#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 6.10 0.11 1.61 1.04 -1.26 -4.97 113.70 116.34 1v6f s SER 2 Ca 0.00 1.98 -0.33 0.00 0.48 0.00 0.00 55.95 58.08 1v6f s SER 2 Cb 0.00 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.44 1v6f s SER 2 CO 0.00 -0.95 1.57 0.28 0.98 0.00 0.00 173.24 175.12 1v6f h SER 3 N 1.32 -1.49 -3.06 7.02 0.02 -2.08 -3.48 113.55 111.81 1v6f h SER 3 Ca -0.49 0.17 0.30 0.00 -0.84 0.00 0.00 61.79 60.92 1v6f h SER 3 Cb 1.23 0.56 -0.14 0.00 0.14 0.00 0.00 62.40 64.19 1v6f h SER 3 CO 0.58 -0.51 -0.94 0.61 -1.14 0.00 0.00 176.83 175.43 1v6f n GLY 4 N -1.47 -2.52 3.61 -3.77 0.00 -1.26 -4.63 105.19 95.17 1v6f n GLY 4 Ca -0.07 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 -6.72 6.76 0.33 1.61 0.01 -1.26 -4.98 113.70 109.45 1v6f s SER 5 Ca 0.00 0.71 -0.12 0.00 1.31 0.00 0.00 55.95 57.84 1v6f s SER 5 Cb 0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1v6f s SER 5 CO 0.00 -1.01 0.64 -0.94 0.41 0.00 0.00 173.24 172.34 1v6f s SER 6 N 2.00 0.20 0.00 2.44 1.04 -1.26 -5.18 113.70 112.94 1v6f s SER 6 Ca 0.44 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1v6f s SER 6 Cb -0.10 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1v6f s SER 6 CO 0.22 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1v6f n GLY 7 N -0.50 1.42 3.68 7.32 0.00 -1.26 -5.03 105.19 110.82 1v6f n GLY 7 Ca -0.04 -0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 3.58 -3.52 1.61 3.41 -1.26 -4.94 113.62 112.50 1v6f n SER 8 Ca 0.00 1.02 -0.27 0.00 -0.26 0.00 0.00 58.87 59.36 1v6f n SER 8 Cb 0.00 -1.47 -0.10 0.00 -0.26 0.00 0.00 64.21 62.38 1v6f n SER 8 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1v6f n GLU 9 N 5.03 0.63 -4.25 4.33 1.02 -1.26 -4.92 120.64 121.22 1v6f n GLU 9 Ca 0.19 -3.52 -0.35 0.00 -0.02 0.00 0.00 57.16 53.46 1v6f n GLU 9 Cb 0.32 -1.83 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 1v6f n GLU 9 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1v6f n SER 10 N 2.58 -0.28 -4.86 1.62 7.64 -1.26 -4.90 113.62 114.16 1v6f n SER 10 Ca 0.27 -1.27 -0.31 0.00 1.01 0.00 0.00 58.87 58.57 1v6f n SER 10 Cb 0.45 -1.67 0.02 0.00 -1.01 0.00 0.00 64.21 62.00 1v6f n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1v6f s LEU 11 N -7.39 3.19 -0.42 -3.43 1.43 -1.26 -5.02 118.68 105.77 1v6f s LEU 11 Ca 0.12 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.63 1v6f s LEU 11 Cb -0.06 -4.43 0.11 0.00 0.03 0.00 0.00 46.19 41.84 1v6f s LEU 11 CO 0.99 -1.00 0.21 -0.69 0.23 0.00 0.00 176.35 176.09 1v6f s VAL 12 N -3.17 3.20 -0.08 -1.59 1.01 -1.25 -5.00 120.40 113.51 1v6f s VAL 12 Ca 0.56 -2.17 -0.15 0.00 0.00 0.00 0.00 61.98 60.21 1v6f s VAL 12 Cb -0.11 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1v6f s VAL 12 CO 0.54 -0.70 0.38 -0.69 0.00 0.00 0.00 175.10 174.63 1v6f s VAL 13 N 1.00 5.17 0.29 2.92 1.01 -1.26 -3.97 120.40 125.57 1v6f s VAL 13 Ca 0.09 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1v6f s VAL 13 Cb -0.22 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1v6f s VAL 13 CO -0.04 0.46 0.14 0.00 0.00 0.00 0.00 175.10 175.66 1v6f s ASP 15 N -2.67 4.99 -0.24 0.00 1.11 -1.26 -4.83 116.67 113.77 1v6f s ASP 15 Ca 0.11 -0.72 -0.12 0.00 0.18 0.00 0.00 52.55 52.00 1v6f s ASP 15 Cb -0.01 -0.68 -0.05 0.00 1.07 0.00 0.00 42.92 43.25 1v6f s ASP 15 CO 0.07 -0.52 0.21 0.68 1.18 0.00 0.00 175.17 176.79 1v6f s VAL 16 N -2.44 5.32 0.12 -1.27 -7.23 -1.26 -0.84 120.40 112.80 1v6f s VAL 16 Ca 0.44 0.27 -0.31 0.00 -1.81 0.00 0.00 61.98 60.57 1v6f s VAL 16 Cb -0.03 -3.55 -0.09 0.00 0.56 0.00 0.00 36.38 33.27 1v6f s VAL 16 CO 0.26 0.32 1.62 0.00 -0.31 0.00 0.00 175.10 176.98 1v6f s ALA 17 N 1.20 3.73 0.32 1.32 0.00 0.17 -4.86 121.76 123.64 1v6f s ALA 17 Ca 0.09 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.41 1v6f s ALA 17 Cb -0.14 -3.66 0.72 0.00 0.00 0.00 0.00 23.12 20.04 1v6f s ALA 17 CO 0.06 -0.95 1.82 1.05 0.00 0.00 0.00 175.76 177.74 1v6f h GLU 18 N 7.58 0.78 -0.19 0.00 4.11 -1.97 0.23 114.58 125.13 1v6f h GLU 18 Ca -0.43 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.00 1v6f h GLU 18 Cb 1.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1v6f h GLU 18 CO 0.92 0.52 0.14 -0.44 0.07 0.00 0.00 179.01 180.22 1v6f h ASP 19 N 0.81 0.05 0.00 3.06 3.32 -1.93 -2.41 116.42 119.32 1v6f h ASP 19 Ca 0.51 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.48 1v6f h ASP 19 Cb 0.73 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1v6f h ASP 19 CO -0.28 0.04 -0.55 0.25 -1.72 0.00 0.00 179.24 176.97 1v6f h LEU 20 N 0.06 0.00 -0.93 1.55 5.85 -0.94 -3.38 115.31 117.53 1v6f h LEU 20 Ca 0.09 -0.44 0.17 0.00 0.84 0.00 0.00 57.88 58.54 1v6f h LEU 20 Cb 0.27 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.14 1v6f h LEU 20 CO -0.01 1.03 -0.28 0.58 -0.34 0.00 0.00 178.44 179.43 1v6f h VAL 21 N -1.00 0.06 -0.92 1.05 2.07 -0.95 0.49 116.25 117.05 1v6f h VAL 21 Ca -0.12 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.66 1v6f h VAL 21 Cb 0.83 0.06 -0.16 0.00 -1.52 0.00 0.00 