#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 0.67 0.49 3.23 2.02 -1.26 -5.16 118.70 118.69 2vxf s GLU -1 Ca 0.00 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.09 2vxf s GLU -1 Cb 0.00 0.27 -0.08 0.00 0.10 0.00 0.00 34.13 34.42 2vxf s GLU -1 CO 0.00 -0.19 1.04 0.16 0.02 0.00 0.00 175.26 176.29 2vxf s ASP 0 N -2.16 6.33 0.25 -0.19 -4.77 -1.26 -4.94 116.67 109.93 2vxf s ASP 0 Ca -0.04 1.93 -0.05 0.00 -3.30 0.00 0.00 52.55 51.09 2vxf s ASP 0 Cb -0.01 -2.56 0.28 0.00 -1.09 0.00 0.00 42.92 39.55 2vxf s ASP 0 CO -0.05 -0.79 1.85 1.55 0.70 0.00 0.00 175.17 178.43 2vxf h PRO 1 N 1.54 1.11 -0.40 2.11 0.13 -1.98 -1.82 132.00 132.68 2vxf h PRO 1 Ca -0.49 -0.16 -0.11 0.00 -0.87 0.00 0.00 66.00 64.37 2vxf h PRO 1 Cb 1.22 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2vxf h PRO 1 CO 0.59 0.86 -0.20 0.77 -0.23 0.00 0.00 178.00 179.79 2vxf h SER 2 N 1.10 0.80 0.21 1.44 0.02 -1.93 -2.84 113.55 112.35 2vxf h SER 2 Ca 0.27 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2vxf h SER 2 Cb 0.11 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2vxf h SER 2 CO -0.03 0.98 -0.33 1.23 -1.14 0.00 0.00 176.83 177.54 2vxf h GLY 3 N 0.96 0.21 1.45 -3.77 0.00 -1.83 -2.98 103.07 97.11 2vxf h GLY 3 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2vxf h GLY 3 CO 0.05 0.16 0.27 -1.33 0.00 0.00 0.00 176.54 175.69 2vxf h GLY 4 N 1.08 0.78 -6.97 4.60 0.00 -1.09 -3.40 103.07 98.07 2vxf h GLY 4 Ca 0.02 -0.34 -0.62 0.00 0.00 0.00 0.00 47.33 46.39 2vxf h GLY 4 CO 0.05 0.33 -0.30 -1.59 0.00 0.00 0.00 176.54 175.03 2vxf s THR 5 N -5.47 5.23 0.17 4.70 2.01 -1.13 -5.07 115.64 116.09 2vxf s THR 5 Ca -0.09 0.51 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 2vxf s THR 5 Cb 0.17 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 2vxf s THR 5 CO 0.76 0.24 1.15 -2.16 -0.69 0.00 0.00 174.62 173.92 2vxf s PRO 6 N 1.57 4.53 0.21 4.92 0.04 -1.26 -4.93 135.00 140.08 2vxf s PRO 6 Ca 0.14 1.79 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 2vxf s PRO 6 Cb -0.15 -3.27 0.17 0.00 0.04 0.00 0.00 34.50 31.29 2vxf s PRO 6 CO 0.08 -0.03 1.59 1.88 0.04 0.00 0.00 177.00 180.56 2vxf h TYR 7 N 5.33 0.80 -3.21 0.56 0.05 -1.94 -3.43 116.97 115.13 2vxf h TYR 7 Ca -0.44 -0.22 -0.53 0.00 0.05 0.00 0.00 58.73 57.60 2vxf h TYR 7 Cb 1.21 -0.18 0.04 0.00 1.01 0.00 0.00 36.73 38.82 2vxf h TYR 7 CO 0.63 0.93 0.76 0.42 -1.05 0.00 0.00 178.16 179.85 2vxf s ILE 8 N -4.38 2.86 0.00 -2.88 1.01 -1.26 -2.10 121.20 114.45 2vxf s ILE 8 Ca -0.09 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.24 2vxf s ILE 8 Cb 0.12 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2vxf s ILE 8 CO 0.84 0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.47 2vxf n GLY 9 N 2.75 0.59 3.88 6.18 0.00 -0.77 -5.02 105.19 112.80 2vxf n GLY 9 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.87 5.91 0.04 1.61 0.01 -0.89 -4.90 113.70 112.61 2vxf s