#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 5.95 0.21 1.61 1.04 -1.26 -4.96 113.70 116.29 1v6f s SER 2 Ca 0.00 -0.47 0.06 0.00 0.48 0.00 0.00 55.95 56.03 1v6f s SER 2 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 1v6f s SER 2 CO 0.00 -1.97 -0.10 -0.55 0.98 0.00 0.00 173.24 171.61 1v6f s SER 3 N 5.23 2.35 0.81 7.02 0.15 -1.26 -5.16 113.70 122.84 1v6f s SER 3 Ca 0.47 -1.08 -0.04 0.00 0.70 0.00 0.00 55.95 55.99 1v6f s SER 3 Cb -0.08 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.21 1v6f s SER 3 CO 0.11 -0.29 0.47 0.61 1.20 0.00 0.00 173.24 175.33 1v6f n GLY 4 N -0.39 -0.48 2.51 9.45 0.00 -1.26 -5.04 105.19 109.97 1v6f n GLY 4 Ca -0.07 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 1v6f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v6f n SER 5 N -3.19 2.95 -4.62 1.61 7.64 -1.26 -5.09 113.62 111.66 1v6f n SER 5 Ca 0.06 -2.76 -0.57 0.00 1.01 0.00 0.00 58.87 56.61 1v6f n SER 5 Cb 0.23 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 62.93 1v6f n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v6f n SER 6 N -0.62 1.38 0.00 6.43 7.64 -1.26 -4.79 113.62 122.40 1v6f n SER 6 Ca 0.22 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1v6f n SER 6 Cb 0.86 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1v6f n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v6f n GLY 7 N 2.93 -0.99 3.43 0.23 0.00 -1.26 -5.08 105.19 104.46 1v6f n GLY 7 Ca 0.23 -1.61 -0.62 0.00 0.00 0.00 0.00 46.02 44.02 1v6f n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v6f n SER 8 N 3.00 1.05 -3.74 1.61 3.41 -1.26 -4.91 113.62 112.79 1v6f n SER 8 Ca 0.00 0.83 -0.21 0.00 -0.26 0.00 0.00 58.87 59.24 1v6f n SER 8 Cb 0.00 -0.93 -0.18 0.00 -0.26 0.00 0.00 64.21 62.85 1v6f n SER 8 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1v6f s GLU 9 N 5.01 0.26 -0.96 4.33 2.02 -1.26 -5.09 118.70 123.02 1v6f s GLU 9 Ca 1.14 0.22 -0.23 0.00 0.02 0.00 0.00 54.97 56.12 1v6f s GLU 9 Cb -1.44 -0.69 0.06 0.00 0.10 0.00 0.00 34.13 32.16 1v6f s GLU 9 CO 0.70 -0.29 1.37 0.45 0.02 0.00 0.00 175.26 177.51 1v6f s SER 10 N 1.90 6.46 0.88 -0.19 0.15 -1.26 -5.00 113.70 116.64 1v6f s SER 10 Ca 0.03 -1.38 -0.10 0.00 0.70 0.00 0.00 55.95 55.20 1v6f s SER 10 Cb -0.12 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.77 1v6f s SER 10 CO -0.04 -1.50 1.14 -0.76 1.20 0.00 0.00 173.24 173.29 1v6f s LEU 11 N 4.76 2.91 -0.40 3.45 1.43 -1.26 -5.01 118.68 124.56 1v6f s LEU 11 Ca 0.42 2.14 0.03 0.00 -1.03 0.00 0.00 54.13 55.69 1v6f s LEU 11 Cb -0.02 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.75 1v6f s LEU 11 CO -0.06 -2.87 0.14 -0.69 0.23 0.00 0.00 176.35 173.11 1v6f s VAL 12 N -2.66 2.07 0.10 -1.59 1.01 -1.25 -5.06 120.40 113.01 1v6f s VAL 12 Ca 0.66 -2.53 -0.02 0.00 0.00 0.00 0.00 61.98 60.09 1v6f s VAL 12 Cb -0.22 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1v6f s VAL 12 CO 0.57 -0.71 0.27 0.54 0.00 0.00 0.00 175.10 175.78 1v6f s VAL 13 N 0.58 5.31 0.19 2.92 0.11 -1.26 -3.97 120.40 124.28 1v6f s VAL 13 Ca 0.13 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1v6f s VAL 13 Cb -0.22 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 1v6f s VAL 13 CO -0.07 0.09 0.11 0.00 -3.33 0.00 0.00 175.10 171.90 1v6f s ASP 15 N -2.25 4.68 -0.26 0.00 1.01 -1.26 -4.92 116.67 113.67 1v6f s ASP 15 Ca 0.16 -1.04 -0.06 0.00 0.71 0.00 0.00 52.55 52.32 1v6f s ASP 15 Cb 0.01 -0.21 -0.01 0.00 1.01 0.00 0.00 42.92 43.72 1v6f s ASP 15 CO 0.11 -0.76 0.04 0.68 0.21 0.00 0.00 175.17 175.45 1v6f s VAL 16 N -2.62 3.89 0.19 -1.27 -7.23 -1.26 -0.85 120.40 111.25 1v6f s VAL 16 Ca 0.40 -0.48 -0.32 0.00 -1.81 0.00 0.00 61.98 59.77 1v6f s VAL 16 Cb -0.00 -2.88 -0.12 0.00 0.56 0.00 0.00 36.38 33.93 1v6f s VAL 16 CO 0.23 0.26 1.70 0.00 -0.31 0.00 0.00 175.10 176.98 1v6f n ALA 17 N 4.86 2.42 -0.25 1.32 0.00 0.52 -4.79 120.51 124.59 1v6f n ALA 17 Ca -0.16 0.41 0.20 0.00 0.00 0.00 0.00 53.44 53.88 1v6f n ALA 17 Cb 0.50 -2.49 0.51 0.00 0.00 0.00 0.00 19.45 17.98 1v6f n ALA 17 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1v6f h GLU 18 N 6.71 0.39 -0.14 0.00 4.11 -1.98 0.38 114.58 124.04 1v6f h GLU 18 Ca -0.44 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.00 1v6f h GLU 18 Cb 1.22 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1v6f h GLU 18 CO 0.94 0.26 0.10 -0.44 0.07 0.00 0.00 179.01 179.94 1v6f h ASP 19 N 0.40 0.03 0.00 3.06 3.32 -1.94 -2.36 116.42 118.93 1v6f h ASP 19 Ca 0.49 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.39 1v6f h ASP 19 Cb 1.23 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1v6f h ASP 19 CO -0.19 0.02 -0.89 0.25 -1.72 0.00 0.00 179.24 176.71 1v6f h LEU 20 N 0.03 0.00 -0.80 1.55 5.85 -0.62 -3.39 115.31 117.93 1v6f h LEU 20 Ca 0.07 -0.49 0.12 0.00 0.84 0.00 0.00 57.88 58.42 1v6f h LEU 20 Cb 0.23 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.12 1v6f h LEU 20 CO -0.00 1.26 -0.39 0.58 -0.34 0.00 0.00 178.44 179.54 1v6f h VAL 21 N -1.00 0.07 -0.99 1.05 2.07 -1.12 0.40 116.25 116.72 1v6f h VAL 21 Ca -0.22 