#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxf n GLU -1 N 0.00 2.40 -3.74 1.96 2.13 -1.26 -4.77 120.64 117.37 2vxf n GLU -1 Ca 0.00 -3.22 -0.35 0.00 0.66 0.00 0.00 57.16 54.25 2vxf n GLU -1 Cb 0.00 -2.15 -0.05 0.00 0.27 0.00 0.00 31.44 29.50 2vxf n GLU -1 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2vxf s ASP 0 N -1.87 6.53 0.17 4.31 1.01 -1.26 -5.00 116.67 120.55 2vxf s ASP 0 Ca 0.57 0.61 -0.11 0.00 0.71 0.00 0.00 52.55 54.33 2vxf s ASP 0 Cb 0.47 -2.11 0.04 0.00 1.01 0.00 0.00 42.92 42.33 2vxf s ASP 0 CO 0.05 0.28 1.62 1.55 0.21 0.00 0.00 175.17 178.89 2vxf h PRO 1 N 4.24 0.98 -0.13 8.23 0.13 -1.93 0.36 132.00 143.87 2vxf h PRO 1 Ca -0.51 -0.31 -0.16 0.00 -0.87 0.00 0.00 66.00 64.15 2vxf h PRO 1 Cb 1.21 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2vxf h PRO 1 CO 0.64 0.98 -0.61 0.66 -0.23 0.00 0.00 178.00 179.44 2vxf h SER 2 N 0.86 0.51 0.54 1.44 4.64 -1.89 -2.97 113.55 116.67 2vxf h SER 2 Ca 0.16 -0.29 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 2vxf h SER 2 Cb 0.53 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2vxf h SER 2 CO 0.03 0.99 -0.49 1.23 -0.87 0.00 0.00 176.83 177.72 2vxf h GLY 3 N 1.20 0.00 1.00 -0.77 0.00 -1.90 -3.16 103.07 99.43 2vxf h GLY 3 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2vxf h GLY 3 CO 0.11 0.00 0.18 -1.33 0.00 0.00 0.00 176.54 175.50 2vxf h GLY 4 N 1.56 0.98 -6.77 4.60 0.00 -0.76 -3.42 103.07 99.26 2vxf h GLY 4 Ca -0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 47.33 46.46 2vxf h GLY 4 CO 0.06 0.54 -0.64 -1.59 0.00 0.00 0.00 176.54 174.92 2vxf s THR 5 N -5.41 -0.19 0.53 4.70 2.01 -1.19 -5.12 115.64 110.97 2vxf s THR 5 Ca -0.13 0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.98 2vxf s THR 5 Cb 0.13 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.32 2vxf s THR 5 CO 0.81 0.13 1.15 -2.84 -0.69 0.00 0.00 174.62 173.18 2vxf s PRO 6 N 1.96 3.40 0.35 4.92 0.02 -1.25 -4.71 135.00 139.68 2vxf s PRO 6 Ca -0.00 1.70 0.06 0.00 0.02 0.00 0.00 61.00 62.77 2vxf s PRO 6 Cb -0.12 -2.10 0.64 0.00 0.02 0.00 0.00 34.50 32.95 2vxf s PRO 6 CO -0.05 -0.83 1.88 1.88 -0.33 0.00 0.00 177.00 179.54 2vxf h TYR 7 N 1.37 0.46 -3.63 6.54 -1.99 -1.99 -3.43 116.97 114.30 2vxf h TYR 7 Ca -0.50 -0.05 -0.53 0.00 2.00 0.00 0.00 58.73 59.66 2vxf h TYR 7 Cb 1.26 -0.13 0.06 0.00 2.00 0.00 0.00 36.73 39.93 2vxf h TYR 7 CO 0.51 0.50 0.71 0.42 -0.00 0.00 0.00 178.16 180.30 2vxf s ILE 8 N -4.88 2.65 0.00 -2.88 1.01 -1.26 -2.26 121.20 113.57 2vxf s ILE 8 Ca -0.07 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2vxf s ILE 8 Cb 0.15 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2vxf s ILE 8 CO 0.76 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.42 2vxf n GLY 9 N 1.50 0.50 3.90 6.18 0.00 -0.49 -5.02 105.19 111.75 2vxf n GLY 9 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2vxf n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vxf s SER 10 N -2.82 6.34 -0.01 1.61 0.01 -0.96 -4.81 