#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 3.78 0.35 0.03 0.02 -1.26 -4.85 135.00 133.07 1v4r s PRO 2 Ca 0.00 1.78 -0.26 0.00 0.02 0.00 0.00 61.00 62.54 1v4r s PRO 2 Cb 0.00 -4.07 -0.09 0.00 0.02 0.00 0.00 34.50 30.36 1v4r s PRO 2 CO 0.00 -1.32 1.06 1.52 -0.33 0.00 0.00 177.00 177.93 1v4r s TYR 3 N 5.35 3.40 -0.15 6.54 1.13 -1.26 -4.80 117.35 127.56 1v4r s TYR 3 Ca 0.75 1.67 -0.16 0.00 -1.41 0.00 0.00 57.07 57.92 1v4r s TYR 3 Cb -0.27 -3.17 -0.04 0.00 -1.10 0.00 0.00 41.96 37.37 1v4r s TYR 3 CO 0.31 -0.55 0.41 0.15 -2.51 0.00 0.00 175.55 173.35 1v4r s LYS 4 N -2.09 4.27 -0.13 -3.49 1.02 -1.26 -5.02 119.74 113.04 1v4r s LYS 4 Ca 0.53 0.29 -0.29 0.00 0.02 0.00 0.00 55.97 56.51 1v4r s LYS 4 Cb -0.25 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 1v4r s LYS 4 CO 0.32 0.12 1.57 0.00 -0.92 0.00 0.00 175.35 176.44 1v4r s ALA 5 N 0.79 3.51 0.47 5.17 0.00 -1.26 -4.20 121.76 126.24 1v4r s ALA 5 Ca 0.21 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 1v4r s ALA 5 Cb -0.14 -3.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1v4r s ALA 5 CO 0.08 -1.54 0.76 -1.25 0.00 0.00 0.00 175.76 173.81 1v4r s PRO 6 N 4.15 3.47 -0.36 0.00 0.04 -1.26 -5.04 135.00 136.00 1v4r s PRO 6 Ca 0.69 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1v4r s PRO 6 Cb -0.28 -2.41 0.12 0.00 0.04 0.00 0.00 34.50 31.96 1v4r s PRO 6 CO 0.26 -0.20 0.16 -1.21 0.04 0.00 0.00 177.00 176.05 1v4r s GLU 7 N -4.70 0.92 -0.50 4.56 2.02 -1.26 -4.79 118.70 114.95 1v4r s GLU 7 Ca 0.47 -1.45 -0.03 0.00 0.02 0.00 0.00 54.97 53.98 1v4r s GLU 7 Cb -0.10 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1v4r s GLU 7 CO 0.44 -1.07 0.36 0.41 0.02 0.00 0.00 175.26 175.42 1v4r n GLY 8 N 4.29 0.38 3.36 -1.39 0.00 -1.26 -5.01 105.19 105.56 1v4r n GLY 8 Ca 0.03 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1v4r n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1v4r s LYS 9 N -5.31 2.79 0.00 1.61 2.47 -1.26 -5.07 119.74 114.96 1v4r s LYS 9 Ca 0.18 -1.18 0.00 0.00 -1.56 0.00 0.00 55.97 53.41 1v4r s LYS 9 Cb -0.08 -3.78 0.00 0.00 -1.46 0.00 0.00 37.83 32.51 1v4r s LYS 9 CO 0.22 -0.78 0.00 0.41 0.16 0.00 0.00 175.35 175.36 1v4r n GLY 10 N 5.00 0.64 0.00 5.54 0.00 -1.26 -4.79 105.19 110.32 1v4r n GLY 10 Ca -0.11 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.21 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 0.15 1.61 4.11 -1.26 -3.47 117.16 118.30 1v4r n TYR 11 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.93 1v4r n TYR 11 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 39.34 39.47 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 3.14 0.76 0.01 -3.48 0.00 -1.92 0.20 119.26 117.98 1v4r h ALA 12 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1v4r h ALA 12 Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.73 1v4r h ALA 12 CO 0.00 0.60 -1.03 0.22 0.00 0.00 0.00 179.25 179.04 1v4r h ASP 13 N 0.00 0.79 1.26 0.00 3.58 -1.94 -3.02 116.42 117.09 1v4r h ASP 13 Ca -0.00 -0.65 -0.08 0.00 0.42 0.00 0.00 57.03 56.72 1v4r h ASP 13 Cb 1.24 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1v4r h ASP 13 CO 0.06 1.45 -0.77 -0.37 -2.88 0.00 0.00 179.24 176.73 1v4r h VAL 14 N 0.34 0.38 0.00 2.25 -1.51 -1.77 -1.08 116.25 114.87 1v4r h VAL 14 Ca -0.12 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.73 