#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxf s GLU -1 N 0.00 3.48 0.21 1.96 2.12 -1.26 -5.10 118.70 120.12 2vxf s GLU -1 Ca 0.00 -0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.02 2vxf s GLU -1 Cb 0.00 -3.09 -0.07 0.00 0.26 0.00 0.00 34.13 31.23 2vxf s GLU -1 CO 0.00 0.67 0.50 -0.51 -0.54 0.00 0.00 175.26 175.38 2vxf s ASP 0 N -1.82 6.59 0.26 -1.70 1.11 -1.26 -4.99 116.67 114.85 2vxf s ASP 0 Ca 0.27 0.83 -0.01 0.00 0.18 0.00 0.00 52.55 53.82 2vxf s ASP 0 Cb -0.13 -2.19 0.35 0.00 1.07 0.00 0.00 42.92 42.02 2vxf s ASP 0 CO 0.17 -0.04 1.74 1.55 1.18 0.00 0.00 175.17 179.77 2vxf h PRO 1 N 2.60 0.69 -0.20 8.23 0.13 -1.99 -0.97 132.00 140.50 2vxf h PRO 1 Ca -0.47 -0.22 -0.15 0.00 -0.87 0.00 0.00 66.00 64.30 2vxf h PRO 1 Cb 1.17 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2vxf h PRO 1 CO 0.70 0.78 -0.49 0.66 -0.23 0.00 0.00 178.00 179.41 2vxf h SER 2 N 0.63 0.58 0.18 1.44 4.64 -1.94 -2.72 113.55 116.36 2vxf h SER 2 Ca 0.11 -0.29 -0.17 0.00 -0.47 0.00 0.00 61.79 60.98 2vxf h SER 2 Cb 0.54 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2vxf h SER 2 CO 0.03 0.97 -0.64 1.23 -0.87 0.00 0.00 176.83 177.56 2vxf h GLY 3 N 1.09 0.48 1.71 -0.77 0.00 -1.88 -3.10 103.07 100.60 2vxf h GLY 3 Ca 0.02 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 2vxf h GLY 3 CO 0.09 0.55 -0.24 -1.33 0.00 0.00 0.00 176.54 175.62 2vxf h GLY 4 N 1.21 0.37 -2.61 4.60 0.00 -1.07 -3.44 103.07 102.13 2vxf h GLY 4 Ca -0.01 -0.28 -0.51 0.00 0.00 0.00 0.00 47.33 46.53 2vxf h GLY 4 CO 0.11 0.26 0.49 -1.59 0.00 0.00 0.00 176.54 175.81 2vxf s THR 5 N -4.50 3.02 0.60 4.70 2.01 -1.04 -4.98 115.64 115.45 2vxf s THR 5 Ca -0.06 0.74 -0.19 0.00 0.31 0.00 0.00 61.69 62.49 2vxf s THR 5 Cb 0.14 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 2vxf s THR 5 CO 0.77 -0.03 1.26 -2.84 -0.69 0.00 0.00 174.62 173.08 2vxf s PRO 6 N -2.82 2.91 0.31 4.92 0.02 -1.26 -4.92 135.00 134.15 2vxf s PRO 6 Ca 0.66 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.66 2vxf s PRO 6 Cb -0.29 -1.98 0.49 0.00 0.02 0.00 0.00 34.50 32.74 2vxf s PRO 6 CO 0.34 -1.30 1.89 -0.92 -0.33 0.00 0.00 177.00 176.69 2vxf h TYR 7 N 0.94 0.81 -3.67 6.54 3.20 -1.93 -3.43 116.97 119.43 2vxf h TYR 7 Ca -0.51 -0.04 -0.53 0.00 3.14 0.00 0.00 58.73 60.79 2vxf h TYR 7 Cb 1.31 -0.25 0.07 0.00 1.54 0.00 0.00 36.73 39.40 2vxf h TYR 7 CO 0.45 0.63 0.72 0.42 -1.64 0.00 0.00 178.16 178.74 2vxf s ILE 8 N -5.36 2.54 0.00 1.81 1.01 -1.26 -2.13 121.20 117.81 2vxf s ILE 8 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2vxf s ILE 8 Cb 0.16 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2vxf s ILE 8 CO 0.79 0.10 0.00 0.61 0.00 0.00 0.00 174.94 176.44 2vxf n GLY 9 N 1.35 0.56 3.90 6.18 0.00 -0.50 -5.01 105.19 111.66 2vxf n GLY 9 Ca 0.03 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 -2.85 6.25 -0.04 1.61 0.01 -0.91 -4.79 113.70 112.99 2vxf