SER 10 Ca 0.00 -0.02 -0.27 0.00 1.31 0.00 0.00 55.95 56.97 2vxf s SER 10 Cb 0.00 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.53 2vxf s SER 10 CO 0.00 0.02 0.85 -0.54 0.41 0.00 0.00 173.24 173.98 2vxf s LYS 11 N -3.42 4.56 0.03 12.44 1.02 -1.26 -2.17 119.74 130.93 2vxf s LYS 11 Ca 0.33 1.21 0.02 0.00 0.02 0.00 0.00 55.97 57.55 2vxf s LYS 11 Cb -0.10 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 2vxf s LYS 11 CO 0.26 0.18 -0.07 0.42 -0.92 0.00 0.00 175.35 175.22 2vxf s ILE 12 N 0.25 0.52 -0.11 2.17 1.01 -0.91 -2.37 121.20 121.77 2vxf s ILE 12 Ca 0.43 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2vxf s ILE 12 Cb -0.21 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 2vxf s ILE 12 CO 0.25 -0.24 -0.14 -0.55 0.00 0.00 0.00 174.94 174.26 2vxf s SER 13 N -1.18 3.92 -0.03 3.58 0.15 -0.74 -2.64 113.70 116.75 2vxf s SER 13 Ca -0.07 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.32 2vxf s SER 13 Cb -0.08 -1.39 -0.01 0.00 -1.71 0.00 0.00 66.02 62.83 2vxf s SER 13 CO 0.00 0.21 -0.20 -0.22 1.20 0.00 0.00 173.24 174.24 2vxf s LEU 14 N 0.07 1.99 -0.20 3.45 2.96 -0.54 -2.17 118.68 124.24 2vxf s LEU 14 Ca -0.06 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 2vxf s LEU 14 Cb -0.15 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 2vxf s LEU 14 CO 0.05 0.21 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.60 2vxf s ILE 15 N -0.22 3.37 0.55 6.68 1.01 -0.78 -1.74 121.20 130.08 2vxf s ILE 15 Ca 0.01 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2vxf s ILE 15 Cb -0.10 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.89 2vxf s ILE 15 CO 0.01 0.44 0.78 -0.44 0.00 0.00 0.00 174.94 175.73 2vxf s SER 16 N 1.25 5.28 0.66 3.58 0.01 -1.02 -0.98 113.70 122.47 2vxf s SER 16 Ca 0.03 -0.00 0.42 0.00 1.31 0.00 0.00 55.95 57.71 2vxf s SER 16 Cb -0.14 -0.88 2.32 0.00 0.21 0.00 0.00 66.02 67.53 2vxf s SER 16 CO -0.02 -1.14 2.35 0.50 0.41 0.00 0.00 173.24 175.34 2vxf h LYS 17 N 0.07 0.00 -0.48 12.44 3.64 -1.67 -1.54 116.57 129.03 2vxf h LYS 17 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2vxf h LYS 17 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2vxf h LYS 17 CO 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.70 2vxf n ALA 18 N -2.12 2.65 -1.98 5.00 0.00 -1.26 -4.87 120.51 117.94 2vxf n ALA 18 Ca -0.03 -0.54 -0.19 0.00 0.00 0.00 0.00 53.44 52.68 2vxf n ALA 18 Cb 0.08 -1.00 -0.04 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 0.25 -1.43 -4.18 0.00 1.02 -0.58 -4.97 120.64 110.76 2vxf n GLU 19 Ca 0.09 1.04 -0.34 0.00 -0.02 0.00 0.00 57.16 57.93 2vxf n GLU 19 Cb 0.36 -5.48 -0.08 0.00 -0.02 0.00 0.00 31.44 26.22 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 -2.83 4.63 -0.25 -3.67 1.01 -1.26 -4.45 121.20 114.38 2vxf s ILE 20 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 2vxf s ILE 20 Cb 0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2vxf