1v4r h VAL 14 Cb 1.68 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.85 1v4r h VAL 14 CO 0.20 0.22 0.00 0.00 -1.23 0.00 0.00 177.57 176.75 1v4r n ALA 15 N -2.24 1.45 -0.06 5.19 0.00 0.70 -1.72 120.51 123.84 1v4r n ALA 15 Ca -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 1v4r n ALA 15 Cb 0.68 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.69 1v4r n ALA 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1v4r n THR 16 N -2.06 0.81 0.33 0.00 -1.04 -1.09 -4.59 114.28 106.63 1v4r n THR 16 Ca 0.01 -0.61 0.21 0.00 -2.04 0.00 0.00 64.05 61.63 1v4r n THR 16 Cb 0.15 -0.39 1.13 0.00 -1.82 0.00 0.00 70.33 69.40 1v4r n THR 16 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1v4r h HIS 17 N 0.00 0.00 -0.46 -1.42 2.76 -0.31 -2.08 115.15 113.63 1v4r h HIS 17 Ca -0.32 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 57.90 1v4r h HIS 17 Cb 1.67 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.60 1v4r h HIS 17 CO 0.00 0.00 0.31 0.27 -1.30 0.00 0.00 177.93 177.21 1v4r h PHE 18 N 0.00 0.42 0.00 5.26 -0.00 -1.80 -1.23 116.94 119.60 1v4r h PHE 18 Ca -0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 57.97 57.93 1v4r h PHE 18 Cb 0.03 -0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 35.83 1v4r h PHE 18 CO 0.00 0.24 -0.24 0.07 -0.00 0.00 0.00 178.31 178.37 1v4r h ARG 19 N 0.43 0.00 -0.39 6.09 0.11 -1.71 0.31 114.38 119.22 1v4r h ARG 19 Ca 0.20 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.21 1v4r h ARG 19 Cb 0.24 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.31 1v4r h ARG 19 CO -0.05 0.24 -0.05 1.15 0.10 0.00 0.00 179.97 181.37 1v4r h THR 20 N 0.00 1.23 0.02 0.08 2.02 -1.39 -2.36 112.91 112.51 1v4r h THR 20 Ca -0.00 -0.97 -0.30 0.00 0.77 0.00 0.00 66.41 65.91 1v4r h THR 20 Cb 0.60 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1v4r h THR 20 CO 0.03 0.33 -1.63 0.18 0.37 0.00 0.00 175.52 174.80 1v4r n LEU 21 N -4.22 2.03 0.08 2.58 7.99 -0.34 -4.10 117.00 121.03 1v4r n LEU 21 Ca 0.02 0.36 0.09 0.00 -0.01 0.00 0.00 56.01 56.46 1v4r n LEU 21 Cb 0.30 -0.97 0.39 0.00 -0.11 0.00 0.00 43.42 43.03 1v4r n LEU 21 CO 0.41 0.44 0.77 -0.38 -1.51 0.00 0.00 177.39 177.12 1v4r n ILE 22 N -4.22 1.04 0.00 -0.08 2.08 0.94 -0.77 119.36 118.35 1v4r n ILE 22 Ca -0.36 0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1v4r n ILE 22 Cb 0.78 -1.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.45 1v4r n ILE 22 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1v4r n LYS 23 N -1.91 0.00 -0.01 0.38 0.00 -0.89 -4.61 118.16 111.12 1v4r n LYS 23 Ca 0.02 0.45 -0.01 0.00 0.00 0.00 0.00 58.31 58.77 1v4r n LYS 23 Cb 0.16 -1.15 -0.01 0.00 0.00 0.00 0.00 35.03 34.03 1v4r n LYS 23 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1v4r n SER 24 N -1.34 4.42 0.00 3.14 3.41 -1.26 -5.00 113.62 117.00 1v4r n SER 24 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1v4r n SER 24 Cb 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1v4r n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v4r n GLY 25 N 3.00 0.00 0.31 5.00 0.00 -1.25 -4.99 105.19 107.25 1v4r n GLY 25 Ca -0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.18 1v4r n GLY 25 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1v4r h GLU 26 N 0.00 0.00 -3.12 1.61 9.09 -1.80 -2.46 114.58 117.89 