113.70 113.06 2vxf s SER 10 Ca 0.00 1.01 -0.22 0.00 1.31 0.00 0.00 55.95 58.04 2vxf s SER 10 Cb 0.00 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 2vxf s SER 10 CO 0.00 -0.54 0.66 -0.54 0.41 0.00 0.00 173.24 173.24 2vxf s LYS 11 N -4.49 4.40 0.04 12.44 1.02 -1.26 -1.95 119.74 129.93 2vxf s LYS 11 Ca 0.49 0.85 0.03 0.00 0.02 0.00 0.00 55.97 57.36 2vxf s LYS 11 Cb -0.10 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 2vxf s LYS 11 CO 0.41 0.27 -0.10 0.42 -0.92 0.00 0.00 175.35 175.44 2vxf s ILE 12 N 0.09 0.71 -0.11 2.17 1.01 -0.90 -2.28 121.20 121.89 2vxf s ILE 12 Ca 0.34 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 60.04 2vxf s ILE 12 Cb -0.19 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 2vxf s ILE 12 CO 0.19 -0.21 -0.18 -0.55 0.00 0.00 0.00 174.94 174.19 2vxf s SER 13 N -1.30 3.61 -0.05 3.58 0.15 -0.72 -2.64 113.70 116.33 2vxf s SER 13 Ca -0.05 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.24 2vxf s SER 13 Cb -0.08 -1.49 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 2vxf s SER 13 CO 0.01 0.17 -0.24 -0.22 1.20 0.00 0.00 173.24 174.15 2vxf s LEU 14 N 0.30 2.13 -0.19 3.45 2.96 -0.50 -2.27 118.68 124.56 2vxf s LEU 14 Ca -0.14 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 2vxf s LEU 14 Cb -0.17 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 2vxf s LEU 14 CO 0.07 0.27 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.66 2vxf s ILE 15 N -0.31 3.14 0.56 6.68 1.01 -0.73 -1.80 121.20 129.76 2vxf s ILE 15 Ca 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.09 2vxf s ILE 15 Cb -0.13 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 40.00 2vxf s ILE 15 CO 0.02 0.46 0.79 -0.44 0.00 0.00 0.00 174.94 175.78 2vxf s SER 16 N 1.16 5.18 0.43 3.58 0.01 -1.11 -1.81 113.70 121.14 2vxf s SER 16 Ca 0.02 -0.08 0.29 0.00 1.31 0.00 0.00 55.95 57.48 2vxf s SER 16 Cb -0.14 -0.75 1.53 0.00 0.21 0.00 0.00 66.02 66.87 2vxf s SER 16 CO -0.02 -1.21 1.88 0.11 0.41 0.00 0.00 173.24 174.41 2vxf h LYS 17 N 0.03 0.00 -0.49 12.44 1.57 -1.87 -1.52 116.57 126.73 2vxf h LYS 17 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2vxf h LYS 17 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2vxf h LYS 17 CO 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 2vxf n ALA 18 N -1.88 2.68 -2.39 3.86 0.00 -1.26 -4.88 120.51 116.63 2vxf n ALA 18 Ca -0.02 -0.61 -0.17 0.00 0.00 0.00 0.00 53.44 52.64 2vxf n ALA 18 Cb 0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 2vxf n ALA 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2vxf n GLU 19 N 0.32 -1.90 -4.17 0.00 -0.58 -0.57 -4.79 120.64 108.95 2vxf n GLU 19 Ca 0.10 0.84 -0.34 0.00 -0.42 0.00 0.00 57.16 57.35 2vxf n GLU 19 Cb 0.39 -5.47 -0.08 0.00 -0.57 0.00 0.00 31.44 25.71 2vxf n GLU 19 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2vxf s ILE 20 N -2.85 4.64 -0.24 -3.67 1.01 -1.26 -4.54 121.20 114.29 2vxf s ILE 20 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 