#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 -0.34 1.23 1.61 0.15 -1.26 -5.17 113.70 109.91 1v6f s SER 2 Ca 0.00 0.48 -0.19 0.00 0.70 0.00 0.00 55.95 56.94 1v6f s SER 2 Cb 0.00 0.43 0.30 0.00 -1.71 0.00 0.00 66.02 65.03 1v6f s SER 2 CO 0.00 -0.24 1.06 -0.94 1.20 0.00 0.00 173.24 174.32 1v6f s SER 3 N -0.65 0.64 0.00 5.45 1.04 -1.26 -5.07 113.70 113.84 1v6f s SER 3 Ca 0.01 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1v6f s SER 3 Cb -0.02 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.96 1v6f s SER 3 CO -0.03 -4.31 0.00 0.61 0.98 0.00 0.00 173.24 170.49 1v6f n GLY 4 N -0.34 2.84 3.55 7.32 0.00 -1.26 -5.18 105.19 112.11 1v6f n GLY 4 Ca 0.11 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1v6f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v6f s SER 5 N 0.00 -0.63 -0.50 1.61 0.01 -1.26 -5.12 113.70 107.81 1v6f s SER 5 Ca 0.00 0.82 -0.05 0.00 1.31 0.00 0.00 55.95 58.03 1v6f s SER 5 Cb 0.00 0.69 0.13 0.00 0.21 0.00 0.00 66.02 67.05 1v6f s SER 5 CO 0.00 -0.50 0.32 -0.94 0.41 0.00 0.00 173.24 172.53 1v6f s SER 6 N -0.85 5.43 -0.13 2.44 1.04 -1.26 -4.72 113.70 115.65 1v6f s SER 6 Ca -0.07 -2.23 -0.00 0.00 0.48 0.00 0.00 55.95 54.12 1v6f s SER 6 Cb -0.01 -1.90 -0.00 0.00 0.10 0.00 0.00 66.02 64.20 1v6f s SER 6 CO 0.07 -0.54 0.12 0.61 0.98 0.00 0.00 173.24 174.47 1v6f n GLY 7 N 4.38 -0.02 3.48 7.32 0.00 -1.26 -4.89 105.19 114.20 1v6f n GLY 7 Ca -0.01 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1v6f n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v6f s SER 8 N -2.51 6.54 -0.30 1.61 0.15 -1.26 -4.88 113.70 113.05 1v6f s SER 8 Ca 0.03 -1.77 -0.10 0.00 0.70 0.00 0.00 55.95 54.81 1v6f s SER 8 Cb -0.00 -2.44 0.18 0.00 -1.71 0.00 0.00 66.02 62.05 1v6f s SER 8 CO 0.11 -1.22 0.93 -0.70 1.20 0.00 0.00 173.24 173.57 1v6f s GLU 9 N 3.38 0.29 -0.97 5.44 2.56 -1.26 -4.97 118.70 123.18 1v6f s GLU 9 Ca 0.34 0.54 -0.04 0.00 0.00 0.00 0.00 54.97 55.81 1v6f s GLU 9 Cb -0.05 0.30 0.00 0.00 2.00 0.00 0.00 34.13 36.38 1v6f s GLU 9 CO -0.07 -0.30 0.83 0.45 -0.56 0.00 0.00 175.26 175.61 1v6f n SER 10 N 5.42 -3.95 -4.75 -1.70 2.88 -1.26 -4.98 113.62 105.27 1v6f n SER 10 Ca -0.06 -0.43 -0.32 0.00 -1.33 0.00 0.00 58.87 56.73 1v6f n SER 10 Cb 0.53 -3.91 0.08 0.00 -0.75 0.00 0.00 64.21 60.16 1v6f n SER 10 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1v6f s LEU 11 N -5.52 3.17 -0.49 2.46 1.43 -1.26 -4.99 118.68 113.48 1v6f s LEU 11 Ca 0.26 1.99 -0.16 0.00 -1.03 0.00 0.00 54.13 55.19 1v6f s LEU 11 Cb -0.11 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.64 1v6f s LEU 11 CO 0.54 -2.04 0.46 -0.69 0.23 0.00 0.00 176.35 174.86 1v6f s VAL 12 N -2.57 5.15 -0.23 -1.59 1.01 -1.25 -5.00 120.40 115.92 1v6f s VAL 12 Ca 0.65 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1v6f s VAL 12 Cb -0.20 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1v6f s VAL 12 CO 0.50 -0.68 0.30 -0.69 0.00 0.00 0.00 175.10 174.53 1v6f s VAL 13 N 1.87 5.25 0.56 2.92 1.01 -1.26 -3.71 120.40 127.04 1v6f s VAL 13 Ca 0.06 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.57 1v6f s VAL 13 Cb -0.24 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1v6f s VAL 13 CO 0.07 0.26 0.77 0.00 0.00 0.00 0.00 175.10 176.21 1v6f s ASP 15 N -4.52 5.79 -0.21 0.00 1.11 -1.26 -4.71 116.67 112.86 1v6f s ASP 15 Ca 0.60 -0.20 -0.13 0.00 0.18 0.00 0.00 52.55 52.99 1v6f s ASP 15 Cb -0.08 -1.40 -0.04 0.00 1.07 0.00 0.00 42.92 42.46 1v6f s ASP 15 CO 0.38 -0.20 0.27 0.68 1.18 0.00 0.00 175.17 177.49 1v6f s VAL 16 N -2.14 5.29 0.05 -1.27 -7.23 -1.26 -0.40 120.40 113.45 1v6f s VAL 16 Ca 0.37 0.44 -0.31 0.00 -1.81 0.00 0.00 61.98 60.68 1v6f s VAL 16 Cb -0.08 -3.61 -0.07 0.00 0.56 0.00 0.00 36.38 33.18 1v6f s VAL 16 CO 0.28 0.32 1.42 0.00 -0.31 0.00 0.00 175.10 176.81 1v6f s ALA 17 N 1.05 3.59 0.34 1.32 0.00 0.51 -4.85 121.76 123.72 1v6f s ALA 17 Ca 0.13 1.01 0.13 0.00 0.00 0.00 0.00 51.96 53.24 1v6f s ALA 17 Cb -0.14 -3.58 1.03 0.00 0.00 0.00 0.00 23.12 20.43 1v6f s ALA 17 CO 0.05 -0.81 1.69 1.05 0.00 0.00 0.00 175.76 177.74 1v6f h GLU 18 N 7.48 0.40 -0.68 0.00 4.11 -1.97 0.76 114.58 124.68 1v6f h GLU 18 Ca -0.40 -0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.11 1v6f h GLU 18 Cb 1.19 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1v6f h GLU 18 CO 0.89 0.27 0.45 -0.44 0.07 0.00 0.00 179.01 180.25 1v6f h ASP 19 N 0.41 0.47 0.00 3.06 5.19 -1.95 -1.72 116.42 121.88 1v6f h ASP 19 Ca 0.70 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 57.08 1v6f h ASP 19 Cb 1.54 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.95 1v6f h ASP 19 CO -0.54 0.28 -0.22 0.25 -3.12 0.00 0.00 179.24 175.89 1v6f h LEU 20 N 0.52 0.00 -0.58 1.55 5.85 0.17 -3.36 115.31 119.47 1v6f h LEU 20 Ca 0.32 -0.78 0.09 0.00 0.84 0.00 0.00 57.88 58.35 1v6f h LEU 20 Cb 0.54 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.46 1v6f h LEU 20 CO -0.10 1.02 -0.40 0.58 -0.34 0.00 0.00 178.44 179.20 1v6f h VAL 21 N -1.00 0.12 -0.98 1.05 2.07 -0.95 0.20 116.25 116.76 1v6f h VAL 21 Ca -0.06 