s ILE 20 CO 0.00 0.47 0.10 -0.60 0.00 0.00 0.00 174.94 174.91 2vxf s ARG 21 N -1.35 3.76 -0.05 2.79 3.52 -1.26 -2.42 118.95 123.94 2vxf s ARG 21 Ca 0.18 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 2vxf s ARG 21 Cb -0.12 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2vxf s ARG 21 CO 0.08 -0.14 -0.13 0.71 -0.81 0.00 0.00 175.30 175.02 2vxf s TYR 22 N 1.52 2.74 -0.01 5.12 2.02 -0.71 -2.26 117.35 125.76 2vxf s TYR 22 Ca 0.06 -0.14 0.08 0.00 -0.37 0.00 0.00 57.07 56.70 2vxf s TYR 22 Cb -0.15 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 2vxf s TYR 22 CO 0.05 0.20 -0.24 -2.00 -1.57 0.00 0.00 175.55 171.99 2vxf s GLU 23 N -0.72 1.90 0.20 -0.62 2.12 -0.94 -1.47 118.70 119.16 2vxf s GLU 23 Ca 0.11 -0.88 -0.18 0.00 0.36 0.00 0.00 54.97 54.38 2vxf s GLU 23 Cb -0.11 -1.87 0.07 0.00 0.26 0.00 0.00 34.13 32.48 2vxf s GLU 23 CO 0.01 0.51 0.89 0.41 -0.54 0.00 0.00 175.26 176.53 2vxf n GLY 24 N 2.39 0.75 3.67 -1.50 0.00 -1.08 -1.62 105.19 107.79 2vxf n GLY 24 Ca -0.16 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 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 4.33 -0.32 -0.61 -1.09 -1.05 -2.14 121.20 118.20 2vxf s ILE 25 Ca 0.19 -0.24 -0.28 0.00 -2.23 0.00 0.00 60.65 58.10 2vxf s ILE 25 Cb -0.03 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.99 2vxf s ILE 25 CO 0.06 0.60 1.92 -0.22 -1.23 0.00 0.00 174.94 176.07 2vxf s LEU 26 N -0.78 3.48 -0.21 2.97 2.96 -0.92 -2.60 118.68 123.59 2vxf s LEU 26 Ca 0.12 1.39 -0.18 0.00 -0.22 0.00 0.00 54.13 55.23 2vxf s LEU 26 Cb -0.12 -3.43 -0.15 0.00 0.50 0.00 0.00 46.19 43.00 2vxf s LEU 26 CO 0.02 -1.84 0.05 0.00 -1.32 0.00 0.00 176.35 173.26 2vxf n TYR 27 N 10.94 0.84 -3.75 5.38 9.36 -1.07 -1.84 117.16 137.02 2vxf n TYR 27 Ca 0.25 0.36 -0.13 0.00 3.32 0.00 0.00 57.90 61.70 2vxf n TYR 27 Cb 0.47 -1.01 -0.09 0.00 -0.63 0.00 0.00 39.34 38.08 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 -1.05 -4.85 115.64 105.97 2vxf s THR 28 Ca -0.28 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 2vxf s THR 28 Cb 0.06 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.33 2vxf s THR 28 CO 0.50 -0.13 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.63 2vxf s ILE 29 N -0.64 2.31 -0.53 2.99 1.01 -1.26 -2.05 121.20 123.03 2vxf s ILE 29 Ca -0.07 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 2vxf s ILE 29 Cb -0.04 -1.96 0.14 0.00 0.01 0.00 0.00 42.46 40.61 2vxf s ILE 29 CO 0.03 0.53 0.34 -0.62 0.00 0.00 0.00 174.94 175.22 2vxf s ASP 30 N 0.93 5.31 0.19 3.58 2.15 -0.79 -4.94 116.67 123.09 2vxf s ASP 30 Ca -0.04 -2.45 -0.07 0.00 0.43 0.00 0.00 52.55 50.42 2vxf s ASP 30 Cb -0.15 -1.86 0.11 0.00 -0.30 0.00 0.00 42.92 40.72 2vxf s ASP 30 CO -0.03 -0.47 1.60 0.74 -0.17 0.00 0.00 175.17 176.84 2vxf h THR 31 N 5.77 1.27 -0.32 1.71 2.02 -1.98 -2.32 112.91 119.06 2vxf h THR 31 Ca -0.07 -1.35 0.04 0.00 0.77 0.00 0.00 66.41 65.80 2vxf h