#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 1.98 0.19 3.23 -1.05 -1.26 -5.15 118.70 116.63 2vxf s GLU -1 Ca 0.00 -1.26 -0.07 0.00 -0.15 0.00 0.00 54.97 53.49 2vxf s GLU -1 Cb 0.00 0.56 -0.06 0.00 -0.44 0.00 0.00 34.13 34.19 2vxf s GLU -1 CO 0.00 -0.92 0.46 0.34 0.95 0.00 0.00 175.26 176.09 2vxf s ASP 0 N -3.13 6.56 0.24 0.83 -1.08 -1.26 -4.94 116.67 113.88 2vxf s ASP 0 Ca 0.16 0.75 -0.07 0.00 -0.52 0.00 0.00 52.55 52.88 2vxf s ASP 0 Cb -0.05 -2.16 0.23 0.00 -1.46 0.00 0.00 42.92 39.49 2vxf s ASP 0 CO 0.10 -0.01 1.89 -0.65 0.52 0.00 0.00 175.17 177.02 2vxf h PRO 1 N 2.68 1.27 -0.38 4.34 0.11 -1.99 0.54 132.00 138.57 2vxf h PRO 1 Ca -0.46 -0.11 -0.15 0.00 0.11 0.00 0.00 66.00 65.39 2vxf h PRO 1 Cb 1.17 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 2vxf h PRO 1 CO 0.71 0.88 -0.34 0.77 -0.21 0.00 0.00 178.00 179.80 2vxf h SER 2 N 1.29 0.91 0.43 -2.05 0.02 -1.94 -2.49 113.55 109.71 2vxf h SER 2 Ca 0.34 -0.39 -0.18 0.00 -0.84 0.00 0.00 61.79 60.71 2vxf h SER 2 Cb -0.08 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 2vxf h SER 2 CO -0.07 1.16 -0.77 1.23 -1.14 0.00 0.00 176.83 177.24 2vxf h GLY 3 N 0.87 0.30 1.58 -3.77 0.00 -1.84 -3.20 103.07 97.01 2vxf h GLY 3 Ca 0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2vxf h GLY 3 CO 0.08 0.41 -0.23 -1.33 0.00 0.00 0.00 176.54 175.47 2vxf h GLY 4 N 1.57 0.53 -6.78 4.60 0.00 0.18 -3.41 103.07 99.75 2vxf h GLY 4 Ca -0.03 -0.42 -0.65 0.00 0.00 0.00 0.00 47.33 46.23 2vxf h GLY 4 CO 0.12 0.38 -0.66 -1.59 0.00 0.00 0.00 176.54 174.80 2vxf s THR 5 N -4.53 3.98 0.48 4.70 2.01 -0.95 -5.09 115.64 116.24 2vxf s THR 5 Ca -0.07 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.43 2vxf s THR 5 Cb 0.14 -2.82 -0.08 0.00 0.01 0.00 0.00 72.50 69.75 2vxf s THR 5 CO 0.79 0.40 1.06 -2.16 -0.69 0.00 0.00 174.62 174.02 2vxf s PRO 6 N 1.22 3.81 0.39 4.92 0.04 -1.26 -4.79 135.00 139.31 2vxf s PRO 6 Ca 0.03 1.44 0.07 0.00 0.04 0.00 0.00 61.00 62.59 2vxf s PRO 6 Cb -0.15 -2.18 0.78 0.00 0.04 0.00 0.00 34.50 32.99 2vxf s PRO 6 CO 0.01 -0.44 1.97 1.88 0.04 0.00 0.00 177.00 180.47 2vxf h TYR 7 N 1.71 0.45 -3.74 0.56 -1.99 -1.98 -3.43 116.97 108.55 2vxf h TYR 7 Ca -0.49 -0.02 -0.53 0.00 2.00 0.00 0.00 58.73 59.69 2vxf h TYR 7 Cb 1.23 -0.14 0.07 0.00 2.00 0.00 0.00 36.73 39.89 2vxf h TYR 7 CO 0.56 0.39 0.70 0.42 -0.00 0.00 0.00 178.16 180.23 2vxf s ILE 8 N -5.14 2.58 0.00 -2.88 1.01 -1.26 -2.23 121.20 113.28 2vxf s ILE 8 Ca -0.07 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2vxf s ILE 8 Cb 0.16 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2vxf s ILE 8 CO 0.74 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.41 2vxf n GLY 9 N 1.16 0.53 3.88 6.18 0.00 -0.29 -5.01 105.19 111.64 2vxf n GLY 9 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.84 6.27 -0.01 1.61 0.01 -0.95 -4.75 113.70 113.04 2vxf s SER 10 Ca 0.00 