#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4r s PRO 2 N 0.00 3.18 0.33 3.17 0.02 -1.26 -5.00 135.00 135.45 1v4r s PRO 2 Ca 0.00 -0.29 -0.28 0.00 0.02 0.00 0.00 61.00 60.45 1v4r s PRO 2 Cb 0.00 -4.41 -0.09 0.00 0.02 0.00 0.00 34.50 30.02 1v4r s PRO 2 CO 0.00 -2.25 1.14 1.52 -0.33 0.00 0.00 177.00 177.09 1v4r s TYR 3 N 6.06 3.33 -0.00 6.54 1.13 -1.26 -4.97 117.35 128.17 1v4r s TYR 3 Ca 0.41 1.61 -0.00 0.00 -1.41 0.00 0.00 57.07 57.68 1v4r s TYR 3 Cb -0.07 -3.35 -0.04 0.00 -1.10 0.00 0.00 41.96 37.40 1v4r s TYR 3 CO 0.11 -0.96 0.07 0.21 -2.51 0.00 0.00 175.55 172.47 1v4r s LYS 4 N -1.85 3.02 0.32 -3.49 2.20 -1.18 -5.07 119.74 113.69 1v4r s LYS 4 Ca 0.50 -0.50 0.09 0.00 -0.36 0.00 0.00 55.97 55.70 1v4r s LYS 4 Cb -0.32 -2.83 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 1v4r s LYS 4 CO 0.41 0.64 0.01 0.00 -0.36 0.00 0.00 175.35 176.05 1v4r s ALA 5 N -1.18 3.20 -0.80 3.13 0.00 -1.26 -4.15 121.76 120.70 1v4r s ALA 5 Ca 0.22 -1.86 -0.26 0.00 0.00 0.00 0.00 51.96 50.07 1v4r s ALA 5 Cb -0.12 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1v4r s ALA 5 CO 0.13 0.13 1.55 -2.14 0.00 0.00 0.00 175.76 175.44 1v4r s PRO 6 N -3.71 3.06 0.01 0.00 0.02 -1.15 -4.50 135.00 128.73 1v4r s PRO 6 Ca 0.34 -0.25 -0.14 0.00 0.02 0.00 0.00 61.00 60.97 1v4r s PRO 6 Cb -0.02 -4.63 -0.08 0.00 0.02 0.00 0.00 34.50 29.79 1v4r s PRO 6 CO 0.20 -2.48 1.02 0.93 -0.33 0.00 0.00 177.00 176.33 1v4r h GLU 7 N 11.34 -0.49 0.00 5.54 3.07 -1.98 -3.44 114.58 128.62 1v4r h GLU 7 Ca -0.11 0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.57 1v4r h GLU 7 Cb 1.06 0.11 -0.14 0.00 -0.84 0.00 0.00 28.75 28.94 1v4r h GLU 7 CO 1.29 -0.33 -0.32 0.41 -1.40 0.00 0.00 179.01 178.66 1v4r n GLY 8 N -0.69 0.76 3.48 -3.84 0.00 -1.26 -5.15 105.19 98.49 1v4r n GLY 8 Ca -0.06 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1v4r n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v4r s LYS 9 N 0.20 1.66 0.00 1.61 0.00 -1.26 -5.15 119.74 116.80 1v4r s LYS 9 Ca 0.20 -1.85 0.00 0.00 0.00 0.00 0.00 55.97 54.32 1v4r s LYS 9 Cb 0.33 -1.37 0.00 0.00 0.00 0.00 0.00 37.83 36.79 1v4r s LYS 9 CO -0.08 0.07 0.00 0.41 0.00 0.00 0.00 175.35 175.76 1v4r n GLY 10 N -0.67 3.27 0.00 0.59 0.00 -1.26 -4.94 105.19 102.18 1v4r n GLY 10 Ca -0.05 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.29 1v4r n GLY 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1v4r n TYR 11 N 0.00 0.00 0.35 1.61 4.11 -1.26 -2.75 117.16 119.22 1v4r n TYR 11 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.03 1v4r n TYR 11 Cb 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 39.34 39.64 1v4r n TYR 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1v4r h ALA 12 N 2.85 1.00 -0.02 -3.48 0.00 -1.92 -2.76 119.26 114.93 1v4r h ALA 12 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1v4r h ALA 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1v4r h ALA 12 CO 0.00 0.00 -0.17 0.22 0.00 0.00 0.00 179.25 179.30 1v4r h ASP 13 N 0.00 0.19 0.37 0.00 1.82 -1.90 -2.76 116.42 114.14 1v4r h ASP 13 Ca 0.00 -0.69 -0.12 0.00 -0.39 0.00 0.00 57.03 55.83 1v4r h ASP 13 Cb 0.85 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.79 1v4r h ASP 13 CO 0.00 0.85 -0.50 -0.37 -1.61 0.00 0.00 179.24 177.61 1v4r h VAL 14 N -0.46 1.35 -0.52 2.25 -1.51 -1.77 0.99 116.25 116.58 1v4r h VAL 14 Ca -0.01 -1.73 0.03 