2vxf s ILE 20 Cb 0.00 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2vxf s ILE 20 CO 0.00 0.45 0.10 -0.60 0.00 0.00 0.00 174.94 174.89 2vxf s ARG 21 N -1.42 3.80 -0.13 2.79 3.52 -1.26 -2.76 118.95 123.49 2vxf s ARG 21 Ca 0.19 -0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.37 2vxf s ARG 21 Cb -0.12 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 2vxf s ARG 21 CO 0.09 -0.08 -0.07 0.71 -0.81 0.00 0.00 175.30 175.14 2vxf s TYR 22 N 1.37 2.94 -0.03 5.12 2.02 -0.74 -2.29 117.35 125.74 2vxf s TYR 22 Ca 0.06 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 2vxf s TYR 22 Cb -0.15 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 2vxf s TYR 22 CO 0.05 -0.01 -0.18 -2.00 -1.57 0.00 0.00 175.55 171.84 2vxf s GLU 23 N 0.09 2.34 0.23 -0.62 2.12 -0.94 -1.41 118.70 120.51 2vxf s GLU 23 Ca -0.02 -0.79 -0.17 0.00 0.36 0.00 0.00 54.97 54.34 2vxf s GLU 23 Cb -0.14 -2.26 0.06 0.00 0.26 0.00 0.00 34.13 32.05 2vxf s GLU 23 CO 0.03 0.60 0.85 0.41 -0.54 0.00 0.00 175.26 176.61 2vxf n GLY 24 N 2.25 0.81 3.64 -1.50 0.00 -1.08 -1.58 105.19 107.73 2vxf n GLY 24 Ca -0.17 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 2vxf n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vxf s ILE 25 N -2.14 3.95 -0.32 -0.61 -1.09 -1.09 -2.13 121.20 117.78 2vxf s ILE 25 Ca 0.18 -0.55 -0.28 0.00 -2.23 0.00 0.00 60.65 57.77 2vxf s ILE 25 Cb -0.03 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 2vxf s ILE 25 CO 0.07 0.48 1.90 -0.22 -1.23 0.00 0.00 174.94 175.94 2vxf s LEU 26 N -1.22 3.48 -0.21 2.97 2.96 -0.82 -2.73 118.68 123.11 2vxf s LEU 26 Ca 0.16 1.38 -0.18 0.00 -0.22 0.00 0.00 54.13 55.27 2vxf s LEU 26 Cb -0.11 -3.44 -0.15 0.00 0.50 0.00 0.00 46.19 42.99 2vxf s LEU 26 CO 0.06 -1.82 0.04 0.00 -1.32 0.00 0.00 176.35 173.31 2vxf n TYR 27 N 10.82 0.81 -3.84 5.38 9.36 -1.05 -1.40 117.16 137.24 2vxf n TYR 27 Ca 0.25 0.35 -0.12 0.00 3.32 0.00 0.00 57.90 61.70 2vxf n TYR 27 Cb 0.47 -1.01 -0.11 0.00 -0.63 0.00 0.00 39.34 38.05 2vxf n TYR 27 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2vxf s THR 28 N -2.39 0.03 -0.16 2.97 -4.23 -1.10 -4.83 115.64 105.94 2vxf s THR 28 Ca -0.28 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 2vxf s THR 28 Cb 0.07 -0.30 -0.00 0.00 1.34 0.00 0.00 72.50 73.60 2vxf s THR 28 CO 0.51 -0.15 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.66 2vxf s ILE 29 N -0.49 2.68 -0.48 2.99 1.01 -1.26 -2.16 121.20 123.49 2vxf s ILE 29 Ca -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 2vxf s ILE 29 Cb -0.04 -2.13 0.13 0.00 0.01 0.00 0.00 42.46 40.42 2vxf s ILE 29 CO 0.01 0.51 0.29 -0.62 0.00 0.00 0.00 174.94 175.13 2vxf s ASP 30 N 0.85 5.32 0.19 3.58 2.15 -0.83 -4.95 116.67 122.98 2vxf s ASP 30 Ca -0.04 -2.24 -0.03 0.00 0.43 0.00 0.00 52.55 50.66 2vxf s ASP 30 Cb -0.15 -1.86 0.10 0.00 -0.30 0.00 0.00 42.92 40.70 2vxf s ASP 30 CO -0.01 -0.52 1.49 0.74 -0.17 0.00 0.00 175.17 176.71 2vxf h THR 31 N 6.04 1.32 -0.08 1.71 2.02 -1.98 -2.44 112.91 119.51 2vxf h THR 31 Ca -0.11 -1.82 0.02 0.00 0.77 0.00 0.00 66.41 65.28 2vxf h THR 31 Cb 1.03 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.22 2vxf h THR 31 CO 0.72 0.56 0.06 -0.33 0.37 0.00 0.00 175.52 176.90 2vxf h GLU 32 N 0.43 0.00 -0.13 6.66 5.08 -1.94 -2.07 114.58 122.61 2vxf h GLU 32 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2vxf h GLU 32 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2vxf h GLU 32 CO 0.11 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.21 2vxf n ASN 33 N -4.43 2.64 -3.89 1.42 3.02 -1.23 -4.99 115.26 107.81 2vxf n ASN 33 Ca -0.01 -2.43 -0.25 0.00 -0.03 0.00 0.00 54.58 51.86 2vxf n ASN 33 Cb 0.17 -0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2vxf n ASN 33 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2vxf n SER 34 N -0.47 -0.79 -4.11 6.41 2.88 -0.78 -4.88 113.62 111.88 2vxf n SER 34 Ca 0.10 -0.95 -0.17 0.00 -1.33 0.00 0.00 58.87 56.53 2vxf n SER 34 Cb 0.50 -3.36 -0.12 0.00 -0.75 0.00 0.00 64.21 60.47 2vxf n SER 34 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2vxf s THR 35 N -3.83 0.87 -0.02 2.46 -4.23 -0.93 -2.47 115.64 107.49 2vxf s THR 35 Ca 0.05 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 2vxf s THR 35 Cb -0.03 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 2vxf s THR 35 CO 0.87 -0.17 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.96 2vxf s VAL 36 N -1.07 1.00 -0.16 2.29 1.01 -0.91 -1.96 120.40 120.61 2vxf s VAL 36 Ca -0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 2vxf s VAL 36 Cb -0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2vxf s VAL 36 CO 0.01 0.29 -0.07 0.00 0.00 0.00 0.00 175.10 175.33 2vxf s ALA 37 N -0.15 2.83 -0.06 5.51 0.00 -0.92 -2.23 121.76 126.75 2vxf s ALA 37 Ca 0.02 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.13 2vxf s ALA 37 Cb -0.06 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2vxf s ALA 37 CO -0.00 0.12 -0.19 -0.51 0.00 0.00 0.00 175.76 175.18 2vxf s LEU 38 N 0.54 2.42 0.33 0.00 1.43 -0.97 -2.53 118.68 119.90 2vxf s LEU 38 Ca -0.05 -0.35 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 2vxf s LEU 38 Cb -0.15 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2vxf s LEU 38 CO 0.03 0.29 0.07 0.00 0.23 0.00 0.00 176.35 176.98 2vxf s ALA 39 N -0.42 3.34 -1.19 4.21 0.00 -1.10 -2.21 121.76 124.38 2vxf s ALA 39 Ca 0.04 -1.87 -0.13 0.00 0.00 0.00 0.00 51.96 50.01 2vxf s ALA 39 Cb -0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 2vxf s ALA 39 CO 0.02 0.07 0.75 1.63 0.00 0.00 0.00 175.76 178.23 2vxf n LYS 40 N -1.04 -2.29 -4.50 0.00 5.02 -0.97 -2.66 118.16 111.72 2vxf n LYS 40 Ca -0.04 0.53 -0.29 0.00 -2.02 0.00 0.00 58.31 56.50 2vxf n LYS 40 Cb 0.61 -4.59 -0.13 0.00 -0.02 0.00 0.00 35.03 30.90 2vxf n LYS 40 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2vxf s VAL 41 N -3.55 2.20 0.02 -0.18 0.11 -1.03 -4.21 120.40 113.76 2vxf s VAL 41 Ca 0.33 -1.66 0.00 0.00 -2.93 0.00 0.00 61.98 57.72 