#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4r n PRO 2 N 0.00 1.48 -2.73 0.03 -0.04 -1.26 -4.93 135.00 127.55 1v4r n PRO 2 Ca 0.00 -0.99 -0.41 0.00 -0.04 0.00 0.00 63.50 62.06 1v4r n PRO 2 Cb 0.00 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1v4r n PRO 2 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1v4r s TYR 3 N -1.13 3.85 -0.85 0.54 2.02 -1.26 -4.86 117.35 115.66 1v4r s TYR 3 Ca 0.19 1.83 -0.20 0.00 -0.37 0.00 0.00 57.07 58.52 1v4r s TYR 3 Cb 0.16 -3.04 0.11 0.00 -0.40 0.00 0.00 41.96 38.78 1v4r s TYR 3 CO 0.01 0.25 1.09 0.21 -1.57 0.00 0.00 175.55 175.54 1v4r s LYS 4 N -0.29 3.44 -0.29 -0.62 2.20 -1.24 -5.00 119.74 117.93 1v4r s LYS 4 Ca 0.46 -1.44 -0.29 0.00 -0.36 0.00 0.00 55.97 54.33 1v4r s LYS 4 Cb -0.24 -4.73 0.01 0.00 -1.51 0.00 0.00 37.83 31.36 1v4r s LYS 4 CO 0.30 -1.81 1.08 0.00 -0.36 0.00 0.00 175.35 174.57 1v4r s ALA 5 N 3.22 3.54 0.74 3.13 0.00 -1.26 -2.88 121.76 128.26 1v4r s ALA 5 Ca 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1v4r s ALA 5 Cb -0.08 -3.65 0.14 0.00 0.00 0.00 0.00 23.12 19.53 1v4r s ALA 5 CO -0.03 -1.38 1.02 -1.25 0.00 0.00 0.00 175.76 174.11 1v4r s PRO 6 N 3.55 1.56 0.00 0.00 0.04 -1.26 -5.06 135.00 133.83 1v4r s PRO 6 Ca 0.46 -1.16 0.00 0.00 0.04 0.00 0.00 61.00 60.33 1v4r s PRO 6 Cb -0.13 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1v4r s PRO 6 CO 0.13 -1.54 0.00 0.39 0.04 0.00 0.00 177.00 176.02 1v4r n GLU 7 N -2.90 0.00 -3.89 4.56 4.71 -1.26 -4.97 120.64 116.90 1v4r n GLU 7 Ca 0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 57.01 1v4r n GLU 7 Cb 0.61 -0.01 -0.15 0.00 -1.01 0.00 0.00 31.44 30.88 1v4r n GLU 7 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1v4r s GLY 8 N -0.06 1.49 0.12 0.62 0.00 -1.26 -5.11 107.32 103.13 1v4r s GLY 8 Ca 0.00 -2.02 0.09 0.00 0.00 0.00 0.00 44.72 42.79 1v4r s GLY 8 CO 0.00 1.22 -0.22 -1.59 0.00 0.00 0.00 173.10 172.51 1v4r s LYS 9 N 1.27 1.24 0.00 2.90 0.00 -1.26 -5.14 119.74 118.74 1v4r s LYS 9 Ca 0.08 -1.27 0.00 0.00 0.00 0.00 0.00 55.97 54.79 1v4r s LYS 9 Cb -0.18 -1.54 0.00 0.00 0.00 0.00 0.00 37.83 36.11 1v4r s LYS 9 CO -0.15 0.35 0.00 0.41 0.00 0.00 0.00 175.35 175.96 1v4r n GLY 10 N 0.88 2.45 0.68 0.59 0.00 -1.26 -4.94 105.19 103.60 1v4r n GLY 10 Ca -0.18 -1.81 -0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 0.02 -0.06 1.61 4.11 -1.26 -4.00 117.16 117.58 1v4r n TYR 11 Ca 0.00 -0.18 -0.22 0.00 -0.00 0.00 0.00 57.90 57.50 1v4r n TYR 11 Cb 0.00 -0.16 -0.12 0.00 -0.00 0.00 0.00 39.34 39.06 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 2.01 0.31 0.00 -3.48 0.00 -1.92 -3.32 119.26 112.86 1v4r h ALA 12 Ca 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 54.91 53.54 1v4r h ALA 12 Cb 0.69 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1v4r h ALA 12 CO 0.01 0.89 -0.57 0.22 0.00 0.00 0.00 179.25 179.79 1v4r h ASP 13 N -0.62 0.00 1.05 0.00 3.58 -1.97 -3.19 116.42 115.27 1v4r h ASP 13 Ca -0.37 