0.00 -1.23 0.00 0.00 66.70 63.75 1v4r h VAL 14 Cb 0.86 1.86 -0.04 0.00 -2.13 0.00 0.00 31.29 31.84 1v4r h VAL 14 CO 0.03 0.51 0.31 0.00 -1.23 0.00 0.00 177.57 177.19 1v4r h ALA 15 N 1.37 0.67 -0.21 5.19 0.00 -1.54 -2.05 119.26 122.69 1v4r h ALA 15 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1v4r h ALA 15 Cb 0.93 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1v4r h ALA 15 CO 0.07 0.02 -0.34 1.15 0.00 0.00 0.00 179.25 180.15 1v4r h THR 16 N 0.62 1.29 -0.07 0.00 2.02 -1.09 -2.04 112.91 113.64 1v4r h THR 16 Ca 0.21 -1.43 0.04 0.00 0.77 0.00 0.00 66.41 66.00 1v4r h THR 16 Cb 0.03 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 1v4r h THR 16 CO -0.10 0.45 -0.28 -0.74 0.37 0.00 0.00 175.52 175.22 1v4r h HIS 17 N 0.38 -0.76 -0.49 3.16 6.17 -0.18 0.92 115.15 124.35 1v4r h HIS 17 Ca 0.04 0.03 -0.13 0.00 0.71 0.00 0.00 60.37 61.03 1v4r h HIS 17 Cb 0.78 0.35 -0.01 0.00 2.52 0.00 0.00 27.41 31.05 1v4r h HIS 17 CO 0.02 -0.37 -0.19 0.74 0.71 0.00 0.00 177.93 178.84 1v4r h PHE 18 N -0.39 1.14 0.00 5.26 -1.00 -1.33 -2.47 116.94 118.16 1v4r h PHE 18 Ca 0.08 -0.27 -0.01 0.00 2.81 0.00 0.00 57.97 60.58 1v4r h PHE 18 Cb 0.51 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 1v4r h PHE 18 CO -0.34 1.10 -0.03 0.00 -1.61 0.00 0.00 178.31 177.42 1v4r h ARG 19 N 0.86 0.00 0.16 1.51 2.47 -0.97 0.99 114.38 119.40 1v4r h ARG 19 Ca 0.12 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.55 1v4r h ARG 19 Cb 0.77 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.10 1v4r h ARG 19 CO 0.06 0.03 -1.30 1.15 0.56 0.00 0.00 179.97 180.48 1v4r h THR 20 N 0.00 1.45 -0.17 2.04 2.02 -0.49 -2.83 112.91 114.93 1v4r h THR 20 Ca -0.00 -2.99 -0.09 0.00 0.77 0.00 0.00 66.41 64.10 1v4r h THR 20 Cb 0.07 2.97 -0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1v4r h THR 20 CO 0.00 0.88 -0.26 -0.07 0.37 0.00 0.00 175.52 176.44 1v4r h LEU 21 N 0.09 0.52 -1.59 2.58 3.38 -0.85 -2.97 115.31 116.47 1v4r h LEU 21 Ca -0.16 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.26 1v4r h LEU 21 Cb 2.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 1v4r h LEU 21 CO 0.22 0.94 -0.08 0.40 0.09 0.00 0.00 178.44 180.02 1v4r h ILE 22 N 0.11 0.24 0.44 1.22 1.08 -0.96 -0.29 117.51 119.34 1v4r h ILE 22 Ca 0.01 -0.62 -0.02 0.00 -0.39 0.00 0.00 64.86 63.84 1v4r h ILE 22 Cb 0.84 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 1v4r h ILE 22 CO 0.06 0.08 -0.32 0.50 -0.69 0.00 0.00 178.15 177.78 1v4r h LYS 23 N 0.00 -0.69 0.00 2.37 3.64 -1.32 -3.41 116.57 117.16 1v4r h LYS 23 Ca -0.00 0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1v4r h LYS 23 Cb 0.49 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1v4r h LYS 23 CO 0.01 -0.46 -1.40 0.43 -2.27 0.00 0.00 179.45 175.75 1v4r n SER 24 N -4.33 3.53 0.00 4.20 7.64 -1.25 -5.01 113.62 118.40 1v4r n SER 24 Ca -0.09 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1v4r n SER 24 Cb 0.31 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1v4r n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v4r n GLY 25 N 2.80 0.00 0.42 0.23 0.00 -1.25 -5.06 105.19 102.34 1v4r n GLY 25 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 1v4r n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1v4r h GLU 26 N 0.00 -0.96 -3.99 1.61 5.08 -1.78 -3.28 114.58 111.27 1v4r h GLU 26 Ca 0.00 0.07 -0.78 0.00 -1.00 0.00 0.00 