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.66 1v6f h VAL 21 Cb 1.08 0.07 -0.18 0.00 -1.52 0.00 0.00 31.29 30.74 1v6f h VAL 21 CO -0.14 0.00 0.42 1.05 0.02 0.00 0.00 177.57 178.92 1v6f h GLU 22 N -0.09 0.05 0.27 1.57 4.11 -1.62 0.30 114.58 119.17 1v6f h GLU 22 Ca 0.27 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.69 1v6f h GLU 22 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1v6f h GLU 22 CO -0.84 0.03 -0.13 0.87 0.07 0.00 0.00 179.01 179.02 1v6f h LYS 23 N 0.05 -0.35 -0.77 1.06 1.57 -0.40 -2.94 116.57 114.79 1v6f h LYS 23 Ca 0.77 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.70 1v6f h LYS 23 Cb 1.90 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 34.20 1v6f h LYS 23 CO -0.78 -0.05 0.36 -0.07 -0.57 0.00 0.00 179.45 178.35 1v6f h LEU 24 N -0.67 0.41 -0.60 2.94 3.38 -0.17 -0.94 115.31 119.67 1v6f h LEU 24 Ca -0.04 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1v6f h LEU 24 Cb 0.47 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1v6f h LEU 24 CO 0.06 0.19 0.20 0.03 0.09 0.00 0.00 178.44 179.01 1v6f h ARG 25 N 0.55 0.35 -0.53 1.13 3.08 -0.90 -1.63 114.38 116.44 1v6f h ARG 25 Ca 0.41 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.37 1v6f h ARG 25 Cb 0.54 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1v6f h ARG 25 CO -0.34 0.23 0.08 0.87 -1.07 0.00 0.00 179.97 179.74 1v6f h LYS 26 N 0.36 0.89 -0.94 0.04 1.79 -1.03 -3.06 116.57 114.61 1v6f h LYS 26 Ca 0.31 -0.24 0.12 0.00 -2.18 0.00 0.00 60.65 58.65 1v6f h LYS 26 Cb 0.40 -0.10 -0.14 0.00 -1.58 0.00 0.00 32.23 30.81 1v6f h LYS 26 CO -0.33 0.87 -0.48 0.35 -1.08 0.00 0.00 179.45 178.78 1v6f h PHE 27 N 0.77 -1.45 -0.22 -1.35 3.04 -0.28 2.01 116.94 119.46 1v6f h PHE 27 Ca 0.16 0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1v6f h PHE 27 Cb 0.42 0.76 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 1v6f h PHE 27 CO 0.03 -0.39 0.15 0.00 -2.02 0.00 0.00 178.31 176.07 1v6f h ARG 28 N -0.03 0.29 -1.09 1.11 2.47 -1.51 -2.50 114.38 113.11 1v6f h ARG 28 Ca 0.25 -0.02 -0.52 0.00 -1.26 0.00 0.00 59.98 58.43 1v6f h ARG 28 Cb 0.52 -0.07 -0.25 0.00 -1.65 0.00 0.00 29.97 28.52 1v6f h ARG 28 CO -0.93 0.20 0.67 1.19 0.56 0.00 0.00 179.97 181.65 1v6f n PHE 29 N -4.93 2.69 -2.15 3.04 3.72 0.44 -4.97 117.46 115.30 1v6f n PHE 29 Ca -0.03 -2.27 -0.42 0.00 -0.05 0.00 0.00 57.45 54.67 1v6f n PHE 29 Cb 0.03 -1.12 -0.03 0.00 -0.94 0.00 0.00 39.48 37.42 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 -3.06 4.24 -0.29 -1.08 1.70 0.65 -4.89 118.95 116.23 1v6f s ARG 30 Ca 0.52 2.04 -0.01 0.00 -0.47 0.00 0.00 55.73 57.81 1v6f s ARG 30 Cb 0.42 -3.69 0.15 0.00 -0.57 0.00 0.00 34.95 31.26 1v6f s ARG 30 CO 0.03 -0.68 2.18 1.63 -1.08 0.00 0.00 175.30 177.39 1v6f n LYS 31 N 5.94 1.80 -4.22 3.89 4.01 -1.26 -4.88 118.16 123.43 1v6f n LYS 31 Ca 0.15 -1.47 -0.26 0.00 -0.51 0.00 0.00 58.31 56.21 1v6f n LYS 31 Cb 0.43 -1.63 -0.06 0.00 -0.51 0.00 0.00 35.03 33.26 1v6f n LYS 31 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1v6f n GLU 32 N 0.64 0.89 0.00 1.97 -0.58 -1.26 -5.08 120.64 117.21 1v6f n GLU 32 Ca 0.30 -3.10 0.00 0.00 -0.42 0.00 0.00 57.16 53.94 1v6f n GLU 32 Cb 0.58 1.00 0.00 0.00 -0.57 0.00 0.00 31.44 32.45 1v6f n GLU 32 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1v6f n THR 33 N -1.01 0.00 -0.62 2.62 -1.04 -1.26 -5.07 114.28 107.89 1v6f n THR 33 Ca -0.15 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.58 1v6f n THR 33 Cb 0.54 -0.49 0.24 0.00 -1.82 0.00 0.00 70.33 68.81 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 -1.90 1.44 1.10 -1.42 -3.43 -1.26 -5.02 115.29 104.80 1v6f s HIS 34 Ca 0.00 1.16 -0.18 0.00 -0.80 0.00 0.00 55.06 55.24 1v6f s HIS 34 Cb 0.00 -3.12 0.25 0.00 -1.43 0.00 0.00 32.58 28.28 1v6f s HIS 34 CO 0.00 -3.76 1.19 -0.80 -2.00 0.00 0.00 174.74 169.37 1v6f s ASN 35 N -2.64 1.81 -0.04 7.38 -0.87 -1.26 -4.70 114.94 114.63 1v6f s ASN 35 Ca 0.68 0.50 -0.29 0.00 -1.57 0.00 0.00 52.86 52.18 1v6f s ASN 35 Cb -0.24 -0.67 0.10 0.00 -0.02 0.00 0.00 41.25 40.41 1v6f s ASN 35 CO 0.64 -3.56 0.82 0.00 -2.57 0.00 0.00 177.10 172.43 1v6f s ALA 36 N -3.35 -1.81 -0.23 0.60 0.00 -1.26 0.38 121.76 116.09 1v6f s ALA 36 Ca 0.72 1.19 -0.04 0.00 0.00 0.00 0.00 51.96 53.83 1v6f s ALA 36 Cb -0.08 0.03 0.12 0.00 0.00 0.00 0.00 23.12 23.20 1v6f s ALA 36 CO 0.55 -0.50 0.42 0.00 0.00 0.00 0.00 175.76 176.23 1v6f s ALA 37 N -2.07 -1.24 -0.26 0.00 0.00 -0.12 -3.35 121.76 114.72 1v6f s ALA 37 Ca -0.02 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 1v6f s ALA 37 Cb -0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1v6f s ALA 37 CO -0.01 -1.07 0.13 0.42 0.00 0.00 0.00 175.76 175.22 1v6f s ILE 38 N 2.61 4.77 -0.03 0.00 1.01 -1.00 0.67 121.20 129.22 1v6f s ILE 38 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1v6f s ILE 38 Cb -0.14 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1v6f s ILE 38 CO -0.15 0.30 0.21 -0.63 0.00 0.00 0.00 174.94 174.66 1v6f s ILE 39 N 1.68 5.39 0.12 2.92 1.01 -1.01 -0.80 121.20 130.52 1v6f s ILE 39 