1v4r h GLU 26 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.79 1v4r h GLU 26 Cb 0.00 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 26.69 1v4r h GLU 26 CO 0.00 0.02 -0.62 -1.17 0.05 0.00 0.00 179.01 177.30 1v4r s LEU 27 N -6.51 4.39 0.32 3.06 2.96 0.05 -4.93 118.68 118.02 1v4r s LEU 27 Ca -0.03 -3.52 -0.28 0.00 -0.22 0.00 0.00 54.13 50.08 1v4r s LEU 27 Cb 0.12 -1.54 -0.09 0.00 0.50 0.00 0.00 46.19 45.18 1v4r s LEU 27 CO 0.49 -0.14 1.12 0.00 -1.32 0.00 0.00 176.35 176.50 1v4r s ALA 28 N -0.97 3.34 -0.11 5.97 0.00 -0.93 -4.56 121.76 124.50 1v4r s ALA 28 Ca 0.23 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 1v4r s ALA 28 Cb -0.11 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1v4r s ALA 28 CO -0.11 -0.26 1.14 -2.14 0.00 0.00 0.00 175.76 174.39 1v4r s PRO 29 N -1.73 4.34 0.00 0.00 0.02 -1.25 -2.48 135.00 133.90 1v4r s PRO 29 Ca 0.48 1.56 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1v4r s PRO 29 Cb -0.31 -3.60 0.00 0.00 0.02 0.00 0.00 34.50 30.61 1v4r s PRO 29 CO 0.40 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 1v4r n GLY 30 N 3.34 0.65 3.49 0.52 0.00 0.20 -4.92 105.19 108.46 1v4r n GLY 30 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.40 3.75 0.16 1.61 2.15 -1.03 -4.92 116.67 115.99 1v4r s ASP 31 Ca 0.00 -0.84 -0.27 0.00 0.43 0.00 0.00 52.55 51.87 1v4r s ASP 31 Cb 0.00 -0.41 -0.08 0.00 -0.30 0.00 0.00 42.92 42.13 1v4r s ASP 31 CO 0.00 0.08 0.84 0.42 -0.17 0.00 0.00 175.17 176.34 1v4r s THR 32 N -2.00 4.35 0.51 1.71 -4.23 -1.26 0.39 115.64 115.10 1v4r s THR 32 Ca 0.25 1.83 -0.19 0.00 -1.18 0.00 0.00 61.69 62.41 1v4r s THR 32 Cb -0.07 -4.21 -0.07 0.00 1.34 0.00 0.00 72.50 69.49 1v4r s THR 32 CO 0.13 0.48 1.04 -1.48 -0.54 0.00 0.00 174.62 174.25 1v4r s LEU 33 N -0.90 3.77 0.86 4.79 2.34 -0.47 -4.81 118.68 124.26 1v4r s LEU 33 Ca 0.39 1.89 -0.12 0.00 0.06 0.00 0.00 54.13 56.35 1v4r s LEU 33 Cb -0.24 -4.55 0.11 0.00 -0.56 0.00 0.00 46.19 40.95 1v4r s LEU 33 CO 0.28 -0.85 1.13 -2.16 -1.06 0.00 0.00 176.35 173.68 1v4r s PRO 34 N -3.43 1.55 1.00 1.48 0.04 -1.26 -4.83 135.00 129.55 1v4r s PRO 34 Ca 0.66 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.91 1v4r s PRO 34 Cb -0.16 -1.88 0.24 0.00 0.04 0.00 0.00 34.50 32.74 1v4r s PRO 34 CO 0.24 -1.94 1.18 0.45 0.04 0.00 0.00 177.00 176.97 1v4r n SER 35 N -3.60 -0.59 0.30 6.66 2.88 -1.26 -4.91 113.62 113.11 1v4r n SER 35 Ca 0.07 -1.35 0.20 0.00 -1.33 0.00 0.00 58.87 56.46 1v4r n SER 35 Cb 0.58 -0.96 1.03 0.00 -0.75 0.00 0.00 64.21 64.12 1v4r n SER 35 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1v4r h VAL 36 N -2.03 0.00 -0.36 2.46 -1.51 -1.97 -2.82 116.25 110.02 1v4r h VAL 36 Ca -0.40 -0.10 -0.16 0.00 -1.23 0.00 0.00 66.70 64.81 1v4r h VAL 36 Cb 1.14 1.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1v4r h VAL 36 CO 0.28 0.00 -0.41 0.00 -1.23 0.00 0.00 177.57 176.21 1v4r h ALA 37 N 2.01 0.58 0.37 5.19 0.00 -1.95 -2.22 119.26 123.24 1v4r h ALA 37 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1v4r h ALA 37 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1v4r h ALA 37 CO 0.00 0.68 -0.18 -0.44 0.00 0.00 0.00 179.25 179.31 1v4r h ASP 38 N 0.73 -0.42 -1.00 0.00 5.19 -1.85 0.70 116.42 119.77 1v4r h ASP 38 Ca 0.05 -0.12 0.05 0.00 -0.62 0.00 0.00 57.03 56.39 1v4r h ASP 38 Cb 1.00 