59.36 57.65 1v4r h GLU 26 Cb 0.00 0.22 -0.25 0.00 0.50 0.00 0.00 28.75 29.22 1v4r h GLU 26 CO 0.00 -0.64 0.24 -1.17 -1.00 0.00 0.00 179.01 176.44 1v4r s LEU 27 N -10.06 6.48 0.44 1.33 2.96 -0.15 -4.99 118.68 114.68 1v4r s LEU 27 Ca -0.18 -2.68 -0.14 0.00 -0.22 0.00 0.00 54.13 50.91 1v4r s LEU 27 Cb 0.03 -2.24 -0.08 0.00 0.50 0.00 0.00 46.19 44.41 1v4r s LEU 27 CO 0.62 -0.62 0.86 0.00 -1.32 0.00 0.00 176.35 175.89 1v4r s ALA 28 N 0.42 3.22 0.20 5.97 0.00 -1.24 -4.23 121.76 126.10 1v4r s ALA 28 Ca 0.21 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 1v4r s ALA 28 Cb -0.09 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 1v4r s ALA 28 CO -0.09 -0.05 1.03 -1.25 0.00 0.00 0.00 175.76 175.41 1v4r s PRO 29 N -3.79 4.70 0.00 0.00 0.04 -1.26 -3.65 135.00 131.03 1v4r s PRO 29 Ca 0.55 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1v4r s PRO 29 Cb -0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1v4r s PRO 29 CO 0.29 0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.99 1v4r n GLY 30 N 1.75 1.62 3.94 0.56 0.00 0.94 -5.00 105.19 109.00 1v4r n GLY 30 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1v4r n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1v4r s ASP 31 N -1.27 6.10 0.66 1.61 2.15 -1.24 -4.83 116.67 119.85 1v4r s ASP 31 Ca 0.00 0.41 -0.11 0.00 0.43 0.00 0.00 52.55 53.28 1v4r s ASP 31 Cb 0.00 -1.84 -0.02 0.00 -0.30 0.00 0.00 42.92 40.77 1v4r s ASP 31 CO 0.00 -0.48 1.05 0.42 -0.17 0.00 0.00 175.17 175.99 1v4r s THR 32 N -2.45 4.26 0.49 1.71 -4.23 -1.26 0.17 115.64 114.34 1v4r s THR 32 Ca 0.44 0.73 -0.23 0.00 -1.18 0.00 0.00 61.69 61.46 1v4r s THR 32 Cb -0.10 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.00 1v4r s THR 32 CO 0.37 -0.96 1.29 -0.76 -0.54 0.00 0.00 174.62 174.02 1v4r s LEU 33 N -5.30 3.97 0.88 4.79 1.43 0.14 -4.64 118.68 119.95 1v4r s LEU 33 Ca 0.56 2.61 -0.13 0.00 -1.03 0.00 0.00 54.13 56.14 1v4r s LEU 33 Cb -0.12 -4.19 0.12 0.00 0.03 0.00 0.00 46.19 42.04 1v4r s LEU 33 CO 0.54 -1.23 1.19 -2.16 0.23 0.00 0.00 176.35 174.91 1v4r s PRO 34 N -2.72 1.40 0.62 1.29 0.04 -1.26 -5.01 135.00 129.36 1v4r s PRO 34 Ca 0.66 0.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 1v4r s PRO 34 Cb -0.36 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1v4r s PRO 34 CO 0.44 -1.98 1.03 -1.54 0.04 0.00 0.00 177.00 174.99 1v4r s SER 35 N -4.43 6.14 0.58 6.66 1.04 -1.26 -4.93 113.70 117.49 1v4r s SER 35 Ca 0.65 1.46 0.28 0.00 0.48 0.00 0.00 55.95 58.82 1v4r s SER 35 Cb -0.11 -2.48 1.53 0.00 0.10 0.00 0.00 66.02 65.06 1v4r s SER 35 CO 0.51 -0.93 1.97 -0.37 0.98 0.00 0.00 173.24 175.40 1v4r h VAL 36 N -0.29 0.44 -0.44 5.02 -1.51 -1.97 0.80 116.25 118.31 1v4r h VAL 36 Ca -0.44 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 64.97 1v4r h VAL 36 Cb 1.19 0.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 1v4r h VAL 36 CO 0.61 0.00 0.04 0.00 -1.23 0.00 0.00 177.57 176.99 1v4r h ALA 37 N 1.59 1.25 0.00 5.19 0.00 -1.98 -0.23 119.26 125.08 1v4r h ALA 37 Ca 0.18 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1v4r h ALA 37 Cb 0.94 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1v4r h ALA 37 CO -0.00 0.51 -0.50 -0.44 0.00 0.00 0.00 179.25 178.81 1v4r h ASP 38 N 0.66 0.00 -0.00 0.00 3.32 -1.19 0.12 116.42 119.32 1v4r h ASP 38 Ca 0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1v4r