1.23 -0.25 0.00 1.31 0.00 0.00 55.95 58.24 2vxf s SER 10 Cb 0.00 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 2vxf s SER 10 CO 0.00 -0.74 0.78 -0.54 0.41 0.00 0.00 173.24 173.16 2vxf s LYS 11 N -4.93 4.49 0.04 12.44 1.02 -1.26 -2.02 119.74 129.51 2vxf s LYS 11 Ca 0.52 1.06 0.03 0.00 0.02 0.00 0.00 55.97 57.60 2vxf s LYS 11 Cb -0.11 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2vxf s LYS 11 CO 0.49 0.13 -0.10 0.42 -0.92 0.00 0.00 175.35 175.37 2vxf s ILE 12 N 0.50 0.73 -0.11 2.17 1.01 -0.91 -2.35 121.20 122.24 2vxf s ILE 12 Ca 0.41 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2vxf s ILE 12 Cb -0.19 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 2vxf s ILE 12 CO 0.22 -0.19 -0.19 -0.55 0.00 0.00 0.00 174.94 174.24 2vxf s SER 13 N -1.26 3.53 -0.06 3.58 0.15 -0.82 -2.60 113.70 116.22 2vxf s SER 13 Ca -0.04 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.22 2vxf s SER 13 Cb -0.08 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.74 2vxf s SER 13 CO 0.01 0.17 -0.23 -0.22 1.20 0.00 0.00 173.24 174.16 2vxf s LEU 14 N 0.32 2.17 -0.24 3.45 2.96 -0.54 -2.22 118.68 124.58 2vxf s LEU 14 Ca -0.14 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.23 2vxf s LEU 14 Cb -0.17 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2vxf s LEU 14 CO 0.07 0.25 0.03 -0.63 -1.32 0.00 0.00 176.35 174.76 2vxf s ILE 15 N -0.21 4.00 0.65 6.68 1.01 -0.71 -1.92 121.20 130.70 2vxf s ILE 15 Ca -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 2vxf s ILE 15 Cb -0.13 -2.87 0.07 0.00 0.01 0.00 0.00 42.46 39.54 2vxf s ILE 15 CO 0.03 0.35 0.91 -0.44 0.00 0.00 0.00 174.94 175.79 2vxf s SER 16 N 1.57 4.83 0.61 3.58 0.01 -1.07 -1.21 113.70 122.02 2vxf s SER 16 Ca 0.06 -0.02 0.41 0.00 1.31 0.00 0.00 55.95 57.71 2vxf s SER 16 Cb -0.15 -0.64 2.21 0.00 0.21 0.00 0.00 66.02 67.66 2vxf s SER 16 CO 0.01 -1.51 2.25 0.50 0.41 0.00 0.00 173.24 174.91 2vxf h LYS 17 N -0.30 0.00 -0.61 12.44 3.64 -1.67 -1.48 116.57 128.58 2vxf h LYS 17 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2vxf h LYS 17 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2vxf h LYS 17 CO 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.68 2vxf n ALA 18 N -2.03 2.88 -2.35 5.00 0.00 -1.26 -4.89 120.51 117.86 2vxf n ALA 18 Ca -0.03 -0.82 -0.19 0.00 0.00 0.00 0.00 53.44 52.40 2vxf n ALA 18 Cb 0.07 -1.02 -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 0.42 -1.79 -4.11 0.00 1.02 -0.56 -4.98 120.64 110.64 2vxf n GLU 19 Ca 0.13 0.92 -0.32 0.00 -0.02 0.00 0.00 57.16 57.87 2vxf n GLU 19 Cb 0.55 -5.55 -0.07 0.00 -0.02 0.00 0.00 31.44 26.35 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 -2.91 4.60 -0.25 -3.67 1.01 -1.26 -4.48 121.20 114.25 2vxf s ILE 20 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 2vxf s ILE 20 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 2vxf s ILE 20 CO 