31.29 30.50 1v6f h VAL 21 CO -0.07 0.00 0.23 1.05 0.02 0.00 0.00 177.57 178.79 1v6f h GLU 22 N -0.01 0.14 0.57 1.57 4.11 -1.61 0.54 114.58 119.88 1v6f h GLU 22 Ca 0.41 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.80 1v6f h GLU 22 Cb 0.65 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1v6f h GLU 22 CO -0.95 0.09 -0.27 0.87 0.07 0.00 0.00 179.01 178.82 1v6f h LYS 23 N 0.14 -0.73 -0.79 1.06 1.57 -0.19 -2.81 116.57 114.83 1v6f h LYS 23 Ca 0.60 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.59 1v6f h LYS 23 Cb 1.27 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 33.64 1v6f h LYS 23 CO -0.73 -0.44 0.28 -0.07 -0.57 0.00 0.00 179.45 177.93 1v6f h LEU 24 N -0.90 0.20 -0.72 2.94 3.38 -0.76 0.58 115.31 120.02 1v6f h LEU 24 Ca -0.08 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1v6f h LEU 24 Cb 0.63 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 1v6f h LEU 24 CO 0.13 0.03 0.34 0.03 0.09 0.00 0.00 178.44 179.06 1v6f h ARG 25 N 0.37 0.55 -0.24 1.13 3.08 -0.87 -2.06 114.38 116.35 1v6f h ARG 25 Ca 0.45 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.43 1v6f h ARG 25 Cb 0.76 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1v6f h ARG 25 CO -0.47 0.36 0.02 0.87 -1.07 0.00 0.00 179.97 179.68 1v6f h LYS 26 N 0.56 0.41 -0.85 0.04 1.79 -0.66 -3.13 116.57 114.73 1v6f h LYS 26 Ca 0.37 -0.12 0.16 0.00 -2.18 0.00 0.00 60.65 58.87 1v6f h LYS 26 Cb 0.43 -0.04 -0.16 0.00 -1.58 0.00 0.00 32.23 30.88 1v6f h LYS 26 CO -0.30 0.57 -0.25 0.34 -1.08 0.00 0.00 179.45 178.73 1v6f n PHE 27 N -4.67 0.23 -0.03 -1.35 -0.00 -0.58 0.17 117.46 111.23 1v6f n PHE 27 Ca -0.04 1.04 -0.11 0.00 -0.00 0.00 0.00 57.45 58.35 1v6f n PHE 27 Cb 0.22 -0.95 -0.06 0.00 -0.00 0.00 0.00 39.48 38.70 1v6f n PHE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1v6f h ARG 28 N 0.00 0.21 -1.07 -4.13 2.47 -1.50 -2.90 114.38 107.46 1v6f h ARG 28 Ca 0.38 -0.04 -0.56 0.00 -1.26 0.00 0.00 59.98 58.50 1v6f h ARG 28 Cb 0.59 -0.03 -0.27 0.00 -1.65 0.00 0.00 29.97 28.62 1v6f h ARG 28 CO -0.87 0.31 0.72 1.19 0.56 0.00 0.00 179.97 181.88 1v6f n PHE 29 N -4.88 2.85 -2.50 3.04 3.72 0.21 -4.97 117.46 114.94 1v6f n PHE 29 Ca -0.05 -2.44 -0.42 0.00 -0.05 0.00 0.00 57.45 54.49 1v6f n PHE 29 Cb 0.12 -1.19 -0.03 0.00 -0.94 0.00 0.00 39.48 37.44 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 -3.26 4.42 -0.13 -1.08 1.70 0.45 -4.91 118.95 116.13 1v6f s ARG 30 Ca 0.56 1.66 0.00 0.00 -0.47 0.00 0.00 55.73 57.47 1v6f s ARG 30 Cb 0.45 -3.46 0.12 0.00 -0.57 0.00 0.00 34.95 31.48 1v6f s ARG 30 CO 0.03 -0.31 1.68 1.63 -1.08 0.00 0.00 175.30 177.25 1v6f n LYS 31 N 4.51 1.33 -4.65 3.89 4.76 -1.26 -4.84 118.16 121.90 1v6f n LYS 31 Ca 0.09 -0.70 -0.28 0.00 -2.87 0.00 0.00 58.31 54.55 1v6f n LYS 31 Cb 0.47 -1.28 -0.14 0.00 -1.84 0.00 0.00 35.03 32.25 1v6f n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1v6f s GLU 32 N -0.80 1.53 -0.09 1.97 0.41 -1.26 -5.04 118.70 115.42 1v6f s GLU 32 Ca 0.14 -1.14 -0.03 0.00 -0.41 0.00 0.00 54.97 53.53 1v6f s GLU 32 Cb 0.11 -1.78 -0.26 0.00 -1.78 0.00 0.00 34.13 30.41 1v6f s GLU 32 CO 0.01 0.45 0.48 1.15 -0.49 0.00 0.00 175.26 176.86 1v6f h THR 33 N 4.15 0.73 -2.23 3.63 2.02 -2.04 -3.48 112.91 115.69 1v6f h THR 33 Ca -0.47 -2.45 -0.24 0.00 0.77 0.00 0.00 66.41 64.02 1v6f h THR 33 Cb 1.16 2.53 0.14 0.00 -1.74 0.00 0.00 68.15 70.24 1v6f h THR 33 CO 0.42 0.81 -0.12 0.00 0.37 0.00 0.00 175.52 177.01 1v6f n HIS 34 N -3.40 -3.09 -2.85 3.16 1.44 -1.26 -5.04 115.22 104.17 1v6f n HIS 34 Ca -0.27 -0.49 -0.22 0.00 -2.01 0.00 0.00 57.72 54.73 1v6f n HIS 34 Cb 1.05 -0.91 0.09 0.00 0.12 0.00 0.00 29.99 30.35 1v6f n HIS 34 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1v6f s ASN 35 N -2.63 4.66 0.19 4.39 -0.87 -1.26 -4.86 114.94 114.57 1v6f s ASN 35 Ca 0.44 -0.72 -0.24 0.00 -1.57 0.00 0.00 52.86 50.77 1v6f s ASN 35 Cb -0.08 0.33 0.05 0.00 -0.02 0.00 0.00 41.25 41.53 1v6f s ASN 35 CO 0.37 -1.67 0.89 0.00 -2.57 0.00 0.00 177.10 174.12 1v6f s ALA 36 N -2.92 -1.52 -0.26 0.60 0.00 -1.26 0.77 121.76 117.17 1v6f s ALA 36 Ca 0.65 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 1v6f s ALA 36 Cb -0.05 0.70 0.10 0.00 0.00 0.00 0.00 23.12 23.87 1v6f s ALA 36 CO 0.42 -1.04 0.60 0.00 0.00 0.00 0.00 175.76 175.73 1v6f s ALA 37 N -3.46 -1.72 -0.20 0.00 0.00 0.23 -2.37 121.76 114.23 1v6f s ALA 37 Ca 0.12 2.14 -0.04 0.00 0.00 0.00 0.00 51.96 54.18 1v6f s ALA 37 Cb -0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 1v6f s ALA 37 CO 0.04 -0.62 -0.04 0.42 0.00 0.00 0.00 175.76 175.55 1v6f s ILE 38 N 2.22 3.52 -0.00 0.00 1.01 -0.97 -0.05 121.20 126.93 1v6f s ILE 38 Ca -0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1v6f s ILE 38 Cb -0.09 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1v6f s ILE 38 CO -0.18 0.44 0.12 -0.63 0.00 0.00 0.00 174.94 174.69 1v6f s ILE 39 N 1.20 4.96 0.02 2.92 1.01 -0.99 -1.02 121.20 129.29 1v6f s ILE 39 Ca 0.03 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1v6f s ILE 39 Cb -0.14 