h ASP 38 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1v4r h ASP 38 CO 0.01 0.50 -0.01 0.40 -1.72 0.00 0.00 179.24 178.42 1v4r h ILE 39 N 0.00 1.62 -0.17 0.35 5.03 -1.46 -3.33 117.51 119.54 1v4r h ILE 39 Ca -0.00 -1.82 -0.03 0.00 -0.12 0.00 0.00 64.86 62.88 1v4r h ILE 39 Cb 0.90 2.85 -0.01 0.00 -3.03 0.00 0.00 36.82 37.54 1v4r h ILE 39 CO 0.06 0.47 -0.02 -0.09 -0.68 0.00 0.00 178.15 177.89 1v4r h ARG 40 N -0.77 0.32 -0.21 2.37 2.43 -0.86 0.17 114.38 117.84 1v4r h ARG 40 Ca -0.00 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1v4r h ARG 40 Cb 0.78 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1v4r h ARG 40 CO 0.00 0.57 -0.14 0.00 -1.51 0.00 0.00 179.97 178.89 1v4r h ALA 41 N 0.74 1.37 0.00 2.80 0.00 -0.95 -2.57 119.26 120.66 1v4r h ALA 41 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1v4r h ALA 41 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1v4r h ALA 41 CO 0.01 0.43 -0.09 1.96 0.00 0.00 0.00 179.25 181.56 1v4r h GLN 42 N 0.33 0.00 -4.91 0.00 1.08 -1.67 -3.12 115.11 106.82 1v4r h GLN 42 Ca 0.06 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.58 1v4r h GLN 42 Cb 0.45 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 27.69 1v4r h GLN 42 CO 0.03 0.00 0.16 -0.06 -0.95 0.00 0.00 178.83 178.00 1v4r s PHE 43 N -1.34 2.97 -0.57 2.96 0.40 0.61 -4.56 117.98 118.45 1v4r s PHE 43 Ca -0.03 -0.73 -0.27 0.00 -0.60 0.00 0.00 56.93 55.31 1v4r s PHE 43 Cb 0.00 -3.89 -0.09 0.00 0.51 0.00 0.00 43.02 39.55 1v4r s PHE 43 CO 0.04 -1.25 2.45 0.41 0.70 0.00 0.00 175.22 177.57 1v4r n GLY 44 N 5.24 0.08 3.30 4.36 0.00 -0.97 -3.54 105.19 113.66 1v4r n GLY 44 Ca -0.07 0.70 -0.19 0.00 0.00 0.00 0.00 46.02 46.45 1v4r n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1v4r s VAL 45 N 11.92 0.00 0.58 1.61 -7.23 -1.25 -2.95 120.40 123.08 1v4r s VAL 45 Ca 1.03 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 59.30 1v4r s VAL 45 Cb -0.31 -2.52 0.08 0.00 0.56 0.00 0.00 36.38 34.19 1v4r s VAL 45 CO 0.28 0.00 0.79 0.00 -0.31 0.00 0.00 175.10 175.87 1v4r s ALA 46 N -3.40 4.42 0.01 1.32 0.00 -1.26 -4.74 121.76 118.11 1v4r s ALA 46 Ca 0.40 -1.93 0.15 0.00 0.00 0.00 0.00 51.96 50.58 1v4r s ALA 46 Cb 0.02 -1.64 0.21 0.00 0.00 0.00 0.00 23.12 21.71 1v4r s ALA 46 CO 0.27 -0.88 1.51 0.00 0.00 0.00 0.00 175.76 176.66 1v4r h ALA 47 N 0.11 0.72 0.00 0.00 0.00 -2.01 -2.51 119.26 115.57 1v4r h ALA 47 Ca -0.34 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 53.87 1v4r h ALA 47 Cb 1.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1v4r h ALA 47 CO 0.42 0.70 -0.93 0.87 0.00 0.00 0.00 179.25 180.31 1v4r h LYS 48 N 0.00 0.00 -0.50 0.00 1.57 -1.99 -3.23 116.57 112.42 1v4r h LYS 48 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1v4r h LYS 48 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1v4r h LYS 48 CO 0.07 0.93 0.17 1.15 -0.57 0.00 0.00 179.45 181.21 1v4r h THR 49 N 0.00 1.22 0.50 -0.16 2.02 -1.87 -1.91 112.91 112.72 1v4r h THR 49 Ca -0.01 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 1v4r h THR 49 Cb 1.68 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1v4r h THR 49 CO 0.12 0.27 -0.46 0.58 0.37 0.00 0.00 175.52 176.40 1v4r h VAL 50 N 0.67 0.09 0.00 3.16 2.07 -1.53 -2.40 116.25 118.31 1v4r h VAL 50 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1v4r h VAL 50 Cb 0.24 