0.00 0.29 0.09 -0.60 0.00 0.00 0.00 174.94 174.72 2vxf s ARG 21 N -1.89 3.72 -0.11 2.79 3.52 -1.26 -2.59 118.95 123.13 2vxf s ARG 21 Ca 0.24 -0.44 -0.00 0.00 -0.13 0.00 0.00 55.73 55.40 2vxf s ARG 21 Cb -0.12 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.88 2vxf s ARG 21 CO 0.16 -0.16 -0.10 0.71 -0.81 0.00 0.00 175.30 175.10 2vxf s TYR 22 N 1.55 2.87 -0.03 5.12 2.02 -0.81 -2.34 117.35 125.74 2vxf s TYR 22 Ca 0.06 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.49 2vxf s TYR 22 Cb -0.15 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2vxf s TYR 22 CO 0.05 0.03 -0.18 -2.00 -1.57 0.00 0.00 175.55 171.87 2vxf s GLU 23 N -0.10 2.33 0.23 -0.62 2.12 -0.94 -1.47 118.70 120.25 2vxf s GLU 23 Ca -0.00 -0.80 -0.17 0.00 0.36 0.00 0.00 54.97 54.35 2vxf s GLU 23 Cb -0.13 -2.25 0.06 0.00 0.26 0.00 0.00 34.13 32.07 2vxf s GLU 23 CO 0.03 0.59 0.85 0.41 -0.54 0.00 0.00 175.26 176.61 2vxf n GLY 24 N 2.26 0.81 3.68 -1.50 0.00 -1.07 -1.56 105.19 107.81 2vxf n GLY 24 Ca -0.17 -1.16 -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 -2.14 4.23 -0.33 -0.61 -1.09 -1.09 -2.14 121.20 118.03 2vxf s ILE 25 Ca 0.18 -0.39 -0.28 0.00 -2.23 0.00 0.00 60.65 57.93 2vxf s ILE 25 Cb -0.03 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 2vxf s ILE 25 CO 0.07 0.52 1.91 -0.22 -1.23 0.00 0.00 174.94 175.98 2vxf s LEU 26 N -1.15 3.48 -0.21 2.97 2.96 -0.86 -2.65 118.68 123.22 2vxf s LEU 26 Ca 0.16 1.35 -0.18 0.00 -0.22 0.00 0.00 54.13 55.24 2vxf s LEU 26 Cb -0.11 -3.42 -0.15 0.00 0.50 0.00 0.00 46.19 43.01 2vxf s LEU 26 CO 0.05 -1.84 0.04 0.00 -1.32 0.00 0.00 176.35 173.28 2vxf n TYR 27 N 10.92 0.81 -3.85 5.38 9.36 -1.04 -1.14 117.16 137.60 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 -0.12 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 -2.38 0.02 -0.17 2.97 -4.23 -1.10 -4.82 115.64 105.93 2vxf s THR 28 Ca -0.28 -0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.02 2vxf s THR 28 Cb 0.07 -0.23 -0.00 0.00 1.34 0.00 0.00 72.50 73.68 2vxf s THR 28 CO 0.51 -0.11 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.71 2vxf s ILE 29 N -0.33 2.76 -0.46 2.99 1.01 -1.26 -2.14 121.20 123.77 2vxf s ILE 29 Ca -0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 2vxf s ILE 29 Cb -0.03 -2.18 0.12 0.00 0.01 0.00 0.00 42.46 40.38 2vxf s ILE 29 CO 0.00 0.50 0.28 -0.62 0.00 0.00 0.00 174.94 175.10 2vxf s ASP 30 N 0.95 5.32 0.18 3.58 2.15 -0.84 -4.95 116.67 123.07 2vxf s ASP 30 Ca -0.02 -2.19 -0.03 0.00 0.43 0.00 0.00 52.55 50.73 2vxf s ASP 30 Cb -0.15 -1.86 0.08 0.00 -0.30 0.00 0.00 42.92 40.69 2vxf s ASP 30 CO -0.02 -0.53 1.47 0.74 -0.17 0.00 0.00 175.17 176.67 2vxf h THR 31 N 6.10 1.33 -0.12 1.71 2.02 -1.98 -2.41 112.91 119.57 2vxf h THR 31 Ca -0.12 -1.90 0.03 0.00 0.77 0.00 0.00 66.41 65.20 2vxf h THR 31 Cb 1.03 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2vxf h THR 31 CO 