s SER 10 Ca 0.00 1.03 -0.23 0.00 1.31 0.00 0.00 55.95 58.05 2vxf s SER 10 Cb 0.00 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2vxf s SER 10 CO 0.00 -0.64 0.70 -0.54 0.41 0.00 0.00 173.24 173.17 2vxf s LYS 11 N -4.83 4.43 0.03 12.44 1.02 -1.26 -2.03 119.74 129.53 2vxf s LYS 11 Ca 0.49 0.90 0.04 0.00 0.02 0.00 0.00 55.97 57.41 2vxf s LYS 11 Cb -0.10 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2vxf s LYS 11 CO 0.47 0.14 -0.11 0.42 -0.92 0.00 0.00 175.35 175.35 2vxf s ILE 12 N 0.51 0.83 -0.14 2.17 1.01 -0.91 -2.10 121.20 122.57 2vxf s ILE 12 Ca 0.37 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.21 2vxf s ILE 12 Cb -0.18 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 2vxf s ILE 12 CO 0.19 -0.03 -0.15 -0.55 0.00 0.00 0.00 174.94 174.40 2vxf s SER 13 N -0.95 3.76 -0.09 3.58 0.15 -0.80 -2.60 113.70 116.74 2vxf s SER 13 Ca -0.01 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.25 2vxf s SER 13 Cb -0.07 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 2vxf s SER 13 CO 0.01 0.12 -0.17 -0.22 1.20 0.00 0.00 173.24 174.17 2vxf s LEU 14 N 0.61 2.50 -0.25 3.45 2.96 -0.45 -2.17 118.68 125.32 2vxf s LEU 14 Ca -0.08 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 2vxf s LEU 14 Cb -0.16 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 2vxf s LEU 14 CO 0.03 0.22 0.06 -0.63 -1.32 0.00 0.00 176.35 174.71 2vxf s ILE 15 N -0.00 4.11 0.65 6.68 1.01 -0.71 -1.84 121.20 131.10 2vxf s ILE 15 Ca -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 2vxf s ILE 15 Cb -0.15 -2.95 0.07 0.00 0.01 0.00 0.00 42.46 39.45 2vxf s ILE 15 CO 0.05 0.31 0.92 -0.44 0.00 0.00 0.00 174.94 175.77 2vxf s SER 16 N 1.58 4.82 0.56 3.58 0.01 -1.07 -1.28 113.70 121.90 2vxf s SER 16 Ca 0.06 0.02 0.38 0.00 1.31 0.00 0.00 55.95 57.72 2vxf s SER 16 Cb -0.15 -0.68 2.04 0.00 0.21 0.00 0.00 66.02 67.43 2vxf s SER 16 CO 0.02 -1.51 2.15 0.50 0.41 0.00 0.00 173.24 174.81 2vxf h LYS 17 N -0.33 0.00 -0.62 12.44 1.63 -1.75 -1.53 116.57 126.42 2vxf h LYS 17 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 2vxf h LYS 17 Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2vxf h LYS 17 CO 0.51 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.51 2vxf n ALA 18 N -1.99 2.89 -2.41 5.00 0.00 -1.26 -4.89 120.51 117.86 2vxf n ALA 18 Ca -0.02 -0.85 -0.17 0.00 0.00 0.00 0.00 53.44 52.40 2vxf n ALA 18 Cb 0.07 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 0.44 -1.91 -4.12 0.00 1.02 -0.57 -4.44 120.64 111.06 2vxf n GLU 19 Ca 0.14 0.84 -0.34 0.00 -0.02 0.00 0.00 57.16 57.77 2vxf n GLU 19 Cb 0.56 -5.48 -0.07 0.00 -0.02 0.00 0.00 31.44 26.43 2vxf n GLU 19 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2vxf s ILE 20 N -2.86 4.79 -0.27 -3.67 1.01 -1.26 -4.53 121.20 114.41 2vxf s ILE 20 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 2vxf s ILE 20 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2vxf