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1v4r h VAL 50 CO -0.01 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.34 1v4r n SER 51 N -5.55 0.00 -0.05 0.57 2.88 -1.18 -2.83 113.62 107.46 1v4r n SER 51 Ca -0.12 0.17 -0.13 0.00 -1.33 0.00 0.00 58.87 57.46 1v4r n SER 51 Cb 0.44 -0.32 -0.12 0.00 -0.75 0.00 0.00 64.21 63.46 1v4r n SER 51 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1v4r h ARG 52 N 0.00 -0.01 -0.00 -1.46 9.65 -0.81 -3.36 114.38 118.39 1v4r h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1v4r h ARG 52 Cb 0.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1v4r h ARG 52 CO 0.00 0.82 -0.53 0.00 2.80 0.00 0.00 179.97 183.06 1v4r n ALA 53 N -2.57 3.63 -0.17 2.80 0.00 -1.14 -3.82 120.51 119.24 1v4r n ALA 53 Ca -0.09 -0.37 0.26 0.00 0.00 0.00 0.00 53.44 53.24 1v4r n ALA 53 Cb 0.40 -1.09 0.68 0.00 0.00 0.00 0.00 19.45 19.44 1v4r n ALA 53 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1v4r h LEU 54 N 0.03 0.09 -1.43 0.00 3.38 -1.67 0.33 115.31 116.03 1v4r h LEU 54 Ca 0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1v4r h LEU 54 Cb 0.50 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1v4r h LEU 54 CO 0.00 0.03 -0.21 0.00 0.09 0.00 0.00 178.44 178.35 1v4r h ALA 55 N 1.59 1.53 0.01 1.53 0.00 -1.79 -1.68 119.26 120.44 1v4r h ALA 55 Ca 0.42 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 1v4r h ALA 55 Cb 1.52 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1v4r h ALA 55 CO -0.04 0.34 -1.07 0.28 0.00 0.00 0.00 179.25 178.76 1v4r h VAL 56 N 0.10 1.64 0.00 0.00 2.07 -0.68 -3.30 116.25 116.08 1v4r h VAL 56 Ca 0.02 -3.35 0.00 0.00 0.82 0.00 0.00 66.70 64.19 1v4r h VAL 56 Cb 0.43 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1v4r h VAL 56 CO 0.03 0.94 0.00 0.18 0.02 0.00 0.00 177.57 178.74 1v4r n LEU 57 N -3.34 0.00 0.24 2.57 4.77 -0.18 -1.06 117.00 119.99 1v4r n LEU 57 Ca -0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 1v4r n LEU 57 Cb 0.95 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.97 1v4r n LEU 57 CO 0.47 0.00 0.50 0.11 -1.33 0.00 0.00 177.39 177.14 1v4r h LYS 58 N 0.00 -0.59 0.04 3.23 1.57 -1.59 -0.01 116.57 119.22 1v4r h LYS 58 Ca 0.00 0.04 -0.34 0.00 -1.87 0.00 0.00 60.65 58.48 1v4r h LYS 58 Cb 0.00 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1v4r h LYS 58 CO 0.00 -0.29 -2.04 -1.13 -0.57 0.00 0.00 179.45 175.42 1v4r n SER 59 N -5.24 1.24 -0.03 0.86 3.41 -1.09 -2.54 113.62 110.22 1v4r n SER 59 Ca -0.10 0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.58 1v4r n SER 59 Cb 0.30 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 1v4r n SER 59 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1v4r h GLU 60 N 0.02 -0.04 -0.00 4.33 4.57 -1.27 -3.32 114.58 118.87 1v4r h GLU 60 Ca -0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1v4r h GLU 60 Cb 2.05 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.65 1v4r h GLU 60 CO 0.05 0.64 -0.39 0.41 -1.18 0.00 0.00 179.01 178.54 1v4r n GLY 61 N 1.23 -0.90 2.88 1.92 0.00 -0.65 -4.91 105.19 104.75 1v4r n GLY 61 Ca -0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 1v4r n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v4r n LEU 62 N -1.05 -5.76 -4.19 0.99 4.32 -0.11 -4.83 117.00 106.38 1v4r n LEU 62 Ca 0.09 -0.24 -0.11 0.00 -0.02 0.00 0.00 56.01 55.73 1v4r n LEU 62 Cb 0.34 -2.91 -0.10 0.00 -1.62 0.00 0.00 