0.72 0.59 0.09 -0.08 0.37 0.00 0.00 175.52 177.21 2vxf h GLU 32 N 0.39 0.00 -0.12 6.66 4.57 -1.94 -2.02 114.58 122.12 2vxf h GLU 32 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2vxf h GLU 32 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2vxf h GLU 32 CO 0.11 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.03 2vxf n ASN 33 N -4.43 2.61 -3.89 1.04 3.02 -1.23 -4.99 115.26 107.39 2vxf n ASN 33 Ca -0.00 -2.44 -0.24 0.00 -0.03 0.00 0.00 54.58 51.86 2vxf n ASN 33 Cb 0.21 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 2vxf n ASN 33 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2vxf n SER 34 N -0.51 -0.68 -4.11 6.41 7.64 -0.76 -4.88 113.62 116.73 2vxf n SER 34 Ca 0.10 -0.95 -0.17 0.00 1.01 0.00 0.00 58.87 58.86 2vxf n SER 34 Cb 0.49 -3.34 -0.12 0.00 -1.01 0.00 0.00 64.21 60.23 2vxf n SER 34 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2vxf s THR 35 N -3.85 0.88 -0.02 0.44 -4.23 -0.91 -2.43 115.64 105.51 2vxf s THR 35 Ca 0.03 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.53 2vxf s THR 35 Cb -0.02 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 2vxf s THR 35 CO 0.87 -0.17 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.96 2vxf s VAL 36 N -1.07 1.06 -0.16 2.29 1.01 -0.93 -1.99 120.40 120.61 2vxf s VAL 36 Ca -0.03 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2vxf s VAL 36 Cb -0.09 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2vxf s VAL 36 CO 0.01 0.31 -0.07 0.00 0.00 0.00 0.00 175.10 175.35 2vxf s ALA 37 N -0.10 2.84 -0.07 5.51 0.00 -0.91 -2.27 121.76 126.76 2vxf s ALA 37 Ca 0.01 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2vxf s ALA 37 Cb -0.07 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2vxf s ALA 37 CO 0.00 0.10 -0.19 -0.51 0.00 0.00 0.00 175.76 175.16 2vxf s LEU 38 N 0.58 2.43 0.31 0.00 1.43 -0.96 -2.49 118.68 119.97 2vxf s LEU 38 Ca -0.05 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2vxf s LEU 38 Cb -0.15 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2vxf s LEU 38 CO 0.03 0.27 0.07 0.00 0.23 0.00 0.00 176.35 176.95 2vxf s ALA 39 N -0.28 3.34 -1.06 4.21 0.00 -1.08 -2.19 121.76 124.70 2vxf s ALA 39 Ca 0.01 -1.77 -0.15 0.00 0.00 0.00 0.00 51.96 50.04 2vxf s ALA 39 Cb -0.13 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 2vxf s ALA 39 CO 0.03 0.13 0.79 1.63 0.00 0.00 0.00 175.76 178.34 2vxf n LYS 40 N -1.03 -1.40 -4.63 0.00 5.02 -0.75 -2.66 118.16 112.70 2vxf n LYS 40 Ca -0.05 0.64 -0.27 0.00 -2.02 0.00 0.00 58.31 56.61 2vxf n LYS 40 Cb 0.60 -4.41 -0.14 0.00 -0.02 0.00 0.00 35.03 31.06 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 -3.37 1.94 0.04 -0.18 0.11 -1.01 -4.17 120.40 113.75 2vxf s VAL 41 Ca 0.40 -1.