Ca 0.07 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.83 1v6f s ILE 39 Cb -0.16 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1v6f s ILE 39 CO 0.07 0.43 -0.04 -0.04 0.00 0.00 0.00 174.94 175.36 1v6f s MET 40 N -1.60 0.93 0.31 2.79 -1.94 -0.04 -1.66 119.30 118.09 1v6f s MET 40 Ca 0.24 -1.41 -0.16 0.00 -1.71 0.00 0.00 55.69 52.65 1v6f s MET 40 Cb -0.13 -0.22 0.02 0.00 2.01 0.00 0.00 34.83 36.52 1v6f s MET 40 CO 0.14 -0.06 0.67 -1.59 -0.01 0.00 0.00 175.02 174.16 1v6f s LYS 41 N -3.87 1.87 -0.09 2.03 0.00 -1.16 -2.43 119.74 116.09 1v6f s LYS 41 Ca 0.16 -1.23 0.03 0.00 0.00 0.00 0.00 55.97 54.93 1v6f s LYS 41 Cb 0.06 0.57 -0.01 0.00 0.00 0.00 0.00 37.83 38.44 1v6f s LYS 41 CO -0.02 -0.84 -0.19 0.42 0.00 0.00 0.00 175.35 174.72 1v6f s ILE 42 N -3.43 2.57 0.82 3.79 1.01 -1.26 -1.94 121.20 122.76 1v6f s ILE 42 Ca 0.16 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1v6f s ILE 42 Cb -0.04 -2.01 0.21 0.00 0.01 0.00 0.00 42.46 40.63 1v6f s ILE 42 CO 0.10 0.56 0.47 -0.67 0.00 0.00 0.00 174.94 175.40 1v6f n ASP 43 N 3.11 -3.19 -0.09 3.58 2.03 -1.23 -4.95 116.55 115.82 1v6f n ASP 43 Ca -0.18 -0.48 -0.09 0.00 0.52 0.00 0.00 54.79 54.56 1v6f n ASP 43 Cb 0.52 -0.55 -0.14 0.00 -0.72 0.00 0.00 41.12 40.23 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 -3.99 0.97 0.02 -0.67 2.85 -1.26 -4.54 118.16 111.54 1v6f n LYS 44 Ca 0.08 -0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.33 1v6f n LYS 44 Cb 0.33 -1.47 -0.00 0.00 -0.65 0.00 0.00 35.03 33.23 1v6f n LYS 44 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1v6f n ASP 45 N -2.70 0.46 -0.38 -5.58 2.03 -1.26 -4.72 116.55 104.39 1v6f n ASP 45 Ca -0.30 0.06 0.31 0.00 0.52 0.00 0.00 54.79 55.37 1v6f n ASP 45 Cb 1.10 -0.14 0.59 0.00 -0.72 0.00 0.00 41.12 41.95 1v6f n ASP 45 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1v6f h GLU 46 N -0.00 0.21 -5.66 -0.67 5.08 -1.99 -3.45 114.58 108.10 1v6f h GLU 46 Ca -0.00 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.03 1v6f h GLU 46 Cb 0.59 -0.05 0.16 0.00 0.50 0.00 0.00 28.75 29.95 1v6f h GLU 46 CO -0.00 0.14 -0.83 0.54 -1.00 0.00 0.00 179.01 177.86 1v6f n ARG 47 N -4.62 -4.13 -3.72 2.33 5.12 -1.26 -5.01 116.66 105.36 1v6f n ARG 47 Ca 0.31 0.80 -0.12 0.00 -1.93 0.00 0.00 57.85 56.92 1v6f n ARG 47 Cb 1.18 -5.64 -0.11 0.00 -1.16 0.00 0.00 32.46 26.73 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 -5.99 0.21 -0.07 0.55 1.98 -1.26 -4.32 118.68 109.78 1v6f s LEU 48 Ca 0.23 0.80 -0.30 0.00 -2.89 0.00 0.00 54.13 51.97 1v6f s LEU 48 Cb -0.04 1.25 -0.04 0.00 0.66 0.00 0.00 46.19 48.02 1v6f s LEU 48 CO 0.75 -0.17 1.40 -0.69 -1.89 0.00 0.00 176.35 175.75 1v6f s VAL 49 N 0.94 3.91 0.32 1.68 1.01 -0.03 -3.47 120.40 124.76 1v6f s VAL 49 Ca -0.06 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.18 1v6f s VAL 49 Cb -0.07 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1v6f s VAL 49 CO -0.07 -0.06 -0.03 0.68 0.00 0.00 0.00 175.10 175.62 1v6f s VAL 50 N 3.09 1.70 -0.07 2.92 -7.23 -0.82 -0.35 120.40 119.65 1v6f s VAL 50 Ca 0.62 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1v6f s VAL 50 Cb -0.28 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1v6f s VAL 50 CO 0.23 -0.18 1.29 -0.22 -0.31 0.00 0.00 175.10 175.90 1v6f s LEU 51 N -3.52 4.27 -0.15 1.32 1.98 -1.26 -2.97 118.68 118.34 1v6f s LEU 51 Ca 0.32 1.88 -0.15 0.00 -2.89 0.00 0.00 54.13 53.29 1v6f s LEU 51 Cb 0.05 -3.55 -0.23 0.00 0.66 0.00 0.00 46.19 43.12 1v6f s LEU 51 CO 0.14 -0.68 0.34 -0.78 -1.89 0.00 0.00 176.35 173.49 1v6f h ASP 52 N 7.82 0.23 -5.60 3.68 3.58 -1.66 -3.48 116.42 121.00 1v6f h ASP 52 Ca -0.33 -0.75 0.27 0.00 0.42 0.00 0.00 57.03 56.63 1v6f h ASP 52 Cb 1.15 -0.08 -0.10 0.00 1.72 0.00 0.00 39.33 42.02 1v6f h ASP 52 CO 0.91 1.66 0.69 -1.83 -2.88 0.00 0.00 179.24 177.79 1v6f s GLU 53 N -2.46 0.73 -0.07 0.28 -1.05 -1.22 -5.02 118.70 109.89 1v6f s GLU 53 Ca -0.25 -0.40 0.01 0.00 -0.15 0.00 0.00 54.97 54.18 1v6f s GLU 53 Cb 0.06 0.25 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1v6f s GLU 53 CO 0.69 -0.33 -0.09 -1.21 0.95 0.00 0.00 175.26 175.27 1v6f s GLU 54 N -2.75 1.47 -0.15 -4.83 2.02 -1.26 -2.40 118.70 110.79 1v6f s GLU 54 Ca 0.14 -0.30 -0.07 0.00 0.02 0.00 0.00 54.97 54.76 1v6f s GLU 54 Cb 0.02 -1.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 1v6f s GLU 54 CO -0.01 -0.07 0.08 -0.51 0.02 0.00 0.00 175.26 174.76 1v6f s LEU 55 N 0.99 3.94 0.02 1.80 2.01 0.21 -4.95 118.68 122.71 1v6f s LEU 55 Ca -0.09 0.19 0.08 0.00 0.01 0.00 0.00 54.13 54.33 1v6f s LEU 55 Cb -0.15 -1.97 -0.03 0.00 0.01 0.00 0.00 46.19 44.05 1v6f s LEU 55 CO 0.00 0.26 -0.25 -1.61 1.01 0.00 0.00 176.35 175.76 1v6f s GLU 56 N -0.15 1.94 -1.09 1.70 2.02 -1.26 -0.94 118.70 120.92 1v6f s GLU 56 Ca 0.08 -1.03 -0.07 0.00 0.02 0.00 0.00 54.97 53.96 1v6f s GLU 56 Cb -0.12 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.09 1v6f s GLU 56 CO 0.01 0.53 0.14 0.41 0.02 0.00 0.00 175.26 176.37 1v6f n GLY 57 N 1.93 -0.24 3.93 -1.39 0.00 0.16 -4.86 105.19 104.73 1v6f n GLY 