43.42 39.13 1v4r n LEU 62 CO 0.30 -0.61 -0.35 0.68 -1.22 0.00 0.00 177.39 176.19 1v4r s VAL 63 N -3.11 0.59 -0.08 4.08 -7.23 -0.97 -4.13 120.40 109.55 1v4r s VAL 63 Ca 0.13 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.32 1v4r s VAL 63 Cb -0.02 -1.90 0.04 0.00 0.56 0.00 0.00 36.38 35.07 1v4r s VAL 63 CO 0.63 -0.66 0.18 -0.44 -0.31 0.00 0.00 175.10 174.50 1v4r s SER 64 N -3.09 -0.05 -0.93 4.85 0.01 -0.68 -4.48 113.70 109.34 1v4r s SER 64 Ca 0.18 0.39 -0.24 0.00 1.31 0.00 0.00 55.95 57.58 1v4r s SER 64 Cb 0.06 0.29 0.03 0.00 0.21 0.00 0.00 66.02 66.61 1v4r s SER 64 CO -0.01 -0.17 1.48 -0.55 0.41 0.00 0.00 173.24 174.40 1v4r s SER 65 N 1.38 6.23 -0.64 2.44 0.15 -1.26 -2.08 113.70 119.91 1v4r s SER 65 Ca -0.07 -1.06 -0.24 0.00 0.70 0.00 0.00 55.95 55.27 1v4r s SER 65 Cb -0.11 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1v4r s SER 65 CO -0.07 -1.75 1.04 -0.60 1.20 0.00 0.00 173.24 173.06 1v4r s ARG 66 N 5.45 3.21 -0.08 5.44 6.06 -0.94 -4.91 118.95 133.18 1v4r s ARG 66 Ca 0.47 -0.50 -0.05 0.00 -2.50 0.00 0.00 55.73 53.15 1v4r s ARG 66 Cb -0.03 -4.16 -0.19 0.00 0.06 0.00 0.00 34.95 30.63 1v4r s ARG 66 CO -0.02 -1.79 2.81 0.41 -2.50 0.00 0.00 175.30 174.21 1v4r n GLY 67 N 5.27 2.56 2.14 8.12 0.00 -1.26 -0.18 105.19 121.84 1v4r n GLY 67 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1v4r n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v4r n ALA 68 N 2.71 0.00 0.48 4.61 0.00 -1.26 -4.91 120.51 122.15 1v4r n ALA 68 Ca 0.34 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.90 1v4r n ALA 68 Cb 0.65 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.34 1v4r n ALA 68 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1v4r h LEU 69 N 0.00 0.00 0.00 0.00 4.07 -1.98 -3.50 115.31 113.90 1v4r h LEU 69 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1v4r h LEU 69 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1v4r h LEU 69 CO 0.00 0.04 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 1v4r n GLY 70 N 1.27 0.84 3.55 0.83 0.00 0.74 -4.89 105.19 107.54 1v4r n GLY 70 Ca 0.04 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 1v4r n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v4r s THR 71 N -1.16 3.54 0.27 2.61 2.01 -1.26 -2.21 115.64 119.45 1v4r s THR 71 Ca 0.00 0.24 0.11 0.00 0.31 0.00 0.00 61.69 62.35 1v4r s THR 71 Cb 0.00 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 1v4r s THR 71 CO 0.00 -1.37 -0.13 0.68 -0.69 0.00 0.00 174.62 173.11 1v4r s VAL 72 N 7.50 2.81 -0.86 3.82 -7.23 -0.88 0.26 120.40 125.82 1v4r s VAL 72 Ca 0.52 -2.24 -0.22 0.00 -1.81 0.00 0.00 61.98 58.24 1v4r s VAL 72 Cb -0.10 -2.48 0.08 0.00 0.56 0.00 0.00 36.38 34.44 1v4r s VAL 72 CO 0.16 -0.39 1.18 -0.69 -0.31 0.00 0.00 175.10 175.05 1v4r s VAL 73 N -2.44 4.30 0.09 1.32 1.01 0.13 -1.68 120.40 123.13 1v4r s VAL 73 Ca 0.30 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1v4r s VAL 73 Cb -0.06 -4.