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.79 1v6f h VAL 21 Cb 0.92 0.12 -0.17 0.00 -1.52 0.00 0.00 31.29 30.64 1v6f h VAL 21 CO -0.03 0.00 0.39 1.05 0.02 0.00 0.00 177.57 179.00 1v6f h GLU 22 N -0.21 0.13 -0.19 1.57 4.11 -1.49 0.53 114.58 119.04 1v6f h GLU 22 Ca 0.20 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.57 1v6f h GLU 22 Cb 0.56 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1v6f h GLU 22 CO -0.68 0.08 -0.10 0.87 0.07 0.00 0.00 179.01 179.25 1v6f h LYS 23 N 0.13 0.41 -0.44 1.06 1.57 -0.79 -2.88 116.57 115.63 1v6f h LYS 23 Ca 0.71 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 59.32 1v6f h LYS 23 Cb 1.68 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.96 1v6f h LYS 23 CO -0.73 0.71 0.29 -0.07 -0.57 0.00 0.00 179.45 179.08 1v6f h LEU 24 N 0.10 0.51 -0.82 2.94 3.38 0.73 -2.23 115.31 119.91 1v6f h LEU 24 Ca 0.04 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1v6f h LEU 24 Cb 0.59 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 1v6f h LEU 24 CO 0.03 0.37 0.45 0.03 0.09 0.00 0.00 178.44 179.41 1v6f h ARG 25 N 0.60 0.72 -0.55 1.13 3.08 -0.61 -0.87 114.38 117.88 1v6f h ARG 25 Ca 0.16 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 1v6f h ARG 25 Cb -0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1v6f h ARG 25 CO -0.04 0.48 0.10 0.87 -1.07 0.00 0.00 179.97 180.31 1v6f h LYS 26 N 0.74 0.86 -0.86 0.04 1.79 -1.22 -2.61 116.57 115.31 1v6f h LYS 26 Ca 0.40 -0.19 0.16 0.00 -2.18 0.00 0.00 60.65 58.84 1v6f h LYS 26 Cb 0.42 -0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 30.84 1v6f h LYS 26 CO -0.27 0.79 0.43 0.35 -1.08 0.00 0.00 179.45 179.67 1v6f h PHE 27 N 0.82 0.74 -0.05 -1.35 3.04 -0.58 1.41 116.94 120.97 1v6f h PHE 27 Ca 0.17 0.04 -0.20 0.00 3.98 0.00 0.00 57.97 61.96 1v6f h PHE 27 Cb 0.34 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 1v6f h PHE 27 CO 0.02 0.13 -0.81 0.00 -2.02 0.00 0.00 178.31 175.63 1v6f h ARG 28 N 0.57 0.41 -0.80 1.11 2.47 -1.40 -3.23 114.38 113.52 1v6f h ARG 28 Ca 0.48 -0.38 -0.54 0.00 -1.26 0.00 0.00 59.98 58.29 1v6f h ARG 28 Cb 0.75 0.09 -0.31 0.00 -1.65 0.00 0.00 29.97 28.85 1v6f h ARG 28 CO -0.40 1.03 0.11 1.19 0.56 0.00 0.00 179.97 182.45 1v6f n PHE 29 N -3.80 2.68 -3.19 3.04 3.72 -0.08 -5.02 117.46 114.81 1v6f n PHE 29 Ca -0.05 -2.42 -0.32 0.00 -0.05 0.00 0.00 57.45 54.60 1v6f n PHE 29 Cb 0.76 -0.87 -0.06 0.00 -0.94 0.00 0.00 39.48 38.37 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 -3.61 3.95 -0.46 -1.08 1.70 0.47 -4.89 118.95 115.03 1v6f s ARG 30 Ca 0.56 0.57 0.04 0.00 -0.47 0.00 0.00 55.73 56.43 1v6f s ARG 30 Cb 0.46 -2.48 0.43 0.00 -0.57 0.00 0.00 34.95 32.79 1v6f s ARG 30 CO 0.02 0.19 1.39 0.36 -1.08 0.00 0.00 175.30 176.17 1v6f n LYS 31 N -0.35 3.32 -4.62 3.89 -0.00 -1.26 -4.99 118.16 114.14 1v6f n LYS 31 Ca 0.03 -4.06 -0.33 0.00 -0.00 0.00 0.00 58.31 53.94 1v6f n LYS 31 Cb 0.53 -2.27 -0.15 0.00 -0.00 0.00 0.00 35.03 33.14 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 -3.67 3.22 0.06 -1.58 0.41 -1.26 -5.02 118.70 110.85 1v6f s GLU 32 Ca 0.52 -0.76 -0.21 0.00 -0.41 0.00 0.00 54.97 54.11 1v6f s GLU 32 Cb 0.43 -2.59 -0.13 0.00 -1.78 0.00 0.00 34.13 30.06 1v6f s GLU 32 CO -0.09 0.05 1.51 1.15 -0.49 0.00 0.00 175.26 177.40 1v6f h THR 33 N 5.64 1.23 -2.68 3.63 2.02 -2.04 -3.45 112.91 117.26 1v6f h THR 33 Ca -0.30 -0.74 -0.37 0.00 0.77 0.00 0.00 66.41 65.76 1v6f h THR 33 Cb 1.20 1.47 0.20 0.00 -1.74 0.00 0.00 68.15 69.28 1v6f h THR 33 CO 0.56 0.22 -0.33 0.00 0.37 0.00 0.00 175.52 176.34 1v6f n HIS 34 N -4.80 -2.41 -2.33 3.16 1.44 -1.26 -5.03 115.22 104.00 1v6f n HIS 34 Ca -0.05 -0.31 -0.19 0.00 -2.01 0.00 0.00 57.72 55.15 1v6f n HIS 34 Cb 0.19 -1.49 0.11 0.00 0.12 0.00 0.00 29.99 28.92 1v6f n HIS 34 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1v6f n ASN 35 N -3.98 0.81 -3.65 4.39 4.13 -1.26 -4.80 115.26 110.90 1v6f n ASN 35 Ca 0.06 -1.76 -0.06 0.00 1.68 0.00 0.00 54.58 54.51 1v6f n ASN 35 Cb 0.54 -0.58 -0.02 0.00 -1.54 0.00 0.00 39.78 38.19 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 -3.31 -1.71 -0.16 5.41 0.00 -1.26 0.73 121.76 121.45 1v6f s ALA 36 Ca 0.54 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 1v6f s ALA 36 Cb -0.03 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.72 1v6f s ALA 36 CO 0.36 -0.90 0.38 0.00 0.00 0.00 0.00 175.76 175.60 1v6f s ALA 37 N -3.25 -0.96 -0.26 0.00 0.00 0.05 -2.48 121.76 114.85 1v6f s ALA 37 Ca 0.09 1.42 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 1v6f s ALA 37 Cb -0.01 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1v6f s ALA 37 CO -0.02 -0.31 -0.03 0.42 0.00 0.00 0.00 175.76 175.81 1v6f s ILE 38 N 1.53 3.11 0.03 0.00 1.01 -0.50 -0.23 121.20 126.15 1v6f s ILE 38 Ca -0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 1v6f s ILE 38 Cb -0.09 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1v6f s ILE 38 CO -0.12 0.18 0.20 -0.63 0.00 0.00 0.00 174.94 174.57 1v6f s ILE 39 N 1.36 5.40 0.09 2.92 1.01 -1.11 0.10 121.20 130.97 1v6f s ILE 39 Ca 