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 2vxf s VAL 41 Cb -0.13 -1.69 -0.02 0.00 -1.53 0.00 0.00 36.38 33.01 2vxf s VAL 41 CO 0.83 0.20 -0.08 -0.60 -3.33 0.00 0.00 175.10 172.12 2vxf s ARG 42 N -1.47 0.57 -0.16 1.54 3.52 -0.60 -2.09 118.95 120.25 2vxf s ARG 42 Ca 0.10 -0.71 -0.14 0.00 -0.13 0.00 0.00 55.73 54.85 2vxf s ARG 42 Cb -0.10 -0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 32.85 2vxf s ARG 42 CO 0.03 0.08 0.29 -1.54 -0.81 0.00 0.00 175.30 173.35 2vxf s SER 43 N -1.40 6.44 0.12 -2.12 1.04 -1.26 -2.21 113.70 114.31 2vxf s SER 43 Ca -0.07 0.51 -0.12 0.00 0.48 0.00 0.00 55.95 56.75 2vxf s SER 43 Cb -0.09 -2.18 -0.08 0.00 0.10 0.00 0.00 66.02 63.76 2vxf s SER 43 CO 0.01 0.10 1.41 -0.26 0.98 0.00 0.00 173.24 175.48 2vxf h PHE 44 N 6.67 1.08 0.00 5.02 0.04 -1.87 -3.48 116.94 124.40 2vxf h PHE 44 Ca -0.41 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 59.99 2vxf h PHE 44 Cb 1.16 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.11 2vxf h PHE 44 CO 0.60 1.20 0.00 0.41 -0.60 0.00 0.00 178.31 179.92 2vxf n GLY 45 N 0.32 1.15 0.00 -1.45 0.00 -1.26 -5.03 105.19 98.92 2vxf n GLY 45 Ca -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.26 2.61 -2.24 -1.26 -4.31 114.28 108.73 2vxf n THR 46 Ca 0.00 -0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.82 2vxf n THR 46 Cb 0.00 0.47 0.68 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.00 0.00 -0.20 -0.78 5.08 -1.96 -2.29 114.58 114.43 2vxf h GLU 47 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2vxf h GLU 47 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2vxf h GLU 47 CO 0.00 0.11 0.14 0.22 -1.00 0.00 0.00 179.01 178.48 2vxf h ASP 48 N 0.00 0.21 -3.99 1.42 -0.00 -1.93 -3.32 116.42 108.80 2vxf h ASP 48 Ca -0.00 -0.00 -0.65 0.00 -0.00 0.00 0.00 57.03 56.38 2vxf h ASP 48 Cb 0.25 -0.05 -0.40 0.00 -0.00 0.00 0.00 39.33 39.12 2vxf h ASP 48 CO 0.01 0.15 -0.68 -0.13 -0.00 0.00 0.00 179.24 178.59 2vxf s ARG 49 N -5.25 1.69 0.22 0.28 1.81 -0.86 -5.09 118.95 111.74 2vxf s ARG 49 Ca -0.06 -2.21 -0.31 0.00 -1.72 0.00 0.00 55.73 51.42 2vxf s ARG 49 Cb 0.17 -3.21 -0.11 0.00 -0.45 0.00 0.00 34.95 31.35 2vxf s ARG 49 CO 0.70 -1.03 1.62 -1.25 -0.68 0.00 0.00 175.30 174.67 2vxf s PRO 50 N 0.34 4.16 0.23 3.54 0.04 -1.25 -4.95 135.00 137.11 2vxf s PRO 50 Ca 0.14 2.50 0.04 0.00 0.04 0.00 0.00 61.00 63.72 2vxf s PRO 50 Cb -0.22 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2vxf s PRO 50 CO -0.04 -0.65 -0.01 0.95 0.04 0.00 0.00 177.00 177.28 2vxf s THR 51 N 0.80 1.06 -1.86 1.26 -4.23 -1.26 -5.03 115.64 106.38 2vxf s THR 51 Ca 0.69 -2.04 0.28 0.00 -1.18 0.00 0.00 61.69 59.45 2vxf s THR 51 Cb -0.47 -2.31 0.73 0.00 1.34 0.00 0.00 72.50 71.79 2vxf s THR 51 CO 0.36 -0.36 2.01 -0.90 -0.54 0.00 0.00 174.62 175.20 2vxf n ASP 52 N -0.40 0.00 -4.09 3.99 5.75 -1.26 -4.54 116.55 116.00 2vxf n ASP 52 Ca -0.05 -0.70 -0.33 0.00 -0.01 0.00 0.00 54.79 53.70 2vxf n ASP 52 Cb 0.64 -0.07 -0.14 0.00 -1.03 0.00 0.00 41.12 40.51 2vxf n ASP 52 