0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.56 1v4r h ASP 38 CO 0.10 -0.10 0.65 0.40 -3.12 0.00 0.00 179.24 177.17 1v4r h ILE 39 N -0.78 1.14 0.00 0.35 5.03 -1.69 -1.77 117.51 119.78 1v4r h ILE 39 Ca -0.05 -0.42 -0.17 0.00 -0.12 0.00 0.00 64.86 64.10 1v4r h ILE 39 Cb 0.52 -0.19 -0.02 0.00 -3.03 0.00 0.00 36.82 34.10 1v4r h ILE 39 CO 0.08 0.22 -0.82 -0.09 -0.68 0.00 0.00 178.15 176.87 1v4r h ARG 40 N 1.22 0.00 0.04 2.37 1.12 -1.30 0.35 114.38 118.18 1v4r h ARG 40 Ca 0.41 0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 59.03 1v4r h ARG 40 Cb 0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.01 1v4r h ARG 40 CO -0.14 0.82 -1.26 0.00 -3.11 0.00 0.00 179.97 176.28 1v4r h ALA 41 N 1.18 0.38 0.11 2.80 0.00 -0.56 -3.30 119.26 119.87 1v4r h ALA 41 Ca -0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 1v4r h ALA 41 Cb 1.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1v4r h ALA 41 CO 0.11 1.25 -0.05 1.96 0.00 0.00 0.00 179.25 182.52 1v4r h GLN 42 N 0.02 -0.14 -5.39 0.00 4.20 -1.36 -3.37 115.11 109.07 1v4r h GLN 42 Ca -0.12 0.01 -0.65 0.00 0.06 0.00 0.00 58.65 57.95 1v4r h GLN 42 Cb 1.89 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 29.55 1v4r h GLN 42 CO 0.14 -0.09 0.11 -0.06 -0.67 0.00 0.00 178.83 178.25 1v4r s PHE 43 N -1.96 3.09 -0.79 2.96 0.40 0.11 -4.79 117.98 117.00 1v4r s PHE 43 Ca -0.02 0.03 -0.23 0.00 -0.60 0.00 0.00 56.93 56.11 1v4r s PHE 43 Cb 0.00 -3.26 -0.17 0.00 0.51 0.00 0.00 43.02 40.10 1v4r s PHE 43 CO 0.06 -0.80 2.38 0.41 0.70 0.00 0.00 175.22 177.98 1v4r n GLY 44 N 4.95 -0.18 3.16 4.36 0.00 -1.25 -3.96 105.19 112.27 1v4r n GLY 44 Ca -0.02 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 1v4r n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v4r n VAL 45 N 7.96 0.00 -2.44 1.61 0.24 -1.24 -4.46 118.33 119.99 1v4r n VAL 45 Ca 0.50 -2.38 -0.24 0.00 -2.04 0.00 0.00 64.34 60.18 1v4r n VAL 45 Cb 0.37 1.15 0.09 0.00 -1.47 0.00 0.00 33.84 33.98 1v4r n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1v4r s ALA 46 N -3.30 3.47 0.10 2.33 0.00 -1.26 -4.87 121.76 118.22 1v4r s ALA 46 Ca 0.37 -1.42 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 1v4r s ALA 46 Cb 0.02 -2.23 -0.17 0.00 0.00 0.00 0.00 23.12 20.74 1v4r s ALA 46 CO 0.26 -1.39 1.23 0.00 0.00 0.00 0.00 175.76 175.86 1v4r h ALA 47 N -0.55 0.23 0.00 0.00 0.00 -1.98 -2.64 119.26 114.32 1v4r h ALA 47 Ca -0.40 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1v4r h ALA 47 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1v4r h ALA 47 CO 0.46 0.78 0.00 0.36 0.00 0.00 0.00 179.25 180.86 1v4r n LYS 48 N -3.76 0.23 -0.03 0.00 -0.00 -1.26 -2.94 118.16 110.40 1v4r n LYS 48 Ca -0.09 0.28 -0.16 0.00 -0.00 0.00 0.00 58.31 58.34 1v4r n LYS 48 Cb 0.89 -1.82 -0.08 0.00 -0.00 0.00 0.00 35.03 34.02 1v4r n LYS 48 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1v4r h THR 49 N 0.00 1.33 0.40 0.58 2.02 -1.87 -1.80 112.91 113.58 1v4r h THR 49 Ca 0.00 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 1v4r h THR 49 Cb 0.60 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 1v4r h THR 49 CO 0.00 0.57 -0.45 0.58 0.37 0.00 0.00 175.52 176.59 1v4r h VAL 50 N 0.31 0.00 -0.14 3.16 2.07 -1.37 -2.15 116.25 118.14 1v4r h VAL 50 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1v4r h VAL 50 Cb 1.