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1v6f s ILE 39 CO -0.01 0.33 -0.04 -0.04 0.00 0.00 0.00 174.94 175.18 1v6f s MET 40 N -1.84 0.34 0.13 2.79 -1.94 -0.27 -1.33 119.30 117.19 1v6f s MET 40 Ca 0.25 -0.41 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 1v6f s MET 40 Cb -0.12 -0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.50 1v6f s MET 40 CO 0.16 0.04 -0.01 -1.59 -0.01 0.00 0.00 175.02 173.60 1v6f s LYS 41 N -0.81 0.96 -0.05 2.03 0.00 -1.17 -2.56 119.74 118.14 1v6f s LYS 41 Ca -0.06 -1.44 0.05 0.00 0.00 0.00 0.00 55.97 54.53 1v6f s LYS 41 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 37.83 37.62 1v6f s LYS 41 CO -0.00 -0.12 -0.20 0.42 0.00 0.00 0.00 175.35 175.46 1v6f s ILE 42 N -3.73 2.59 0.39 3.79 1.01 -1.26 -2.89 121.20 121.09 1v6f s ILE 42 Ca 0.19 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1v6f s ILE 42 Cb 0.06 -1.98 0.07 0.00 0.01 0.00 0.00 42.46 40.63 1v6f s ILE 42 CO 0.00 0.58 0.54 -0.67 0.00 0.00 0.00 174.94 175.39 1v6f n ASP 43 N 2.55 0.99 -0.26 3.58 2.03 -1.26 -5.03 116.55 119.14 1v6f n ASP 43 Ca -0.17 -1.77 0.06 0.00 0.52 0.00 0.00 54.79 53.43 1v6f n ASP 43 Cb 0.52 -0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.93 2.00 -0.00 -0.67 0.00 -1.26 -4.23 118.16 112.07 1v6f n LYS 44 Ca 0.10 -0.62 -0.01 0.00 -0.00 0.00 0.00 58.31 57.78 1v6f n LYS 44 Cb 0.35 -1.17 -0.00 0.00 -0.00 0.00 0.00 35.03 34.21 1v6f n LYS 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1v6f n ASP 45 N -0.32 0.32 0.05 -5.58 2.03 -1.26 -4.64 116.55 107.15 1v6f n ASP 45 Ca 0.05 0.05 0.04 0.00 0.52 0.00 0.00 54.79 55.45 1v6f n ASP 45 Cb 0.26 -0.28 0.21 0.00 -0.72 0.00 0.00 41.12 40.60 1v6f n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1v6f n GLU 46 N -2.81 0.04 -3.39 -0.67 -0.58 -1.26 -4.80 120.64 107.17 1v6f n GLU 46 Ca -0.01 0.50 -0.23 0.00 -0.42 0.00 0.00 57.16 57.00 1v6f n GLU 46 Cb 0.05 -1.63 -0.05 0.00 -0.57 0.00 0.00 31.44 29.24 1v6f n GLU 46 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1v6f n ARG 47 N -1.72 -0.88 -3.86 3.49 -4.01 -1.26 -4.85 116.66 103.57 1v6f n ARG 47 Ca 0.00 0.07 -0.12 0.00 -1.04 0.00 0.00 57.85 56.76 1v6f n ARG 47 Cb 0.04 -2.54 -0.13 0.00 -3.04 0.00 0.00 32.46 26.79 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 -4.99 1.86 -0.12 2.89 2.96 -1.26 -4.26 118.68 115.76 1v6f s LEU 48 Ca 0.32 0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 1v6f s LEU 48 Cb -0.19 0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.61 1v6f s LEU 48 CO 0.60 -0.04 1.47 -0.69 -1.32 0.00 0.00 176.35 176.38 1v6f s VAL 49 N -0.08 3.91 0.28 1.68 1.01 -0.02 -4.35 120.40 122.83 1v6f s VAL 49 Ca -0.01 1.09 0.10 0.00 0.00 0.00 0.00 61.98 63.16 1v6f s VAL 49 Cb -0.01 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1v6f s VAL 49 CO 0.00 -0.12 -0.16 0.68 0.00 0.00 0.00 175.10 175.50 1v6f s VAL 50 N 3.90 2.25 -0.05 2.92 -7.23 -1.14 0.44 120.40 121.49 1v6f s VAL 50 Ca 0.65 -2.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 1v6f s VAL 50 Cb -0.27 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1v6f s VAL 50 CO 0.23 -0.38 1.37 -0.22 -0.31 0.00 0.00 175.10 175.79 1v6f s LEU 51 N -3.49 4.28 -0.14 1.32 1.98 -1.26 -3.05 118.68 118.32 1v6f s LEU 51 Ca 0.29 2.00 -0.18 0.00 -2.89 0.00 0.00 54.13 53.35 1v6f s LEU 51 Cb -0.02 -3.55 -0.25 0.00 0.66 0.00 0.00 46.19 43.03 1v6f s LEU 51 CO 0.14 -0.73 0.48 -0.78 -1.89 0.00 0.00 176.35 173.56 1v6f h ASP 52 N 8.07 0.23 -4.74 3.68 1.82 -1.56 -3.48 116.42 120.45 1v6f h ASP 52 Ca -0.35 -0.78 0.25 0.00 -0.39 0.00 0.00 57.03 55.75 1v6f h ASP 52 Cb 1.16 -0.08 -0.16 0.00 0.68 0.00 0.00 39.33 40.93 1v6f h ASP 52 CO 0.92 1.52 0.75 -1.83 -1.61 0.00 0.00 179.24 179.00 1v6f s GLU 53 N -2.42 0.45 -0.11 0.28 -1.05 -1.23 -5.02 118.70 109.60 1v6f s GLU 53 Ca -0.22 -0.20 0.02 0.00 -0.15 0.00 0.00 54.97 54.42 1v6f s GLU 53 Cb 0.04 0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.93 1v6f s GLU 53 CO 0.71 -0.20 -0.18 -1.21 0.95 0.00 0.00 175.26 175.33 1v6f s GLU 54 N -2.56 2.49 -0.13 -4.83 2.02 -1.26 -2.36 118.70 112.06 1v6f s GLU 54 Ca 0.10 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.41 1v6f s GLU 54 Cb 0.00 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 1v6f s GLU 54 CO -0.05 0.01 -0.09 -0.51 0.02 0.00 0.00 175.26 174.65 1v6f s LEU 55 N 0.77 2.97 0.17 1.80 1.43 0.92 -4.97 118.68 121.78 1v6f s LEU 55 Ca -0.10 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 1v6f s LEU 55 Cb -0.16 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1v6f s LEU 55 CO 0.01 0.19 -0.10 -1.61 0.23 0.00 0.00 176.35 175.07 1v6f s GLU 56 N 0.22 2.03 -1.16 1.70 8.01 -1.26 0.75 118.70 128.99 1v6f s GLU 56 Ca -0.06 -1.26 -0.34 0.00 0.01 0.00 0.00 54.97 53.33 1v6f s GLU 56 Cb -0.15 -2.16 0.05 0.00 -4.31 0.00 0.00 34.13 27.56 1v6f s GLU 56 CO 0.04 0.44 0.65 0.41 0.01 0.00 0.00 175.26 176.81 1v6f n GLY 57 N 0.12 -0.81 3.80 -1.39 0.00 0.23 -4.85 105.19 102.29 1v6f n GLY 57 Ca -0.11 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.57 1.27 0.20 1.61 -7.23 -1.26 -4.90 120.40 106.52 1v6f s VAL 58 Ca 0.47 -1.86 0.05 0.00 -1.81 0.00 0.00 61.98 58.83 1v6f s VAL 58 Cb -0.26 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1v6f s VAL 58 CO 0.94 0.00 -0.08 -0.44 -0.31 0.00 0.00 175.10 175.21 1v6f s SER 59 N -3.99 2.14 0.00 4.85 0.01 -1.26 -4.73 113.70 110.71 1v6f s SER 59 Ca 0.13 -1.09 0.14 0.00 1.31 0.00 0.00 55.95 56.44 1v6f s SER 59 Cb 0.00 -0.06 0.62 0.00 0.21 0.00 0.00 66.02 66.80 1v6f s SER 59 CO 0.07 -0.34 1.45 -0.81 0.41 0.00 0.00 173.24 174.03 1v6f n PRO 60 N -0.36 0.02 -0.06 12.44 -0.04 -1.26 -0.38 135.00 145.37 1v6f n PRO 60 Ca -0.08 0.24 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1v6f n PRO 60 Cb 0.62 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.47 0.66 -0.04 3.54 2.03 -1.26 -3.87 116.55 116.13 1v6f n ASP 61 Ca 0.04 0.19 -0.08 0.00 0.52 0.00 0.00 54.79 55.46 1v6f n ASP 61 Cb 0.16 0.31 -0.14 0.00 -0.72 0.00 0.00 41.12 40.72 1v6f n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1v6f n GLU 62 N -2.96 0.65 0.21 -0.67 1.02 -1.04 -4.26 120.64 113.59 1v6f n GLU 62 Ca -0.26 0.19 -0.15 0.00 -0.02 0.00 0.00 57.16 56.92 1v6f n GLU 62 Cb 1.09 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 30.73 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 -0.53 -1.96 -4.62 5.85 -0.91 -1.86 115.31 111.28 1v6f h LEU 63 Ca -0.36 0.03 0.21 0.00 0.84 0.00 0.00 57.88 58.60 1v6f h LEU 63 Cb 2.06 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 43.22 1v6f h LEU 63 CO 0.06 -0.34 0.59 0.07 -0.34 0.00 0.00 178.44 178.48 1v6f h LYS 64 N -0.53 0.00 0.00 1.25 2.10 -1.76 0.58 116.57 118.20 1v6f h LYS 64 Ca -0.04 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.53 1v6f h LYS 64 Cb 0.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1v6f h LYS 64 CO 0.04 0.00 -0.39 0.22 -2.00 0.00 0.00 179.45 177.32 1v6f h ASP 65 N 0.00 0.00 -0.40 7.07 3.58 -1.52 -2.24 116.42 122.92 1v6f h ASP 65 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1v6f h ASP 65 Cb 1.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.57 1v6f h ASP 65 CO -0.00 0.39 0.00 -0.62 -2.88 0.00 0.00 179.24 176.13 1v6f n GLU 66 N -3.95 2.02 -4.29 0.28 -0.58 0.20 -4.88 120.64 109.44 1v6f n GLU 66 Ca -0.02 -1.48 -0.29 0.00 -0.42 0.00 0.00 57.16 54.96 1v6f n GLU 66 Cb 0.44 -1.36 -0.11 0.00 -0.57 0.00 0.00 31.44 29.84 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 -1.03 2.79 0.17 -4.62 1.43 -0.84 -5.10 118.68 111.47 1v6f s LEU 67 Ca 0.27 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 1v6f s LEU 67 Cb 0.15 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.69 1v6f s LEU 67 CO 0.18 0.16 1.32 -2.16 0.23 0.00 0.00 176.35 176.08 1v6f s PRO 68 N -2.30 4.38 -0.19 1.29 0.04 -1.26 -4.93 135.00 132.03 1v6f s PRO 68 Ca 0.20 2.04 0.15 0.00 0.04 0.00 0.00 61.00 63.43 1v6f s PRO 68 Cb -0.10 -3.21 0.72 0.00 0.04 0.00 0.00 34.50 31.94 1v6f s PRO 68 CO 0.12 -0.29 1.64 -0.85 0.04 0.00 0.00 177.00 177.65 1v6f n GLU 69 N 2.98 4.16 0.00 4.56 0.28 -1.26 -4.33 120.64 127.03 1v6f n GLU 69 Ca 0.07 -3.01 0.00 0.00 -0.16 0.00 0.00 57.16 54.07 1v6f n GLU 69 Cb 0.43 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 31.23 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 0.44 2.02 -4.44 3.44 1.74 -1.26 -4.79 116.66 113.80 1v6f n ARG 70 Ca 0.25 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.08 1v6f n ARG 70 Cb 1.05 -0.78 -0.13 0.00 -1.02 0.00 0.00 32.46 31.57 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 -1.57 1.27 0.10 5.56 -0.21 -1.26 -3.94 119.66 119.61 1v6f s GLN 71 Ca 0.00 -1.10 -0.31 0.00 0.02 0.00 0.00 55.36 53.97 1v6f s GLN 71 Cb 0.00 -1.50 -0.07 0.00 1.00 0.00 0.00 33.01 32.43 1v6f s GLN 71 CO 0.00 0.36 1.37 -1.25 -2.12 0.00 0.00 175.29 173.66 1v6f s PRO 72 N -1.64 4.33 0.11 2.91 0.04 -1.26 -4.61 135.00 134.87 1v6f s PRO 72 Ca 0.08 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.19 1v6f s PRO 72 Cb -0.10 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1v6f s PRO 72 CO 0.03 -0.43 -0.10 0.50 0.04 0.00 0.00 177.00 177.05 1v6f s ARG 73 N 1.23 0.90 -0.13 4.56 6.06 -0.56 -5.01 118.95 126.00 1v6f s ARG 73 Ca 0.64 -1.26 -0.10 0.00 -2.50 0.00 0.00 55.73 52.51 1v6f s ARG 73 Cb -0.36 -0.50 -0.05 0.00 0.06 0.00 0.00 34.95 34.10 1v6f s ARG 73 CO 0.30 0.06 0.21 -0.06 -2.50 0.00 0.00 175.30 173.31 1v6f s PHE 74 N -2.85 3.54 -0.13 5.12 0.08 -1.06 -2.02 117.98 120.65 1v6f s PHE 74 Ca 0.09 0.56 -0.07 0.00 0.12 0.00 0.00 56.93 57.63 1v6f s PHE 74 Cb -0.00 -2.13 0.05 0.00 -0.57 0.00 0.00 43.02 40.37 1v6f s PHE 74 CO -0.01 0.50 0.32 0.42 -0.10 0.00 0.00 175.22 176.35 1v6f s ILE 75 N -0.35 -0.06 -0.38 0.64 1.09 -1.12 -1.11 121.20 119.90 1v6f s ILE 75 Ca 0.15 0.13 -0.01 0.00 -1.10 0.00 0.00 60.65 59.82 1v6f s ILE 75 Cb -0.13 -0.48 0.10 0.00 -1.06 0.00 0.00 42.46 40.90 1v6f s ILE 75 CO 0.04 0.05 0.15 -0.69 -0.10 0.00 0.00 174.94 174.39 1v6f s VAL 76 N 1.39 2.97 0.07 2.92 1.01 -0.19 -0.76 120.40 127.81 1v6f s VAL 76 Ca -0.09 -2.12 -0.10 0.00 0.00 0.00 0.00 61.98 59.67 1v6f s VAL 76 Cb -0.10 