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 1v6f s ILE 39 Cb -0.17 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1v6f s ILE 39 CO -0.03 0.22 -0.01 -0.04 0.00 0.00 0.00 174.94 175.08 1v6f s MET 40 N -2.26 0.75 0.26 2.79 -1.94 -0.45 -1.55 119.30 116.92 1v6f s MET 40 Ca 0.32 -1.31 -0.18 0.00 -1.71 0.00 0.00 55.69 52.80 1v6f s MET 40 Cb -0.13 0.14 0.01 0.00 2.01 0.00 0.00 34.83 36.86 1v6f s MET 40 CO 0.24 -0.14 0.64 -1.59 -0.01 0.00 0.00 175.02 174.15 1v6f s LYS 41 N -3.94 1.69 -0.06 2.03 0.00 -1.02 -2.80 119.74 115.64 1v6f s LYS 41 Ca 0.13 -1.06 0.05 0.00 0.00 0.00 0.00 55.97 55.10 1v6f s LYS 41 Cb 0.07 0.56 -0.02 0.00 0.00 0.00 0.00 37.83 38.45 1v6f s LYS 41 CO -0.05 -0.75 -0.22 0.42 0.00 0.00 0.00 175.35 174.74 1v6f s ILE 42 N -3.95 2.33 0.54 3.79 1.01 -1.26 -2.02 121.20 121.64 1v6f s ILE 42 Ca 0.14 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 1v6f s ILE 42 Cb -0.04 -1.87 0.12 0.00 0.01 0.00 0.00 42.46 40.68 1v6f s ILE 42 CO 0.07 0.57 0.73 -0.67 0.00 0.00 0.00 174.94 175.64 1v6f n ASP 43 N 2.82 0.09 -0.04 3.58 2.03 -1.26 -4.97 116.55 118.80 1v6f n ASP 43 Ca -0.17 -1.29 -0.01 0.00 0.52 0.00 0.00 54.79 53.84 1v6f n ASP 43 Cb 0.52 -0.55 -0.14 0.00 -0.72 0.00 0.00 41.12 40.22 1v6f n ASP 43 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1v6f n LYS 44 N -2.53 0.66 -0.05 -0.67 0.00 -1.26 -4.01 118.16 110.31 1v6f n LYS 44 Ca 0.09 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.34 1v6f n LYS 44 Cb 0.32 -1.59 -0.05 0.00 -0.00 0.00 0.00 35.03 33.71 1v6f n LYS 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1v6f n ASP 45 N -2.64 3.22 0.26 -5.58 8.00 -1.26 -4.56 116.55 113.99 1v6f n ASP 45 Ca -0.19 -0.04 0.17 0.00 0.71 0.00 0.00 54.79 55.44 1v6f n ASP 45 Cb 0.91 0.03 0.70 0.00 -0.02 0.00 0.00 41.12 42.74 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 0.00 0.00 -4.69 -1.24 4.39 -1.98 -3.45 114.58 107.61 1v6f h GLU 46 Ca -0.21 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.27 1v6f h GLU 46 Cb 1.36 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.88 1v6f h GLU 46 CO -0.02 0.00 -0.32 2.89 -1.16 0.00 0.00 179.01 180.40 1v6f n ARG 47 N -2.97 -1.44 -4.26 2.33 -4.01 -1.26 -4.83 116.66 100.23 1v6f n ARG 47 Ca 0.01 0.05 -0.17 0.00 -1.04 0.00 0.00 57.85 56.69 1v6f n ARG 47 Cb 0.28 -2.88 -0.14 0.00 -3.04 0.00 0.00 32.46 26.68 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 -4.12 2.08 -0.23 2.89 2.96 -1.26 -4.25 118.68 116.75 1v6f s LEU 48 Ca 0.29 -0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.66 1v6f s LEU 48 Cb -0.17 -0.38 -0.00 0.00 0.50 0.00 0.00 46.19 46.13 1v6f s LEU 48 CO 0.36 0.03 1.23 -0.69 -1.32 0.00 0.00 176.35 175.96 1v6f s VAL 49 N -0.48 4.31 0.20 1.68 1.01 0.47 -3.97 120.40 123.62 1v6f s VAL 49 Ca 0.01 1.55 0.09 0.00 0.00 0.00 0.00 61.98 63.63 1v6f s VAL 49 Cb -0.05 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1v6f s VAL 49 CO 0.00 -0.27 -0.17 0.68 0.00 0.00 0.00 175.10 175.34 1v6f s VAL 50 N 3.73 1.91 -0.06 2.92 -7.23 -0.86 -0.36 120.40 120.44 1v6f s VAL 50 Ca 0.53 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 1v6f s VAL 50 Cb -0.19 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1v6f s VAL 50 CO 0.16 -0.43 1.32 -0.22 -0.31 0.00 0.00 175.10 175.61 1v6f s LEU 51 N -3.05 4.27 -0.11 1.32 1.98 -1.26 -2.43 118.68 119.39 1v6f s LEU 51 Ca 0.21 1.92 -0.21 0.00 -2.89 0.00 0.00 54.13 53.16 1v6f s LEU 51 Cb -0.04 -3.55 -0.27 0.00 0.66 0.00 0.00 46.19 42.99 1v6f s LEU 51 CO 0.08 -0.70 0.64 -0.78 -1.89 0.00 0.00 176.35 173.71 1v6f h ASP 52 N 7.91 0.27 -4.81 3.68 1.82 -1.62 -3.48 116.42 120.18 1v6f h ASP 52 Ca -0.34 -0.86 0.11 0.00 -0.39 0.00 0.00 57.03 55.55 1v6f h ASP 52 Cb 1.16 -0.09 -0.13 0.00 0.68 0.00 0.00 39.33 40.94 1v6f h ASP 52 CO 0.91 1.41 0.47 -1.83 -1.61 0.00 0.00 179.24 178.59 1v6f s GLU 53 N -2.39 0.94 -0.20 0.28 -1.05 -1.25 -5.05 118.70 109.98 1v6f s GLU 53 Ca -0.19 -0.39 0.01 0.00 -0.15 0.00 0.00 54.97 54.25 1v6f s GLU 53 Cb 0.02 0.40 0.04 0.00 -0.44 0.00 0.00 34.13 34.15 1v6f s GLU 53 CO 0.74 -0.41 -0.12 -1.21 0.95 0.00 0.00 175.26 175.20 1v6f s GLU 54 N -3.20 2.24 0.06 -4.83 2.02 -1.26 -2.75 118.70 110.97 1v6f s GLU 54 Ca 0.06 -0.87 -0.07 0.00 0.02 0.00 0.00 54.97 54.11 1v6f s GLU 54 Cb -0.01 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.70 1v6f s GLU 54 CO -0.07 -0.39 0.33 -0.51 0.02 0.00 0.00 175.26 174.64 1v6f s LEU 55 N 1.35 4.35 0.10 1.80 1.43 0.68 -4.95 118.68 123.44 1v6f s LEU 55 Ca -0.00 0.64 0.05 0.00 -1.03 0.00 0.00 54.13 53.79 1v6f s LEU 55 Cb -0.16 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 1v6f s LEU 55 CO -0.09 0.19 -0.14 -1.61 0.23 0.00 0.00 176.35 174.93 1v6f s GLU 56 N -1.97 0.94 -1.39 1.70 2.02 -1.26 -0.77 118.70 117.96 1v6f s GLU 56 Ca 0.32 -1.14 -0.09 0.00 0.02 0.00 0.00 54.97 54.08 1v6f s GLU 56 Cb -0.13 -0.86 0.01 0.00 0.10 0.00 0.00 34.13 33.25 1v6f s GLU 56 CO 0.18 0.17 0.36 0.41 0.02 0.00 0.00 175.26 176.41 1v6f n GLY 57 N 0.79 -0.39 3.81 -1.39 0.00 0.22 -4.85 105.19 103.38 1v6f n GLY 57 Ca -0.17 