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1v4r h VAL 50 CO 0.12 0.00 0.16 -1.28 0.02 0.00 0.00 177.57 176.59 1v4r h SER 51 N -0.86 0.00 -0.03 0.57 0.87 -1.60 -1.70 113.55 110.79 1v4r h SER 51 Ca -0.05 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1v4r h SER 51 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1v4r h SER 51 CO -0.08 0.00 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.01 1v4r h ARG 52 N 0.00 0.14 -0.08 2.24 2.43 -0.81 -3.00 114.38 115.31 1v4r h ARG 52 Ca 0.06 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1v4r h ARG 52 Cb 0.38 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1v4r h ARG 52 CO -0.00 0.75 -0.13 0.00 -1.51 0.00 0.00 179.97 179.08 1v4r h ALA 53 N 0.39 1.63 -0.17 2.80 0.00 -0.83 -1.88 119.26 121.20 1v4r h ALA 53 Ca -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1v4r h ALA 53 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1v4r h ALA 53 CO 0.03 0.27 0.13 -0.07 0.00 0.00 0.00 179.25 179.61 1v4r h LEU 54 N 0.12 0.00 -1.29 0.00 3.38 -1.19 0.47 115.31 116.79 1v4r h LEU 54 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1v4r h LEU 54 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1v4r h LEU 54 CO 0.02 0.00 -0.34 0.00 0.09 0.00 0.00 178.44 178.21 1v4r h ALA 55 N 1.90 1.32 0.04 1.53 0.00 -1.24 -1.84 119.26 120.98 1v4r h ALA 55 Ca 0.08 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 1v4r h ALA 55 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1v4r h ALA 55 CO -0.00 0.43 -1.42 0.28 0.00 0.00 0.00 179.25 178.54 1v4r h VAL 56 N 0.00 1.23 0.00 0.00 2.07 -0.85 -3.32 116.25 115.39 1v4r h VAL 56 Ca -0.00 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 64.55 1v4r h VAL 56 Cb 0.65 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1v4r h VAL 56 CO 0.04 0.77 0.00 0.18 0.02 0.00 0.00 177.57 178.58 1v4r n LEU 57 N -3.29 0.00 0.25 2.57 4.32 0.14 -1.13 117.00 119.85 1v4r n LEU 57 Ca -0.11 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.73 1v4r n LEU 57 Cb 1.01 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.74 1v4r n LEU 57 CO 0.47 0.00 0.51 0.11 -1.22 0.00 0.00 177.39 177.26 1v4r h LYS 58 N 0.00 -0.63 0.08 3.23 1.57 -1.46 0.29 116.57 119.64 1v4r h LYS 58 Ca 0.00 0.04 -0.37 0.00 -1.87 0.00 0.00 60.65 58.45 1v4r h LYS 58 Cb 0.00 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1v4r h LYS 58 CO 0.00 -0.33 -2.16 0.43 -0.57 0.00 0.00 179.45 176.83 1v4r n SER 59 N -5.27 2.07 -0.02 0.86 7.64 -1.12 -2.47 113.62 115.32 1v4r n SER 59 Ca -0.11 0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.74 1v4r n SER 59 Cb 0.31 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.70 1v4r n SER 59 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1v4r h GLU 60 N -0.01 -0.05 0.00 1.43 4.57 -1.31 -3.33 114.58 115.89 1v4r h GLU 60 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1v4r h GLU 60 Cb 1.96 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.56 1v4r h GLU 60 CO 0.01 0.58 -0.57 0.41 -1.18 0.00 0.00 179.01 178.25 1v4r n GLY 61 N 0.74 -1.36 2.62 1.92 0.00 -0.83 -4.94 105.19 103.33 1v4r n GLY 61 Ca -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.90 -5.08 -4.11 0.99 4.77 0.95 -4.92 117.00 107.71 1v4r n LEU 62 Ca 0.04 -0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 55.73 1v4r n LEU 