s ILE 20 CO 0.00 0.45 0.14 -0.60 0.00 0.00 0.00 174.94 174.94 2vxf s ARG 21 N -1.43 3.76 -0.14 2.79 3.52 -1.26 -2.59 118.95 123.60 2vxf s ARG 21 Ca 0.19 -0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 2vxf s ARG 21 Cb -0.12 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 2vxf s ARG 21 CO 0.10 -0.22 -0.06 0.71 -0.81 0.00 0.00 175.30 175.02 2vxf s TYR 22 N 1.69 2.97 -0.03 5.12 2.02 -0.77 -2.22 117.35 126.14 2vxf s TYR 22 Ca 0.06 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.46 2vxf s TYR 22 Cb -0.16 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 2vxf s TYR 22 CO 0.08 -0.05 -0.18 -2.00 -1.57 0.00 0.00 175.55 171.82 2vxf s GLU 23 N 0.29 2.34 0.21 -0.62 2.12 -0.94 -1.34 118.70 120.75 2vxf s GLU 23 Ca -0.05 -0.80 -0.18 0.00 0.36 0.00 0.00 54.97 54.31 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 0.04 0.60 0.87 0.41 -0.54 0.00 0.00 175.26 176.64 2vxf n GLY 24 N 2.24 0.77 3.63 -1.50 0.00 -1.07 -1.52 105.19 107.75 2vxf n GLY 24 Ca -0.17 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.13 4.11 -0.28 -0.61 -1.09 -1.10 -2.13 121.20 117.96 2vxf s ILE 25 Ca 0.19 -0.32 -0.28 0.00 -2.23 0.00 0.00 60.65 58.01 2vxf s ILE 25 Cb -0.03 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 2vxf s ILE 25 CO 0.06 0.59 2.12 -0.22 -1.23 0.00 0.00 174.94 176.26 2vxf s LEU 26 N -0.71 3.45 -0.21 2.97 2.96 -0.86 -2.80 118.68 123.48 2vxf s LEU 26 Ca 0.11 1.64 -0.18 0.00 -0.22 0.00 0.00 54.13 55.47 2vxf s LEU 26 Cb -0.12 -3.41 -0.15 0.00 0.50 0.00 0.00 46.19 43.02 2vxf s LEU 26 CO 0.02 -1.99 0.05 0.00 -1.32 0.00 0.00 176.35 173.12 2vxf n TYR 27 N 11.72 0.84 -3.85 5.38 9.36 -1.03 -1.41 117.16 138.17 2vxf n TYR 27 Ca 0.28 0.36 -0.12 0.00 3.32 0.00 0.00 57.90 61.75 2vxf n TYR 27 Cb 0.46 -1.01 -0.12 0.00 -0.63 0.00 0.00 39.34 38.04 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 -2.38 0.03 -0.16 2.97 -4.23 -1.10 -4.83 115.64 105.94 2vxf s THR 28 Ca -0.28 -0.26 -0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2vxf s THR 28 Cb 0.06 -0.27 -0.00 0.00 1.34 0.00 0.00 72.50 73.63 2vxf s THR 28 CO 0.51 -0.14 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.68 2vxf s ILE 29 N -0.45 2.79 -0.51 2.99 1.01 -1.26 -2.18 121.20 123.60 2vxf s ILE 29 Ca -0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 2vxf s ILE 29 Cb -0.03 -2.19 0.13 0.00 0.01 0.00 0.00 42.46 40.38 2vxf s ILE 29 CO 0.01 0.51 0.32 -0.62 0.00 0.00 0.00 174.94 175.15 2vxf s ASP 30 N 0.81 5.32 0.18 3.58 3.68 -0.85 -4.95 116.67 124.43 2vxf s ASP 30 Ca -0.05 -2.35 -0.05 0.00 2.13 0.00 0.00 52.55 52.23 2vxf s ASP 30 Cb -0.15 -1.86 0.07 0.00 -1.45 0.00 0.00 42.92 39.52 2vxf s ASP 30 CO 0.00 -0.49 1.48 0.74 0.13 0.00 0.00 175.17 177.03 2vxf h THR 31 N 5.89 1.31 -0.08 1.71 2.02 -1.98 -2.45 112.91 119.33 2vxf h THR 31 Ca -0.09 -1.78 0.02 0.00 0.77 0.00 0.00 66.41 65.34 2vxf h THR 31 Cb 1.01 