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.99 1v4r h ASP 13 Cb 1.56 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.60 1v4r h ASP 13 CO -0.10 0.57 -0.46 1.62 -2.88 0.00 0.00 179.24 178.00 1v4r h VAL 14 N 0.00 0.94 -0.39 2.25 3.04 -1.79 -2.73 116.25 117.57 1v4r h VAL 14 Ca -0.01 -1.87 -0.04 0.00 -1.01 0.00 0.00 66.70 63.77 1v4r h VAL 14 Cb 1.31 2.15 -0.02 0.00 -2.01 0.00 0.00 31.29 32.72 1v4r h VAL 14 CO 0.07 0.45 0.08 0.00 -1.01 0.00 0.00 177.57 177.16 1v4r h ALA 15 N 1.54 1.41 0.00 3.17 0.00 -1.64 -2.44 119.26 121.30 1v4r h ALA 15 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1v4r h ALA 15 Cb 1.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1v4r h ALA 15 CO 0.06 0.43 -0.00 1.15 0.00 0.00 0.00 179.25 180.88 1v4r h THR 16 N 0.56 0.66 -0.32 0.00 2.02 -1.62 -2.38 112.91 111.84 1v4r h THR 16 Ca 0.13 -0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.35 1v4r h THR 16 Cb 0.25 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1v4r h THR 16 CO -0.00 0.00 0.06 -0.74 0.37 0.00 0.00 175.52 175.21 1v4r h HIS 17 N 0.00 0.09 0.12 3.16 2.76 -1.55 -2.15 115.15 117.59 1v4r h HIS 17 Ca -0.00 0.02 -0.30 0.00 -2.20 0.00 0.00 60.37 57.89 1v4r h HIS 17 Cb 0.00 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1v4r h HIS 17 CO 0.00 0.01 -1.47 0.74 -1.30 0.00 0.00 177.93 175.92 1v4r h PHE 18 N 0.17 0.48 -0.48 5.26 -1.00 -1.60 -2.90 116.94 116.86 1v4r h PHE 18 Ca 0.15 -0.35 0.08 0.00 2.81 0.00 0.00 57.97 60.66 1v4r h PHE 18 Cb 0.17 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 1v4r h PHE 18 CO -0.18 1.36 0.33 0.00 -1.61 0.00 0.00 178.31 178.21 1v4r h ARG 19 N 0.07 0.30 0.02 1.51 3.08 -1.32 -1.18 114.38 116.86 1v4r h ARG 19 Ca -0.22 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1v4r h ARG 19 Cb 2.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.99 1v4r h ARG 19 CO 0.17 0.20 -0.01 1.15 -1.07 0.00 0.00 179.97 180.41 1v4r h THR 20 N 0.31 0.79 -0.69 2.04 2.02 -1.45 -3.23 112.91 112.69 1v4r h THR 20 Ca 0.22 -1.53 0.15 0.00 0.77 0.00 0.00 66.41 66.02 1v4r h THR 20 Cb 0.46 1.47 -0.11 0.00 -1.74 0.00 0.00 68.15 68.23 1v4r h THR 20 CO -0.05 0.26 0.09 -0.07 0.37 0.00 0.00 175.52 176.12 1v4r h LEU 21 N -0.99 -0.14 -0.30 2.58 3.38 -1.25 0.42 115.31 119.01 1v4r h LEU 21 Ca -0.00 0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1v4r h LEU 21 Cb 0.45 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1v4r h LEU 21 CO 0.01 -0.09 -0.20 0.40 0.09 0.00 0.00 178.44 178.65 1v4r h ILE 22 N 0.19 1.30 -0.00 1.22 5.03 -1.39 -1.10 117.51 122.75 1v4r h ILE 22 Ca 0.38 -1.33 0.00 0.00 -0.12 0.00 0.00 64.86 63.79 1v4r h ILE 22 Cb 0.65 1.51 0.00 0.00 -3.03 0.00 0.00 36.82 35.95 1v4r h ILE 22 CO -0.54 0.43 -0.22 0.29 -0.68 0.00 0.00 178.15 177.43 1v4r n LYS 23 N -4.34 0.41 -0.59 2.37 5.02 -0.71 -1.90 118.16 118.42 1v4r n LYS 23 Ca -0.03 -0.18 0.08 0.00 -2.02 0.00 0.00 58.31 56.16 1v4r n LYS 23 Cb 0.41 