2vxf s VAL 41 Cb -0.10 -1.93 -0.02 0.00 -1.53 0.00 0.00 36.38 32.79 2vxf s VAL 41 CO 0.84 0.14 -0.04 0.00 -3.33 0.00 0.00 175.10 172.72 2vxf s ARG 42 N -1.86 0.35 -0.17 1.54 1.70 -0.62 -2.04 118.95 117.85 2vxf s ARG 42 Ca 0.13 -0.67 -0.11 0.00 -0.47 0.00 0.00 55.73 54.61 2vxf s ARG 42 Cb -0.10 0.07 -0.05 0.00 -0.57 0.00 0.00 34.95 34.30 2vxf s ARG 42 CO 0.05 -0.04 0.19 -1.54 -1.08 0.00 0.00 175.30 172.88 2vxf s SER 43 N -1.57 6.32 0.12 -2.89 1.04 -1.26 -2.22 113.70 113.23 2vxf s SER 43 Ca -0.14 0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.54 2vxf s SER 43 Cb -0.09 -2.12 -0.11 0.00 0.10 0.00 0.00 66.02 63.80 2vxf s SER 43 CO -0.01 0.18 1.38 -0.26 0.98 0.00 0.00 173.24 175.50 2vxf h PHE 44 N 6.46 1.07 0.00 5.02 0.04 -1.87 -3.49 116.94 124.18 2vxf h PHE 44 Ca -0.43 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 59.95 2vxf h PHE 44 Cb 1.16 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.12 2vxf h PHE 44 CO 0.61 1.22 0.00 0.41 -0.60 0.00 0.00 178.31 179.95 2vxf n GLY 45 N 0.43 -2.16 0.21 -1.45 0.00 -1.26 -5.00 105.19 95.96 2vxf n GLY 45 Ca -0.05 -1.19 0.02 0.00 0.00 0.00 0.00 46.02 44.80 2vxf n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vxf n THR 46 N -0.11 0.62 0.31 2.61 -2.24 -1.26 -4.34 114.28 109.88 2vxf n THR 46 Ca 0.00 -0.81 0.21 0.00 -2.27 0.00 0.00 64.05 61.18 2vxf n THR 46 Cb 0.00 0.72 1.10 0.00 -2.10 0.00 0.00 70.33 70.05 2vxf n THR 46 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2vxf h GLU 47 N 0.76 0.00 -0.29 -0.78 5.08 -1.94 -2.31 114.58 115.10 2vxf h GLU 47 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2vxf h GLU 47 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2vxf h GLU 47 CO 0.00 0.00 0.19 0.22 -1.00 0.00 0.00 179.01 178.42 2vxf h ASP 48 N 0.00 0.24 -2.59 1.42 1.82 -1.85 -3.35 116.42 112.11 2vxf h ASP 48 Ca 0.00 -0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.11 2vxf h ASP 48 Cb 0.05 -0.06 -0.38 0.00 0.68 0.00 0.00 39.33 39.62 2vxf h ASP 48 CO 0.00 0.16 -0.79 -0.13 -1.61 0.00 0.00 179.24 176.87 2vxf s ARG 49 N -5.28 0.38 0.37 0.28 0.52 -0.87 -5.10 118.95 109.25 2vxf s ARG 49 Ca -0.07 -0.86 -0.27 0.00 -0.52 0.00 0.00 55.73 54.01 2vxf s ARG 49 Cb 0.18 -1.14 -0.11 0.00 0.52 0.00 0.00 34.95 34.39 2vxf s ARG 49 CO 0.71 -1.11 1.32 -2.30 0.02 0.00 0.00 175.30 173.93 2vxf n PRO 50 N 4.67 2.16 -4.36 3.54 -0.02 -1.26 -5.01 135.00 134.73 2vxf n PRO 50 Ca 0.03 0.76 -0.18 0.00 -2.02 0.00 0.00 63.50 62.09 2vxf n PRO 50 Cb 0.40 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 2vxf n PRO 50 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2vxf s THR 51 N -1.13 1.22 -1.83 3.45 -4.23 -1.26 -5.02 115.64 106.84 2vxf s THR 51 Ca 0.57 -2.06 0.28 0.00 -1.18 0.00 0.00 61.69 59.29 2vxf s THR 51 Cb -0.53 -2.36 0.70 0.00 1.34 0.00 0.00 72.50 71.65 2vxf s THR 51 CO 0.61 -0.33 1.99 -0.67 -0.54 0.00 0.00 174.62 175.69 2vxf n ASP 52 N -0.46 0.00 -4.19 3.99 -0.08 -1.26 -4.51 116.55 110.03 2vxf n ASP 52 Ca -0.05 -0.64 -0.36 0.00 -1.51 0.00 0.00 54.79 52.22 2vxf n ASP 52 Cb 0.64 -0.09 -0.12 0.00 2.34 0.00 0.00 41.12 43.88 2vxf n ASP 52 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2vxf s ARG 53 N -2.17 2.38 0.22 -0.67 1.81 -1.26 -5.08 118.95 114.17 2vxf s ARG 53 Ca 0.37 -1.40 -0.30 0.00 -1.72 0.00 0.00 55.73 52.68 2vxf s ARG 53 Cb 0.19 -3.41 -0.10 0.00 -0.45 0.00 0.00 34.95 31.18 2vxf s ARG 53 CO 0.35 -0.78 1.42 -1.25 -0.68 0.00 0.00 175.30 174.37 2vxf s PRO 54 N 1.28 4.29 -0.18 3.54 0.04 -1.26 -5.00 135.00 137.71 2vxf s PRO 54 Ca -0.00 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 2vxf s PRO 54 Cb -0.21 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 2vxf s PRO 54 CO -0.01 -0.41 0.23 0.42 0.04 0.00 0.00 177.00 177.27 2vxf s ILE 55 N 0.25 5.35 0.66 0.56 -1.09 -1.26 -5.08 121.20 120.60 2vxf s ILE 55 Ca 0.60 0.40 -0.15 0.00 -2.23 0.00 0.00 60.65 59.27 2vxf s ILE 55 Cb -0.41 -3.57 -0.00 0.00 -1.58 0.00 0.00 42.46 36.91 2vxf s ILE 55 CO 0.40 0.41 1.12 0.00 -1.23 0.00 0.00 174.94 175.63 2vxf s ALA 56 N 0.44 2.45 0.40 9.38 0.00 -1.26 -4.96 121.76 128.21 2vxf s ALA 56 Ca 0.13 0.59 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 2vxf s ALA 56 Cb -0.12 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 2vxf s ALA 56 CO 0.01 -1.30 1.42 -2.14 0.00 0.00 0.00 175.76 173.75 2vxf s PRO 57 N -4.03 3.98 -0.13 0.00 0.02 -1.26 -5.02 135.00 128.56 2vxf s PRO 57 Ca 0.68 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.12 2vxf s PRO 57 Cb -0.21 -2.84 0.02 0.00 0.02 0.00 0.00 34.50 31.48 2vxf s PRO 57 CO 0.41 -0.58 -0.12 1.03 -0.33 0.00 0.00 177.00 177.41 2vxf s ARG 58 N -2.20 1.96 -0.26 5.54 0.52 -1.26 -5.00 118.95 118.25 2vxf s ARG 58 Ca 0.56 -0.43 0.10 0.00 -0.52 0.00 0.00 55.73 55.43 2vxf s ARG 58 Cb -0.43 -1.84 0.45 0.00 0.52 0.00 0.00 34.95 33.65 2vxf s ARG 58 CO 0.57 -0.21 1.31 -0.25 0.02 0.00 0.00 175.30 176.75 2vxf n ASP 59 N 4.71 2.40 -4.37 0.23 8.00 -1.26 -5.03 116.55 121.23 2vxf n ASP 59 Ca -0.16 -3.85 -0.19 0.00 0.71 0.00 0.00 54.79 51.30 2vxf n ASP 59 Cb 0.50 -0.55 -0.10 0.00 -0.02 0.00 0.00 41.12 40.95 2vxf n ASP 59 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2vxf s GLU 60 N -3.30 1.41 0.18 -1.24 2.02 -1.26 -5.16 118.70 111.35 2vxf s GLU 60 Ca 0.42 -1.68 0.07 0.00 0.02 0.00 0.00 54.97 53.80 2vxf s GLU 60 Cb 0.39 -1.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.56 2vxf s GLU 60 CO -0.04 0.07 0.02 0.99 0.02 0.00 0.00 175.26 176.32 2vxf s THR 61 N -3.09 3.81 -0.21 3.63 2.01 -1.26 -4.91 115.64 115.62 2vxf s THR 61 Ca 0.26 -1.40 -0.10 0.00 0.31 0.00 0.00 61.69 60.76 2vxf s THR 61 Cb 0.03 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2vxf s THR 61 CO 0.09 -0.12 0.13 -0.36 -0.69 0.00 0.00 174.62 173.67 2vxf s PHE 62 N -1.76 3.36 0.13 4.92 0.40 -0.87 -4.99 117.98 119.17 2vxf s PHE 62 Ca 0.28 0.26 -0.13 0.00 -0.60 0.00 0.00 56.93 56.74 2vxf s PHE 62 Cb -0.09 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 2vxf s PHE 62 CO 