57 Ca -0.17 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.00 2.03 0.30 1.61 -7.23 -1.26 -4.78 120.40 107.07 1v6f s VAL 58 Ca 0.10 -1.32 0.10 0.00 -1.81 0.00 0.00 61.98 59.05 1v6f s VAL 58 Cb -0.06 -2.35 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 1v6f s VAL 58 CO 0.74 0.00 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.97 1v6f s SER 59 N -4.35 3.40 0.14 4.85 0.01 -1.26 -4.65 113.70 111.84 1v6f s SER 59 Ca 0.45 -1.13 0.19 0.00 1.31 0.00 0.00 55.95 56.77 1v6f s SER 59 Cb -0.03 -0.28 0.81 0.00 0.21 0.00 0.00 66.02 66.72 1v6f s SER 59 CO 0.28 -0.15 1.59 -0.81 0.41 0.00 0.00 173.24 174.56 1v6f n PRO 60 N -0.66 0.10 -0.02 12.44 -0.04 -1.26 -0.24 135.00 145.32 1v6f n PRO 60 Ca -0.05 0.35 -0.02 0.00 -0.04 0.00 0.00 63.50 63.73 1v6f n PRO 60 Cb 0.62 -1.70 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 1v6f n PRO 60 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1v6f n ASP 61 N -1.90 0.46 -0.05 3.54 -0.08 -1.26 -4.00 116.55 113.27 1v6f n ASP 61 Ca 0.03 0.21 -0.04 0.00 -1.51 0.00 0.00 54.79 53.47 1v6f n ASP 61 Cb 0.20 0.69 -0.14 0.00 2.34 0.00 0.00 41.12 44.21 1v6f n ASP 61 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1v6f n GLU 62 N -2.76 0.66 -0.02 -0.67 1.02 -1.01 -4.35 120.64 113.50 1v6f n GLU 62 Ca -0.16 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 1v6f n GLU 62 Cb 0.91 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 30.65 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 0.15 -2.06 -4.62 5.85 -0.80 -2.45 115.31 111.39 1v6f h LEU 63 Ca -0.34 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.23 1v6f h LEU 63 Cb 1.86 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 1v6f h LEU 63 CO 0.03 0.33 0.36 0.07 -0.34 0.00 0.00 178.44 178.90 1v6f h LYS 64 N -0.04 0.00 0.00 1.25 2.10 -1.77 0.37 116.57 118.49 1v6f h LYS 64 Ca 0.03 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.58 1v6f h LYS 64 Cb 0.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 1v6f h LYS 64 CO -0.00 0.00 -0.47 0.22 -2.00 0.00 0.00 179.45 177.20 1v6f h ASP 65 N 0.00 0.00 -0.32 7.07 1.82 -1.63 -2.61 116.42 120.75 1v6f h ASP 65 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1v6f h ASP 65 Cb 0.84 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1v6f h ASP 65 CO -0.00 0.47 0.00 -0.62 -1.61 0.00 0.00 179.24 177.48 1v6f n GLU 66 N -3.76 2.15 -4.40 0.28 -0.58 0.13 -4.86 120.64 109.59 1v6f n GLU 66 Ca -0.01 -1.32 -0.28 0.00 -0.42 0.00 0.00 57.16 55.12 1v6f n GLU 66 Cb 0.52 -1.47 -0.13 0.00 -0.57 0.00 0.00 31.44 29.80 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 -1.10 2.35 0.26 -4.62 1.43 -0.98 -5.12 118.68 110.90 1v6f s LEU 67 Ca 0.24 -0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 52.26 1v6f s LEU 67 Cb 0.15 -1.20 -0.09 0.00 0.03 0.00 0.00 46.19 45.08 1v6f s LEU 67 CO 0.13 0.16 1.26 -2.16 0.23 0.00 0.00 176.35 175.97 1v6f s PRO 68 N -2.24 4.43 -0.13 1.29 0.04 -1.26 -4.94 135.00 132.19 1v6f s PRO 68 Ca 0.16 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.41 1v6f s PRO 68 Cb -0.09 -3.16 0.61 0.00 0.04 0.00 0.00 34.50 31.90 1v6f s PRO 68 CO 0.07 -0.14 1.52 -0.85 0.04 0.00 0.00 177.00 177.64 1v6f n GLU 69 N 1.77 3.51 0.00 4.56 0.28 -1.26 -4.39 120.64 125.12 1v6f n GLU 69 Ca 0.03 -2.77 0.00 0.00 -0.16 0.00 0.00 57.16 54.26 1v6f n GLU 69 Cb 0.43 -1.82 0.00 0.00 1.43 0.00 0.00 31.44 31.48 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 0.47 2.32 -4.28 3.44 5.12 -1.26 -4.73 116.66 117.74 1v6f n ARG 70 Ca 0.22 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.92 1v6f n ARG 70 Cb 0.85 -0.79 -0.12 0.00 -1.16 0.00 0.00 32.46 31.24 1v6f n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1v6f s GLN 71 N -1.55 1.10 0.25 5.56 -0.21 -1.26 -3.11 119.66 120.44 1v6f s GLN 71 Ca 0.00 -1.19 -0.30 0.00 0.02 0.00 0.00 55.36 53.90 1v6f s GLN 71 Cb 0.00 -1.26 -0.09 0.00 1.00 0.00 0.00 33.01 32.65 1v6f s GLN 71 CO 0.00 0.28 1.27 -1.25 -2.12 0.00 0.00 175.29 173.47 1v6f s PRO 72 N -2.11 4.42 0.05 2.91 0.04 -1.26 -4.44 135.00 134.61 1v6f s PRO 72 Ca 0.07 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 1v6f s PRO 72 Cb -0.09 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1v6f s PRO 72 CO 0.04 -0.15 -0.04 0.50 0.04 0.00 0.00 177.00 177.39 1v6f s ARG 73 N -0.77 0.59 -0.13 4.56 6.06 0.38 -4.99 118.95 124.65 1v6f s ARG 73 Ca 0.52 -1.11 -0.10 0.00 -2.50 0.00 0.00 55.73 52.55 1v6f s ARG 73 Cb -0.36 0.11 -0.05 0.00 0.06 0.00 0.00 34.95 34.71 1v6f s ARG 73 CO 0.42 -0.08 0.19 -0.06 -2.50 0.00 0.00 175.30 173.28 1v6f s PHE 74 N -3.35 3.56 -0.14 5.12 0.08 -1.02 -2.20 117.98 120.04 1v6f s PHE 74 Ca 0.03 0.56 -0.08 0.00 0.12 0.00 0.00 56.93 57.56 1v6f s PHE 74 Cb 0.04 -2.08 0.05 0.00 -0.57 0.00 0.00 43.02 40.45 1v6f s PHE 74 CO -0.07 0.57 0.33 0.42 -0.10 0.00 0.00 175.22 176.36 1v6f s ILE 75 N -0.55 -0.03 -0.41 0.64 1.09 -1.19 -0.86 121.20 119.89 1v6f s ILE 75 Ca 0.15 0.10 -0.03 0.00 -1.10 0.00 0.00 60.65 59.76 1v6f s ILE 75 Cb -0.13 -0.49 0.11 0.00 -1.06 0.00 0.00 42.46 40.89 1v6f s ILE 75 CO 