0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.98 1.80 0.25 1.61 -7.23 -1.26 -4.86 120.40 106.74 1v6f s VAL 58 Ca 0.15 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 58.72 1v6f s VAL 58 Cb -0.07 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 1v6f s VAL 58 CO 0.94 0.00 -0.13 -0.44 -0.31 0.00 0.00 175.10 175.16 1v6f s SER 59 N -4.04 2.96 0.43 4.85 0.01 -1.26 -4.63 113.70 112.01 1v6f s SER 59 Ca 0.30 -1.08 0.30 0.00 1.31 0.00 0.00 55.95 56.78 1v6f s SER 59 Cb 0.01 -0.20 1.23 0.00 0.21 0.00 0.00 66.02 67.27 1v6f s SER 59 CO 0.18 -0.17 1.88 1.55 0.41 0.00 0.00 173.24 177.09 1v6f h PRO 60 N 2.37 0.00 0.00 12.44 0.13 -1.92 0.35 132.00 145.38 1v6f h PRO 60 Ca -0.39 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1v6f h PRO 60 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1v6f h PRO 60 CO 0.64 0.00 -1.61 -0.25 -0.23 0.00 0.00 178.00 176.54 1v6f n ASP 61 N -2.72 0.41 -0.09 1.44 8.00 -1.26 -3.81 116.55 118.52 1v6f n ASP 61 Ca 0.01 0.17 -0.14 0.00 0.71 0.00 0.00 54.79 55.54 1v6f n ASP 61 Cb 0.26 1.12 -0.14 0.00 -0.02 0.00 0.00 41.12 42.35 1v6f n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1v6f n GLU 62 N -2.53 0.68 0.05 -1.24 -0.58 -1.03 -4.45 120.64 111.53 1v6f n GLU 62 Ca -0.06 0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.68 1v6f n GLU 62 Cb 0.65 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 29.88 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 0.01 -0.17 -1.71 -4.62 5.85 -0.51 -1.52 115.31 112.65 1v6f h LEU 63 Ca -0.50 0.03 0.25 0.00 0.84 0.00 0.00 57.88 58.49 1v6f h LEU 63 Cb 2.08 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 43.15 1v6f h LEU 63 CO 0.01 -0.09 0.83 0.07 -0.34 0.00 0.00 178.44 178.92 1v6f h LYS 64 N -0.11 0.00 -0.43 1.25 2.10 -1.78 0.71 116.57 118.32 1v6f h LYS 64 Ca 0.02 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.54 1v6f h LYS 64 Cb 0.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1v6f h LYS 64 CO -0.06 0.00 -0.25 0.22 -2.00 0.00 0.00 179.45 177.36 1v6f h ASP 65 N 0.00 0.91 -0.05 7.07 1.82 -1.49 -2.51 116.42 122.17 1v6f h ASP 65 Ca 0.41 -0.35 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1v6f h ASP 65 Cb 2.07 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.83 1v6f h ASP 65 CO -0.00 1.11 0.00 -0.62 -1.61 0.00 0.00 179.24 178.11 1v6f n GLU 66 N -4.10 1.22 -4.40 0.28 -0.58 0.25 -4.80 120.64 108.50 1v6f n GLU 66 Ca -0.00 -0.23 -0.28 0.00 -0.42 0.00 0.00 57.16 56.23 1v6f n GLU 66 Cb 0.46 -1.32 -0.12 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.57 2.37 0.43 -4.62 1.43 -0.95 -5.11 118.68 111.66 1v6f s LEU 67 Ca 0.04 -0.80 -0.24 0.00 -1.03 0.00 0.00 54.13 52.10 1v6f s LEU 67 Cb 0.03 -1.20 -0.08 0.00 0.03 0.00 0.00 46.19 44.97 1v6f s LEU 67 CO 0.02 0.15 1.17 -2.16 0.23 0.00 0.00 176.35 175.77 1v6f s PRO 68 N -2.32 3.89 0.00 1.29 0.04 -1.26 -4.96 135.00 131.68 1v6f s PRO 68 Ca 0.17 1.82 0.07 0.00 0.04 0.00 0.00 61.00 63.10 1v6f s PRO 68 Cb -0.09 -2.54 0.18 0.00 0.04 0.00 0.00 34.50 32.09 1v6f s PRO 68 CO 0.08 -0.46 1.12 -0.85 0.04 0.00 0.00 177.00 176.93 1v6f n GLU 69 N -0.23 2.65 0.00 4.56 -0.00 -1.26 -4.57 120.64 121.79 1v6f n GLU 69 Ca 0.06 -1.75 0.00 0.00 -0.00 0.00 0.00 57.16 55.46 1v6f n GLU 69 Cb 0.47 -1.16 0.00 0.00 -0.00 0.00 0.00 31.44 30.75 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 0.15 2.35 -4.60 3.44 1.74 -1.26 -4.73 116.66 113.75 1v6f n ARG 70 Ca 0.07 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.90 1v6f n ARG 70 Cb 0.34 -0.86 -0.14 0.00 -1.02 0.00 0.00 32.46 30.78 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 -1.61 1.35 0.21 5.56 -0.21 -1.26 -3.72 119.66 119.98 1v6f s GLN 71 Ca 0.00 -0.95 -0.30 0.00 0.02 0.00 0.00 55.36 54.13 1v6f s GLN 71 Cb 0.00 -1.47 -0.09 0.00 1.00 0.00 0.00 33.01 32.45 1v6f s GLN 71 CO 0.00 0.37 1.29 -1.25 -2.12 0.00 0.00 175.29 173.59 1v6f s PRO 72 N -1.22 4.40 0.05 2.91 0.04 -1.26 -4.57 135.00 135.35 1v6f s PRO 72 Ca 0.07 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 1v6f s PRO 72 Cb -0.09 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1v6f s PRO 72 CO 0.02 -0.22 0.05 0.50 0.04 0.00 0.00 177.00 177.39 1v6f s ARG 73 N -0.31 0.62 -0.09 4.56 6.06 -0.40 -5.01 118.95 124.38 1v6f s ARG 73 Ca 0.55 -0.96 -0.10 0.00 -2.50 0.00 0.00 55.73 52.72 1v6f s ARG 73 Cb -0.36 0.23 -0.05 0.00 0.06 0.00 0.00 34.95 34.83 1v6f s ARG 73 CO 0.39 -0.15 0.22 -0.06 -2.50 0.00 0.00 175.30 173.21 1v6f s PHE 74 N -3.26 3.62 -0.15 5.12 0.08 -1.12 -2.33 117.98 119.93 1v6f s PHE 74 Ca 0.01 0.65 -0.07 0.00 0.12 0.00 0.00 56.93 57.64 1v6f s PHE 74 Cb 0.03 -2.07 0.06 0.00 -0.57 0.00 0.00 43.02 40.47 1v6f s PHE 74 CO -0.08 0.67 0.34 0.42 -0.10 0.00 0.00 175.22 176.47 1v6f s ILE 75 N -0.91 -0.24 -0.42 0.64 1.09 -1.19 -1.34 121.20 118.84 1v6f s ILE 75 Ca 0.17 0.16 -0.03 0.00 -1.10 0.00 0.00 60.65 59.85 1v6f s ILE 75 Cb -0.13 -0.53 0.11 0.00 -1.06 0.00 0.00 42.46 40.85 1v6f s ILE 75 CO 0.06 0.07 0.21 -0.69 -0.10 0.00 0.00 174.94 174.50 1v6f s VAL 76 N 1.83 3.31 0.16 2.92 1.01 0.12 -1.47 120.40 128.26 