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.24 1v4r n LYS 23 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1v4r n SER 24 N -1.14 4.54 -0.68 4.39 3.41 0.14 -4.96 113.62 119.32 1v4r n SER 24 Ca 0.10 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1v4r n SER 24 Cb 0.32 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 0.34 -0.07 0.19 5.00 0.00 -0.79 -4.70 105.19 105.17 1v4r n GLY 25 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 0.22 -4.00 1.61 5.08 -1.50 -3.33 114.58 112.66 1v4r h GLU 26 Ca 0.00 -0.11 -0.76 0.00 -1.00 0.00 0.00 59.36 57.50 1v4r h GLU 26 Cb 0.13 -0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.11 1v4r h GLU 26 CO 0.00 0.61 -0.17 -1.17 -1.00 0.00 0.00 179.01 177.28 1v4r s LEU 27 N -8.22 6.17 0.64 1.33 2.96 -0.92 -5.04 118.68 115.59 1v4r s LEU 27 Ca -0.04 -2.24 -0.16 0.00 -0.22 0.00 0.00 54.13 51.46 1v4r s LEU 27 Cb 0.13 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1v4r s LEU 27 CO 0.77 -0.67 1.12 0.00 -1.32 0.00 0.00 176.35 176.25 1v4r s ALA 28 N 0.87 2.51 -0.04 5.97 0.00 -1.25 -4.41 121.76 125.41 1v4r s ALA 28 Ca 0.10 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1v4r s ALA 28 Cb -0.21 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1v4r s ALA 28 CO -0.03 -1.18 1.11 -2.14 0.00 0.00 0.00 175.76 173.52 1v4r s PRO 29 N -3.92 4.41 0.00 0.00 0.02 -1.26 -2.57 135.00 131.69 1v4r s PRO 29 Ca 0.68 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1v4r s PRO 29 Cb -0.21 -3.51 0.00 0.00 0.02 0.00 0.00 34.50 30.80 1v4r s PRO 29 CO 0.38 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 177.14 1v4r n GLY 30 N 3.20 0.66 3.90 0.52 0.00 0.20 -4.96 105.19 108.72 1v4r n GLY 30 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.90 6.48 0.58 1.61 -1.08 -1.06 -4.90 116.67 116.40 1v4r s ASP 31 Ca 0.00 0.56 -0.14 0.00 -0.52 0.00 0.00 52.55 52.44 1v4r s ASP 31 Cb 0.00 -2.08 -0.05 0.00 -1.46 0.00 0.00 42.92 39.33 1v4r s ASP 31 CO 0.00 0.06 1.02 0.42 0.52 0.00 0.00 175.17 177.19 1v4r s THR 32 N -1.64 4.39 0.37 1.71 -4.23 -1.26 -0.12 115.64 114.86 1v4r s THR 32 Ca 0.40 0.99 -0.28 0.00 -1.18 0.00 0.00 61.69 61.62 1v4r s THR 32 Cb -0.12 -3.66 -0.11 0.00 1.34 0.00 0.00 72.50 69.94 1v4r s THR 32 CO 0.25 -0.81 1.50 -0.76 -0.54 0.00 0.00 174.62 174.25 1v4r s LEU 33 N -4.65 4.32 0.89 4.79 1.43 -0.64 -4.71 118.68 120.11 1v4r s LEU 33 Ca 0.58 3.03 -0.12 0.00 -1.03 0.00 0.00 54.13 56.60 1v4r s LEU 33 Cb -0.12 -3.66 0.12 0.00 0.03 0.00 0.00 46.19 42.56 1v4r s LEU 33 CO 0.42 -0.87 1.12 -2.16 0.23 0.00 0.00 176.35 175.08 1v4r s PRO 34 N -1.89 1.34 0.56 1.29 0.04 -1.26 -5.01 135.00 130.07 1v4r s PRO 34 Ca 0.54 0.45 -0.20 0.00 0.04 0.00 0.00 61.00 61.83 1v4r s PRO 34 Cb -0.47 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1v4r s PRO 34 CO 0.61 -2.10 1.21 -1.54 0.04 0.00 0.00 177.00 175.22 1v4r s SER 35 N -3.89 5.44 0.56 6.66 1.04 -1.26 -4.86 113.70 117.40 1v4r s SER 35 Ca 0.63 2.39 0.32 0.00 0.48 0.00 0.00 55.95 59.77 