0.04 0.04 0.21 -0.69 -0.10 0.00 0.00 174.94 174.44 1v6f s VAL 76 N 1.11 3.37 0.17 2.92 1.01 0.02 -1.49 120.40 127.52 1v6f s VAL 76 Ca -0.08 -2.02 0.04 0.00 0.00 0.00 0.00 61.98 59.92 1v6f s VAL 76 Cb -0.08 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1v6f s VAL 76 CO -0.09 -0.69 0.24 -0.47 0.00 0.00 0.00 175.10 174.09 1v6f s TYR 77 N 1.16 3.35 -0.37 5.22 5.04 -1.18 -2.38 117.35 128.18 1v6f s TYR 77 Ca 0.08 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.76 1v6f s TYR 77 Cb -0.23 -1.59 0.12 0.00 0.35 0.00 0.00 41.96 40.61 1v6f s TYR 77 CO -0.04 0.51 0.17 0.45 -1.34 0.00 0.00 175.55 175.30 1v6f s SER 78 N -3.32 3.81 1.01 4.32 0.15 -1.21 -2.52 113.70 115.93 1v6f s SER 78 Ca 0.33 -2.13 -0.12 0.00 0.70 0.00 0.00 55.95 54.73 1v6f s SER 78 Cb -0.10 -0.93 0.19 0.00 -1.71 0.00 0.00 66.02 63.48 1v6f s SER 78 CO 0.27 -0.34 1.09 -0.47 1.20 0.00 0.00 173.24 174.98 1v6f s TYR 79 N 1.00 2.06 -0.33 3.44 5.04 -1.25 -4.64 117.35 122.67 1v6f s TYR 79 Ca 0.14 1.01 -0.03 0.00 -2.44 0.00 0.00 57.07 55.75 1v6f s TYR 79 Cb -0.21 -3.25 0.06 0.00 0.35 0.00 0.00 41.96 38.91 1v6f s TYR 79 CO -0.11 -2.95 0.06 0.21 -1.34 0.00 0.00 175.55 171.41 1v6f s LYS 80 N -4.93 2.36 -0.61 4.97 2.20 -1.26 -3.26 119.74 119.20 1v6f s LYS 80 Ca 0.65 -1.37 -0.19 0.00 -0.36 0.00 0.00 55.97 54.71 1v6f s LYS 80 Cb -0.19 -3.30 0.11 0.00 -1.51 0.00 0.00 37.83 32.94 1v6f s LYS 80 CO 0.58 -0.72 0.72 -0.47 -0.36 0.00 0.00 175.35 175.10 1v6f s TYR 81 N 1.25 3.03 0.07 4.03 6.14 -0.20 -4.97 117.35 126.69 1v6f s TYR 81 Ca -0.02 -1.02 -0.26 0.00 0.64 0.00 0.00 57.07 56.40 1v6f s TYR 81 Cb -0.20 -4.01 -0.06 0.00 0.42 0.00 0.00 41.96 38.11 1v6f s TYR 81 CO -0.01 -1.29 0.83 -1.14 0.64 0.00 0.00 175.55 174.58 1v6f s GLN 82 N 2.57 4.56 -0.19 4.97 -0.44 -1.26 -2.32 119.66 127.54 1v6f s GLN 82 Ca 0.12 1.18 -0.09 0.00 -2.50 0.00 0.00 55.36 54.08 1v6f s GLN 82 Cb -0.23 -3.37 -0.05 0.00 -1.64 0.00 0.00 33.01 27.73 1v6f s GLN 82 CO 0.05 0.26 0.10 -1.01 0.50 0.00 0.00 175.29 175.20 1v6f s HIS 83 N -0.05 3.33 0.28 1.67 3.76 0.69 -4.98 115.29 119.99 1v6f s HIS 83 Ca 0.41 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 1v6f s HIS 83 Cb -0.21 -2.13 0.67 0.00 1.11 0.00 0.00 32.58 32.01 1v6f s HIS 83 CO 0.25 0.22 1.45 -0.25 -0.85 0.00 0.00 174.74 175.56 1v6f n ASP 84 N 3.57 -0.14 -0.30 1.40 8.00 -1.26 0.13 116.55 127.95 1v6f n ASP 84 Ca -0.16 1.57 0.14 0.00 0.71 0.00 0.00 54.79 57.05 1v6f n ASP 84 Cb 0.52 -0.56 0.30 0.00 -0.02 0.00 0.00 41.12 41.37 1v6f n ASP 84 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1v6f h ASP 85 N 0.00 0.15 0.00 -2.24 1.82 -2.04 -3.45 116.42 110.66 1v6f h ASP 85 Ca 0.54 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 57.36 1v6f h ASP 85 Cb 1.09 0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1v6f h ASP 85 CO -0.88 -0.10 0.00 0.61 -1.61 0.00 0.00 179.24 177.26 1v6f n GLY 86 N -1.36 2.87 3.77 -0.78 0.00 0.35 -5.13 105.19 104.91 1v6f n GLY 86 Ca 0.22 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 3.69 -0.06 1.61 3.52 -1.25 -4.67 118.95 121.79 1v6f s ARG 87 Ca 0.00 1.76 -0.03 0.00 -0.13 0.00 0.00 55.73 57.32 1v6f s ARG 87 Cb 0.00 -2.34 0.03 0.00 -1.56 0.00 0.00 34.95 31.07 1v6f s ARG 87 CO 0.00 -0.61 0.14 0.54 -0.81 0.00 0.00 175.30 174.56 1v6f s VAL 88 N -1.57 -0.03 0.09 7.11 0.11 -1.26 -0.23 120.40 124.62 1v6f s VAL 88 Ca 0.65 0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.88 1v6f s VAL 88 Cb -0.28 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1v6f s VAL 88 CO 0.34 0.05 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.55 1v6f s SER 89 N 0.75 2.05 -0.63 3.54 0.01 -0.98 -4.96 113.70 113.48 1v6f s SER 89 Ca -0.06 -0.67 -0.12 0.00 1.31 0.00 0.00 55.95 56.42 1v6f s SER 89 Cb -0.07 -0.09 0.16 0.00 0.21 0.00 0.00 66.02 66.23 1v6f s SER 89 CO -0.04 -0.03 0.54 -0.31 0.41 0.00 0.00 173.24 173.82 1v6f s TYR 90 N -1.34 3.50 -0.07 2.43 2.02 -1.26 -1.04 117.35 121.59 1v6f s TYR 90 Ca 0.03 -1.88 -0.30 0.00 -0.37 0.00 0.00 57.07 54.55 1v6f s TYR 90 Cb -0.09 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 37.77 1v6f s TYR 90 CO 0.03 -0.98 1.51 -1.25 -1.57 0.00 0.00 175.55 173.29 1v6f s PRO 91 N 0.81 4.21 -0.14 -1.71 0.04 -1.20 -4.83 135.00 132.17 1v6f s PRO 91 Ca 0.11 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1v6f s PRO 91 Cb -0.21 -3.85 -0.01 0.00 0.04 0.00 0.00 34.50 30.47 1v6f s PRO 91 CO -0.03 -0.76 1.13 -0.51 0.04 0.00 0.00 177.00 176.87 1v6f s LEU 92 N 3.60 4.20 0.15 -3.56 2.01 -1.26 -3.76 118.68 120.06 1v6f s LEU 92 Ca 0.67 1.61 0.06 0.00 0.01 0.00 0.00 54.13 56.47 1v6f s LEU 92 Cb -0.30 -3.55 -0.04 0.00 0.01 0.00 0.00 46.19 42.31 1v6f s LEU 92 CO 0.25 -0.62 -0.13 0.00 1.01 0.00 0.00 176.35 176.85 1v6f s PHE 94 N -2.67 3.24 -0.55 0.00 2.19 0.01 -3.12 117.98 117.07 1v6f s PHE 94 Ca 0.15 -0.83 -0.17 0.00 0.33 0.00 0.00 56.93 56.40 1v6f s PHE 94 Cb -0.02 -2.48 0.11 0.00 -1.31 0.00 0.00 43.02 39.32 1v6f s PHE 94 CO 0.03 -0.62 0.58 0.42 1.83 0.00 0.00 175.22 177.47 1v6f s ILE 95 N 1.59 5.03 -0.90 3.12 1.01 -0.55 -0.26 