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 1v4r s VAL 73 CO 0.17 -1.64 0.16 -1.61 0.00 0.00 0.00 175.10 172.18 1v4r s GLU 74 N 3.97 3.18 -0.93 2.72 2.02 -1.26 -0.04 118.70 128.36 1v4r s GLU 74 Ca 0.33 -0.60 -0.24 0.00 0.02 0.00 0.00 54.97 54.48 1v4r s GLU 74 Cb -0.07 -2.87 -0.07 0.00 0.10 0.00 0.00 34.13 31.22 1v4r s GLU 74 CO -0.02 0.57 2.00 0.15 0.02 0.00 0.00 175.26 177.98 1v4r s LYS 75 N -2.64 2.41 -0.71 1.61 1.02 -1.26 -3.50 119.74 116.67 1v4r s LYS 75 Ca 0.32 -0.32 -0.18 0.00 0.02 0.00 0.00 55.97 55.81 1v4r s LYS 75 Cb -0.12 -5.05 0.13 0.00 -0.52 0.00 0.00 37.83 32.27 1v4r s LYS 75 CO 0.25 -3.62 0.80 1.21 -0.92 0.00 0.00 175.35 173.07 1v4r s ASN 76 N 8.16 6.39 0.66 2.83 3.84 -1.26 -5.02 114.94 130.54 1v4r s ASN 76 Ca 0.73 -1.81 -0.17 0.00 0.21 0.00 0.00 52.86 51.82 1v4r s ASN 76 Cb -0.07 -2.30 -0.02 0.00 -0.55 0.00 0.00 41.25 38.31 1v4r s ASN 76 CO 0.02 -1.00 1.01 -2.65 -2.79 0.00 0.00 177.10 171.70 1v4r n PRO 77 N 5.91 0.74 -1.53 0.43 -0.02 -1.26 -4.34 135.00 134.93 1v4r n PRO 77 Ca 0.02 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 1v4r n PRO 77 Cb 0.45 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1v4r n PRO 77 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1v4r n ILE 78 N -2.13 0.12 -2.57 4.25 -6.64 -1.25 -2.52 119.36 108.61 1v4r n ILE 78 Ca 0.14 -0.49 -0.01 0.00 -1.77 0.00 0.00 62.75 60.62 1v4r n ILE 78 Cb 0.48 -2.22 0.00 0.00 -1.44 0.00 0.00 39.64 36.47 1v4r n ILE 78 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1v4r n VAL 79 N 7.68 -7.69 -4.78 7.28 0.31 -1.26 -5.05 118.33 114.82 1v4r n VAL 79 Ca 0.39 -0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 64.38 1v4r n VAL 79 Cb 0.39 -6.02 -0.15 0.00 -0.91 0.00 0.00 33.84 27.15 1v4r n VAL 79 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1v4r s ILE 80 N -2.83 2.79 0.26 2.52 -1.09 -1.05 -5.12 121.20 116.68 1v4r s ILE 80 Ca 0.04 -0.75 -0.07 0.00 -2.23 0.00 0.00 60.65 57.64 1v4r s ILE 80 Cb -0.01 -2.16 -0.06 0.00 -1.58 0.00 0.00 42.46 38.65 1v4r s ILE 80 CO 0.53 0.53 0.54 0.28 -1.23 0.00 0.00 174.94 175.59 1v4r s THR 81 N 0.48 4.99 -0.20 2.92 -1.32 -1.26 -5.00 115.64 116.25 1v4r s THR 81 Ca -0.11 0.23 -0.29 0.00 -1.21 0.00 0.00 61.69 60.31 1v4r s THR 81 Cb -0.16 -3.68 0.00 0.00 -1.51 0.00 0.00 72.50 67.15 1v4r s THR 81 CO 0.05 -0.21 1.07 -0.83 -2.21 0.00 0.00 174.62 172.49 1v4r s GLY 82 N -2.81 1.80 -0.20 6.08 0.00 -1.26 -4.90 107.32 106.03 1v4r s GLY 82 Ca 0.45 0.26 -0.16 0.00 0.00 0.00 0.00 44.72 45.28 1v4r s GLY 82 CO 0.26 2.20 -0.19 0.00 0.00 0.00 0.00 173.10 175.37 1v4r n ALA 83 N 6.14 0.84 0.51 3.20 0.00 -1.26 -3.97 120.51 125.97 1v4r n ALA 83 Ca 0.12 -0.73 0.10 0.00 0.00 0.00 0.00 53.44 52.93 1v4r n ALA 83 Cb 0.46 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 1v4r n ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1v4r n ASP 84 N -4.44 0.71 -0.04 0.00 8.00 -1.26 -4.11 116.55 115.41 1v4r n ASP 84 Ca -0.27 -0.54 0.14 0.00 0.71 0.00 0.00 54.79 54.83 1v4r n ASP 84 Cb 0.59 1.39 0.64 0.00 -0.02 0.00 0.00 41.12 43.72 1v4r n ASP 84 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1v4r n ARG 85 N -1.78 0.40 -3.59 -1.24 5.12 -1.26 -4.70 116.66 109.62 1v4r n ARG 85 Ca 0.00 -0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.45 1v4r n ARG 85 Cb 0.40 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.09 1v4r n ARG 85 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1v4r s LEU 86 N -2.65 4.27 -0.05 0.55 2.96 -1.25 -4.90 118.68 117.61 1v4r s LEU 86 Ca 0.24 -0.38 -0.25 0.00 -0.22 0.00 0.00 54.13 53.53 1v4r s LEU 86 Cb 0.20 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1v4r s LEU 86 CO 0.50 -0.18 0.77 -0.75 -1.32 0.00 0.00 176.35 175.37 1v4r s LYS 87 N 1.69 4.47 0.33 1.98 2.20 -1.26 -4.90 119.74 124.25 1v4r s LYS 87 Ca 