1v4r s SER 35 Cb -0.15 -2.60 1.46 0.00 0.10 0.00 0.00 66.02 64.82 1v4r s SER 35 CO 0.54 -1.42 1.82 -0.37 0.98 0.00 0.00 173.24 174.79 1v4r h VAL 36 N 1.17 0.39 -0.72 5.02 -1.51 -1.95 0.24 116.25 118.90 1v4r h VAL 36 Ca -0.50 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 64.99 1v4r h VAL 36 Cb 1.28 0.49 -0.04 0.00 -2.13 0.00 0.00 31.29 30.89 1v4r h VAL 36 CO 0.56 0.00 0.46 0.00 -1.23 0.00 0.00 177.57 177.37 1v4r h ALA 37 N 1.39 0.94 0.00 5.19 0.00 -1.98 0.18 119.26 124.98 1v4r h ALA 37 Ca 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1v4r h ALA 37 Cb 1.79 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1v4r h ALA 37 CO -0.00 0.28 -0.17 -0.44 0.00 0.00 0.00 179.25 178.91 1v4r h ASP 38 N 0.92 0.00 0.02 0.00 3.32 -0.85 0.13 116.42 119.96 1v4r h ASP 38 Ca 0.28 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1v4r h ASP 38 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1v4r h ASP 38 CO -0.09 0.17 -0.01 0.40 -1.72 0.00 0.00 179.24 178.00 1v4r h ILE 39 N 0.00 0.77 0.00 0.35 5.03 -1.42 -3.36 117.51 118.87 1v4r h ILE 39 Ca -0.00 -1.53 -0.01 0.00 -0.12 0.00 0.00 64.86 63.19 1v4r h ILE 39 Cb 0.61 1.44 -0.00 0.00 -3.03 0.00 0.00 36.82 35.84 1v4r h ILE 39 CO 0.02 0.26 -0.06 0.08 -0.68 0.00 0.00 178.15 177.77 1v4r h ARG 40 N -0.99 0.00 -0.21 2.37 0.11 -0.79 0.21 114.38 115.07 1v4r h ARG 40 Ca -0.00 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.88 1v4r h ARG 40 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1v4r h ARG 40 CO 0.00 0.06 -0.66 0.00 0.10 0.00 0.00 179.97 179.47 1v4r h ALA 41 N 1.94 0.42 0.00 0.08 0.00 -0.95 -3.11 119.26 117.65 1v4r h ALA 41 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1v4r h ALA 41 Cb 0.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1v4r h ALA 41 CO 0.01 0.69 -0.15 1.96 0.00 0.00 0.00 179.25 181.76 1v4r h GLN 42 N 0.58 0.00 -4.91 0.00 1.08 -1.68 -3.30 115.11 106.88 1v4r h GLN 42 Ca -0.02 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.50 1v4r h GLN 42 Cb 1.27 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.52 1v4r h GLN 42 CO 0.14 0.00 0.29 -0.06 -0.95 0.00 0.00 178.83 178.25 1v4r s PHE 43 N -1.72 2.93 -0.58 2.96 0.40 0.72 -3.77 117.98 118.92 1v4r s PHE 43 Ca -0.04 -0.90 -0.27 0.00 -0.60 0.00 0.00 56.93 55.12 1v4r s PHE 43 Cb 0.01 -4.11 -0.10 0.00 0.51 0.00 0.00 43.02 39.33 1v4r s PHE 43 CO 0.06 -1.41 2.47 0.41 0.70 0.00 0.00 175.22 177.45 1v4r n GLY 44 N 5.28 0.07 3.45 4.36 0.00 -1.14 -3.59 105.19 113.61 1v4r n GLY 44 Ca -0.05 0.74 -0.16 0.00 0.00 0.00 0.00 46.02 46.56 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 11.65 0.00 0.69 1.61 -7.23 -1.22 -4.61 120.40 121.28 1v4r s VAL 45 Ca 1.05 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1v4r s VAL 45 Cb -0.37 -2.63 0.10 0.00 0.56 0.00 0.00 36.38 34.04 1v4r s VAL 45 CO 0.30 0.00 0.96 0.00 -0.31 0.00 0.00 175.10 176.06 1v4r s ALA 46 N -3.09 3.62 -0.37 1.32 0.00 -1.26 -4.75 121.76 117.23 1v4r s ALA 