121.20 130.23 1v6f s ILE 95 Ca 0.03 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.26 1v6f s ILE 95 Cb -0.19 -4.38 0.06 0.00 0.01 0.00 0.00 42.46 37.96 1v6f s ILE 95 CO 0.08 -0.95 1.32 0.12 0.00 0.00 0.00 174.94 175.51 1v6f s PHE 96 N 2.12 2.55 -0.69 3.97 5.36 0.87 -3.18 117.98 128.98 1v6f s PHE 96 Ca 0.07 -0.67 -0.26 0.00 -0.96 0.00 0.00 56.93 55.11 1v6f s PHE 96 Cb -0.26 -4.59 -0.01 0.00 -0.34 0.00 0.00 43.02 37.82 1v6f s PHE 96 CO 0.05 -1.90 1.69 -1.54 -1.46 0.00 0.00 175.22 172.06 1v6f s SER 97 N 4.35 5.56 -0.33 6.13 1.04 -0.93 -2.57 113.70 126.95 1v6f s SER 97 Ca 0.39 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.81 1v6f s SER 97 Cb -0.04 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.63 1v6f s SER 97 CO -0.01 -2.22 0.04 -0.94 0.98 0.00 0.00 173.24 171.08 1v6f s SER 98 N 6.73 4.75 -0.21 7.02 1.04 -0.97 -0.47 113.70 131.60 1v6f s SER 98 Ca 0.57 -2.08 -0.29 0.00 0.48 0.00 0.00 55.95 54.63 1v6f s SER 98 Cb -0.10 -1.63 -0.03 0.00 0.10 0.00 0.00 66.02 64.36 1v6f s SER 98 CO 0.16 -0.37 1.60 -2.16 0.98 0.00 0.00 173.24 173.46 1v6f s PRO 99 N 0.93 3.84 0.61 4.02 0.04 -1.23 -4.11 135.00 139.09 1v6f s PRO 99 Ca 0.09 1.70 0.27 0.00 0.04 0.00 0.00 61.00 63.10 1v6f s PRO 99 Cb -0.19 -4.02 1.07 0.00 0.04 0.00 0.00 34.50 31.40 1v6f s PRO 99 CO -0.08 -1.24 1.47 0.28 0.04 0.00 0.00 177.00 177.48 1v6f h VAL 100 N 6.08 0.10 0.00 -0.36 2.07 -1.42 0.78 116.25 123.49 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 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 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 -1.65 1.55 3.91 2.17 0.00 -1.26 -4.83 105.19 105.09 1v6f n GLY 101 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.98 3.66 0.02 0.00 -2.85 -1.26 -5.00 119.74 110.32 1v6f s LYS 103 Ca 0.37 0.25 -0.22 0.00 -1.00 0.00 0.00 55.97 55.37 1v6f s LYS 103 Cb -0.08 -2.45 -0.17 0.00 -2.06 0.00 0.00 37.83 33.07 1v6f s LYS 103 CO 0.28 -0.03 1.31 -1.00 0.10 0.00 0.00 175.35 176.01 1v6f h PRO 104 N 1.00 0.22 -1.11 1.78 0.13 -1.99 -2.40 132.00 129.63 1v6f h PRO 104 Ca -0.47 -0.12 0.32 0.00 -0.87 0.00 0.00 66.00 64.86 1v6f h PRO 104 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1v6f h PRO 104 CO 0.63 0.65 1.01 1.49 -0.23 0.00 0.00 178.00 181.55 1v6f h GLU 105 N -0.20 0.00 0.02 0.86 4.81 -2.01 0.82 114.58 118.87 1v6f h GLU 105 Ca 0.01 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.95 1v6f h GLU 105 Cb 0.61 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1v6f h GLU 105 CO 0.02 0.00 -1.63 1.04 -0.73 0.00 0.00 179.01 177.71 1v6f n GLN 106 N -3.69 0.60 -0.47 1.92 1.13 -1.17 -4.00 117.38 111.71 1v6f n GLN 106 Ca 0.24 0.46 0.38 0.00 -1.94 0.00 0.00 57.00 56.15 1v6f n GLN 106 Cb 1.36 -1.69 0.68 0.00 0.11 0.00 0.00 30.24 30.70 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 -0.80 0.09 -0.16 -1.09 1.08 -0.33 1.23 115.11 115.12 1v6f h GLN 107 Ca -0.43 -0.01 -0.20 0.00 -1.45 0.00 0.00 58.65 56.57 1v6f h GLN 107 Cb 1.49 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1v6f h GLN 107 CO -0.20 0.06 -0.70 0.52 -0.95 0.00 0.00 178.83 177.56 1v6f h MET 108 N 0.09 0.68 -0.74 1.46 2.86 -1.57 0.79 114.93 118.50 1v6f h MET 108 Ca 0.80 -0.52 -0.03 0.00 -2.06 0.00 0.00 59.70 57.89 1v6f h MET 108 Cb 2.66 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 34.38 1v6f h MET 108 CO -0.30 1.14 0.34 1.98 1.06 0.00 0.00 176.91 181.13 1v6f h MET 109 N 0.48 1.06 0.02 1.72 1.85 0.14 -2.35 114.93 117.85 1v6f h MET 109 Ca -0.03 -0.16 -0.31 0.00 -0.61 0.00 0.00 59.70 58.60 1v6f h MET 109 Cb 1.30 -0.19 -0.05 0.00 0.43 0.00 0.00 31.60 33.09 1v6f h MET 109 CO 0.14 0.83 -1.80 0.66 -0.40 0.00 0.00 176.91 176.34 1v6f n TYR 110 N -4.32 0.95 0.04 1.39 4.02 -0.73 -3.58 117.16 114.94 1v6f n TYR 110 Ca 0.07 0.32 -0.02 0.00 -0.01 0.00 0.00 57.90 58.26 1v6f n TYR 110 Cb 0.15 -1.17 -0.01 0.00 -0.02 0.00 0.00 39.34 38.29 1v6f n TYR 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1v6f h ALA 111 N 0.87 -0.95 -0.80 -0.72 0.00 0.75 0.44 119.26 118.84 1v6f h ALA 111 Ca -0.32 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.65 1v6f h ALA 111 Cb 2.03 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.88 1v6f h ALA 111 CO 0.08 -0.95 0.46 0.78 0.00 0.00 0.00 179.25 179.62 1v6f h GLY 112 N -0.11 1.23 1.03 0.00 0.00 -1.64 -1.87 103.07 101.70 1v6f h GLY 112 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1v6f h GLY 112 CO 0.01 0.15 0.35 1.76 0.00 0.00 0.00 176.54 178.81 1v6f h SER 113 N 0.80 1.04 -0.31 0.19 0.02 -1.60 -3.09 113.55 110.59 1v6f h SER 113 Ca 0.38 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 1v6f h SER 113 Cb 0.31 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.50 1v6f h SER 113 CO -0.23 0.90 -0.45 0.50 -1.14 0.00 0.00 176.83 176.41 1v6f h LYS 114 N 1.10 -0.39 -0.45 3.45 3.64 0.75 -2.45 116.57 122.23 1v6f h LYS 114 Ca 0.26 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 1v6f h LYS 114 Cb 0.15 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1v6f h LYS 114 CO -0.03 -0.26 -0.26 -1.71 -2.27 0.00 0.00 