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.15 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 0.49 0.00 -0.13 6.66 5.08 -1.94 -2.03 114.58 122.71 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 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 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 -4.37 2.62 -3.92 1.42 3.02 -1.23 -4.99 115.26 107.81 2vxf n ASN 33 Ca -0.01 -2.42 -0.26 0.00 -0.03 0.00 0.00 54.58 51.86 2vxf n ASN 33 Cb 0.17 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 2vxf n ASN 33 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2vxf n SER 34 N -0.47 -1.15 -4.13 6.41 3.41 -0.77 -4.89 113.62 112.03 2vxf n SER 34 Ca 0.10 -0.95 -0.17 0.00 -0.26 0.00 0.00 58.87 57.60 2vxf n SER 34 Cb 0.49 -3.32 -0.12 0.00 -0.26 0.00 0.00 64.21 61.01 2vxf n SER 34 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2vxf s THR 35 N -3.78 0.92 -0.02 6.66 -4.23 -0.93 -2.44 115.64 111.82 2vxf s THR 35 Ca 0.13 -1.18 0.04 0.00 -1.18 0.00 0.00 61.69 59.49 2vxf s THR 35 Cb -0.07 -0.91 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 2vxf s THR 35 CO 0.87 -0.25 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.89 2vxf s VAL 36 N -1.24 1.01 -0.15 2.29 1.01 -0.92 -2.01 120.40 120.38 2vxf s VAL 36 Ca -0.04 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2vxf s VAL 36 Cb -0.10 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 2vxf s VAL 36 CO 0.02 0.29 -0.08 0.00 0.00 0.00 0.00 175.10 175.33 2vxf s ALA 37 N -0.18 2.81 -0.05 5.51 0.00 -0.93 -2.28 121.76 126.65 2vxf s ALA 37 Ca 0.03 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.13 2vxf s ALA 37 Cb -0.06 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 2vxf s ALA 37 CO -0.00 0.13 -0.19 -0.51 0.00 0.00 0.00 175.76 175.19 2vxf s LEU 38 N 0.53 2.42 0.33 0.00 1.43 -0.98 -2.47 118.68 119.94 2vxf s LEU 38 Ca -0.06 -0.35 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 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 0.30 0.07 0.00 0.23 0.00 0.00 176.35 176.98 2vxf s ALA 39 N -0.44 3.34 -1.21 4.21 0.00 -1.12 -2.25 121.76 124.29 2vxf s ALA 39 Ca 0.05 -1.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.06 2vxf s ALA 39 Cb -0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2vxf s ALA 39 CO 0.01 0.09 0.73 1.63 0.00 0.00 0.00 175.76 178.22 2vxf n LYS 40 N -1.04 -2.56 -4.57 0.00 5.02 -0.96 -2.73 118.16 111.33 2vxf n LYS 40 Ca -0.04 0.54 -0.30 0.00 -2.02 0.00 0.00 58.31 56.48 2vxf n LYS 40 Cb 0.61 -4.64 -0.13 0.00 -0.02 0.00 0.00 35.03 30.86 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 -3.58 2.71 0.05 -0.18 0.11 -1.02 -4.27 120.40 114.21 2vxf s VAL 41 Ca 0.29 -1.