THR 31 Cb 1.00 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 2vxf h THR 31 CO 0.72 0.46 0.22 -0.08 0.37 0.00 0.00 175.52 177.20 2vxf h GLU 32 N 0.77 0.27 -0.25 6.66 4.81 -1.94 -1.85 114.58 123.04 2vxf h GLU 32 Ca 0.10 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2vxf h GLU 32 Cb 0.75 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2vxf h GLU 32 CO 0.06 0.18 0.00 0.09 -0.73 0.00 0.00 179.01 178.61 2vxf n ASN 33 N -4.49 3.08 -4.03 1.04 3.02 -1.20 -4.98 115.26 107.70 2vxf n ASN 33 Ca 0.03 -2.41 -0.31 0.00 -0.03 0.00 0.00 54.58 51.86 2vxf n ASN 33 Cb 0.19 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.08 -3.35 -4.15 6.41 3.41 -0.70 -4.92 113.62 110.24 2vxf n SER 34 Ca 0.14 -0.91 -0.18 0.00 -0.26 0.00 0.00 58.87 57.66 2vxf n SER 34 Cb 0.57 -3.33 -0.12 0.00 -0.26 0.00 0.00 64.21 61.07 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 -3.41 1.02 -0.02 6.66 -4.23 -0.89 -2.36 115.64 112.42 2vxf s THR 35 Ca 0.56 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.90 2vxf s THR 35 Cb -0.29 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.55 2vxf s THR 35 CO 0.88 -0.20 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.93 2vxf s VAL 36 N -1.20 1.08 -0.15 2.29 1.01 -0.93 -1.89 120.40 120.61 2vxf s VAL 36 Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2vxf s VAL 36 Cb -0.10 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 2vxf s VAL 36 CO 0.02 0.31 -0.11 0.00 0.00 0.00 0.00 175.10 175.32 2vxf s ALA 37 N -0.14 2.66 -0.04 5.51 0.00 -0.87 -2.25 121.76 126.63 2vxf s ALA 37 Ca 0.02 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.08 2vxf s ALA 37 Cb -0.07 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2vxf s ALA 37 CO 0.00 0.09 -0.20 -0.51 0.00 0.00 0.00 175.76 175.15 2vxf s LEU 38 N 0.60 2.41 0.27 0.00 1.43 -0.93 -2.52 118.68 119.94 2vxf s LEU 38 Ca -0.07 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 52.81 2vxf s LEU 38 Cb -0.15 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2vxf s LEU 38 CO 0.03 0.32 -0.12 0.00 0.23 0.00 0.00 176.35 176.81 2vxf s ALA 39 N -0.62 2.90 -1.18 4.21 0.00 -1.07 -2.14 121.76 123.87 2vxf s ALA 39 Ca 0.09 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.23 2vxf s ALA 39 Cb -0.11 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2vxf s ALA 39 CO 0.00 0.29 0.84 1.17 0.00 0.00 0.00 175.76 178.06 2vxf n LYS 40 N -0.65 -3.60 -5.03 0.00 4.81 -0.99 -2.51 118.16 110.18 2vxf n LYS 40 Ca -0.06 0.70 -0.31 0.00 -0.87 0.00 0.00 58.31 57.77 2vxf n LYS 40 Cb 0.59 -5.27 -0.15 0.00 0.02 0.00 0.00 35.03 30.22 2vxf n LYS 40 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2vxf s VAL 41 N -3.49 2.24 0.05 3.15 0.11 -0.99 -4.23 120.40 117.24 2vxf s VAL 41 Ca 0.24 -1.23 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 2vxf s VAL 41 Cb -0.05 -1.84 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2vxf s VAL 41 CO 0.79 0.46 -0.09 0.00 -3.33 0.00 0.00 175.10 172.93 2vxf s ARG 42 N -1.00 0.59 -0.19 1.54 1.70 -0.64 -1.89 118.95 119.06 2vxf s ARG 42 Ca 0.11 -0.83 -0.14 0.00 -0.47 0.00 0.00 55.73 54.41 2vxf s ARG 42 Cb -0.10 -0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 33.87 2vxf s ARG 42 CO 0.01 0.06 0.29 -1.54 -1.08 0.00 0.00 175.30 173.05 2vxf s SER 43 N -1.71 6.37 0.14 -2.89 1.04 -1.26 -2.22 113.70 113.17 2vxf s SER 43 Ca -0.07 0.43 -0.11 0.00 0.48 0.00 0.00 55.95 56.68 2vxf s SER 43 Cb -0.09 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.81 2vxf s SER 43 CO 0.00 0.05 1.48 -0.26 0.98 0.00 0.00 173.24 175.50 2vxf h PHE 44 N 6.99 1.11 0.00 5.02 0.04 -1.85 -3.49 116.94 124.77 2vxf h PHE 44 Ca -0.39 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.06 2vxf h PHE 44 Cb 1.16 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.08 2vxf h PHE 44 CO 0.63 1.14 0.00 0.41 -0.60 0.00 0.00 178.31 179.89 2vxf n GLY 45 N 0.09 1.54 0.02 -1.45 0.00 -1.26 -5.04 105.19 99.08 2vxf n GLY 45 Ca -0.02 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.61 0.31 0.23 2.61 -2.24 -1.26 -4.22 114.28 109.09 2vxf n THR 46 Ca 0.00 -0.18 0.14 0.00 -2.27 0.00 0.00 64.05 61.74 2vxf n THR 46 Cb 0.00 -0.87 0.79 0.00 -2.10 0.00 0.00 70.33 68.15 2vxf n THR 46 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2vxf h GLU 47 N 0.00 0.00 -0.47 -0.78 4.81 -1.96 -0.67 114.58 115.51 2vxf h GLU 47 Ca -0.12 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2vxf h GLU 47 Cb 1.27 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 2vxf h GLU 47 CO 0.00 0.00 0.32 0.22 -0.73 0.00 0.00 179.01 178.82 2vxf h ASP 48 N 0.00 0.35 -4.01 1.04 -0.00 -1.94 -3.30 116.42 108.55 2vxf h ASP 48 Ca 0.05 0.00 -0.65 0.00 -0.00 0.00 0.00 57.03 56.43 2vxf h ASP 48 Cb 0.25 -0.07 -0.40 0.00 -0.00 0.00 0.00 39.33 39.10 2vxf h ASP 48 CO -0.00 0.23 -0.65 -0.13 -0.00 0.00 0.00 179.24 178.69 2vxf s ARG 49 N -5.37 1.79 0.12 0.28 1.81 -0.26 -5.10 118.95 112.22 2vxf s ARG 49 Ca -0.07 -2.25 -0.36 0.00 -1.72 0.00 0.00 55.73 51.33 2vxf s ARG 49 Cb 0.19 -3.31 -0.16 0.00 -0.45 0.00 0.00 34.95 31.22 2vxf s ARG 49 CO 0.73 -1.04 1.40 -2.30 -0.68 0.00 0.00 175.30 173.42 2vxf n PRO 50 N 3.71 1.47 -4.35 3.54 -0.02 -1.25 -4.95 135.00 133.16 2vxf n PRO 50 Ca 0.04 0.53 -0.18 0.00 -2.02 0.00 0.00 63.50 61.87 2vxf n PRO 50 Cb 0.37 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.56 1.20 -1.59 3.45 -4.23 -1.26 -5.03 115.64 108.73 2vxf s THR 51 Ca 0.82 -2.06 0.28 0.00 -1.18 0.00 0.00 61.69 59.54 2vxf s THR 51 Cb -0.86 -2.34 0.57 0.00 1.34 0.00 0.00 72.50 71.21 2vxf s THR 51 CO 0.44 -0.35 1.96 -0.90 -0.54 0.00 0.00 174.62 175.24 2vxf n ASP 52 N -0.45 0.00 -4.09 3.99 5.68 -1.26 -4.56 116.55 115.87 2vxf n ASP 52 Ca -0.05 -0.33 -0.33 0.00 -0.50 0.00 0.00 54.79 53.58 2vxf n ASP 52 Cb 0.64 -0.20 -0.14 0.00 -1.14 0.00 0.00 41.12 40.27 2vxf n ASP 52 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2vxf