1v6f s VAL 76 Ca -0.06 -2.09 -0.04 0.00 0.00 0.00 0.00 61.98 59.79 1v6f s VAL 76 Cb -0.10 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1v6f s VAL 76 CO -0.11 -0.70 0.39 -0.47 0.00 0.00 0.00 175.10 174.21 1v6f s TYR 77 N 1.10 3.47 -0.46 5.22 5.04 -1.22 -1.41 117.35 129.08 1v6f s TYR 77 Ca 0.09 0.54 0.01 0.00 -2.44 0.00 0.00 57.07 55.27 1v6f s TYR 77 Cb -0.23 -1.99 0.12 0.00 0.35 0.00 0.00 41.96 40.21 1v6f s TYR 77 CO -0.04 0.41 0.22 0.45 -1.34 0.00 0.00 175.55 175.25 1v6f s SER 78 N -2.55 4.80 0.89 4.32 0.15 -1.04 -2.63 113.70 117.64 1v6f s SER 78 Ca 0.41 -2.54 -0.12 0.00 0.70 0.00 0.00 55.95 54.39 1v6f s SER 78 Cb -0.12 -1.71 0.13 0.00 -1.71 0.00 0.00 66.02 62.61 1v6f s SER 78 CO 0.25 -0.36 1.13 -0.47 1.20 0.00 0.00 173.24 175.00 1v6f s TYR 79 N 0.38 2.58 -0.34 3.44 5.04 -1.18 -4.37 117.35 122.88 1v6f s TYR 79 Ca 0.14 0.89 -0.02 0.00 -2.44 0.00 0.00 57.07 55.64 1v6f s TYR 79 Cb -0.22 -3.36 0.08 0.00 0.35 0.00 0.00 41.96 38.81 1v6f s TYR 79 CO -0.04 -2.26 0.08 0.21 -1.34 0.00 0.00 175.55 172.21 1v6f s LYS 80 N -5.28 2.19 -0.49 4.97 2.20 -1.26 -2.78 119.74 119.29 1v6f s LYS 80 Ca 0.63 -1.53 -0.16 0.00 -0.36 0.00 0.00 55.97 54.56 1v6f s LYS 80 Cb -0.15 -3.34 0.08 0.00 -1.51 0.00 0.00 37.83 32.92 1v6f s LYS 80 CO 0.53 -0.82 0.42 -0.47 -0.36 0.00 0.00 175.35 174.65 1v6f s TYR 81 N 1.18 3.25 0.17 4.03 6.14 0.70 -4.98 117.35 127.85 1v6f s TYR 81 Ca 0.01 -1.00 -0.25 0.00 0.64 0.00 0.00 57.07 56.48 1v6f s TYR 81 Cb -0.21 -3.30 -0.08 0.00 0.42 0.00 0.00 41.96 38.80 1v6f s TYR 81 CO -0.03 -0.84 0.77 -1.14 0.64 0.00 0.00 175.55 174.95 1v6f s GLN 82 N 1.63 4.53 -0.18 4.97 2.00 -1.26 -1.76 119.66 129.59 1v6f s GLN 82 Ca 0.04 1.12 -0.08 0.00 -2.00 0.00 0.00 55.36 54.44 1v6f s GLN 82 Cb -0.25 -3.21 -0.04 0.00 0.80 0.00 0.00 33.01 30.30 1v6f s GLN 82 CO 0.06 0.55 0.10 -1.01 -0.50 0.00 0.00 175.29 174.49 1v6f s HIS 83 N -1.20 3.35 0.29 1.67 3.76 0.15 -4.96 115.29 118.36 1v6f s HIS 83 Ca 0.37 0.24 0.01 0.00 -0.15 0.00 0.00 55.06 55.53 1v6f s HIS 83 Cb -0.22 -2.09 0.72 0.00 1.11 0.00 0.00 32.58 32.10 1v6f s HIS 83 CO 0.25 0.29 1.61 -0.44 -0.85 0.00 0.00 174.74 175.60 1v6f h ASP 84 N 6.42 -0.26 -0.87 1.40 3.32 -1.97 0.35 116.42 124.81 1v6f h ASP 84 Ca -0.41 0.24 0.23 0.00 0.02 0.00 0.00 57.03 57.10 1v6f h ASP 84 Cb 1.17 0.38 -0.15 0.00 0.22 0.00 0.00 39.33 40.95 1v6f h ASP 84 CO 0.71 -0.26 0.13 -2.24 -1.72 0.00 0.00 179.24 175.86 1v6f h ASP 85 N 0.09 -0.19 0.00 6.45 2.03 -2.04 -3.45 116.42 119.31 1v6f h ASP 85 Ca 0.56 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 57.08 1v6f h ASP 85 Cb 1.16 0.34 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1v6f h ASP 85 CO -0.78 -0.21 0.00 0.61 -1.03 0.00 0.00 179.24 177.83 1v6f n GLY 86 N -1.41 2.06 3.80 7.15 0.00 0.12 -5.14 105.19 111.77 1v6f n GLY 86 Ca 0.20 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.96 -0.03 1.61 3.00 -1.25 -4.74 118.95 121.50 1v6f s ARG 87 Ca 0.00 1.36 -0.00 0.00 -1.00 0.00 0.00 55.73 56.09 1v6f s ARG 87 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 34.95 32.76 1v6f s ARG 87 CO 0.00 -0.30 0.02 0.54 0.00 0.00 0.00 175.30 175.56 1v6f s VAL 88 N -1.93 0.06 0.23 7.11 0.11 -1.26 0.32 120.40 125.04 1v6f s VAL 88 Ca 0.64 0.18 0.12 0.00 -2.93 0.00 0.00 61.98 59.98 1v6f s VAL 88 Cb -0.16 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1v6f s VAL 88 CO 0.21 0.13 -0.22 -0.44 -3.33 0.00 0.00 175.10 171.45 1v6f s SER 89 N 1.21 3.48 -0.74 3.54 0.01 -0.72 -4.95 113.70 115.53 1v6f s SER 89 Ca -0.07 -0.93 -0.09 0.00 1.31 0.00 0.00 55.95 56.16 1v6f s SER 89 Cb -0.13 -0.27 0.19 0.00 0.21 0.00 0.00 66.02 66.02 1v6f s SER 89 CO -0.02 0.08 0.62 -0.31 0.41 0.00 0.00 173.24 174.02 1v6f s TYR 90 N -2.03 3.60 -0.09 2.43 2.02 -1.26 -0.21 117.35 121.82 1v6f s TYR 90 Ca 0.24 -2.30 -0.30 0.00 -0.37 0.00 0.00 57.07 54.35 1v6f s TYR 90 Cb -0.07 -3.55 -0.04 0.00 -0.40 0.00 0.00 41.96 37.90 1v6f s TYR 90 CO 0.12 -0.93 1.52 -1.25 -1.57 0.00 0.00 175.55 173.44 1v6f s PRO 91 N 0.08 4.20 -0.12 -1.71 0.04 -1.12 -4.75 135.00 131.63 1v6f s PRO 91 Ca 0.17 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 63.01 1v6f s PRO 91 Cb -0.15 -3.89 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 1v6f s PRO 91 CO -0.06 -0.79 0.62 -0.51 0.04 0.00 0.00 177.00 176.30 1v6f s LEU 92 N 3.77 4.26 0.32 -3.56 1.02 -1.26 -3.13 118.68 120.10 1v6f s LEU 92 Ca 0.67 0.99 0.07 0.00 0.02 0.00 0.00 54.13 55.87 1v6f s LEU 92 Cb -0.29 -2.92 -0.06 0.00 0.02 0.00 0.00 46.19 42.93 1v6f s LEU 92 CO 0.25 -0.12 -0.04 0.00 0.02 0.00 0.00 176.35 176.45 1v6f s PHE 94 N -2.93 3.30 -0.56 0.00 2.19 -0.21 -3.39 117.98 116.38 1v6f s PHE 94 Ca 0.32 -1.41 -0.18 0.00 0.33 0.00 0.00 56.93 56.00 1v6f s PHE 94 Cb 0.05 -2.63 0.10 0.00 -1.31 0.00 0.00 43.02 39.24 1v6f s PHE 94 CO 0.14 -0.77 0.60 0.42 1.83 0.00 0.00 175.22 177.44 1v6f s ILE 95 N 1.43 4.99 -0.97 3.12 1.01 -0.55 -0.80 121.20 129.44 1v6f s ILE 95 Ca 0.01 -1.12 -0.23 0.00 0.00 0.00 0.00 60.65 59.31 1v6f s ILE 95 Cb -0.21 -4.39 0.05 0.00 0.01 0.00 0.00 42.46 37.92 1v6f s ILE 95 CO 