46 Ca 0.33 -1.53 0.25 0.00 0.00 0.00 0.00 51.96 51.02 1v4r s ALA 46 Cb 0.00 -2.12 0.61 0.00 0.00 0.00 0.00 23.12 21.61 1v4r s ALA 46 CO 0.22 -1.33 1.70 0.00 0.00 0.00 0.00 175.76 176.36 1v4r h ALA 47 N -0.45 1.00 -0.03 0.00 0.00 -2.01 -2.59 119.26 115.18 1v4r h ALA 47 Ca -0.39 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1v4r h ALA 47 Cb 1.28 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1v4r h ALA 47 CO 0.45 0.00 -0.31 0.87 0.00 0.00 0.00 179.25 180.26 1v4r h LYS 48 N 0.00 0.27 -0.76 0.00 1.79 -2.00 -3.32 116.57 112.56 1v4r h LYS 48 Ca 0.00 -0.25 0.07 0.00 -2.18 0.00 0.00 60.65 58.29 1v4r h LYS 48 Cb 0.86 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.51 1v4r h LYS 48 CO 0.00 0.92 0.43 1.15 -1.08 0.00 0.00 179.45 180.87 1v4r h THR 49 N -0.29 0.97 -0.12 -0.16 2.02 -1.86 -2.09 112.91 111.37 1v4r h THR 49 Ca -0.03 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 66.93 1v4r h THR 49 Cb 1.00 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 1v4r h THR 49 CO 0.06 0.14 -0.25 0.58 0.37 0.00 0.00 175.52 176.43 1v4r h VAL 50 N 0.78 0.41 0.00 3.16 2.07 -1.59 -0.80 116.25 120.27 1v4r h VAL 50 Ca 0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.86 1v4r h VAL 50 Cb 0.23 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1v4r h VAL 50 CO -0.20 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.15 1v4r n SER 51 N -5.37 0.00 -0.03 0.57 2.88 -0.83 -2.65 113.62 108.18 1v4r n SER 51 Ca -0.03 0.16 -0.19 0.00 -1.33 0.00 0.00 58.87 57.48 1v4r n SER 51 Cb 0.29 -0.33 -0.13 0.00 -0.75 0.00 0.00 64.21 63.28 1v4r n SER 51 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1v4r h ARG 52 N 0.00 0.13 0.00 -1.46 2.47 -0.64 -3.32 114.38 111.57 1v4r h ARG 52 Ca 0.00 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.49 1v4r h ARG 52 Cb 0.17 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1v4r h ARG 52 CO 0.00 1.11 -0.01 0.00 0.56 0.00 0.00 179.97 181.63 1v4r h ALA 53 N -0.09 1.00 -0.67 0.04 0.00 -1.33 -2.87 119.26 115.34 1v4r h ALA 53 Ca -0.18 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.91 1v4r h ALA 53 Cb 1.41 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1v4r h ALA 53 CO 0.01 0.01 0.49 -0.07 0.00 0.00 0.00 179.25 179.68 1v4r h LEU 54 N 0.00 0.00 -1.62 0.00 3.38 -1.60 0.48 115.31 115.95 1v4r h LEU 54 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1v4r h LEU 54 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1v4r h LEU 54 CO 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.42 1v4r h ALA 55 N 1.65 1.69 0.02 1.53 0.00 -1.68 -2.40 119.26 120.08 1v4r h ALA 55 Ca 0.32 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 1v4r h ALA 55 Cb 1.28 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1v4r h ALA 55 CO -0.00 0.23 -1.50 0.28 0.00 0.00 0.00 179.25 178.26 1v4r h VAL 56 N 0.10 1.11 0.00 0.00 2.07 -0.33 -3.36 116.25 115.85 1v4r h VAL 56 Ca 0.02 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.64 