s ARG 53 N -2.41 2.10 0.23 0.11 0.52 -1.26 -5.10 118.95 113.14 2vxf s ARG 53 Ca 0.31 -1.49 -0.32 0.00 -0.52 0.00 0.00 55.73 53.71 2vxf s ARG 53 Cb 0.19 -3.09 -0.12 0.00 0.52 0.00 0.00 34.95 32.44 2vxf s ARG 53 CO 0.39 -0.71 1.64 -2.30 0.02 0.00 0.00 175.30 174.34 2vxf n PRO 54 N 4.45 2.62 -5.18 3.54 -0.02 -1.26 -5.00 135.00 134.15 2vxf n PRO 54 Ca -0.09 0.94 -0.32 0.00 -2.02 0.00 0.00 63.50 62.01 2vxf n PRO 54 Cb 0.42 -2.74 -0.17 0.00 -0.02 0.00 0.00 33.50 30.99 2vxf n PRO 54 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2vxf s ILE 55 N 0.68 2.17 0.45 4.25 -1.09 -1.26 -5.12 121.20 121.27 2vxf s ILE 55 Ca 0.72 -0.99 -0.22 0.00 -2.23 0.00 0.00 60.65 57.93 2vxf s ILE 55 Cb -0.54 -1.83 -0.09 0.00 -1.58 0.00 0.00 42.46 38.43 2vxf s ILE 55 CO 0.39 0.56 1.03 0.00 -1.23 0.00 0.00 174.94 175.69 2vxf s ALA 56 N 0.27 2.97 0.23 9.38 0.00 -1.26 -4.92 121.76 128.43 2vxf s ALA 56 Ca -0.16 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 2vxf s ALA 56 Cb -0.17 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 2vxf s ALA 56 CO 0.08 -0.22 1.31 -1.25 0.00 0.00 0.00 175.76 175.68 2vxf s PRO 57 N -2.97 4.39 -0.04 0.00 0.04 -1.26 -5.04 135.00 130.13 2vxf s PRO 57 Ca 0.63 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.78 2vxf s PRO 57 Cb -0.17 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.22 2vxf s PRO 57 CO 0.22 -0.23 -0.04 1.03 0.04 0.00 0.00 177.00 178.02 2vxf s ARG 58 N -0.53 0.74 -0.32 4.56 1.81 -1.26 -5.03 118.95 118.92 2vxf s ARG 58 Ca 0.55 -0.11 0.08 0.00 -1.72 0.00 0.00 55.73 54.53 2vxf s ARG 58 Cb -0.37 -0.75 0.50 0.00 -0.45 0.00 0.00 34.95 33.88 2vxf s ARG 58 CO 0.41 -0.05 1.48 -0.25 -0.68 0.00 0.00 175.30 176.21 2vxf n ASP 59 N 3.88 3.08 -4.71 0.23 8.00 -1.26 -4.93 116.55 120.83 2vxf n ASP 59 Ca -0.24 -3.80 -0.31 0.00 0.71 0.00 0.00 54.79 51.15 2vxf n ASP 59 Cb 0.52 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 40.91 2vxf n ASP 59 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2vxf s GLU 60 N -3.34 2.76 -0.06 -1.24 2.12 -1.26 -5.12 118.70 112.56 2vxf s GLU 60 Ca 0.47 -0.69 -0.03 0.00 0.36 0.00 0.00 54.97 55.08 2vxf s GLU 60 Cb 0.42 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 2vxf s GLU 60 CO -0.00 0.59 0.10 0.99 -0.54 0.00 0.00 175.26 176.39 2vxf s THR 61 N -1.23 4.98 -0.17 -1.70 2.01 -1.26 -4.74 115.64 113.52 2vxf s THR 61 Ca 0.24 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 2vxf s THR 61 Cb -0.12 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2vxf s THR 61 CO 0.16 0.49 0.09 -0.36 -0.69 0.00 0.00 174.62 174.31 2vxf s PHE 62 N -1.09 3.36 0.17 4.92 0.08 -0.79 -4.98 117.98 119.64 2vxf s PHE 62 Ca 0.19 0.24 -0.10 0.00 0.12 0.00 0.00 56.93 57.38 2vxf s PHE 62 Cb -0.12 -2.06 0.05 0.00 -0.57 0.00 0.00 43.02 40.32 2vxf s PHE 62 CO 0.09 0.32 1.63 1.49 -0.10 0.00 0.00 175.22 178.65 2vxf h GLU 63 N 6.28 1.03 -2.89 0.44 4.81 -1.94 -2.61 