0.03 -0.96 1.40 0.12 0.00 0.00 0.00 174.94 175.53 1v6f s PHE 96 N 2.22 2.51 -0.74 3.97 5.36 -0.00 -3.18 117.98 128.13 1v6f s PHE 96 Ca 0.08 -0.73 -0.26 0.00 -0.96 0.00 0.00 56.93 55.07 1v6f s PHE 96 Cb -0.26 -4.67 -0.01 0.00 -0.34 0.00 0.00 43.02 37.74 1v6f s PHE 96 CO 0.06 -1.94 1.76 0.45 -1.46 0.00 0.00 175.22 174.09 1v6f s SER 97 N 4.70 5.47 -0.35 6.13 0.15 -0.99 -2.69 113.70 126.13 1v6f s SER 97 Ca 0.43 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.92 1v6f s SER 97 Cb -0.02 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.84 1v6f s SER 97 CO -0.06 -2.32 0.07 -0.94 1.20 0.00 0.00 173.24 171.19 1v6f s SER 98 N 7.17 4.85 -0.21 5.45 1.04 -0.89 -1.27 113.70 129.83 1v6f s SER 98 Ca 0.61 -2.02 -0.29 0.00 0.48 0.00 0.00 55.95 54.73 1v6f s SER 98 Cb -0.09 -1.67 -0.03 0.00 0.10 0.00 0.00 66.02 64.33 1v6f s SER 98 CO 0.12 -0.39 1.60 -2.16 0.98 0.00 0.00 173.24 173.39 1v6f s PRO 99 N 0.99 3.84 0.57 4.02 0.04 -1.22 -4.14 135.00 139.09 1v6f s PRO 99 Ca 0.08 1.69 0.37 0.00 0.04 0.00 0.00 61.00 63.18 1v6f s PRO 99 Cb -0.20 -4.02 1.28 0.00 0.04 0.00 0.00 34.50 31.60 1v6f s PRO 99 CO -0.07 -1.24 1.40 0.28 0.04 0.00 0.00 177.00 177.41 1v6f n VAL 100 N 6.30 0.00 1.17 -0.36 0.31 -0.32 0.21 118.33 125.65 1v6f n VAL 100 Ca 0.18 1.34 0.00 0.00 -0.01 0.00 0.00 64.34 65.86 1v6f n VAL 100 Cb 0.45 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1v6f n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v6f n GLY 101 N -1.80 0.87 3.96 2.92 0.00 -1.26 -4.83 105.19 105.04 1v6f n GLY 101 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.31 3.60 -0.01 0.00 -2.85 -1.26 -5.02 119.74 109.88 1v6f s LYS 103 Ca 0.42 -0.03 -0.25 0.00 -1.00 0.00 0.00 55.97 55.11 1v6f s LYS 103 Cb -0.10 -2.62 -0.19 0.00 -2.06 0.00 0.00 37.83 32.86 1v6f s LYS 103 CO 0.35 0.16 1.28 -1.00 0.10 0.00 0.00 175.35 176.23 1v6f h PRO 104 N 1.36 0.06 -1.18 1.78 0.13 -1.98 -2.47 132.00 129.70 1v6f h PRO 104 Ca -0.48 -0.03 0.34 0.00 -0.87 0.00 0.00 66.00 64.96 1v6f h PRO 104 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1v6f h PRO 104 CO 0.65 0.54 1.12 1.49 -0.23 0.00 0.00 178.00 181.57 1v6f h GLU 105 N -0.41 0.00 0.00 0.86 4.57 -1.98 0.17 114.58 117.79 1v6f h GLU 105 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.89 1v6f h GLU 105 Cb 0.52 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 1v6f h GLU 105 CO 0.01 0.00 -1.63 1.04 -1.18 0.00 0.00 179.01 177.24 1v6f n GLN 106 N -3.55 0.58 -0.46 1.92 1.13 -1.17 -3.91 117.38 111.92 1v6f n GLN 106 Ca 0.26 0.48 0.38 0.00 -1.94 0.00 0.00 57.00 56.18 1v6f n GLN 106 Cb 1.49 -1.68 0.67 0.00 0.11 0.00 0.00 30.24 30.83 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 -0.97 0.09 -0.11 -1.09 1.08 -0.22 1.13 115.11 115.02 1v6f h GLN 107 Ca -0.45 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 56.52 1v6f h GLN 107 Cb 1.41 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.83 1v6f h GLN 107 CO -0.26 0.06 -0.83 0.52 -0.95 0.00 0.00 178.83 177.37 1v6f h MET 108 N 0.09 0.71 -0.73 1.46 2.86 -1.55 0.53 114.93 118.32 1v6f h MET 108 Ca 0.80 -0.62 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1v6f h MET 108 Cb 2.61 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 34.38 1v6f h MET 108 CO -0.32 1.23 0.33 1.98 1.06 0.00 0.00 176.91 181.19 1v6f h MET 109 N 0.47 1.06 0.11 1.72 1.85 0.11 -2.91 114.93 117.35 1v6f h MET 109 Ca -0.06 -0.17 -0.25 0.00 -0.61 0.00 0.00 59.70 58.61 1v6f h MET 109 Cb 1.45 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 33.30 1v6f h MET 109 CO 0.16 0.84 -1.27 1.88 -0.40 0.00 0.00 176.91 178.12 1v6f h TYR 110 N 1.03 0.44 0.00 1.39 0.05 -1.25 -3.31 116.97 115.31 1v6f h TYR 110 Ca 0.25 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1v6f h TYR 110 Cb 0.14 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1v6f h TYR 110 CO 0.01 1.50 0.00 0.00 -1.05 0.00 0.00 178.16 178.62 1v6f n ALA 111 N -2.92 -0.06 -0.11 3.88 0.00 0.19 0.24 120.51 121.72 1v6f n ALA 111 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.10 1v6f n ALA 111 Cb 0.87 0.42 -0.06 0.00 0.00 0.00 0.00 19.45 20.68 1v6f n ALA 111 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1v6f h GLY 112 N 0.00 -0.72 -0.11 0.00 0.00 -1.70 0.00 103.07 100.54 1v6f h GLY 112 Ca 0.00 0.59 0.22 0.00 0.00 0.00 0.00 47.33 48.15 1v6f h GLY 112 CO 0.00 -0.17 0.51 1.48 0.00 0.00 0.00 176.54 178.35 1v6f h SER 113 N -0.38 0.55 0.03 0.19 4.64 -1.52 -2.06 113.55 114.99 1v6f h SER 113 Ca 0.11 0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.58 1v6f h SER 113 Cb 0.60 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 1v6f h SER 113 CO -0.55 0.09 -0.39 0.50 -0.87 0.00 0.00 176.83 175.61 1v6f h LYS 114 N 0.53 -0.49 -0.73 4.77 3.64 0.18 -2.14 116.57 122.34 1v6f h LYS 114 Ca 0.59 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 60.10 1v6f h LYS 114 Cb 1.09 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.91 1v6f h LYS 114 CO -0.48 -0.33 -0.33 -1.71 -2.27 0.00 0.00 179.45 174.33 1v6f n ASN 115 N -4.64 -0.57 -0.08 4.20 2.85 -0.78 0.11 115.26 