127 Ca -0.01 -0.15 0.04 0.00 0.12 0.00 0.00 56.93 56.93 1v6f s PHE 127 Cb -0.18 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 1v6f s PHE 127 CO -0.09 0.45 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.33 1v6f s GLU 128 N -2.35 1.12 -0.07 0.44 -6.30 -1.26 -0.02 118.70 110.25 1v6f s GLU 128 Ca 0.23 -0.55 0.04 0.00 -2.50 0.00 0.00 54.97 52.19 1v6f s GLU 128 Cb -0.11 -1.09 -0.01 0.00 0.00 0.00 0.00 34.13 32.92 1v6f s GLU 128 CO 0.15 0.30 -0.21 0.96 0.02 0.00 0.00 175.26 176.47 1v6f s ILE 129 N -0.42 2.40 0.40 -3.70 -4.36 -1.13 -4.94 121.20 109.44 1v6f s ILE 129 Ca 0.05 -0.93 0.09 0.00 -0.26 0.00 0.00 60.65 59.59 1v6f s ILE 129 Cb -0.06 -1.92 0.19 0.00 1.25 0.00 0.00 42.46 41.93 1v6f s ILE 129 CO -0.00 0.56 1.96 0.08 0.24 0.00 0.00 174.94 177.78 1v6f h ARG 130 N 6.14 0.32 -3.17 0.37 0.11 -1.90 -2.77 114.38 113.50 1v6f h ARG 130 Ca -0.31 -0.06 -0.14 0.00 0.10 0.00 0.00 59.98 59.57 1v6f h ARG 130 Cb 1.19 -0.05 -0.23 0.00 1.11 0.00 0.00 29.97 31.98 1v6f h ARG 130 CO 0.49 0.37 -0.39 -0.80 0.10 0.00 0.00 179.97 179.74 1v6f s ASN 131 N -6.84 -0.19 0.54 0.08 0.01 -1.26 -0.82 114.94 106.47 1v6f s ASN 131 Ca -0.06 0.25 0.35 0.00 -0.71 0.00 0.00 52.86 52.68 1v6f s ASN 131 Cb 0.16 0.41 1.53 0.00 0.41 0.00 0.00 41.25 43.75 1v6f s ASN 131 CO 0.73 -0.25 1.83 0.71 -1.51 0.00 0.00 177.10 178.61 1v6f h THR 132 N 4.38 0.46 -0.85 1.60 1.35 -1.85 0.23 112.91 118.22 1v6f h THR 132 Ca -0.28 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.61 1v6f h THR 132 Cb 1.19 0.46 -0.05 0.00 -1.73 0.00 0.00 68.15 68.02 1v6f h THR 132 CO 0.37 0.00 0.55 -0.33 -0.25 0.00 0.00 175.52 175.86 1v6f h GLU 133 N 0.00 1.04 -0.91 4.72 5.08 -1.95 -1.86 114.58 120.69 1v6f h GLU 133 Ca 0.51 -0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.95 1v6f h GLU 133 Cb 2.07 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 31.01 1v6f h GLU 133 CO -0.01 0.69 0.58 -0.44 -1.00 0.00 0.00 179.01 178.84 1v6f h ASP 134 N 1.07 0.72 -0.67 1.42 5.19 -0.96 -3.38 116.42 119.81 1v6f h ASP 134 Ca 0.33 0.04 -0.20 0.00 -0.62 0.00 0.00 57.03 56.59 1v6f h ASP 134 Cb -0.01 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1v6f h ASP 134 CO -0.11 0.37 0.78 -0.11 -3.12 0.00 0.00 179.24 177.05 1v6f n LEU 135 N -4.57 1.58 -4.11 1.55 7.94 -0.70 -4.68 117.00 114.00 1v6f n LEU 135 Ca 0.18 -1.03 -0.10 0.00 -1.11 0.00 0.00 56.01 53.95 1v6f n LEU 135 Cb 0.44 -1.50 -0.09 0.00 0.53 0.00 0.00 43.42 42.80 1v6f n LEU 135 CO 0.29 -2.11 -0.24 0.42 -1.11 0.00 0.00 177.39 174.63 1v6f s THR 136 N 12.42 0.10 0.10 1.96 -4.23 -1.26 -4.33 115.64 120.40 1v6f s THR 136 Ca 1.00 -1.81 -0.34 0.00 -1.18 0.00 0.00 61.69 59.37 1v6f s THR 136 Cb -0.27 -1.99 -0.14 0.00 1.34 0.00 0.00 72.50 71.44 1v6f s THR 136 CO 0.20 -0.45 1.57 -0.08 -0.54 0.00 0.00 174.62 175.32 1v6f h GLU 137 N 2.81 -0.75 -0.91 3.99 4.81 -1.89 -0.73 114.58 121.91 1v6f h GLU 137 Ca -0.34 0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.12 1v6f h GLU 137 Cb 1.20 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.65 1v6f h GLU 137 CO 0.57 -0.50 0.48 1.49 -0.73 0.00 0.00 179.01 180.32 1v6f h GLU 138 N -0.78 0.59 -0.79 1.92 4.81 -1.97 0.29 114.58 118.65 1v6f h GLU 138 Ca -0.01 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1v6f h GLU 138 Cb 0.77 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1v6f h GLU 138 CO -0.24 0.39 0.52 2.35 -0.73 0.00 0.00 179.01 