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2vxf s ARG 53 N -2.14 2.11 0.36 0.11 3.52 -1.26 -5.10 118.95 116.56 2vxf s ARG 53 Ca 0.39 -1.48 -0.28 0.00 -0.13 0.00 0.00 55.73 54.22 2vxf s ARG 53 Cb 0.19 -3.10 -0.11 0.00 -1.56 0.00 0.00 34.95 30.37 2vxf s ARG 53 CO 0.35 -0.71 1.50 -2.14 -0.81 0.00 0.00 175.30 173.49 2vxf s PRO 54 N 1.10 4.11 0.07 5.12 0.02 -1.26 -5.02 135.00 139.14 2vxf s PRO 54 Ca -0.02 2.57 0.09 0.00 0.02 0.00 0.00 61.00 63.67 2vxf s PRO 54 Cb -0.20 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 2vxf s PRO 54 CO -0.04 -0.55 -0.26 0.42 -0.33 0.00 0.00 177.00 176.24 2vxf s ILE 55 N -0.94 2.11 -0.43 2.83 -1.09 -1.26 -5.11 121.20 117.32 2vxf s ILE 55 Ca 0.54 -1.47 -0.18 0.00 -2.23 0.00 0.00 60.65 57.32 2vxf s ILE 55 Cb -0.47 -1.83 0.02 0.00 -1.58 0.00 0.00 42.46 38.61 2vxf s ILE 55 CO 0.61 0.27 0.47 0.00 -1.23 0.00 0.00 174.94 175.06 2vxf s ALA 56 N -0.88 3.41 0.36 9.38 0.00 -1.26 -5.00 121.76 127.78 2vxf s ALA 56 Ca 0.12 -1.48 -0.27 0.00 0.00 0.00 0.00 51.96 50.32 2vxf s ALA 56 Cb -0.10 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 2vxf s ALA 56 CO 0.03 -1.63 1.27 -1.25 0.00 0.00 0.00 175.76 174.17 2vxf s PRO 57 N 2.25 4.22 0.08 0.00 0.04 -1.26 -5.04 135.00 135.29 2vxf s PRO 57 Ca 0.14 2.10 0.05 0.00 0.04 0.00 0.00 61.00 63.33 2vxf s PRO 57 Cb -0.17 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2vxf s PRO 57 CO 0.14 -0.26 -0.14 1.03 0.04 0.00 0.00 177.00 177.82 2vxf s ARG 58 N -1.98 0.84 -0.49 4.56 0.52 -1.26 -5.04 118.95 116.11 2vxf s ARG 58 Ca 0.52 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2vxf s ARG 58 Cb -0.37 -0.79 0.63 0.00 0.52 0.00 0.00 34.95 34.94 2vxf s ARG 58 CO 0.48 0.17 1.94 -0.25 0.02 0.00 0.00 175.30 177.66 2vxf n ASP 59 N 1.10 4.44 -4.62 0.23 8.00 -1.26 -4.94 116.55 119.49 2vxf n ASP 59 Ca -0.20 -3.64 -0.28 0.00 0.71 0.00 0.00 54.79 51.38 2vxf n ASP 59 Cb 0.55 -0.86 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 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 -3.38 2.28 0.02 -1.24 2.12 -1.26 -5.13 118.70 112.10 2vxf s GLU 60 Ca 0.58 -1.05 -0.00 0.00 0.36 0.00 0.00 54.97 54.86 2vxf s GLU 60 Cb 0.48 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.49 2vxf s GLU 60 CO 0.09 0.49 0.12 0.99 -0.54 0.00 0.00 175.26 176.40 2vxf s THR 61 N -1.45 4.93 -0.16 -1.70 2.01 -1.26 -4.80 115.64 113.21 2vxf s THR 61 Ca 0.24 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 2vxf s THR 61 Cb -0.10 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2vxf s THR 61 CO 0.16 0.28 0.09 -0.36 -0.69 0.00 0.00 174.62 174.11 2vxf s PHE 62 N -1.29 3.37 0.17 4.92 0.08 -0.89 -4.98 117.98 119.36 2vxf s PHE 62 Ca 0.26 0.27 -0.09 0.00 0.12 0.00 0.00 56.93 57.49 2vxf s PHE 62 Cb -0.12 -2.03 0.04 0.00 -0.57 0.00 0.00 43.02 40.33 2vxf s PHE 62 CO 0.18 0.37 1.58 1.49 -0.10 0.00 0.00 175.22 178.74 2vxf h GLU 63 N 6.09 1.01 -2.56 0.44 4.81 -1.94 -2.69 