1v4r h VAL 56 Cb 0.26 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1v4r h VAL 56 CO 0.02 0.68 0.00 -0.07 0.02 0.00 0.00 177.57 178.21 1v4r h LEU 57 N 0.01 0.00 -1.00 2.57 4.07 -0.54 0.15 115.31 120.58 1v4r h LEU 57 Ca -0.21 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.67 1v4r h LEU 57 Cb 1.95 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.67 1v4r h LEU 57 CO 0.10 0.00 -0.18 0.07 -1.08 0.00 0.00 178.44 177.35 1v4r h LYS 58 N 0.00 0.51 0.00 1.13 2.10 -1.56 0.70 116.57 119.45 1v4r h LYS 58 Ca 0.00 -0.17 -0.26 0.00 -2.00 0.00 0.00 60.65 58.22 1v4r h LYS 58 Cb 0.68 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.93 1v4r h LYS 58 CO 0.00 0.67 -1.55 0.43 -2.00 0.00 0.00 179.45 177.00 1v4r n SER 59 N -4.16 1.89 -0.08 7.07 7.64 -1.00 -3.79 113.62 121.19 1v4r n SER 59 Ca 0.00 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.18 1v4r n SER 59 Cb 0.36 -0.90 -0.08 0.00 -1.01 0.00 0.00 64.21 62.58 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 -1.00 0.00 0.00 1.43 4.57 -0.78 -3.36 114.58 115.44 1v4r h GLU 60 Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1v4r h GLU 60 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1v4r h GLU 60 CO -0.24 0.65 0.00 0.41 -1.18 0.00 0.00 179.01 178.65 1v4r n GLY 61 N 1.59 -1.20 2.66 1.92 0.00 -0.35 -4.94 105.19 104.87 1v4r n GLY 61 Ca -0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.35 -6.82 -3.64 0.99 4.77 0.23 -4.71 117.00 106.48 1v4r n LEU 62 Ca 0.10 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.34 1v4r n LEU 62 Cb 0.23 -3.00 -0.07 0.00 -2.33 0.00 0.00 43.42 38.25 1v4r n LEU 62 CO 0.21 -1.80 0.41 0.54 -1.33 0.00 0.00 177.39 175.41 1v4r s VAL 63 N -2.46 0.00 0.00 4.08 0.11 -0.99 -3.30 120.40 117.84 1v4r s VAL 63 Ca 0.17 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1v4r s VAL 63 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1v4r s VAL 63 CO 0.64 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 172.17 1v4r n SER 64 N 3.40 0.00 -0.08 3.54 2.88 -0.42 -3.82 113.62 119.12 1v4r n SER 64 Ca -0.17 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.30 1v4r n SER 64 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 1v4r n SER 64 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v4r n SER 65 N 0.00 1.87 -4.30 -3.46 2.88 -1.19 -4.92 113.62 104.49 1v4r n SER 65 Ca 0.00 0.49 -0.32 0.00 -1.33 0.00 0.00 58.87 57.71 1v4r n SER 65 Cb 0.00 -0.81 -0.16 0.00 -0.75 0.00 0.00 64.21 62.49 1v4r n SER 65 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1v4r s ARG 66 N -2.56 2.63 -0.09 -1.46 1.81 -1.20 -4.97 118.95 113.12 1v4r s ARG 66 Ca -0.22 -0.86 0.13 0.00 -1.72 0.00 0.00 55.73 53.06 1v4r s ARG 66 Cb 0.03 -2.24 -0.24 0.00 -0.45 0.00 0.00 34.95 32.06 1v4r s ARG 66 CO 0.32 0.39 0.49 0.41 -0.68 0.00 0.00 175.30 176.23 1v4r n GLY 67 N 2.93 -0.96 0.06 -3.53 0.00 -1.26 -2.19 105.19 100.24 1v4r n GLY 67 Ca -0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 1v4r n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v4r h ALA 68 N 0.93 -0.05 0.50 4.61 0.00 -2.05 -3.39 119.26 119.80 1v4r h ALA 68 Ca -0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1v4r h ALA 68 Cb 2.