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.04 2vxf s VAL 41 Cb -0.09 -2.16 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 2vxf s VAL 41 CO 0.84 0.26 -0.09 -0.60 -3.33 0.00 0.00 175.10 172.18 2vxf s ARG 42 N -1.64 0.60 -0.17 1.54 3.52 -0.57 -2.01 118.95 120.21 2vxf s ARG 42 Ca 0.15 -0.82 -0.10 0.00 -0.13 0.00 0.00 55.73 54.83 2vxf s ARG 42 Cb -0.10 -0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 32.84 2vxf s ARG 42 CO 0.06 0.07 0.18 -1.54 -0.81 0.00 0.00 175.30 173.26 2vxf s SER 43 N -1.66 6.32 0.12 -2.12 1.04 -1.26 -2.22 113.70 113.91 2vxf s SER 43 Ca -0.08 0.36 -0.12 0.00 0.48 0.00 0.00 55.95 56.60 2vxf s SER 43 Cb -0.09 -2.11 -0.11 0.00 0.10 0.00 0.00 66.02 63.81 2vxf s SER 43 CO 0.01 0.22 1.38 -0.26 0.98 0.00 0.00 173.24 175.56 2vxf h PHE 44 N 6.25 1.09 0.00 5.02 0.04 -1.86 -3.46 116.94 124.03 2vxf h PHE 44 Ca -0.44 -0.41 0.00 0.00 2.80 0.00 0.00 57.97 59.92 2vxf h PHE 44 Cb 1.17 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.12 2vxf h PHE 44 CO 0.63 1.24 0.00 0.41 -0.60 0.00 0.00 178.31 179.99 2vxf n GLY 45 N 0.44 0.93 0.12 -1.45 0.00 -1.26 -4.89 105.19 99.07 2vxf n GLY 45 Ca -0.05 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.60 0.63 0.25 2.61 -2.24 -1.26 -4.30 114.28 109.36 2vxf n THR 46 Ca 0.00 -0.81 0.18 0.00 -2.27 0.00 0.00 64.05 61.14 2vxf n THR 46 Cb 0.00 0.71 0.89 0.00 -2.10 0.00 0.00 70.33 69.83 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 0.44 0.00 -0.47 -0.78 5.08 -1.95 -0.99 114.58 115.91 2vxf h GLU 47 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2vxf h GLU 47 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2vxf h GLU 47 CO 0.00 0.00 0.23 0.22 -1.00 0.00 0.00 179.01 178.46 2vxf h ASP 48 N 0.00 0.59 -2.32 1.42 1.82 -1.85 -3.37 116.42 112.70 2vxf h ASP 48 Ca 0.06 -0.05 -0.44 0.00 -0.39 0.00 0.00 57.03 56.21 2vxf h ASP 48 Cb 0.43 -0.15 -0.35 0.00 0.68 0.00 0.00 39.33 39.94 2vxf h ASP 48 CO -0.00 0.50 -0.73 -0.13 -1.61 0.00 0.00 179.24 177.27 2vxf s ARG 49 N -5.39 0.43 0.35 0.28 1.81 -0.38 -5.04 118.95 111.02 2vxf s ARG 49 Ca -0.09 -0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 52.95 2vxf s ARG 49 Cb 0.17 -0.92 -0.12 0.00 -0.45 0.00 0.00 34.95 33.63 2vxf s ARG 49 CO 0.76 -1.12 1.37 -2.30 -0.68 0.00 0.00 175.30 173.34 2vxf n PRO 50 N 4.71 2.33 -4.50 3.54 -0.02 -1.24 -4.97 135.00 134.85 2vxf n PRO 50 Ca 0.04 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 62.10 2vxf n PRO 50 Cb 0.43 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 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 -1.00 1.98 -1.79 3.45 -4.23 -1.26 -5.02 115.64 107.77 2vxf s THR 51 Ca 0.56 -2.17 0.28 0.00 -1.18 0.00 0.00 61.69 59.18 2vxf s THR 51 Cb -0.54 -2.58 0.69 0.00 1.34 0.00 0.00 72.50 71.41 2vxf s THR 51 CO 0.62 -0.23 2.00 0.47 -0.54 0.00 0.00 174.62 176.93 2vxf n ASP 52 N -0.71 0.00 -4.24 3.99 10.43 -1.26 -4.55 116.55 120.21 2vxf n ASP 52 Ca -0.05 -0.61 -0.38 0.00 2.57 0.00 0.00 54.79 56.32 2vxf n ASP 52 Cb 0.64 -0.10 -0.12 0.00 1.84 0.00 0.00 41.12 43.38 2vxf n ASP 52 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2vxf s ARG 53 N -2.21 2.51 0.26 -1.24 3.52 -1.26 -5.07 118.95 115.46 2vxf s ARG 53 Ca 0.37 -1.37 -0.31 0.00 -0.13 0.00 0.00 55.73 54.29 2vxf s ARG 53 Cb 0.19 -3.56 -0.12 0.00 -1.56 0.00 0.00 34.95 29.91 2vxf s ARG 53 CO 0.36 -0.81 1.66 -2.14 -0.81 0.00 0.00 175.30 173.56 2vxf s PRO 54 N 1.36 4.11 -0.08 5.12 0.02 -1.26 -5.00 135.00 139.27 2vxf s PRO 54 Ca 0.01 2.61 -0.00 0.00 0.02 0.00 0.00 61.00 63.63 2vxf s PRO 54 Cb -0.21 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 2vxf s PRO 54 CO 0.01 -0.70 -0.05 0.42 -0.33 0.00 0.00 177.00 176.35 2vxf s ILE 55 N 0.53 3.82 0.73 2.83 -1.09 -1.26 -5.11 121.20 121.66 2vxf s ILE 55 Ca 0.69 -0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 58.56 2vxf s ILE 55 Cb -0.49 -2.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 2vxf s ILE 55 CO 0.41 0.58 1.10 0.00 -1.23 0.00 0.00 174.94 175.80 2vxf s ALA 56 N -0.64 2.31 0.86 9.38 0.00 -1.26 -5.00 121.76 127.41 2vxf s ALA 56 Ca 0.10 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 2vxf s ALA 56 Cb -0.12 -3.30 0.11 0.00 0.00 0.00 0.00 23.12 19.82 2vxf s ALA 56 CO 0.02 -1.61 1.10 -1.25 0.00 0.00 0.00 175.76 174.02 2vxf s PRO 57 N -4.58 1.52 0.11 0.00 0.04 -1.26 -4.93 135.00 125.90 2vxf s PRO 57 Ca 0.64 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 62.53 2vxf s PRO 57 Cb -0.19 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2vxf s PRO 57 CO 0.51 -2.16 1.62 -0.98 0.04 0.00 0.00 177.00 176.03 2vxf s ARG 58 N -4.82 4.20 0.08 4.56 1.70 -1.26 -4.73 118.95 118.68 2vxf s ARG 58 Ca 0.63 2.35 0.00 0.00 -0.47 0.00 0.00 55.73 58.24 2vxf s ARG 58 Cb -0.19 -3.42 0.00 0.00 -0.57 0.00 0.00 34.95 30.76 2vxf s ARG 58 CO 0.57 -0.69 0.00 -3.47 -1.08 0.00 0.00 175.30 170.64 2vxf n ASP 59 N 4.96 -0.64 -4.82 -2.89 4.64 -1.26 -5.14 116.55 111.39 2vxf n ASP 59 Ca 0.15 0.16 -0.22 0.00 -1.38 0.00 0.00 54.79 53.50 2vxf n ASP 59 Cb 0.40 0.93 -0.04 0.00 -1.04 0.00 0.00 41.12 41.36 2vxf n ASP 59 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 2vxf s GLU 60 N -2.00 2.74 0.24 -0.67 2.02 -1.26 -5.14 118.70 114.64 2vxf s GLU 60 Ca 0.00 -1.24 0.09 0.00 0.02 0.00 0.00 54.97 53.84 2vxf s GLU 60 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2vxf s GLU 60 CO 0.00 0.22 0.00 0.99 0.02 0.00 0.00 175.26 176.49 2vxf s THR 61 N -2.26 3.53 -0.19 3.63 2.01 -1.26 -4.92 115.64 116.19 2vxf s THR 61 Ca 0.37 -1.79 -0.11 0.00 0.31 0.00 0.00 61.69 60.47 2vxf s THR 61 Cb -0.06 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 2vxf s THR 61 CO 0.25 -0.31 0.19 -0.36 -0.69 0.00 0.00 174.62 173.70 2vxf s PHE 62 N -2.17 3.42 0.14 4.92 0.08 -0.85 -4.97 117.98 118.54 2vxf s PHE 62 Ca 0.30 0.42 -0.12 0.00 0.12 0.00 0.00 56.93 57.65 2vxf s PHE 62 Cb -0.07 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 2vxf s PHE 62 CO 0.20 0.25 1.54 0.93 -0.10 0.00 0.00 175.22 178.04 2vxf h GLU 63 N 6.74 0.86 -2.62 0.44 5.08 -1.94 -2.70 114.58 120.44 2vxf h GLU 63 Ca -0.41 