181.31 1v6f h TRP 139 N 0.61 0.99 0.47 0.92 7.01 -1.60 -2.52 115.95 121.83 1v6f h TRP 139 Ca 0.52 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.53 1v6f h TRP 139 Cb 0.83 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1v6f h TRP 139 CO -0.07 0.62 -0.42 -0.07 -2.79 0.00 0.00 178.44 175.71 1v6f h LEU 140 N 1.07 -1.13 -1.90 0.65 3.38 0.50 -1.01 115.31 116.86 1v6f h LEU 140 Ca 0.29 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.39 1v6f h LEU 140 Cb -0.12 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1v6f h LEU 140 CO -0.06 -0.57 0.40 0.03 0.09 0.00 0.00 178.44 178.33 1v6f h ARG 141 N -0.88 0.00 -0.13 1.13 3.08 -1.41 0.12 114.38 116.29 1v6f h ARG 141 Ca -0.06 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1v6f h ARG 141 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1v6f h ARG 141 CO -0.02 0.00 -0.46 1.49 -1.07 0.00 0.00 179.97 179.91 1v6f h GLU 142 N 0.00 0.54 -0.31 0.04 4.57 -0.75 0.19 114.58 118.85 1v6f h GLU 142 Ca 0.07 -0.41 -0.14 0.00 -1.18 0.00 0.00 59.36 57.69 1v6f h GLU 142 Cb 0.87 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1v6f h GLU 142 CO -0.00 1.03 -0.36 0.87 -1.18 0.00 0.00 179.01 179.37 1v6f h LYS 143 N 0.16 0.80 -0.23 1.92 1.79 -0.19 -2.97 116.57 117.85 1v6f h LYS 143 Ca -0.02 -0.44 -0.16 0.00 -2.18 0.00 0.00 60.65 57.84 1v6f h LYS 143 Cb 1.09 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1v6f h LYS 143 CO 0.10 1.07 -0.53 -0.07 -1.08 0.00 0.00 179.45 178.94 1v6f h LEU 144 N 0.57 0.72 0.42 2.94 3.38 -1.42 -3.28 115.31 118.65 1v6f h LEU 144 Ca 0.04 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1v6f h LEU 144 Cb 0.95 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1v6f h LEU 144 CO 0.09 1.11 -0.37 1.23 0.09 0.00 0.00 178.44 180.60 1v6f h GLY 145 N 0.96 -0.89 -6.95 0.83 0.00 -0.93 -3.42 103.07 92.67 1v6f h GLY 145 Ca 0.02 0.42 -0.36 0.00 0.00 0.00 0.00 47.33 47.40 1v6f h GLY 145 CO 0.11 -0.32 -0.68 -0.56 0.00 0.00 0.00 176.54 175.09 1v6f s SER 146 N -4.53 1.51 0.00 0.19 0.01 -1.13 -5.09 113.70 104.66 1v6f s SER 146 Ca -0.17 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1v6f s SER 146 Cb 0.05 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1v6f s SER 146 CO 0.63 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1v6f n GLY 147 N 5.31 4.48 0.00 3.44 0.00 -1.24 -4.67 105.19 112.52 1v6f n GLY 147 Ca -0.06 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1v6f n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v6f n PRO 148 N 0.00 0.49 -2.76 1.61 -0.04 -1.26 -4.78 135.00 128.27 1v6f n PRO 148 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1v6f n PRO 148 Cb 0.00 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1v6f n PRO 148 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v6f s SER 149 N -1.86 7.19 0.41 3.54 0.15 -1.26 -5.02 113.70 116.84 1v6f s SER 149 Ca 0.17 1.83 -0.26 0.00 0.70 0.00 0.00 55.95 58.40 1v6f s SER 149 Cb 0.08 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 61.73 1v6f s SER 149 CO 0.13 -0.18 1.28 -0.55 1.20 0.00 0.00 173.24 175.12 1v6f s SER 150 N -1.72 6.33 0.00 5.45 0.15 -1.26 -5.09 113.70 117.56 1v6f s SER 150 Ca 0.53 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.79 1v6f s SER 150 Cb -0.17 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1v6f s SER 150 CO 0.22 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.44