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1v4r h ALA 68 CO 0.06 -0.05 -0.24 1.25 0.00 0.00 0.00 179.25 180.28 1v4r h LEU 69 N -0.88 -0.56 0.00 0.00 7.12 -1.99 -3.49 115.31 115.50 1v4r h LEU 69 Ca -0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1v4r h LEU 69 Cb 0.04 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 1v4r h LEU 69 CO 0.01 -0.28 0.00 0.61 -0.13 0.00 0.00 178.44 178.65 1v4r n GLY 70 N -0.35 1.94 3.67 3.75 0.00 -1.25 -5.10 105.19 107.84 1v4r n GLY 70 Ca -0.08 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1v4r n GLY 70 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1v4r s THR 71 N -2.00 4.68 0.31 2.61 -1.32 -0.93 -3.23 115.64 115.77 1v4r s THR 71 Ca 0.00 2.01 0.09 0.00 -1.21 0.00 0.00 61.69 62.58 1v4r s THR 71 Cb 0.00 -4.30 -0.06 0.00 -1.51 0.00 0.00 72.50 66.63 1v4r s THR 71 CO 0.00 -0.14 -0.10 0.68 -2.21 0.00 0.00 174.62 172.85 1v4r s VAL 72 N 2.97 2.08 -0.18 5.08 -7.23 -1.26 -1.62 120.40 120.24 1v4r s VAL 72 Ca 0.45 -2.21 -0.25 0.00 -1.81 0.00 0.00 61.98 58.16 1v4r s VAL 72 Cb -0.16 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1v4r s VAL 72 CO 0.09 -0.28 0.81 -0.69 -0.31 0.00 0.00 175.10 174.72 1v4r s VAL 73 N -2.73 4.89 0.13 1.32 1.01 0.83 -1.30 120.40 124.56 1v4r s VAL 73 Ca 0.31 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.90 1v4r s VAL 73 Cb 0.02 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1v4r s VAL 73 CO 0.15 0.03 -0.10 -1.61 0.00 0.00 0.00 175.10 173.57 1v4r s GLU 74 N 2.16 1.01 -1.23 2.72 2.02 -1.21 0.62 118.70 124.79 1v4r s GLU 74 Ca 0.37 -1.41 -0.14 0.00 0.02 0.00 0.00 54.97 53.82 1v4r s GLU 74 Cb -0.16 -0.56 -0.05 0.00 0.10 0.00 0.00 34.13 33.45 1v4r s GLU 74 CO 0.12 0.06 2.29 0.36 0.02 0.00 0.00 175.26 178.11 1v4r n LYS 75 N -0.10 2.56 -1.67 1.61 2.85 -1.26 -3.95 118.16 118.20 1v4r n LYS 75 Ca -0.11 -2.12 -0.42 0.00 -1.05 0.00 0.00 58.31 54.61 1v4r n LYS 75 Cb 0.60 -2.94 0.01 0.00 -0.65 0.00 0.00 35.03 32.05 1v4r n LYS 75 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1v4r n ASN 76 N 5.57 2.20 -4.65 -5.58 4.13 -1.26 -4.91 115.26 110.76 1v4r n ASN 76 Ca 0.56 1.11 -0.43 0.00 1.68 0.00 0.00 54.58 57.51 1v4r n ASN 76 Cb 0.31 -1.45 -0.02 0.00 -1.54 0.00 0.00 39.78 37.08 1v4r n ASN 76 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1v4r s PRO 77 N -2.06 4.05 -0.44 3.52 0.02 -1.26 -4.89 135.00 133.94 1v4r s PRO 77 Ca 0.60 1.78 -0.29 0.00 0.02 0.00 0.00 61.00 63.11 1v4r s PRO 77 Cb -0.54 -3.93 0.03 0.00 0.02 0.00 0.00 34.50 30.08 1v4r s PRO 77 CO 0.59 -0.97 1.14 -1.50 -0.33 0.00 0.00 177.00 175.92 1v4r s ILE 78 N 4.28 4.26 -1.31 2.83 -1.16 -1.26 -4.08 121.20 124.75 1v4r s ILE 78 Ca 0.66 1.33 -0.16 0.00 -0.51 0.00 