62 Cb 0.40 -2.53 -0.10 0.00 -2.33 0.00 0.00 43.42 38.86 1v4r n LEU 62 CO 0.36 -0.52 -0.38 0.68 -1.33 0.00 0.00 177.39 176.19 1v4r s VAL 63 N -3.08 0.53 -0.46 4.08 -7.23 -0.80 -4.24 120.40 109.19 1v4r s VAL 63 Ca 0.10 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1v4r s VAL 63 Cb -0.01 -1.25 0.12 0.00 0.56 0.00 0.00 36.38 35.80 1v4r s VAL 63 CO 0.52 -0.73 0.22 -0.55 -0.31 0.00 0.00 175.10 174.25 1v4r s SER 64 N -2.49 4.89 -0.48 4.85 0.15 0.51 -4.45 113.70 116.67 1v4r s SER 64 Ca 0.03 -2.48 -0.25 0.00 0.70 0.00 0.00 55.95 53.95 1v4r s SER 64 Cb 0.00 -1.73 0.03 0.00 -1.71 0.00 0.00 66.02 62.61 1v4r s SER 64 CO -0.04 -0.39 0.95 -0.55 1.20 0.00 0.00 173.24 174.41 1v4r s SER 65 N 0.81 6.48 -0.39 5.45 0.15 -1.26 -1.27 113.70 123.68 1v4r s SER 65 Ca 0.13 0.05 -0.10 0.00 0.70 0.00 0.00 55.95 56.73 1v4r s SER 65 Cb -0.22 -2.46 0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1v4r s SER 65 CO -0.04 -1.11 0.22 -0.13 1.20 0.00 0.00 173.24 173.38 1v4r s ARG 66 N 3.87 2.75 0.00 5.44 1.81 -0.32 -4.97 118.95 127.52 1v4r s ARG 66 Ca 0.37 -1.20 -0.04 0.00 -1.72 0.00 0.00 55.73 53.14 1v4r s ARG 66 Cb -0.10 -3.73 -0.17 0.00 -0.45 0.00 0.00 34.95 30.50 1v4r s ARG 66 CO 0.25 -0.77 2.78 0.41 -0.68 0.00 0.00 175.30 177.29 1v4r n GLY 67 N 4.96 2.58 2.07 -3.53 0.00 -1.26 -0.65 105.19 109.35 1v4r n GLY 67 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 2.29 0.00 0.05 4.61 0.00 -1.26 -4.93 120.51 121.27 1v4r n ALA 68 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 1v4r n ALA 68 Cb 0.69 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.00 1v4r n ALA 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1v4r h LEU 69 N 0.00 0.40 0.00 0.00 5.85 -1.99 -3.50 115.31 116.07 1v4r h LEU 69 Ca 0.00 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1v4r h LEU 69 Cb 0.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1v4r h LEU 69 CO 0.00 1.52 0.00 0.61 -0.34 0.00 0.00 178.44 180.23 1v4r n GLY 70 N 1.73 2.00 3.50 3.75 0.00 0.17 -5.03 105.19 111.32 1v4r n GLY 70 Ca -0.20 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 1v4r n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v4r s THR 71 N -1.46 4.46 -0.05 2.61 -4.23 -1.26 -1.18 115.64 114.54 1v4r s THR 71 Ca 0.00 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1v4r s THR 71 Cb 0.00 -4.52 -0.03 0.00 1.34 0.00 0.00 72.50 69.29 1v4r s THR 71 CO 0.00 -1.11 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.12 1v4r s VAL 72 N 3.76 2.99 -0.89 2.29 1.01 -0.39 -1.37 120.40 127.80 1v4r s VAL 72 Ca 0.27 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 1v4r s VAL 72 Cb -0.14 -2.17 0.14 0.00 0.00 0.00 0.00 36.38 34.21 1v4r s VAL 72 CO 0.17 0.59 1.06 -0.69 0.00 0.00 0.00 175.10 176.23 1v4r s VAL 73 N -0.71 4.81 -0.04 2.92 1.01 0.16 -0.36 120.40 128.19 1v4r s VAL 73 Ca 0.11 -1.58 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 1v4r s VAL 73 Cb -0.11 -4.73 -0.05 0.00 0.00 0.00 0.00 36.38 31.49 1v4r s VAL 73 CO 0.00 -1.43 0.36 -1.61 0.00 0.00 0.00 175.10 172.42 1v4r s GLU 74 N 2.48 3.89 -1.07 2.72 0.41 -1.26 0.58 118.70 126.44 1v4r s GLU 74 Ca 0.30 0.30 -0.23 0.00 -0.41 0.00 0.00 54.97 54.93 1v4r s GLU 74 Cb -0.07 -3.24 -0.05 0.00 -1.78 0.00 0.00 34.13 28.99 1v4r s GLU 74 CO -0.08 0.65 1.89 0.21 -0.49 0.00 0.00 175.26 177.44 1v4r s LYS 75 