0.19 0.19 1.50 0.93 0.70 0.00 0.00 175.22 178.74 2vxf h GLU 63 N 6.99 0.81 -2.64 0.44 3.07 -1.94 -2.71 114.58 118.59 2vxf h GLU 63 Ca -0.40 -0.35 -0.13 0.00 -0.50 0.00 0.00 59.36 57.98 2vxf h GLU 63 Cb 1.16 -0.02 -0.29 0.00 -0.84 0.00 0.00 28.75 28.76 2vxf h GLU 63 CO 0.72 0.98 -0.40 -0.47 -1.40 0.00 0.00 179.01 178.43 2vxf s TYR 64 N -4.63 -0.65 0.05 4.33 6.14 -1.26 -2.28 117.35 119.04 2vxf s TYR 64 Ca -0.12 1.32 0.05 0.00 0.64 0.00 0.00 57.07 58.95 2vxf s TYR 64 Cb 0.10 0.20 -0.02 0.00 0.42 0.00 0.00 41.96 42.66 2vxf s TYR 64 CO 0.83 -0.42 -0.14 0.42 0.64 0.00 0.00 175.55 176.89 2vxf s ILE 65 N 2.32 1.06 -0.10 3.14 1.01 -0.94 -5.03 121.20 122.66 2vxf s ILE 65 Ca -0.03 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.52 2vxf s ILE 65 Cb -0.11 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2vxf s ILE 65 CO -0.11 -0.10 -0.06 -0.63 0.00 0.00 0.00 174.94 174.04 2vxf s ILE 66 N -1.01 3.79 -0.01 2.92 1.01 -1.26 -2.29 121.20 124.35 2vxf s ILE 66 Ca -0.00 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2vxf s ILE 66 Cb -0.09 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 2vxf s ILE 66 CO 0.02 0.57 -0.16 -0.36 0.00 0.00 0.00 174.94 175.00 2vxf s PHE 67 N -0.43 1.44 0.14 3.97 0.08 -0.94 -5.04 117.98 117.19 2vxf s PHE 67 Ca 0.07 -0.28 0.05 0.00 0.12 0.00 0.00 56.93 56.89 2vxf s PHE 67 Cb -0.12 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.37 2vxf s PHE 67 CO 0.02 -0.01 0.05 1.03 -0.10 0.00 0.00 175.22 176.21 2vxf s ARG 68 N -0.47 2.64 0.58 0.44 0.52 -1.26 -2.14 118.95 119.27 2vxf s ARG 68 Ca 0.06 -0.91 0.28 0.00 -0.52 0.00 0.00 55.73 54.64 2vxf s ARG 68 Cb -0.06 -2.54 1.61 0.00 0.52 0.00 0.00 34.95 34.48 2vxf s ARG 68 CO -0.00 0.50 2.07 0.78 0.02 0.00 0.00 175.30 178.67 2vxf h GLY 69 N 2.90 0.00 0.84 -3.53 0.00 -1.82 -2.11 103.07 99.35 2vxf h GLY 69 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2vxf h GLY 69 CO 0.61 0.00 -0.02 1.76 0.00 0.00 0.00 176.54 178.89 2vxf h SER 70 N 0.00 0.43 0.88 0.19 0.02 -1.94 -3.23 113.55 109.89 2vxf h SER 70 Ca 0.11 -0.33 -0.23 0.00 -0.84 0.00 0.00 61.79 60.50 2vxf h SER 70 Cb 0.59 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2vxf h SER 70 CO -0.00 0.65 -1.15 -2.24 -1.14 0.00 0.00 176.83 172.95 2vxf h ASP 71 N 0.19 0.03 -3.83 3.07 3.04 -1.83 -3.45 116.42 113.64 2vxf h ASP 71 Ca 0.07 -0.03 -0.52 0.00 -3.24 0.00 0.00 57.03 53.31 2vxf h ASP 71 Cb 0.44 -0.01 0.05 0.00 -1.04 0.00 0.00 39.33 38.77 2vxf h ASP 71 CO 0.02 1.02 0.60 -0.63 -2.04 0.00 0.00 179.24 178.21 2vxf s ILE 72 N -2.69 2.92 -0.18 4.15 1.01 -0.85 -2.91 121.20 122.65 2vxf s ILE 72 Ca -0.00 0.91 -0.02 0.00 0.00 0.00 0.00 60.65 61.53 2vxf s ILE 72 Cb 0.09 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 2vxf s ILE 72 CO 0.82 0.21 -0.18 1.17 0.00 0.00 0.00 174.94 176.96 2vxf n LYS 73 N 1.01 0.41 -4.07 2.79 4.81 -0.75 -4.88 118.16 117.49 2vxf n LYS 73 Ca 0.00 0.12 -0.14 0.00 -0.87 0.00 0.00 58.31 57.42 2vxf n LYS 73 Cb 0.42 -1.27 -0.14 