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 57.48 2vxf h GLU 63 Cb 1.16 -0.04 -0.28 0.00 0.50 0.00 0.00 28.75 30.08 2vxf h GLU 63 CO 0.75 0.98 -0.39 -0.47 -1.00 0.00 0.00 179.01 178.88 2vxf s TYR 64 N -4.76 -0.68 0.05 4.33 6.14 -1.26 -2.25 117.35 118.92 2vxf s TYR 64 Ca -0.12 1.35 0.04 0.00 0.64 0.00 0.00 57.07 58.98 2vxf s TYR 64 Cb 0.11 0.22 -0.02 0.00 0.42 0.00 0.00 41.96 42.69 2vxf s TYR 64 CO 0.84 -0.43 -0.12 0.42 0.64 0.00 0.00 175.55 176.90 2vxf s ILE 65 N 2.34 0.94 -0.08 3.14 1.01 -0.95 -5.03 121.20 122.57 2vxf s ILE 65 Ca -0.03 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.54 2vxf s ILE 65 Cb -0.11 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 2vxf s ILE 65 CO -0.12 -0.16 -0.08 -0.63 0.00 0.00 0.00 174.94 173.95 2vxf s ILE 66 N -1.09 3.61 0.02 2.92 1.01 -1.26 -2.31 121.20 124.10 2vxf s ILE 66 Ca -0.02 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2vxf s ILE 66 Cb -0.09 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 2vxf s ILE 66 CO 0.01 0.58 -0.15 -0.36 0.00 0.00 0.00 174.94 175.02 2vxf s PHE 67 N -0.58 1.33 0.13 3.97 0.08 -0.97 -5.04 117.98 116.91 2vxf s PHE 67 Ca 0.09 -0.31 0.06 0.00 0.12 0.00 0.00 56.93 56.89 2vxf s PHE 67 Cb -0.12 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.47 2vxf s PHE 67 CO 0.02 0.02 0.01 1.03 -0.10 0.00 0.00 175.22 176.19 2vxf s ARG 68 N -0.78 2.49 0.58 0.44 0.52 -1.26 -2.16 118.95 118.78 2vxf s ARG 68 Ca 0.04 -0.96 0.28 0.00 -0.52 0.00 0.00 55.73 54.57 2vxf s ARG 68 Cb -0.07 -2.46 1.64 0.00 0.52 0.00 0.00 34.95 34.59 2vxf s ARG 68 CO 0.00 0.50 2.12 0.78 0.02 0.00 0.00 175.30 178.72 2vxf h GLY 69 N 3.05 0.00 0.92 -3.53 0.00 -1.82 -2.21 103.07 99.47 2vxf h GLY 69 Ca -0.48 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 2vxf h GLY 69 CO 0.59 0.00 -0.03 1.48 0.00 0.00 0.00 176.54 178.58 2vxf h SER 70 N 0.00 0.62 0.72 0.19 4.64 -1.95 -3.24 113.55 114.53 2vxf h SER 70 Ca 0.08 -0.33 -0.26 0.00 -0.47 0.00 0.00 61.79 60.81 2vxf h SER 70 Cb 0.42 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 2vxf h SER 70 CO -0.00 0.80 -1.31 -2.24 -0.87 0.00 0.00 176.83 173.21 2vxf h ASP 71 N 0.42 0.13 -3.97 4.97 3.04 -1.84 -3.46 116.42 115.72 2vxf h ASP 71 Ca 0.09 -0.17 -0.53 0.00 -3.24 0.00 0.00 57.03 53.18 2vxf h ASP 71 Cb 0.50 -0.04 0.09 0.00 -1.04 0.00 0.00 39.33 38.84 2vxf h ASP 71 CO 0.02 1.14 0.60 -0.63 -2.04 0.00 0.00 179.24 178.33 2vxf s ILE 72 N -2.66 2.61 -0.20 4.15 1.01 -0.88 -2.16 121.20 123.06 2vxf s ILE 72 Ca -0.03 0.52 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 2vxf s ILE 72 Cb 0.08 -3.30 -0.11 0.00 0.01 0.00 0.00 42.46 39.15 2vxf s ILE 72 CO 0.83 0.06 -0.22 1.17 0.00 0.00 0.00 174.94 176.78 2vxf n LYS 73 N -0.09 0.46 -3.88 2.79 4.81 -0.40 -4.81 118.16 117.05 2vxf n LYS 73 Ca 0.05 0.15 -0.11 0.00 -0.87 0.00 0.00 58.31 57.53 2vxf n LYS 73 Cb 0.44 -1.31 -0.10 0.00 0.02 0.00 0.00 35.03 34.08 