114.58 119.73 2vxf h GLU 63 Ca -0.44 -0.40 -0.11 0.00 -0.13 0.00 0.00 59.36 58.28 2vxf h GLU 63 Cb 1.18 -0.05 -0.28 0.00 0.63 0.00 0.00 28.75 30.24 2vxf h GLU 63 CO 0.67 1.08 -0.36 -0.47 -0.73 0.00 0.00 179.01 179.21 2vxf s TYR 64 N -4.75 -0.73 0.05 0.92 6.14 -1.26 -1.82 117.35 115.91 2vxf s TYR 64 Ca -0.11 1.44 0.05 0.00 0.64 0.00 0.00 57.07 59.09 2vxf s TYR 64 Cb 0.13 0.28 -0.03 0.00 0.42 0.00 0.00 41.96 42.76 2vxf s TYR 64 CO 0.87 -0.44 -0.15 0.42 0.64 0.00 0.00 175.55 176.88 2vxf s ILE 65 N 2.32 1.20 -0.10 3.14 1.01 -0.93 -5.03 121.20 122.82 2vxf s ILE 65 Ca -0.03 -1.15 -0.00 0.00 0.00 0.00 0.00 60.65 59.47 2vxf s ILE 65 Cb -0.11 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 2vxf s ILE 65 CO -0.13 -0.05 -0.07 -0.63 0.00 0.00 0.00 174.94 174.06 2vxf s ILE 66 N -0.99 3.65 -0.01 2.92 1.01 -1.26 -2.27 121.20 124.25 2vxf s ILE 66 Ca 0.01 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.24 2vxf s ILE 66 Cb -0.09 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 2vxf s ILE 66 CO 0.02 0.56 -0.17 -0.36 0.00 0.00 0.00 174.94 174.99 2vxf s PHE 67 N -0.38 1.52 0.11 3.97 0.08 -0.96 -5.04 117.98 117.28 2vxf s PHE 67 Ca 0.05 -0.30 0.05 0.00 0.12 0.00 0.00 56.93 56.86 2vxf s PHE 67 Cb -0.12 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 2vxf s PHE 67 CO 0.02 -0.01 0.04 1.03 -0.10 0.00 0.00 175.22 176.20 2vxf s ARG 68 N -0.49 2.67 0.58 0.44 0.52 -1.26 -2.18 118.95 119.23 2vxf s ARG 68 Ca 0.06 -0.85 0.28 0.00 -0.52 0.00 0.00 55.73 54.70 2vxf s ARG 68 Cb -0.07 -2.58 1.61 0.00 0.52 0.00 0.00 34.95 34.44 2vxf s ARG 68 CO -0.00 0.52 2.07 0.78 0.02 0.00 0.00 175.30 178.69 2vxf h GLY 69 N 3.09 0.00 0.84 -3.53 0.00 -1.82 -2.15 103.07 99.51 2vxf h GLY 69 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 2vxf h GLY 69 CO 0.62 0.00 -0.01 0.23 0.00 0.00 0.00 176.54 177.37 2vxf h SER 70 N 0.00 0.43 0.77 0.19 0.87 -1.94 -3.25 113.55 110.62 2vxf h SER 70 Ca 0.11 -0.32 -0.25 0.00 -1.23 0.00 0.00 61.79 60.10 2vxf h SER 70 Cb 0.59 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2vxf h SER 70 CO -0.00 0.65 -1.23 -2.24 -0.53 0.00 0.00 176.83 173.48 2vxf h ASP 71 N 0.20 0.14 -3.92 6.23 3.04 -1.82 -3.46 116.42 116.84 2vxf h ASP 71 Ca 0.07 -0.17 -0.53 0.00 -3.24 0.00 0.00 57.03 53.16 2vxf h ASP 71 Cb 0.43 -0.05 0.08 0.00 -1.04 0.00 0.00 39.33 38.75 2vxf h ASP 71 CO 0.01 1.14 0.64 -0.63 -2.04 0.00 0.00 179.24 178.36 2vxf s ILE 72 N -2.67 2.62 -0.20 4.15 1.01 -0.87 -1.78 121.20 123.45 2vxf s ILE 72 Ca -0.02 0.59 -0.02 0.00 0.00 0.00 0.00 60.65 61.20 2vxf s ILE 72 Cb 0.09 -3.36 -0.12 0.00 0.01 0.00 0.00 42.46 39.07 2vxf s ILE 72 CO 0.84 0.12 -0.21 1.17 0.00 0.00 0.00 174.94 176.86 2vxf n LYS 73 N 0.46 0.48 -3.88 2.79 4.81 -0.35 -4.82 118.16 117.65 2vxf n LYS 73 Ca 0.02 0.14 -0.11 0.00 -0.87 0.00 0.00 58.31 57.49 2vxf n LYS 73 Cb 0.42 -1.35 -0.11 0.00 0.02 0.00 0.00 35.03 34.01 