0.00 0.02 0.00 0.00 35.03 34.06 2vxf n LYS 73 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2vxf s ASP 74 N -6.01 0.48 -0.07 3.14 -1.08 -1.09 -5.04 116.67 106.99 2vxf s ASP 74 Ca -0.24 -0.15 0.01 0.00 -0.52 0.00 0.00 52.55 51.65 2vxf s ASP 74 Cb 0.07 -0.03 0.02 0.00 -1.46 0.00 0.00 42.92 41.52 2vxf s ASP 74 CO 0.37 -0.01 -0.09 -0.22 0.52 0.00 0.00 175.17 175.74 2vxf s LEU 75 N -0.35 1.47 -0.03 -1.34 0.20 -1.26 -1.77 118.68 115.59 2vxf s LEU 75 Ca -0.01 -0.26 0.04 0.00 0.69 0.00 0.00 54.13 54.58 2vxf s LEU 75 Cb -0.03 -0.75 -0.00 0.00 -0.43 0.00 0.00 46.19 44.98 2vxf s LEU 75 CO -0.00 -0.02 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.02 2vxf s THR 76 N 0.96 1.10 -0.01 3.68 2.01 -0.96 -5.05 115.64 117.37 2vxf s THR 76 Ca -0.09 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2vxf s THR 76 Cb -0.15 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 2vxf s THR 76 CO 0.00 0.33 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.53 2vxf s VAL 77 N 0.04 3.87 0.00 3.82 1.01 -1.26 -1.75 120.40 126.13 2vxf s VAL 77 Ca -0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2vxf s VAL 77 Cb -0.09 -2.69 -0.30 0.00 0.00 0.00 0.00 36.38 33.30 2vxf s VAL 77 CO 0.01 0.41 0.87 0.00 0.00 0.00 0.00 175.10 176.39 2vxf s GLU 79 N -2.61 4.04 0.65 0.00 2.56 -1.26 -5.03 118.70 117.05 2vxf s GLU 79 Ca -0.10 0.81 -0.18 0.00 0.00 0.00 0.00 54.97 55.51 2vxf s GLU 79 Cb 0.06 -3.71 -0.01 0.00 2.00 0.00 0.00 34.13 32.47 2vxf s GLU 79 CO 0.87 -0.71 1.25 -2.14 -0.56 0.00 0.00 175.26 173.97 2vxf s PRO 80 N 3.14 2.55 0.69 4.30 0.02 -1.26 -4.98 135.00 139.47 2vxf s PRO 80 Ca 0.37 1.94 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 2vxf s PRO 80 Cb -0.14 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.53 2vxf s PRO 80 CO 0.12 -1.56 1.10 -1.25 -0.33 0.00 0.00 177.00 175.08 2vxf s PRO 81 N -3.48 2.69 0.26 5.54 0.04 -1.26 -5.05 135.00 133.73 2vxf s PRO 81 Ca 0.80 1.29 0.01 0.00 0.04 0.00 0.00 61.00 63.14 2vxf s PRO 81 Cb -0.34 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2vxf s PRO 81 CO 0.39 -1.32 0.43 0.15 0.04 0.00 0.00 177.00 176.69 2vxf s LYS 82 N -4.37 3.48 0.31 4.56 3.01 -1.26 -5.06 119.74 120.41 2vxf s LYS 82 Ca 0.65 -0.47 -0.29 0.00 -1.01 0.00 0.00 55.97 54.85 2vxf s LYS 82 Cb -0.19 -2.80 -0.10 0.00 -1.01 0.00 0.00 37.83 33.73 2vxf s LYS 82 CO 0.46 0.33 1.32 -1.25 0.51 0.00 0.00 175.35 176.72 2vxf s PRO 83 N -3.82 4.35 0.19 -1.68 0.04 -1.26 -5.04 135.00 127.78 2vxf s PRO 83 Ca 0.38 2.21 0.08 0.00 0.04 0.00 0.00 61.00 63.70 2vxf s PRO 83 Cb -0.10 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 2vxf s PRO 83 CO 0.31 -0.21 -0.15 0.96 0.04 0.00 0.00 177.00 177.95 2vxf s ILE 84 N -0.92 1.73 0.00 0.56 -4.36 -1.26 -4.86 121.20 112.09 2vxf s ILE 84 Ca 0.51 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 2vxf s ILE 84 Cb -0.40 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2vxf s ILE 84 CO 0.50 -0.53 0.00 0.80 0.24 0.00 0.00 174.94 175.96