179.45 174.92 1v6f n ASN 115 N -5.42 -0.47 -0.25 4.20 2.85 -1.17 0.81 115.26 115.82 1v6f n ASN 115 Ca -0.02 1.05 0.00 0.00 -0.11 0.00 0.00 54.58 55.50 1v6f n ASN 115 Cb 0.36 -0.23 0.07 0.00 1.24 0.00 0.00 39.78 41.22 1v6f n ASN 115 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1v6f h LYS 116 N 0.00 -0.03 -0.13 1.20 3.64 -1.57 -0.95 116.57 118.74 1v6f h LYS 116 Ca 0.07 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1v6f h LYS 116 Cb 0.18 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1v6f h LYS 116 CO -0.42 -0.02 -0.39 -0.07 -2.27 0.00 0.00 179.45 176.28 1v6f h LEU 117 N -0.03 -1.23 -1.32 5.20 3.38 0.58 0.33 115.31 122.23 1v6f h LEU 117 Ca 0.33 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.54 1v6f h LEU 117 Cb 0.54 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1v6f h LEU 117 CO -0.74 -0.41 0.67 0.58 0.09 0.00 0.00 178.44 178.62 1v6f h VAL 118 N -0.46 0.07 0.04 1.22 2.07 -0.14 0.64 116.25 119.68 1v6f h VAL 118 Ca 0.08 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.26 1v6f h VAL 118 Cb 0.61 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1v6f h VAL 118 CO -0.39 0.00 -2.07 0.00 0.02 0.00 0.00 177.57 175.13 1v6f n GLN 119 N -3.00 0.68 -0.11 1.57 1.13 0.91 -0.95 117.38 117.62 1v6f n GLN 119 Ca 0.04 0.20 -0.11 0.00 -1.94 0.00 0.00 57.00 55.19 1v6f n GLN 119 Cb 0.76 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 29.42 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 1.27 -0.00 5.09 2.02 0.26 -2.71 112.91 118.86 1v6f h THR 120 Ca -0.43 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1v6f h THR 120 Cb 2.05 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1v6f h THR 120 CO 0.04 0.35 -0.05 0.00 0.37 0.00 0.00 175.52 176.23 1v6f n ALA 121 N -2.41 2.62 -3.33 6.16 0.00 -0.17 -4.78 120.51 118.61 1v6f n ALA 121 Ca -0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 1v6f n ALA 121 Cb 0.31 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.12 -6.16 -3.99 0.00 1.02 -1.02 -4.85 120.64 104.51 1v6f n GLU 122 Ca 0.15 0.78 -0.35 0.00 -0.02 0.00 0.00 57.16 57.72 1v6f n GLU 122 Cb 0.25 -5.61 -0.09 0.00 -0.02 0.00 0.00 31.44 25.97 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 -6.05 3.95 -0.21 -4.62 1.43 -0.12 -5.00 118.68 108.05 1v6f s LEU 123 Ca 0.02 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 1v6f s LEU 123 Cb -0.01 -1.98 -0.19 0.00 0.03 0.00 0.00 46.19 44.04 1v6f s LEU 123 CO 0.67 0.24 0.05 0.35 0.23 0.00 0.00 176.35 177.90 1v6f n THR 124 N 3.09 1.60 -2.93 5.49 -2.24 -1.26 -4.70 114.28 113.33 1v6f n THR 124 Ca -0.17 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 1v6f n THR 124 Cb 0.53 -1.81 -0.04 0.00 -2.10 0.00 0.00 70.33 66.90 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 -2.48 4.31 -0.19 -0.78 3.01 -1.26 -5.03 119.74 117.32 1v6f s LYS 125 Ca -0.30 0.96 -0.00 0.00 -1.01 0.00 0.00 55.97 55.62 1v6f s LYS 125 Cb 0.09 -3.56 0.05 0.00 -1.01 0.00 0.00 37.83 33.40 1v6f s LYS 125 CO 0.62 -0.26 -0.05 0.08 0.51 0.00 0.00 175.35 176.25 1v6f s VAL 126 N 1.93 1.22 0.06 3.17 1.01 -1.26 -0.81 120.40 125.72 1v6f s VAL 126 Ca 0.37 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1v6f s VAL 126 Cb -0.17 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1v6f s VAL 126 CO 0.13 0.03 -0.19 -0.36 0.00 0.00 0.00 175.10 174.71 1v6f s PHE 127 N 1.56 2.52 -0.07 5.22 0.08 0.63 -4.95 117.98 122.97 1v6f s PHE 127 Ca -0.02 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 56.79 1v6f s PHE 127 Cb -0.17 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1v6f s PHE 127 CO -0.07 0.27 -0.16 -2.00 -0.10 0.00 0.00 175.22 173.15 1v6f s GLU 128 N -1.58 2.05 -0.11 0.44 2.12 -1.26 -0.09 118.70 120.27 1v6f s GLU 128 Ca 0.15 -0.57 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 1v6f s GLU 128 Cb -0.10 -1.66 -0.04 0.00 0.26 0.00 0.00 34.13 32.59 1v6f s GLU 128 CO 0.06 0.11 0.05 0.96 -0.54 0.00 0.00 175.26 175.90 1v6f s ILE 129 N 0.45 4.73 0.40 -3.70 -4.36 -1.06 -4.95 121.20 112.71 1v6f s ILE 129 Ca -0.13 -0.08 0.12 0.00 -0.26 0.00 0.00 60.65 60.30 1v6f s ILE 129 Cb -0.15 -3.04 0.14 0.00 1.25 0.00 0.00 42.46 40.66 1v6f s ILE 129 CO 0.05 0.58 1.91 0.03 0.24 0.00 0.00 174.94 177.75 1v6f h ARG 130 N 5.42 0.07 -2.59 0.37 3.08 -1.89 -2.58 114.38 116.26 1v6f h ARG 130 Ca -0.49 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.44 1v6f h ARG 130 Cb 1.20 -0.01 -0.22 0.00 0.08 0.00 0.00 29.97 31.02 1v6f h ARG 130 CO 0.58 0.31 -0.14 -0.80 -1.07 0.00 0.00 179.97 178.86 1v6f s ASN 131 N -6.95 -0.47 0.50 7.04 0.01 -1.26 -1.04 114.94 112.78 1v6f s ASN 131 Ca -0.04 0.82 0.37 0.00 -0.71 0.00 0.00 52.86 53.29 1v6f s ASN 131 Cb 0.15 0.85 1.52 0.00 0.41 0.00 0.00 41.25 44.17 1v6f s ASN 131 CO 0.72 -0.25 1.69 0.71 -1.51 0.00 0.00 177.10 178.46 1v6f h THR 132 N 4.17 0.24 -1.00 1.60 1.35 -1.85 0.67 112.91 118.10 1v6f h THR 132 Ca -0.28 -0.02 0.06 0.00 -0.55 0.00 0.00 66.41 65.62 1v6f h THR 132 Cb 1.17 0.16 -0.07 0.00 -1.73 0.00 0.00 68.15 67.69 1v6f h THR 132 CO 0.25 0.01 0.64 -0.33 -0.25 0.00 0.00 