116.36 1v6f n ASN 115 Ca -0.06 1.28 -0.07 0.00 -0.11 0.00 0.00 54.58 55.63 1v6f n ASN 115 Cb 0.29 -0.25 -0.01 0.00 1.24 0.00 0.00 39.78 41.05 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 -0.59 1.20 3.64 -1.46 -2.14 116.57 117.20 1v6f h LYS 116 Ca 0.21 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.71 1v6f h LYS 116 Cb 0.39 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.11 1v6f h LYS 116 CO -0.71 -0.01 -0.10 -0.07 -2.27 0.00 0.00 179.45 176.29 1v6f h LEU 117 N -0.02 -0.45 -2.19 5.20 3.38 0.14 0.70 115.31 122.07 1v6f h LEU 117 Ca 0.14 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1v6f h LEU 117 Cb 0.24 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1v6f h LEU 117 CO -0.31 -0.17 0.27 0.58 0.09 0.00 0.00 178.44 178.90 1v6f h VAL 118 N 0.03 0.05 0.03 1.22 2.07 -0.61 0.11 116.25 119.15 1v6f h VAL 118 Ca 0.29 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.48 1v6f h VAL 118 Cb 0.46 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1v6f h VAL 118 CO -0.57 0.00 -2.00 0.00 0.02 0.00 0.00 177.57 175.01 1v6f n GLN 119 N -3.03 0.68 -0.05 1.57 1.13 0.23 -1.56 117.38 116.34 1v6f n GLN 119 Ca -0.01 0.21 -0.14 0.00 -1.94 0.00 0.00 57.00 55.12 1v6f n GLN 119 Cb 0.34 -1.69 -0.07 0.00 0.11 0.00 0.00 30.24 28.93 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 0.02 1.37 0.00 5.09 2.02 0.99 -3.00 112.91 119.39 1v6f h THR 120 Ca -0.41 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1v6f h THR 120 Cb 2.06 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1v6f h THR 120 CO 0.05 0.43 0.00 0.00 0.37 0.00 0.00 175.52 176.37 1v6f n ALA 121 N -2.46 2.57 -3.63 6.16 0.00 -0.06 -4.86 120.51 118.22 1v6f n ALA 121 Ca -0.07 -0.17 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1v6f n ALA 121 Cb 0.42 -1.50 0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.17 -6.89 -3.49 0.00 1.02 -1.13 -4.88 120.64 104.10 1v6f n GLU 122 Ca 0.18 0.77 -0.38 0.00 -0.02 0.00 0.00 57.16 57.72 1v6f n GLU 122 Cb 0.19 -5.73 -0.06 0.00 -0.02 0.00 0.00 31.44 25.81 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 -7.02 4.38 -0.21 -4.62 1.43 -0.60 -4.98 118.68 107.06 1v6f s LEU 123 Ca 0.40 0.81 0.09 0.00 -1.03 0.00 0.00 54.13 54.40 1v6f s LEU 123 Cb -0.18 -2.54 -0.21 0.00 0.03 0.00 0.00 46.19 43.28 1v6f s LEU 123 CO 0.76 0.21 -0.00 0.35 0.23 0.00 0.00 176.35 177.90 1v6f n THR 124 N 2.60 1.48 -3.29 5.49 -2.24 -1.26 -4.74 114.28 112.31 1v6f n THR 124 Ca -0.12 -0.71 -0.39 0.00 -2.27 0.00 0.00 64.05 60.55 1v6f n THR 124 Cb 0.52 -1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 67.66 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 -2.52 4.10 -0.17 -0.78 3.01 -1.26 -5.05 119.74 117.08 1v6f s LYS 125 Ca -0.22 0.27 -0.01 0.00 -1.01 0.00 0.00 55.97 55.01 1v6f s LYS 125 Cb 0.07 -3.62 0.05 0.00 -1.01 0.00 0.00 37.83 33.32 1v6f s LYS 125 CO 0.72 -0.25 -0.03 0.08 0.51 0.00 0.00 175.35 176.39 1v6f s VAL 126 N 1.98 0.92 0.17 3.17 1.01 -1.26 -1.04 120.40 125.34 1v6f s VAL 126 Ca 0.20 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 61.72 1v6f s VAL 126 Cb -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1v6f s VAL 126 CO 0.09 0.04 -0.24 -0.36 0.00 0.00 0.00 175.10 174.64 1v6f s PHE 127 N 1.71 2.21 -0.01 5.22 0.08 0.02 -4.94 117.98 122.26 1v6f s PHE 127 Ca 0.00 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.72 1v6f s PHE 127 Cb -0.16 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.15 1v6f s PHE 127 CO -0.07 0.41 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.32 1v6f s GLU 128 N -2.45 1.12 -0.09 0.44 -6.30 -1.26 -0.82 118.70 109.34 1v6f s GLU 128 Ca 0.17 -0.53 0.03 0.00 -2.50 0.00 0.00 54.97 52.14 1v6f s GLU 128 Cb -0.08 -1.09 -0.01 0.00 0.00 0.00 0.00 34.13 32.94 1v6f s GLU 128 CO 0.08 0.30 -0.18 0.96 0.02 0.00 0.00 175.26 176.43 1v6f s ILE 129 N -0.38 2.61 0.39 -3.70 -4.36 -1.10 -4.94 121.20 109.74 1v6f s ILE 129 Ca 0.05 -0.85 0.14 0.00 -0.26 0.00 0.00 60.65 59.73 1v6f s ILE 129 Cb -0.06 -2.03 0.13 0.00 1.25 0.00 0.00 42.46 41.75 1v6f s ILE 129 CO -0.00 0.56 1.89 0.08 0.24 0.00 0.00 174.94 177.70 1v6f h ARG 130 N 6.25 0.00 -2.87 0.37 0.11 -1.89 -2.37 114.38 113.99 1v6f h ARG 130 Ca -0.30 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.63 1v6f h ARG 130 Cb 1.19 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 32.01 1v6f h ARG 130 CO 0.51 0.30 -0.36 -0.80 0.10 0.00 0.00 179.97 179.72 1v6f s ASN 131 N -6.92 -0.38 0.54 0.08 0.01 -1.26 -1.17 114.94 105.85 1v6f s ASN 131 Ca -0.03 0.70 0.45 0.00 -0.71 0.00 0.00 52.86 53.26 1v6f s ASN 131 Cb 0.15 0.64 1.66 0.00 0.41 0.00 0.00 41.25 44.10 1v6f s ASN 131 CO 0.71 -0.15 1.63 0.71 -1.51 0.00 0.00 177.10 178.49 1v6f h THR 132 N 5.24 0.12 -0.71 1.60 1.35 -1.84 0.72 112.91 119.39 1v6f h THR 132 Ca -0.33 -0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.58 1v6f h THR 132 Cb 1.18 0.10 -0.06 0.00 -1.73 0.00 0.00 68.15 67.64 1v6f h THR 132 CO 0.32 0.00 0.41 -0.33 -0.25 0.00 0.00 175.52 175.67 1v6f h GLU 133 N 0.01 0.73 -0.96 4.72 4.39 -1.95 -1.58 114.58 119.94 