0.06 1.02 -0.05 0.00 -0.36 0.00 0.00 55.97 56.64 1v4r s LYS 87 Cb -0.17 -3.45 0.08 0.00 -1.51 0.00 0.00 37.83 32.78 1v4r s LYS 87 CO 0.09 0.05 0.45 0.54 -0.36 0.00 0.00 175.35 176.12 1v4r n ARG 88 N 3.77 -0.32 -0.12 4.03 1.74 -1.26 -5.05 116.66 119.45 1v4r n ARG 88 Ca 0.00 -0.77 -0.24 0.00 -0.77 0.00 0.00 57.85 56.08 1v4r n ARG 88 Cb 0.51 -0.44 -0.09 0.00 -1.02 0.00 0.00 32.46 31.42 1v4r n ARG 88 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1v4r n MET 89 N -1.94 0.57 0.03 5.56 2.81 -1.26 -4.57 117.12 118.32 1v4r n MET 89 Ca 0.06 0.35 -0.10 0.00 -1.81 0.00 0.00 57.70 56.19 1v4r n MET 89 Cb 0.21 -1.56 0.03 0.00 -0.71 0.00 0.00 33.22 31.19 1v4r n MET 89 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1v4r h GLU 90 N -1.00 0.48 -4.44 0.03 9.09 -2.05 -3.40 114.58 113.29 1v4r h GLU 90 Ca -0.48 -0.36 -0.71 0.00 0.05 0.00 0.00 59.36 57.86 1v4r h GLU 90 Cb 1.39 0.06 -0.30 0.00 -1.65 0.00 0.00 28.75 28.25 1v4r h GLU 90 CO -0.29 0.98 -0.48 0.21 0.05 0.00 0.00 179.01 179.48 1v4r s LYS 91 N -3.76 2.40 -0.52 1.06 2.20 -1.26 -5.03 119.74 114.83 1v4r s LYS 91 Ca -0.07 -1.62 -0.11 0.00 -0.36 0.00 0.00 55.97 53.81 1v4r s LYS 91 Cb 0.11 -3.73 0.13 0.00 -1.51 0.00 0.00 37.83 32.83 1v4r s LYS 91 CO 0.84 -1.03 0.42 -0.80 -0.36 0.00 0.00 175.35 174.42 1v4r s ASN 92 N 2.15 5.87 0.03 1.43 0.01 -1.26 -4.02 114.94 119.14 1v4r s ASN 92 Ca 0.05 -2.01 0.17 0.00 -0.71 0.00 0.00 52.86 50.36 1v4r s ASN 92 Cb -0.24 -2.06 -0.16 0.00 0.41 0.00 0.00 41.25 39.21 1v4r s ASN 92 CO -0.01 -0.70 0.76 0.61 -1.51 0.00 0.00 177.10 176.25 1v4r n GLY 93 N 4.82 -1.16 3.92 0.66 0.00 -1.26 -4.94 105.19 107.23 1v4r n GLY 93 Ca -0.07 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1v4r n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1v4r s MET 94 N -2.89 2.53 0.77 1.61 -2.45 -1.26 -5.11 119.30 112.51 1v4r s MET 94 Ca -0.04 -1.55 -0.10 0.00 -1.25 0.00 0.00 55.69 52.75 1v4r s MET 94 Cb 0.09 -2.44 0.06 0.00 1.25 0.00 0.00 34.83 33.78 1v4r s MET 94 CO 0.82 -0.32 1.09 1.03 1.05 0.00 0.00 175.02 178.69 1v4r s ARG 95 N -4.24 2.24 0.24 4.11 0.52 -1.26 -5.07 118.95 115.49 1v4r s ARG 95 Ca 0.49 1.17 0.03 0.00 -0.52 0.00 0.00 55.73 56.90 1v4r s ARG 95 Cb -0.05 -1.90 -0.05 0.00 0.52 0.00 0.00 34.95 33.48 1v4r s ARG 95 CO 0.29 -1.65 0.02 1.52 0.02 0.00 0.00 175.30 175.50 1v4r s TYR 96 N -2.90 1.57 -0.45 -0.53 1.13 -1.26 -5.11 117.35 109.79 1v4r s TYR 96 Ca 0.61 -0.98 -0.28 0.00 -1.41 0.00 0.00 57.07 55.01 1v4r s TYR 96 Cb -0.17 -0.92 0.03 0.00 -1.10 0.00 0.00 41.96 39.79 1v4r s TYR 96 CO 0.56 -0.11 1.04 0.00 -2.51 0.00 0.00 175.55 174.54 1v4r s ALA 97 N -3.49 3.23 -0.33 9.51 0.00 -1.26 -4.90 121.76 124.51 1v4r s ALA 97 Ca 0.31 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1v4r s ALA 97 Cb 0.06 -3.77 0.28 0.00 0.00 0.00 0.00 23.12 19.70 1v4r s ALA 97 CO 0.10 -2.08 1.25 -0.35 0.00 0.00 0.00 175.76 174.67 1v4r n PRO 98 N 7.46 1.79 0.00 0.00 -0.04 -1.26 -4.55 135.00 138.40 1v4r n PRO 98 Ca 0.10 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1v4r n PRO 98 Cb 0.49 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1v4r n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1v4r n GLY 99 N -0.03 1.57 3.51 0.55 0.00 -1.26 -5.37 105.19 104.16 1v4r n GLY 99 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1v4r n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11