N -0.88 2.71 0.33 1.61 2.36 -1.26 -3.92 119.74 120.69 1v4r s LYS 75 Ca 0.22 -0.89 -0.29 0.00 -2.55 0.00 0.00 55.97 52.46 1v4r s LYS 75 Cb -0.16 -5.21 -0.10 0.00 -1.05 0.00 0.00 37.83 31.32 1v4r s LYS 75 CO 0.11 -3.49 1.28 -0.80 1.55 0.00 0.00 175.35 174.00 1v4r s ASN 76 N 6.81 6.83 -0.24 1.43 0.01 -1.26 -4.98 114.94 123.53 1v4r s ASN 76 Ca 0.66 2.62 -0.29 0.00 -0.71 0.00 0.00 52.86 55.15 1v4r s ASN 76 Cb -0.03 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.99 1v4r s ASN 76 CO 0.06 -0.49 1.17 -2.84 -1.51 0.00 0.00 177.10 173.49 1v4r s PRO 77 N -1.77 4.14 -0.11 -0.60 0.02 -1.26 -4.88 135.00 130.54 1v4r s PRO 77 Ca 0.49 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 1v4r s PRO 77 Cb -0.38 -3.75 -0.08 0.00 0.02 0.00 0.00 34.50 30.31 1v4r s PRO 77 CO 0.51 -0.81 2.09 1.51 -0.33 0.00 0.00 177.00 179.96 1v4r n ILE 78 N 5.64 0.53 -2.70 2.83 0.00 -1.26 -3.85 119.36 120.54 1v4r n ILE 78 Ca 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 62.75 62.55 1v4r n ILE 78 Cb 0.46 -2.34 0.00 0.00 0.00 0.00 0.00 39.64 37.76 1v4r n ILE 78 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1v4r n VAL 79 N 6.56 -0.58 -2.93 9.51 0.24 -1.26 -4.79 118.33 125.09 1v4r n VAL 79 Ca 0.26 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.13 1v4r n VAL 79 Cb 0.40 -0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 32.20 1v4r n VAL 79 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1v4r s ILE 80 N -2.13 4.55 -0.12 1.34 -1.09 -1.25 -4.78 121.20 117.73 1v4r s ILE 80 Ca 0.00 0.26 0.15 0.00 -2.23 0.00 0.00 60.65 58.83 1v4r s ILE 80 Cb -0.00 -4.42 -0.22 0.00 -1.58 0.00 0.00 42.46 36.24 1v4r s ILE 80 CO 0.16 -0.91 0.15 0.35 -1.23 0.00 0.00 174.94 173.46 1v4r n THR 81 N 6.11 0.76 -0.71 2.92 -2.24 -1.26 -4.89 114.28 114.98 1v4r n THR 81 Ca 0.01 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1v4r n THR 81 Cb 0.48 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1v4r n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v4r n GLY 82 N 1.88 1.74 5.02 3.38 0.00 -1.26 -2.96 105.19 112.98 1v4r n GLY 82 Ca -0.19 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1v4r n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v4r n ALA 83 N -3.00 0.00 -0.09 4.61 0.00 -1.26 -1.96 120.51 118.81 1v4r n ALA 83 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1v4r n ALA 83 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1v4r n ALA 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1v4r n ASP 84 N 0.52 1.46 0.04 0.00 2.03 -1.26 -1.92 116.55 117.42 1v4r n ASP 84 Ca 0.00 -0.04 0.12 0.00 0.52 0.00 0.00 54.79 55.39 1v4r n ASP 84 Cb 0.00 0.47 0.12 0.00 -0.72 0.00 0.00 41.12 40.99 1v4r n ASP 84 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1v4r n ARG 85 N -2.79 0.26 -3.84 -0.67 1.74 -0.83 -4.49 116.66 106.05 1v4r n ARG 85 Ca -0.30 0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.48 1v4r n ARG 85 Cb 0.98 -1.63 -0.12 0.00 -1.02 0.00 0.00 32.46 30.67 1v4r n ARG 85 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1v4r s LEU 86 N -4.00 4.95 0.04 0.55 1.43 -1.16 -4.90 118.68 115.60 1v4r s LEU 86 Ca 0.06 -2.56 0.00 0.00 -1.03 0.00 0.00 54.13 50.60 1v4r s LEU 86 Cb 0.14 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1v4r s LEU 86 CO 0.75 -0.39 0.00 0.29 0.23 0.00 0.00 176.35 177.23 1v4r