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1v6f s VAL 76 CO -0.10 -0.64 0.39 -0.47 0.00 0.00 0.00 175.10 174.28 1v6f s TYR 77 N 1.07 3.59 -0.54 5.22 5.04 -1.21 -2.30 117.35 128.22 1v6f s TYR 77 Ca 0.09 0.79 -0.04 0.00 -2.44 0.00 0.00 57.07 55.47 1v6f s TYR 77 Cb -0.22 -2.16 0.14 0.00 0.35 0.00 0.00 41.96 40.08 1v6f s TYR 77 CO -0.05 0.53 0.35 0.45 -1.34 0.00 0.00 175.55 175.49 1v6f s SER 78 N -1.73 5.31 0.81 4.32 0.15 -1.00 -2.89 113.70 118.68 1v6f s SER 78 Ca 0.32 -2.48 -0.12 0.00 0.70 0.00 0.00 55.95 54.37 1v6f s SER 78 Cb -0.14 -1.86 0.08 0.00 -1.71 0.00 0.00 66.02 62.38 1v6f s SER 78 CO 0.18 -0.46 1.17 -0.47 1.20 0.00 0.00 173.24 174.86 1v6f s TYR 79 N 0.49 2.95 -0.16 3.44 5.04 -1.25 -4.30 117.35 123.55 1v6f s TYR 79 Ca 0.13 0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 55.52 1v6f s TYR 79 Cb -0.21 -3.46 -0.02 0.00 0.35 0.00 0.00 41.96 38.62 1v6f s TYR 79 CO -0.04 -1.77 -0.08 0.21 -1.34 0.00 0.00 175.55 172.53 1v6f s LYS 80 N -5.54 3.46 -0.44 4.97 2.20 -1.26 -3.18 119.74 119.95 1v6f s LYS 80 Ca 0.62 -0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1v6f s LYS 80 Cb -0.11 -2.81 0.12 0.00 -1.51 0.00 0.00 37.83 33.52 1v6f s LYS 80 CO 0.50 0.11 0.21 -0.47 -0.36 0.00 0.00 175.35 175.33 1v6f s TYR 81 N 0.66 3.57 0.13 4.03 6.14 0.10 -4.99 117.35 126.99 1v6f s TYR 81 Ca -0.04 -2.69 -0.27 0.00 0.64 0.00 0.00 57.07 54.70 1v6f s TYR 81 Cb -0.15 -3.11 -0.07 0.00 0.42 0.00 0.00 41.96 39.05 1v6f s TYR 81 CO 0.02 -0.92 0.84 -1.14 0.64 0.00 0.00 175.55 174.99 1v6f s GLN 82 N 0.75 4.63 -0.07 4.97 -0.44 -1.26 -2.12 119.66 126.11 1v6f s GLN 82 Ca 0.11 1.25 -0.03 0.00 -2.50 0.00 0.00 55.36 54.20 1v6f s GLN 82 Cb -0.22 -3.32 -0.04 0.00 -1.64 0.00 0.00 33.01 27.80 1v6f s GLN 82 CO -0.05 0.40 0.06 -1.01 0.50 0.00 0.00 175.29 175.20 1v6f s HIS 83 N -0.59 3.32 0.15 1.67 3.76 0.25 -4.97 115.29 118.89 1v6f s HIS 83 Ca 0.40 0.30 -0.31 0.00 -0.15 0.00 0.00 55.06 55.30 1v6f s HIS 83 Cb -0.23 -1.82 -0.06 0.00 1.11 0.00 0.00 32.58 31.58 1v6f s HIS 83 CO 0.27 0.57 1.55 0.22 -0.85 0.00 0.00 174.74 176.50 1v6f h ASP 84 N 4.81 -1.98 -0.97 1.40 1.82 -1.97 0.36 116.42 119.88 1v6f h ASP 84 Ca -0.52 0.29 0.32 0.00 -0.39 0.00 0.00 57.03 56.74 1v6f h ASP 84 Cb 1.20 0.86 -0.17 0.00 0.68 0.00 0.00 39.33 41.90 1v6f h ASP 84 CO 0.58 -0.30 0.36 -0.78 -1.61 0.00 0.00 179.24 177.49 1v6f h ASP 85 N -0.16 0.11 0.00 2.28 3.58 -2.04 -3.44 116.42 116.74 1v6f h ASP 85 Ca 0.14 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1v6f h ASP 85 Cb 0.50 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1v6f h ASP 85 CO -0.80 -0.29 0.00 0.61 -2.88 0.00 0.00 179.24 175.88 1v6f n GLY 86 N -1.35 2.15 3.75 -0.78 0.00 0.13 -5.13 105.19 103.96 1v6f n GLY 86 Ca 0.30 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1v6f n GLY 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1v6f n ARG 87 N 0.00 2.28 -3.75 1.61 3.00 -1.25 -4.52 116.66 114.03 1v6f n ARG 87 Ca 0.00 0.81 -0.13 0.00 -0.00 0.00 0.00 57.85 58.53 1v6f n ARG 87 Cb 0.00 -2.58 -0.13 0.00 0.00 0.00 0.00 32.46 29.75 1v6f n ARG 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1v6f s VAL 88 N -1.17 -0.03 0.17 5.15 0.11 -1.26 0.87 120.40 124.23 1v6f s VAL 88 Ca 0.59 0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.81 1v6f s VAL 88 Cb -0.47 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1v6f s VAL 88 CO 0.59 0.05 -0.10 -0.55 -3.33 0.00 0.00 175.10 171.76 1v6f s SER 89 N 0.95 1.99 -0.73 3.54 0.15 -0.90 -4.94 113.70 113.75 1v6f s SER 89 Ca -0.07 -1.03 -0.04 0.00 0.70 0.00 0.00 55.95 55.50 1v6f s SER 89 Cb -0.08 -0.04 0.19 0.00 -1.71 0.00 0.00 66.02 64.37 1v6f s SER 89 CO -0.06 -0.31 0.58 -0.31 1.20 0.00 0.00 173.24 174.35 1v6f s TYR 90 N -3.25 3.58 -0.35 3.44 2.02 -1.26 0.02 117.35 121.56 1v6f s TYR 90 Ca 0.19 -2.68 -0.28 0.00 -0.37 0.00 0.00 57.07 53.93 1v6f s TYR 90 Cb 0.02 -3.32 -0.01 0.00 -0.40 0.00 0.00 41.96 38.25 1v6f s TYR 90 CO 0.03 -0.84 1.70 -1.25 -1.57 0.00 0.00 175.55 173.62 1v6f s PRO 91 N -0.37 3.41 -0.10 -1.71 0.04 -1.19 -4.77 135.00 130.30 1v6f s PRO 91 Ca 0.20 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 1v6f s PRO 91 Cb -0.15 -4.15 -0.02 0.00 0.04 0.00 0.00 34.50 30.22 1v6f s PRO 91 CO -0.06 -1.77 1.09 -0.51 0.04 0.00 0.00 177.00 175.78 1v6f s LEU 92 N 6.49 4.24 0.24 -3.56 1.02 -1.26 -3.90 118.68 121.94 1v6f s LEU 92 Ca 0.75 1.62 0.11 0.00 0.02 0.00 0.00 54.13 56.63 1v6f s LEU 92 Cb -0.20 -3.55 -0.05 0.00 0.02 0.00 0.00 46.19 42.40 1v6f s LEU 92 CO 0.34 -0.53 -0.20 0.00 0.02 0.00 0.00 176.35 175.98 1v6f s PHE 94 N -2.38 3.18 -0.52 0.00 2.19 -0.60 -3.31 117.98 116.54 1v6f s PHE 94 Ca 0.25 -0.31 -0.15 0.00 0.33 0.00 0.00 56.93 57.05 1v6f s PHE 94 Cb -0.05 -2.85 0.12 0.00 -1.31 0.00 0.00 43.02 38.93 1v6f s PHE 94 CO 0.12 -0.65 0.46 0.42 1.83 0.00 0.00 175.22 177.39 1v6f s ILE 95 N 2.11 5.07 -0.90 3.12 1.01 0.06 -0.80 121.20 130.86 1v6f s ILE 95 Ca 0.12 -1.45 -0.23 0.00 0.00 0.00 0.00 60.65 59.09 1v6f s ILE 95 Cb -0.17 -4.21 0.06 0.00 0.01 0.00 0.00 42.46 38.15 1v6f s ILE 95 CO 0.13 -0.80 1.30 0.12 0.00 0.00 0.00 174.94 175.69 1v6f s PHE 96 N 1.57 2.61 -0.78 3.97 5.36 -0.35 -2.81 117.98 127.56 1v6f s PHE 96 Ca 0.04 -0.74 -0.25 0.00 -0.96 0.00 0.00 56.93 55.01 1v6f s PHE 96 Cb -0.28 -4.56 -0.04 0.00 -0.34 0.00 0.00 43.02 37.80 1v6f s PHE 96 CO 0.03 -1.85 1.90 -1.54 -1.46 0.00 0.00 175.22 172.31 1v6f s SER 97 N 4.30 5.21 -0.38 6.13 1.04 -0.85 -2.67 113.70 126.47 1v6f s SER 97 Ca 0.38 -0.26 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 1v6f s SER 97 Cb -0.05 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.62 1v6f s SER 97 CO -0.02 -2.58 0.15 -0.94 0.98 0.00 0.00 173.24 170.83 1v6f s SER 98 N 8.02 5.14 -0.11 7.02 1.04 -0.63 -1.50 113.70 132.68 1v6f s SER 98 Ca 0.69 -1.90 -0.29 0.00 0.48 0.00 0.00 55.95 54.92 1v6f s SER 98 Cb -0.09 -1.79 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 1v6f s SER 98 CO 0.08 -0.47 1.53 -2.16 0.98 0.00 0.00 173.24 173.20 1v6f s PRO 99 N 1.14 4.15 0.43 4.02 0.04 -1.20 -3.86 135.00 139.71 1v6f s PRO 99 Ca 0.06 1.96 0.31 0.00 0.04 0.00 0.00 61.00 63.37 1v6f s PRO 99 Cb -0.22 -3.93 1.45 0.00 0.04 0.00 0.00 34.50 31.85 1v6f s PRO 99 CO -0.04 -0.86 1.53 1.33 0.04 0.00 0.00 177.00 179.00 1v6f n VAL 100 N 5.56 -0.26 0.93 -0.36 0.24 0.14 0.17 118.33 124.75 1v6f n VAL 100 Ca 0.16 1.78 0.00 0.00 -2.04 0.00 0.00 64.34 64.25 1v6f n VAL 100 Cb 0.44 -2.92 0.00 0.00 -1.47 0.00 0.00 33.84 29.89 1v6f n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v6f n GLY 101 N -1.49 1.76 3.95 7.63 0.00 -1.26 -4.84 105.19 110.95 1v6f n GLY 101 Ca 0.39 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.37 3.53 -0.02 0.00 -2.85 -1.26 -5.02 119.74 109.75 1v6f s LYS 103 Ca 0.43 -0.30 -0.26 0.00 -1.00 0.00 0.00 55.97 54.85 1v6f s LYS 103 Cb -0.10 -2.79 -0.20 0.00 -2.06 0.00 0.00 37.83 32.69 1v6f s LYS 103 CO 0.36 0.34 1.26 -1.00 0.10 0.00 0.00 175.35 176.41 1v6f h PRO 104 N 1.76 -0.01 -1.84 1.78 0.13 -1.99 -2.03 132.00 129.80 1v6f h PRO 104 Ca -0.48 0.00 0.54 0.00 -0.87 0.00 0.00 66.00 65.19 1v6f h PRO 104 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1v6f h PRO 104 CO 0.67 0.47 1.31 1.49 -0.23 0.00 0.00 178.00 181.71 1v6f h GLU 105 N -0.49 0.00 0.02 0.86 4.57 -2.01 0.20 114.58 117.72 1v6f h GLU 105 Ca -0.00 -0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.87 1v6f h GLU 105 Cb 0.48 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 1v6f h GLU 105 CO 0.00 0.00 -1.67 1.04 -1.18 0.00 0.00 179.01 177.20 1v6f n GLN 106 N -4.06 0.60 -0.51 1.92 1.13 -1.19 -4.04 117.38 111.23 1v6f n GLN 106 Ca 0.43 0.46 0.42 0.00 -1.94 0.00 0.00 57.00 56.36 1v6f n GLN 106 Cb 1.90 -1.68 0.72 0.00 0.11 0.00 0.00 30.24 31.29 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 -0.83 0.05 0.16 -1.09 1.08 0.12 0.33 115.11 114.93 1v6f h GLN 107 Ca -0.44 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.74 1v6f h GLN 107 Cb 1.48 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 1v6f h GLN 107 CO -0.22 0.04 -0.08 0.52 -0.95 0.00 0.00 178.83 178.14 1v6f h MET 108 N 0.05 -0.20 -0.65 1.46 2.86 -1.49 0.57 114.93 117.53 1v6f h MET 108 Ca 0.81 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 58.54 1v6f h MET 108 Cb 2.90 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 34.54 1v6f h MET 108 CO -0.20 0.22 0.31 1.98 1.06 0.00 0.00 176.91 180.28 1v6f h MET 109 N -0.75 0.54 -0.02 1.72 1.85 -0.56 -1.44 114.93 116.27 1v6f h MET 109 Ca -0.02 -0.03 -0.13 0.00 -0.61 0.00 0.00 59.70 58.91 1v6f h MET 109 Cb 0.52 -0.12 0.01 0.00 0.43 0.00 0.00 31.60 32.44 1v6f h MET 109 CO 0.04 0.36 -0.50 1.88 -0.40 0.00 0.00 176.91 178.28 1v6f h TYR 110 N 0.56 0.53 0.00 1.39 0.05 -1.21 -2.79 116.97 115.50 1v6f h TYR 110 Ca 0.31 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1v6f h TYR 110 Cb 0.31 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 1v6f h TYR 110 CO -0.12 1.08 -0.00 0.00 -1.05 0.00 0.00 178.16 178.07 1v6f h ALA 111 N 0.33 -0.50 0.10 3.88 0.00 0.50 0.46 119.26 124.03 1v6f h ALA 111 Ca -0.06 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1v6f h ALA 111 Cb 1.21 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 1v6f h ALA 111 CO 0.10 -0.50 -0.38 0.78 0.00 0.00 0.00 179.25 179.25 1v6f h GLY 112 N -0.01 -0.73 -0.09 0.00 0.00 -1.43 -1.94 103.07 98.87 1v6f h GLY 112 Ca 0.00 0.45 0.21 0.00 0.00 0.00 0.00 47.33 47.99 1v6f h GLY 112 CO -0.00 -0.26 0.48 1.76 0.00 0.00 0.00 176.54 178.52 1v6f h SER 113 N -0.60 0.50 -0.12 0.19 0.02 -1.42 -1.78 113.55 110.34 1v6f h SER 113 Ca 0.03 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1v6f h SER 113 Cb 0.63 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1v6f h SER 113 CO -0.23 0.09 -0.52 0.50 -1.14 0.00 0.00 176.83 175.52 1v6f h LYS 114 N 0.52 -0.56 -0.37 3.45 3.64 0.74 -2.66 116.57 121.33 1v6f h LYS 114 Ca 0.57 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 60.02 1v6f h LYS 114 Cb 1.03 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1v6f h LYS 114 CO -0.47 -0.37 -0.22 -1.71 -2.27 0.00 0.00 179.45 174.40 1v6f n ASN 115 N -5.44 -0.40 -0.28 4.20 2.85 -0.67 0.73 115.26 116.26 1v6f n ASN 115 Ca -0.06 1.04 0.04 0.00 -0.11 0.00 0.00 54.58 55.48 1v6f n ASN 115 Cb 0.38 -0.27 0.12 0.00 1.24 0.00 0.00 39.78 41.25 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 -0.43 1.20 3.64 -1.55 0.92 116.57 120.36 1v6f h LYS 116 Ca 0.06 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1v6f h LYS 116 Cb 0.15 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.88 1v6f h LYS 116 CO -0.35 0.01 -0.16 -0.07 -2.27 0.00 0.00 179.45 176.61 1v6f h LEU 117 N 0.02 -0.57 -1.93 5.20 3.38 0.60 0.47 115.31 122.49 1v6f h LEU 117 Ca 0.40 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1v6f h LEU 117 Cb 0.65 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1v6f h LEU 117 CO -0.79 -0.20 0.36 0.58 0.09 0.00 0.00 178.44 178.48 1v6f h VAL 118 N -0.07 0.01 0.03 1.22 2.07 0.10 0.19 116.25 119.80 1v6f h VAL 118 Ca 0.21 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.39 1v6f h VAL 118 Cb 0.39 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1v6f h VAL 118 CO -0.48 0.00 -2.07 0.00 0.02 0.00 0.00 177.57 175.04 1v6f n GLN 119 N -2.89 0.68 -0.10 1.57 1.13 0.15 -1.29 117.38 116.63 1v6f n GLN 119 Ca -0.02 0.20 -0.11 0.00 -1.94 0.00 0.00 57.00 55.12 1v6f n GLN 119 Cb 0.41 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 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 1.28 -0.01 5.09 2.02 0.11 -2.78 112.91 118.64 1v6f h THR 120 Ca -0.43 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1v6f h THR 120 Cb 2.05 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1v6f h THR 120 CO 0.04 0.36 -0.06 0.00 0.37 0.00 0.00 175.52 176.23 1v6f n ALA 121 N -2.41 2.70 -3.61 6.16 0.00 -0.37 -4.89 120.51 118.09 1v6f n ALA 121 Ca -0.03 -0.29 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1v6f n ALA 121 Cb 0.32 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.71 -5.79 -3.72 0.00 1.02 -1.05 -4.90 120.64 105.49 1v6f n GLU 122 Ca 0.18 0.71 -0.36 0.00 -0.02 0.00 0.00 57.16 57.68 1v6f n GLU 122 Cb 0.25 -5.50 -0.07 0.00 -0.02 0.00 0.00 31.44 26.10 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 -6.66 4.27 -0.20 -4.62 1.43 -0.41 -5.00 118.68 107.50 1v6f s LEU 123 Ca 0.09 0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 53.42 1v6f s LEU 123 Cb -0.04 -2.16 -0.20 0.00 0.03 0.00 0.00 46.19 43.82 1v6f s LEU 123 CO 0.78 0.22 0.14 0.35 0.23 0.00 0.00 176.35 178.07 1v6f n THR 124 N 3.11 1.61 -2.82 5.49 -2.24 -1.26 -4.75 114.28 113.42 1v6f n THR 124 Ca -0.16 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1v6f n THR 124 Cb 0.53 -1.88 -0.03 0.00 -2.10 0.00 0.00 70.33 66.85 1v6f n THR 124 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1v6f s LYS 125 N -2.46 4.31 -0.22 -0.78 3.01 -1.26 -5.03 119.74 117.31 1v6f s LYS 125 Ca -0.29 1.14 -0.01 0.00 -1.01 0.00 0.00 55.97 55.80 1v6f s LYS 125 Cb 0.08 -3.58 0.06 0.00 -1.01 0.00 0.00 37.83 33.38 1v6f s LYS 125 CO 0.63 -0.38 0.01 0.08 0.51 0.00 0.00 175.35 176.20 1v6f s VAL 126 N 2.32 0.95 0.08 3.17 1.01 -1.26 -1.56 120.40 125.10 1v6f s VAL 126 Ca 0.41 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1v6f s VAL 126 Cb -0.17 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1v6f s VAL 126 CO 0.12 -0.22 -0.12 -0.36 0.00 0.00 0.00 175.10 174.52 1v6f s PHE 127 N 1.65 2.70 -0.06 5.22 0.08 0.02 -4.96 117.98 122.63 1v6f s PHE 127 Ca -0.02 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 56.89 1v6f s PHE 127 Cb -0.18 -1.46 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 1v6f s PHE 127 CO -0.09 0.38 -0.11 -2.00 -0.10 0.00 0.00 175.22 173.29 1v6f s GLU 128 N -1.92 1.58 -0.14 0.44 2.12 -1.26 -1.21 118.70 118.32 1v6f s GLU 128 Ca 0.19 -0.38 -0.05 0.00 0.36 0.00 0.00 54.97 55.08 1v6f s GLU 128 Cb -0.11 -1.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.91 1v6f s GLU 128 CO 0.11 0.02 0.05 0.96 -0.54 0.00 0.00 175.26 175.86 1v6f s ILE 129 N 0.65 4.67 0.33 -3.70 -4.36 -1.09 -4.95 121.20 112.75 1v6f s ILE 129 Ca -0.14 -0.09 0.14 0.00 -0.26 0.00 0.00 60.65 60.30 1v6f s ILE 129 Cb -0.15 -3.05 0.09 0.00 1.25 0.00 0.00 42.46 40.60 1v6f s ILE 129 CO 0.03 0.53 1.79 0.08 0.24 0.00 0.00 174.94 177.61 1v6f h ARG 130 N 5.99 0.00 -3.29 0.37 0.11 -1.88 -1.67 114.38 114.00 1v6f h ARG 130 Ca -0.43 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.46 1v6f h ARG 130 Cb 1.19 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 32.00 1v6f h ARG 130 CO 0.63 0.41 -0.52 -0.80 0.10 0.00 0.00 179.97 179.79 1v6f s ASN 131 N -6.79 -0.18 0.42 0.08 -0.87 -1.25 0.29 114.94 106.63 1v6f s ASN 131 Ca -0.02 0.36 0.23 0.00 -1.57 0.00 0.00 52.86 51.86 1v6f s ASN 131 Cb 0.13 0.34 1.24 0.00 -0.02 0.00 0.00 41.25 42.94 1v6f s ASN 131 CO 0.72 -0.08 1.73 0.71 -2.57 0.00 0.00 177.10 177.61 1v6f h THR 132 N 5.04 0.39 -0.76 1.60 1.35 -1.88 0.56 112.91 119.21 1v6f h THR 132 Ca -0.28 -0.09 0.10 0.00 -0.55 0.00 0.00 66.41 65.58 1v6f h THR 132 Cb 1.19 0.10 -0.05 0.00 -1.73 0.00 0.00 68.15 67.66 1v6f h THR 132 CO 0.40 0.05 0.50 -0.33 -0.25 0.00 0.00 175.52 175.89 