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 -6.24 0.02 -0.05 3.14 -1.08 -1.11 -5.03 116.67 106.31 2vxf s ASP 74 Ca -0.28 -0.14 0.02 0.00 -0.52 0.00 0.00 52.55 51.63 2vxf s ASP 74 Cb 0.08 0.20 0.01 0.00 -1.46 0.00 0.00 42.92 41.76 2vxf s ASP 74 CO 0.43 -0.27 -0.09 -0.22 0.52 0.00 0.00 175.17 175.54 2vxf s LEU 75 N -1.02 1.56 -0.01 -1.34 0.20 -1.26 -1.73 118.68 115.08 2vxf s LEU 75 Ca -0.11 -0.23 0.04 0.00 0.69 0.00 0.00 54.13 54.52 2vxf s LEU 75 Cb -0.06 -0.67 -0.01 0.00 -0.43 0.00 0.00 46.19 45.02 2vxf s LEU 75 CO 0.01 0.01 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.05 2vxf s THR 76 N 0.68 1.05 -0.04 3.68 2.01 -0.94 -5.05 115.64 117.03 2vxf s THR 76 Ca -0.12 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2vxf s THR 76 Cb -0.15 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2vxf s THR 76 CO 0.02 0.28 0.12 -0.69 -0.69 0.00 0.00 174.62 173.66 2vxf s VAL 77 N -0.35 5.09 -0.11 3.82 1.01 -1.26 -1.94 120.40 126.66 2vxf s VAL 77 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 2vxf s VAL 77 Cb -0.05 -3.31 -0.25 0.00 0.00 0.00 0.00 36.38 32.77 2vxf s VAL 77 CO -0.00 0.42 0.39 0.00 0.00 0.00 0.00 175.10 175.91 2vxf s GLU 79 N -2.56 4.03 0.24 0.00 2.02 -1.26 -5.02 118.70 116.15 2vxf s GLU 79 Ca -0.18 0.77 -0.30 0.00 0.02 0.00 0.00 54.97 55.28 2vxf s GLU 79 Cb 0.07 -2.35 -0.09 0.00 0.10 0.00 0.00 34.13 31.86 2vxf s GLU 79 CO 0.77 0.08 1.30 -1.25 0.02 0.00 0.00 175.26 176.18 2vxf s PRO 80 N -3.16 4.40 0.64 0.39 0.04 -1.26 -4.99 135.00 131.06 2vxf s PRO 80 Ca 0.56 2.08 -0.18 0.00 0.04 0.00 0.00 61.00 63.51 2vxf s PRO 80 Cb -0.10 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 2vxf s PRO 80 CO 0.18 -0.20 1.22 -2.14 0.04 0.00 0.00 177.00 176.10 2vxf s PRO 81 N -0.66 2.71 0.19 0.56 0.02 -1.26 -5.03 135.00 131.53 2vxf s PRO 81 Ca 0.54 1.84 0.04 0.00 0.02 0.00 0.00 61.00 63.44 2vxf s PRO 81 Cb -0.37 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 2vxf s PRO 81 CO 0.42 -1.42 0.26 0.15 -0.33 0.00 0.00 177.00 176.09 2vxf s LYS 82 N -3.49 3.25 0.39 5.54 1.02 -1.26 -5.07 119.74 120.11 2vxf s LYS 82 Ca 0.77 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 55.72 2vxf s LYS 82 Cb -0.31 -2.82 -0.10 0.00 -0.52 0.00 0.00 37.83 34.08 2vxf s LYS 82 CO 0.37 0.47 1.40 -2.14 -0.92 0.00 0.00 175.35 174.53 2vxf s PRO 83 N -3.51 4.04 0.09 -1.68 0.02 -1.26 -5.03 135.00 127.67 2vxf s PRO 83 Ca 0.33 2.38 0.07 0.00 0.02 0.00 0.00 61.00 63.81 2vxf s PRO 83 Cb -0.10 -2.88 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 2vxf s PRO 83 CO 0.27 -0.52 -0.18 0.96 -0.33 0.00 0.00 177.00 177.20 2vxf s ILE 84 N -1.17 1.49 0.00 2.83 -4.36 -1.26 -5.05 121.20 113.68 2vxf s ILE 84 Ca 0.55 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 2vxf s ILE 84 Cb -0.43 -1.40 0.00 0.00 1.25 0.00 0.00 42.46 41.88 2vxf s ILE 84 CO 0.57 -0.14 0.00 1.15 0.24 0.00 0.00 174.94 176.75