n LYS 87 N 3.82 0.00 0.00 1.70 5.02 -1.26 -4.08 118.16 123.36 1v4r n LYS 87 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1v4r n LYS 87 Cb 0.38 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 1v4r n LYS 87 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1v4r n ARG 88 N -2.84 0.00 -3.53 1.97 1.74 -1.26 -4.38 116.66 108.36 1v4r n ARG 88 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1v4r n ARG 88 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1v4r n ARG 88 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1v4r s MET 89 N 0.00 0.72 0.00 5.56 0.00 -1.26 -5.01 119.30 119.31 1v4r s MET 89 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 55.69 55.57 1v4r s MET 89 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 34.83 35.16 1v4r s MET 89 CO 0.00 -0.29 0.00 -1.91 0.00 0.00 0.00 175.02 172.82 1v4r n GLU 90 N 0.12 0.00 -3.14 4.11 2.13 -1.26 -4.83 120.64 117.77 1v4r n GLU 90 Ca -0.09 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.33 1v4r n GLU 90 Cb 0.60 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.24 1v4r n GLU 90 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1v4r s LYS 91 N 0.00 4.10 -0.11 5.31 -2.85 -1.26 -5.04 119.74 119.89 1v4r s LYS 91 Ca 0.00 0.49 0.00 0.00 -1.00 0.00 0.00 55.97 55.46 1v4r s LYS 91 Cb 0.00 -3.65 0.02 0.00 -2.06 0.00 0.00 37.83 32.14 1v4r s LYS 91 CO 0.00 -0.40 -0.10 0.54 0.10 0.00 0.00 175.35 175.49 1v4r s ASN 92 N 1.49 2.21 0.00 0.03 2.20 -1.26 -4.53 114.94 115.08 1v4r s ASN 92 Ca 0.25 -0.34 0.00 0.00 -0.94 0.00 0.00 52.86 51.83 1v4r s ASN 92 Cb -0.16 -0.91 0.00 0.00 -2.00 0.00 0.00 41.25 38.19 1v4r s ASN 92 CO 0.09 -0.08 0.00 0.61 -2.94 0.00 0.00 177.10 174.78 1v4r n GLY 93 N 4.69 0.68 4.00 0.45 0.00 -0.81 -5.06 105.19 109.14 1v4r n GLY 93 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.21 0.21 1.61 1.75 -1.25 -4.97 119.30 118.86 1v4r s MET 94 Ca 0.00 -1.14 0.07 0.00 -1.25 0.00 0.00 55.69 53.37 1v4r s MET 94 Cb 0.00 -2.50 -0.04 0.00 2.84 0.00 0.00 34.83 35.13 1v4r s MET 94 CO 0.00 -0.96 0.10 1.03 -0.65 0.00 0.00 175.02 174.54 1v4r s ARG 95 N -4.83 2.69 0.43 4.11 0.52 -1.26 -4.79 118.95 115.81 1v4r s ARG 95 Ca 0.61 -1.07 -0.14 0.00 -0.52 0.00 0.00 55.73 54.61 1v4r s ARG 95 Cb -0.07 -2.47 -0.08 0.00 0.52 0.00 0.00 34.95 32.85 1v4r s ARG 95 CO 0.40 0.43 0.84 1.52 0.02 0.00 0.00 175.30 178.52 1v4r s TYR 96 N -1.96 3.44 -0.39 -0.53 1.13 -1.26 -5.01 117.35 112.77 1v4r s TYR 96 Ca 0.31 1.24 -0.29 0.00 -1.41 0.00 0.00 57.07 56.92 1v4r s TYR 96 Cb -0.09 -2.59 0.02 0.00 -1.10 0.00 0.00 41.96 38.20 1v4r s TYR 96 CO 0.22 -0.16 1.19 0.00 -2.51 0.00 0.00 175.55 174.29 1v4r s ALA 97 N -2.38 3.27 -0.47 9.51 0.00 -1.26 -4.89 121.76 125.54 1v4r s ALA 97 Ca 0.55 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1v4r s ALA 97 Cb -0.10 -3.82 0.24 0.00 0.00 0.00 0.00 23.12 19.44 1v4r s ALA 97 CO 0.28 -1.98 1.08 -0.35 0.00 0.00 0.00 175.76 174.79 1v4r n PRO 98 N 7.52 1.86 -1.17 0.00 -0.04 -1.26 -3.37 135.00 138.54 1v4r n PRO 98 Ca 0.13 -0.99 0.01 0.00 -0.04 0.00 0.00 63.50 62.61 1v4r n PRO 98 Cb 0.48 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.10 0.82 0.00 0.55 0.00 -1.26 -5.36 105.19 100.04 1v4r n GLY 99 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1v4r n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11