1v6f h GLU 133 N 0.27 0.66 -0.85 4.72 5.08 -1.96 -1.33 114.58 121.17 1v6f h GLU 133 Ca 0.66 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 59.07 1v6f h GLU 133 Cb 1.88 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.91 1v6f h GLU 133 CO -0.31 0.44 0.51 0.22 -1.00 0.00 0.00 179.01 178.86 1v6f h ASP 134 N 0.68 0.75 -0.68 1.42 1.82 -0.28 -3.39 116.42 116.73 1v6f h ASP 134 Ca 0.35 0.04 -0.33 0.00 -0.39 0.00 0.00 57.03 56.70 1v6f h ASP 134 Cb 0.46 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.33 1v6f h ASP 134 CO -0.13 0.44 1.28 -0.11 -1.61 0.00 0.00 179.24 179.11 1v6f n LEU 135 N -4.70 1.18 -4.02 2.28 0.00 -0.50 -4.70 117.00 106.54 1v6f n LEU 135 Ca 0.14 -0.65 -0.08 0.00 0.00 0.00 0.00 56.01 55.43 1v6f n LEU 135 Cb 0.26 -1.31 -0.09 0.00 0.00 0.00 0.00 43.42 42.28 1v6f n LEU 135 CO 0.28 -1.68 -0.27 0.42 0.00 0.00 0.00 177.39 176.14 1v6f s THR 136 N 10.44 0.19 0.14 1.96 -4.23 -1.25 -4.21 115.64 118.68 1v6f s THR 136 Ca 1.10 -1.62 -0.27 0.00 -1.18 0.00 0.00 61.69 59.72 1v6f s THR 136 Cb -0.49 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1v6f s THR 136 CO 0.31 -0.86 1.59 -0.08 -0.54 0.00 0.00 174.62 175.04 1v6f h GLU 137 N 3.00 -0.40 -0.95 3.99 4.81 -1.89 -0.15 114.58 122.99 1v6f h GLU 137 Ca -0.34 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.04 1v6f h GLU 137 Cb 1.16 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.55 1v6f h GLU 137 CO 0.62 -0.27 0.58 1.49 -0.73 0.00 0.00 179.01 180.70 1v6f h GLU 138 N -0.42 0.87 -0.69 1.92 4.81 -1.97 -1.10 114.58 118.00 1v6f h GLU 138 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1v6f h GLU 138 Cb 0.59 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1v6f h GLU 138 CO -0.43 0.57 0.41 2.35 -0.73 0.00 0.00 179.01 181.19 1v6f h TRP 139 N 0.89 0.91 0.00 0.92 7.01 -1.41 -2.60 115.95 121.67 1v6f h TRP 139 Ca 0.48 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.48 1v6f h TRP 139 Cb 0.52 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1v6f h TRP 139 CO -0.02 0.62 0.00 1.28 -2.79 0.00 0.00 178.44 177.53 1v6f n LEU 140 N -4.54 0.00 -0.44 0.65 4.77 -0.22 -1.71 117.00 115.50 1v6f n LEU 140 Ca 0.06 0.99 0.41 0.00 -0.03 0.00 0.00 56.01 57.43 1v6f n LEU 140 Cb 0.06 -0.49 0.76 0.00 -2.33 0.00 0.00 43.42 41.43 1v6f n LEU 140 CO 0.37 -0.49 1.38 0.03 -1.33 0.00 0.00 177.39 177.35 1v6f h ARG 141 N 0.00 0.00 -0.32 3.23 3.08 -1.54 0.51 114.38 119.34 1v6f h ARG 141 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1v6f h ARG 141 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1v6f h ARG 141 CO 0.00 0.00 0.12 1.49 -1.07 0.00 0.00 179.97 180.51 1v6f h GLU 142 N 0.00 0.49 -0.31 0.04 4.57 -0.92 0.21 114.58 118.66 1v6f h GLU 142 Ca 0.68 -0.10 -0.14 0.00 -1.18 0.00 0.00 59.36 58.62 1v6f h GLU 142 Cb 2.78 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 31.30 1v6f h GLU 142 CO -0.01 0.51 -0.37 0.87 -1.18 0.00 0.00 179.01 178.83 1v6f h LYS 143 N 0.36 0.79 -0.45 1.92 1.79 0.58 -2.87 116.57 118.70 1v6f h LYS 143 Ca 0.11 -0.44 -0.09 0.00 -2.18 0.00 0.00 60.65 58.05 1v6f h LYS 143 Cb 0.21 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1v6f h LYS 143 CO -0.01 1.07 -0.08 -0.07 -1.08 0.00 0.00 179.45 179.29 1v6f h LEU 144 N 0.56 0.77 -5.85 2.94 3.38 -1.25 -3.27 115.31 112.60 1v6f h LEU 144 Ca 0.04 -0.22 -0.66 0.00 0.09 0.00 0.00 57.88 57.14 1v6f h LEU 144 Cb 0.96 -0.21 -0.38 0.00 0.09 0.00 0.00 40.66 41.12 1v6f h LEU 144 CO 0.09 0.89 -0.16 0.61 0.09 0.00 0.00 178.44 179.95 1v6f n GLY 145 N -0.50 5.49 2.96 0.83 0.00 0.73 -4.94 105.19 109.78 1v6f n GLY 145 Ca 0.02 -2.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.00 1v6f n GLY 145 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v6f s SER 146 N -2.67 4.96 0.55 1.61 1.04 -1.09 -4.79 113.70 113.31 1v6f s SER 146 Ca 0.43 -3.57 0.00 0.00 0.48 0.00 0.00 55.95 53.29 1v6f s SER 146 Cb 0.21 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.62 1v6f s SER 146 CO -0.08 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1v6f n GLY 147 N 2.40 -4.68 3.56 7.32 0.00 -1.26 -4.62 105.19 107.92 1v6f n GLY 147 Ca 0.16 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.77 2.57 0.01 1.61 0.04 -1.26 -4.94 135.00 129.27 1v6f s PRO 148 Ca 0.00 -0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.68 1v6f s PRO 148 Cb 0.00 -4.89 -0.08 0.00 0.04 0.00 0.00 34.50 29.57 1v6f s PRO 148 CO 0.00 -3.21 1.83 0.45 0.04 0.00 0.00 177.00 176.10 1v6f s SER 149 N 8.06 6.53 -0.09 6.66 0.15 -1.26 -4.98 113.70 128.76 1v6f s SER 149 Ca 0.69 2.51 0.01 0.00 0.70 0.00 0.00 55.95 59.87 1v6f s SER 149 Cb -0.08 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 1v6f s SER 149 CO 0.05 -0.99 -0.12 -0.44 1.20 0.00 0.00 173.24 172.93 1v6f s SER 150 N 3.81 4.14 0.00 5.45 0.01 -1.26 -5.25 113.70 120.60 1v6f s SER 150 Ca 0.82 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1v6f s SER 150 Cb -0.39 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1v6f s SER 150 CO 0.36 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.89