114.58 119.70 2vxf h GLU 63 Ca -0.42 -0.33 -0.21 0.00 -0.13 0.00 0.00 59.36 58.26 2vxf h GLU 63 Cb 1.17 -0.09 -0.32 0.00 0.63 0.00 0.00 28.75 30.14 2vxf h GLU 63 CO 0.69 1.02 -0.52 -0.47 -0.73 0.00 0.00 179.01 179.00 2vxf s TYR 64 N -5.01 -0.41 0.02 0.92 6.14 -1.26 -2.36 117.35 115.39 2vxf s TYR 64 Ca -0.12 0.94 0.03 0.00 0.64 0.00 0.00 57.07 58.56 2vxf s TYR 64 Cb 0.13 -0.02 -0.01 0.00 0.42 0.00 0.00 41.96 42.48 2vxf s TYR 64 CO 0.85 -0.33 -0.08 0.42 0.64 0.00 0.00 175.55 177.04 2vxf s ILE 65 N 2.20 0.65 -0.07 3.14 1.01 -0.91 -5.05 121.20 122.17 2vxf s ILE 65 Ca -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.02 2vxf s ILE 65 Cb -0.12 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2vxf s ILE 65 CO -0.09 -0.02 -0.11 -0.63 0.00 0.00 0.00 174.94 174.10 2vxf s ILE 66 N -0.62 3.35 0.00 2.92 1.01 -1.26 -2.19 121.20 124.42 2vxf s ILE 66 Ca -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.08 2vxf s ILE 66 Cb -0.06 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2vxf s ILE 66 CO 0.00 0.58 -0.13 -0.36 0.00 0.00 0.00 174.94 175.03 2vxf s PHE 67 N -0.57 1.17 0.05 3.97 0.08 -0.95 -5.05 117.98 116.68 2vxf s PHE 67 Ca 0.08 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.89 2vxf s PHE 67 Cb -0.12 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 2vxf s PHE 67 CO 0.02 -0.01 0.15 1.03 -0.10 0.00 0.00 175.22 176.31 2vxf s ARG 68 N -0.49 3.23 0.56 0.44 0.52 -1.26 -2.19 118.95 119.76 2vxf s ARG 68 Ca 0.04 -0.51 0.26 0.00 -0.52 0.00 0.00 55.73 55.00 2vxf s ARG 68 Cb -0.06 -2.93 1.49 0.00 0.52 0.00 0.00 34.95 33.97 2vxf s ARG 68 CO -0.00 0.61 2.04 0.78 0.02 0.00 0.00 175.30 178.74 2vxf h GLY 69 N 3.33 0.00 1.00 -3.53 0.00 -1.82 -1.56 103.07 100.49 2vxf h GLY 69 Ca -0.46 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 2vxf h GLY 69 CO 0.71 0.00 -0.08 1.76 0.00 0.00 0.00 176.54 178.93 2vxf h SER 70 N 0.00 0.83 0.77 0.19 0.02 -1.94 -3.22 113.55 110.19 2vxf h SER 70 Ca 0.16 -0.35 -0.25 0.00 -0.84 0.00 0.00 61.79 60.51 2vxf h SER 70 Cb 0.74 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2vxf h SER 70 CO -0.00 0.98 -1.23 -2.24 -1.14 0.00 0.00 176.83 173.20 2vxf h ASP 71 N 0.66 0.16 -3.98 3.07 3.04 -1.72 -3.46 116.42 114.18 2vxf h ASP 71 Ca 0.12 -0.19 -0.53 0.00 -3.24 0.00 0.00 57.03 53.19 2vxf h ASP 71 Cb 0.60 -0.05 0.09 0.00 -1.04 0.00 0.00 39.33 38.93 2vxf h ASP 71 CO 0.04 1.15 0.58 -0.63 -2.04 0.00 0.00 179.24 178.34 2vxf s ILE 72 N -2.67 2.61 -0.22 4.15 1.01 -0.80 -1.82 121.20 123.47 2vxf s ILE 72 Ca -0.02 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.07 2vxf s ILE 72 Cb 0.09 -3.28 -0.11 0.00 0.01 0.00 0.00 42.46 39.17 2vxf s ILE 72 CO 0.84 0.04 -0.25 1.17 0.00 0.00 0.00 174.94 176.74 2vxf n LYS 73 N -0.30 0.49 -3.79 2.79 4.81 -0.16 -4.81 118.16 117.19 2vxf n LYS 73 Ca 0.06 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.55 2vxf n LYS 73 Cb 0.45 -1.34 -0.09 