1v6f h GLU 133 Ca 0.84 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 60.60 1v6f h GLU 133 Cb 3.27 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 31.68 1v6f h GLU 133 CO -0.06 0.48 0.61 0.22 -1.16 0.00 0.00 179.01 179.10 1v6f h ASP 134 N 0.75 0.88 -0.19 1.42 1.82 0.06 -3.37 116.42 117.79 1v6f h ASP 134 Ca 0.32 0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.95 1v6f h ASP 134 Cb 0.19 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1v6f h ASP 134 CO -0.18 0.50 0.34 -0.11 -1.61 0.00 0.00 179.24 178.17 1v6f n LEU 135 N -4.57 0.95 -4.37 2.28 7.94 -0.59 -4.66 117.00 113.99 1v6f n LEU 135 Ca 0.17 -1.67 -0.19 0.00 -1.11 0.00 0.00 56.01 53.21 1v6f n LEU 135 Cb 0.32 -1.46 -0.10 0.00 0.53 0.00 0.00 43.42 42.71 1v6f n LEU 135 CO 0.29 -2.74 -0.25 0.42 -1.11 0.00 0.00 177.39 174.01 1v6f s THR 136 N 12.67 0.75 0.09 1.96 -4.23 -1.25 -4.10 115.64 121.53 1v6f s THR 136 Ca 0.87 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 59.04 1v6f s THR 136 Cb -0.19 -2.67 -0.15 0.00 1.34 0.00 0.00 72.50 70.83 1v6f s THR 136 CO 0.17 0.00 1.58 -0.08 -0.54 0.00 0.00 174.62 175.75 1v6f h GLU 137 N 2.26 -0.85 -0.66 3.99 4.57 -1.88 0.21 114.58 122.23 1v6f h GLU 137 Ca -0.39 0.06 0.13 0.00 -1.18 0.00 0.00 59.36 57.98 1v6f h GLU 137 Cb 1.25 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 29.94 1v6f h GLU 137 CO 0.63 -0.56 0.16 1.49 -1.18 0.00 0.00 179.01 179.55 1v6f h GLU 138 N -0.88 0.28 -0.52 1.92 4.81 -1.97 -0.81 114.58 117.41 1v6f h GLU 138 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1v6f h GLU 138 Cb 0.79 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1v6f h GLU 138 CO -0.11 0.19 0.28 2.35 -0.73 0.00 0.00 179.01 180.99 1v6f h TRP 139 N 0.29 0.71 0.20 0.92 7.01 -1.72 -2.28 115.95 121.09 1v6f h TRP 139 Ca 0.35 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.33 1v6f h TRP 139 Cb 0.55 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1v6f h TRP 139 CO -0.24 0.53 -0.22 1.25 -2.79 0.00 0.00 178.44 176.97 1v6f h LEU 140 N 0.69 -0.61 -1.76 0.65 5.85 0.82 -1.84 115.31 119.12 1v6f h LEU 140 Ca 0.18 0.05 0.31 0.00 0.84 0.00 0.00 57.88 59.27 1v6f h LEU 140 Cb 0.05 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1v6f h LEU 140 CO -0.03 -0.28 0.78 0.03 -0.34 0.00 0.00 178.44 178.59 1v6f h ARG 141 N -0.42 0.14 -0.10 1.25 3.08 -1.36 0.11 114.38 117.07 1v6f h ARG 141 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1v6f h ARG 141 Cb 0.37 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1v6f h ARG 141 CO -0.03 0.09 0.06 1.49 -1.07 0.00 0.00 179.97 180.51 1v6f h GLU 142 N 0.14 0.13 -0.69 0.04 4.57 -0.74 0.46 114.58 118.50 1v6f h GLU 142 Ca 0.57 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.70 1v6f h GLU 142 Cb 1.98 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.51 1v6f h GLU 142 CO -0.12 0.11 0.27 0.87 -1.18 0.00 0.00 179.01 178.95 1v6f h LYS 143 N 0.12 1.01 0.00 1.92 1.79 -0.23 -2.37 116.57 118.81 1v6f h LYS 143 Ca 0.04 -0.17 -0.14 0.00 -2.18 0.00 0.00 60.65 58.19 1v6f h LYS 143 Cb 0.00 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 1v6f h LYS 143 CO -0.01 0.83 -0.69 -0.07 -1.08 0.00 0.00 179.45 178.44 1v6f h LEU 144 N 0.99 0.00 -4.75 2.94 3.38 -1.09 -3.26 115.31 113.52 1v6f h LEU 144 Ca 0.23 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.48 1v6f h LEU 144 Cb 0.20 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.65 1v6f h LEU 144 CO -0.02 0.69 0.67 0.61 0.09 0.00 0.00 178.44 180.48 1v6f n GLY 145 N 0.48 5.68 2.37 0.83 0.00 0.16 -4.69 105.19 110.03 1v6f n GLY 145 Ca -0.01 -2.52 -0.32 0.00 0.00 0.00 0.00 46.02 43.17 1v6f n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v6f n SER 146 N -0.58 6.63 0.00 1.61 7.64 -1.11 -4.89 113.62 122.92 1v6f n SER 146 Ca 0.52 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.62 1v6f n SER 146 Cb 0.38 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1v6f n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v6f n GLY 147 N -0.75 3.28 0.00 0.23 0.00 -1.26 -4.83 105.19 101.86 1v6f n GLY 147 Ca 0.54 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 45.04 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 0.24 0.49 -1.41 1.61 -0.04 -1.26 -4.87 135.00 129.76 1v6f n PRO 148 Ca 0.00 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.91 1v6f n PRO 148 Cb 0.00 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 1v6f n PRO 148 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v6f n SER 149 N -0.77 0.88 -4.59 3.54 2.88 -1.26 -4.80 113.62 109.49 1v6f n SER 149 Ca 0.06 0.97 -0.43 0.00 -1.33 0.00 0.00 58.87 58.15 1v6f n SER 149 Cb 0.03 -0.72 -0.02 0.00 -0.75 0.00 0.00 64.21 62.74 1v6f n SER 149 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1v6f s SER 150 N 2.17 6.54 0.00 -3.46 0.01 -1.26 -5.15 113.70 112.55 1v6f s SER 150 Ca 0.85 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1v6f s SER 150 Cb -1.21 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 62.47 1v6f s SER 150 CO 0.65 -1.35 0.21 0.61 0.41 0.00 0.00 173.24 173.77