175.52 175.84 1v6f h GLU 133 N 0.07 1.14 -0.93 4.72 5.08 -1.95 -1.74 114.58 120.97 1v6f h GLU 133 Ca 0.74 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 59.15 1v6f h GLU 133 Cb 2.67 -0.26 -0.08 0.00 0.50 0.00 0.00 28.75 31.57 1v6f h GLU 133 CO -0.15 0.76 0.56 0.22 -1.00 0.00 0.00 179.01 179.40 1v6f h ASP 134 N 1.18 0.80 -0.49 1.42 1.82 -0.05 -3.39 116.42 117.71 1v6f h ASP 134 Ca 0.43 0.06 -0.33 0.00 -0.39 0.00 0.00 57.03 56.79 1v6f h ASP 134 Cb 0.15 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 40.01 1v6f h ASP 134 CO -0.17 0.41 1.35 -0.11 -1.61 0.00 0.00 179.24 179.12 1v6f n LEU 135 N -4.70 0.74 -3.99 2.28 0.00 -0.66 -4.70 117.00 105.97 1v6f n LEU 135 Ca 0.17 -0.60 -0.08 0.00 0.00 0.00 0.00 56.01 55.50 1v6f n LEU 135 Cb 0.36 -1.18 -0.10 0.00 0.00 0.00 0.00 43.42 42.50 1v6f n LEU 135 CO 0.26 -1.61 -0.29 0.42 0.00 0.00 0.00 177.39 176.18 1v6f s THR 136 N 9.07 0.16 0.16 1.96 -4.23 -1.26 -4.25 115.64 117.25 1v6f s THR 136 Ca 1.15 -1.34 -0.24 0.00 -1.18 0.00 0.00 61.69 60.08 1v6f s THR 136 Cb -0.60 -1.05 0.04 0.00 1.34 0.00 0.00 72.50 72.23 1v6f s THR 136 CO 0.35 -0.74 1.60 -0.08 -0.54 0.00 0.00 174.62 175.21 1v6f h GLU 137 N 3.58 -0.28 -0.98 3.99 4.81 -1.89 0.11 114.58 123.94 1v6f h GLU 137 Ca -0.33 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.98 1v6f h GLU 137 Cb 1.17 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.55 1v6f h GLU 137 CO 0.55 -0.18 0.63 1.49 -0.73 0.00 0.00 179.01 180.77 1v6f h GLU 138 N -0.29 1.10 -0.55 1.92 4.81 -1.97 -1.97 114.58 117.63 1v6f h GLU 138 Ca 0.15 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1v6f h GLU 138 Cb 0.54 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1v6f h GLU 138 CO -0.51 0.73 0.26 2.35 -0.73 0.00 0.00 179.01 181.11 1v6f h TRP 139 N 1.13 0.80 0.22 0.92 7.01 -1.30 -2.60 115.95 122.14 1v6f h TRP 139 Ca 0.42 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.38 1v6f h TRP 139 Cb 0.18 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 1v6f h TRP 139 CO -0.00 0.62 -0.32 -0.07 -2.79 0.00 0.00 178.44 175.88 1v6f h LEU 140 N 0.74 -0.92 -1.97 0.65 3.38 -0.10 -1.12 115.31 115.97 1v6f h LEU 140 Ca 0.19 0.08 0.26 0.00 0.09 0.00 0.00 57.88 58.51 1v6f h LEU 140 Cb 0.13 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1v6f h LEU 140 CO -0.02 -0.39 0.69 0.03 0.09 0.00 0.00 178.44 178.83 1v6f h ARG 141 N -0.57 0.00 -0.46 1.13 3.08 -1.51 0.16 114.38 116.21 1v6f h ARG 141 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1v6f h ARG 141 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1v6f h ARG 141 CO -0.10 0.00 0.17 1.49 -1.07 0.00 0.00 179.97 180.47 1v6f h GLU 142 N 0.00 0.70 -0.46 0.04 4.57 -0.81 0.81 114.58 119.43 1v6f h GLU 142 Ca 0.43 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.39 1v6f h GLU 142 Cb 1.80 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 30.26 1v6f h GLU 142 CO -0.00 0.65 -0.04 0.87 -1.18 0.00 0.00 179.01 179.30 1v6f h LYS 143 N 0.61 0.84 -0.45 1.92 1.79 -0.18 -2.00 116.57 119.11 1v6f h LYS 143 Ca 0.15 -0.29 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 1v6f h LYS 143 Cb 0.22 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1v6f h LYS 143 CO -0.01 0.91 -0.11 -0.07 -1.08 0.00 0.00 179.45 179.09 1v6f h LEU 144 N 0.69 0.81 0.00 2.94 3.38 -1.29 -3.23 115.31 118.60 1v6f h LEU 144 Ca 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1v6f h LEU 144 Cb 0.56 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1v6f h LEU 144 CO 0.03 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.12 1v6f n GLY 145 N -0.41 -1.73 3.13 0.83 0.00 0.26 -4.61 105.19 102.66 1v6f n GLY 145 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.36 5.32 0.00 1.61 0.15 -0.76 -5.02 113.70 112.64 1v6f s SER 146 Ca 0.00 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 54.58 1v6f s SER 146 Cb 0.00 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 1v6f s SER 146 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1v6f n GLY 147 N 4.57 3.42 3.69 9.45 0.00 -1.22 -4.61 105.19 120.48 1v6f n GLY 147 Ca -0.02 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1v6f n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v6f s PRO 148 N 3.99 4.26 -0.47 1.61 0.04 -1.26 -4.94 135.00 138.24 1v6f s PRO 148 Ca 0.00 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 1v6f s PRO 148 Cb 0.00 -3.60 -0.02 0.00 0.04 0.00 0.00 34.50 30.92 1v6f s PRO 148 CO 0.00 -0.61 1.88 -1.12 0.04 0.00 0.00 177.00 177.19 1v6f s SER 149 N 2.02 5.48 -0.23 6.66 0.01 -1.26 -4.96 113.70 121.43 1v6f s SER 149 Ca 0.65 0.84 -0.02 0.00 1.31 0.00 0.00 55.95 58.73 1v6f s SER 149 Cb -0.32 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.39 1v6f s SER 149 CO 0.27 -2.12 -0.07 -0.44 0.41 0.00 0.00 173.24 171.29 1v6f s SER 150 N 7.55 4.12 0.00 2.44 0.01 -1.26 -5.33 113.70 121.22 1v6f s SER 150 Ca 0.75 -0.62 0.29 0.00 1.31 0.00 0.00 55.95 57.68 1v6f s SER 150 Cb -0.17 -1.67 1.23 0.00 0.21 0.00 0.00 66.02 65.62 1v6f s SER 150 CO 0.27 -0.06 1.85 0.61 0.41 0.00 0.00 173.24 176.32