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 -6.62 -0.15 -0.06 3.14 -1.08 -1.08 -5.03 116.67 105.80 2vxf s ASP 74 Ca -0.30 0.05 0.02 0.00 -0.52 0.00 0.00 52.55 51.80 2vxf s ASP 74 Cb 0.10 0.31 0.02 0.00 -1.46 0.00 0.00 42.92 41.89 2vxf s ASP 74 CO 0.43 -0.40 -0.08 -0.22 0.52 0.00 0.00 175.17 175.42 2vxf s LEU 75 N -1.22 1.47 -0.02 -1.34 0.20 -1.26 -1.87 118.68 114.63 2vxf s LEU 75 Ca -0.13 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.50 2vxf s LEU 75 Cb -0.06 -0.65 0.00 0.00 -0.43 0.00 0.00 46.19 45.05 2vxf s LEU 75 CO 0.03 -0.02 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.10 2vxf s THR 76 N 0.84 0.76 -0.03 3.68 2.01 -0.92 -5.06 115.64 116.92 2vxf s THR 76 Ca -0.12 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 2vxf s THR 76 Cb -0.15 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 2vxf s THR 76 CO 0.01 0.24 0.21 -0.69 -0.69 0.00 0.00 174.62 173.71 2vxf s VAL 77 N 0.18 5.39 -0.15 3.82 1.01 -1.26 -1.80 120.40 127.59 2vxf s VAL 77 Ca -0.03 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2vxf s VAL 77 Cb -0.08 -3.52 -0.23 0.00 0.00 0.00 0.00 36.38 32.54 2vxf s VAL 77 CO 0.00 0.42 0.24 0.00 0.00 0.00 0.00 175.10 175.76 2vxf s GLU 79 N -2.55 3.90 0.43 0.00 8.01 -1.26 -5.06 118.70 122.18 2vxf s GLU 79 Ca -0.21 0.26 -0.09 0.00 0.01 0.00 0.00 54.97 54.94 2vxf s GLU 79 Cb 0.07 -3.72 -0.06 0.00 -4.31 0.00 0.00 34.13 26.11 2vxf s GLU 79 CO 0.74 -0.55 0.78 -1.25 0.01 0.00 0.00 175.26 174.99 2vxf s PRO 80 N 2.55 3.70 0.19 0.39 0.04 -1.26 -5.00 135.00 135.61 2vxf s PRO 80 Ca 0.24 0.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 2vxf s PRO 80 Cb -0.15 -2.38 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 2vxf s PRO 80 CO 0.12 -0.10 1.14 -1.25 0.04 0.00 0.00 177.00 176.95 2vxf s PRO 81 N -4.14 4.55 0.31 0.56 0.04 -1.26 -5.04 135.00 130.02 2vxf s PRO 81 Ca 0.50 1.80 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 2vxf s PRO 81 Cb -0.10 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 2vxf s PRO 81 CO 0.36 0.01 0.66 0.15 0.04 0.00 0.00 177.00 178.22 2vxf s LYS 82 N -0.42 3.81 0.37 4.56 1.02 -1.26 -5.04 119.74 122.79 2vxf s LYS 82 Ca 0.50 0.38 -0.27 0.00 0.02 0.00 0.00 55.97 56.60 2vxf s LYS 82 Cb -0.31 -2.52 -0.11 0.00 -0.52 0.00 0.00 37.83 34.37 2vxf s LYS 82 CO 0.36 0.16 1.38 -2.30 -0.92 0.00 0.00 175.35 174.03 2vxf n PRO 83 N -0.66 2.34 -4.22 -1.68 -0.02 -1.26 -4.91 135.00 124.58 2vxf n PRO 83 Ca 0.01 0.82 -0.18 0.00 -2.02 0.00 0.00 63.50 62.14 2vxf n PRO 83 Cb 0.53 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 2vxf n PRO 83 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2vxf s ILE 84 N -1.12 1.25 0.00 4.25 -4.36 -1.26 -5.18 121.20 114.78 2vxf s ILE 84 Ca 0.56 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 2vxf s ILE 84 Cb -0.51 -1.43 0.00 0.00 1.25 0.00 0.00 42.46 41.77 2vxf s ILE 84 CO 0.62 -0.39 0.00 0.23 0.24 0.00 0.00 174.94 175.64