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 -6.40 0.02 -0.06 3.14 2.15 -1.10 -5.04 116.67 109.39 2vxf s ASP 74 Ca -0.28 -0.16 0.02 0.00 0.43 0.00 0.00 52.55 52.57 2vxf s ASP 74 Cb 0.09 0.21 0.01 0.00 -0.30 0.00 0.00 42.92 42.93 2vxf s ASP 74 CO 0.41 -0.31 -0.11 -0.22 -0.17 0.00 0.00 175.17 174.77 2vxf s LEU 75 N -1.15 1.64 0.02 -1.34 0.20 -1.26 -1.74 118.68 115.05 2vxf s LEU 75 Ca -0.12 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 54.48 2vxf s LEU 75 Cb -0.07 -0.76 -0.02 0.00 -0.43 0.00 0.00 46.19 44.92 2vxf s LEU 75 CO 0.01 0.03 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.06 2vxf s THR 76 N 0.60 1.26 -0.03 3.68 2.01 -0.92 -5.05 115.64 117.18 2vxf s THR 76 Ca -0.12 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 2vxf s THR 76 Cb -0.15 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2vxf s THR 76 CO 0.03 0.18 0.20 -0.69 -0.69 0.00 0.00 174.62 173.64 2vxf s VAL 77 N -0.64 5.41 -0.05 3.82 1.01 -1.26 -1.90 120.40 126.79 2vxf s VAL 77 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 2vxf s VAL 77 Cb -0.07 -3.51 -0.26 0.00 0.00 0.00 0.00 36.38 32.53 2vxf s VAL 77 CO 0.01 0.41 0.62 0.00 0.00 0.00 0.00 175.10 176.14 2vxf s GLU 79 N -2.59 4.22 0.49 0.00 0.41 -1.26 -5.03 118.70 114.94 2vxf s GLU 79 Ca -0.13 0.90 -0.22 0.00 -0.41 0.00 0.00 54.97 55.11 2vxf s GLU 79 Cb 0.07 -2.63 -0.07 0.00 -1.78 0.00 0.00 34.13 29.72 2vxf s GLU 79 CO 0.82 0.25 1.18 -1.25 -0.49 0.00 0.00 175.26 175.76 2vxf s PRO 80 N -2.46 3.60 0.66 0.39 0.04 -1.26 -5.00 135.00 130.96 2vxf s PRO 80 Ca 0.50 1.79 -0.14 0.00 0.04 0.00 0.00 61.00 63.20 2vxf s PRO 80 Cb -0.14 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 32.09 2vxf s PRO 80 CO 0.19 -0.69 1.07 -1.25 0.04 0.00 0.00 177.00 176.37 2vxf s PRO 81 N -2.84 2.95 0.46 0.56 0.04 -1.26 -5.01 135.00 129.90 2vxf s PRO 81 Ca 0.66 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 2vxf s PRO 81 Cb -0.29 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 2vxf s PRO 81 CO 0.35 -1.10 0.87 0.15 0.04 0.00 0.00 177.00 177.30 2vxf s LYS 82 N -4.42 3.86 0.31 4.56 3.01 -1.26 -5.02 119.74 120.77 2vxf s LYS 82 Ca 0.63 0.70 -0.29 0.00 -1.01 0.00 0.00 55.97 55.99 2vxf s LYS 82 Cb -0.17 -2.27 -0.10 0.00 -1.01 0.00 0.00 37.83 34.28 2vxf s LYS 82 CO 0.45 -0.14 1.31 -1.25 0.51 0.00 0.00 175.35 176.22 2vxf s PRO 83 N -3.95 4.37 -0.07 -1.68 0.04 -1.26 -5.03 135.00 127.42 2vxf s PRO 83 Ca 0.55 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.82 2vxf s PRO 83 Cb -0.10 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 2vxf s PRO 83 CO 0.31 -0.19 -0.24 0.42 0.04 0.00 0.00 177.00 177.33 2vxf s ILE 84 N -0.88 2.05 -1.69 0.56 1.01 -1.26 -5.19 121.20 115.80 2vxf s ILE 84 Ca 0.51 -1.04 0.13 0.00 0.00 0.00 0.00 60.65 60.25 2vxf s ILE 84 Cb -0.39 -1.75 0.11 0.00 0.01 0.00 0.00 42.46 40.44 2vxf s ILE 84 CO 0.50 0.56 0.93 0.23 0.00 0.00 0.00 174.94 177.16