0.00 60.65 61.97 1v4r s ILE 78 Cb -0.26 -4.54 0.16 0.00 0.61 0.00 0.00 42.46 38.43 1v4r s ILE 78 CO 0.24 -0.87 0.43 1.33 -2.81 0.00 0.00 174.94 173.26 1v4r n VAL 79 N 6.62 -0.09 -2.83 4.00 0.24 -1.26 -4.85 118.33 120.16 1v4r n VAL 79 Ca 0.12 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.02 1v4r n VAL 79 Cb 0.48 -0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 32.33 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 -2.88 4.19 0.00 1.34 -1.09 -1.26 -4.90 121.20 116.61 1v4r s ILE 80 Ca 0.57 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.95 1v4r s ILE 80 Cb -0.33 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.28 1v4r s ILE 80 CO 0.70 0.50 0.00 0.41 -1.23 0.00 0.00 174.94 175.32 1v4r n THR 81 N 1.60 0.00 -2.89 2.92 -1.04 -1.26 -4.96 114.28 108.65 1v4r n THR 81 Ca -0.03 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.77 1v4r n THR 81 Cb 0.48 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.97 1v4r n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1v4r n GLY 82 N 0.30 4.39 0.10 3.41 0.00 -1.26 -4.82 105.19 107.31 1v4r n GLY 82 Ca 0.00 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.68 1v4r n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v4r h ALA 83 N 2.92 0.34 -0.00 4.61 0.00 -1.98 -3.28 119.26 121.87 1v4r h ALA 83 Ca 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1v4r h ALA 83 Cb 0.83 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1v4r h ALA 83 CO 0.67 1.21 -0.00 -0.25 0.00 0.00 0.00 179.25 180.88 1v4r n ASP 84 N -3.39 0.00 0.03 0.00 9.92 -1.26 -3.53 116.55 118.33 1v4r n ASP 84 Ca -0.13 0.27 -0.19 0.00 -0.53 0.00 0.00 54.79 54.21 1v4r n ASP 84 Cb 1.02 -0.42 -0.14 0.00 -0.64 0.00 0.00 41.12 40.94 1v4r n ASP 84 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1v4r h ARG 85 N 0.00 0.31 -5.90 -1.24 3.08 -1.82 -3.45 114.38 105.37 1v4r h ARG 85 Ca 0.00 -0.47 -0.56 0.00 0.07 0.00 0.00 59.98 59.02 1v4r h ARG 85 Cb 0.42 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1v4r h ARG 85 CO 0.00 1.19 1.52 -0.51 -1.07 0.00 0.00 179.97 181.11 1v4r s LEU 86 N -8.02 3.43 0.00 3.04 1.43 -1.23 -4.46 118.68 112.87 1v4r s LEU 86 Ca -0.14 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1v4r s LEU 86 Cb 0.01 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1v4r s LEU 86 CO 0.82 -2.21 0.00 2.29 0.23 0.00 0.00 176.35 177.49 1v4r n LYS 87 N 8.83 0.03 0.03 1.70 2.85 -1.26 -5.02 118.16 125.32 1v4r n LYS 87 Ca 0.31 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 1v4r n LYS 87 Cb 0.48 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1v4r n LYS 87 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1v4r n ARG 88 N 0.00 0.00 0.00 -1.58 0.63 -1.26 -5.07 116.66 109.38 1v4r n ARG 88 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1v4r n ARG 88 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1v4r n ARG 88 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1v4r n MET 89 N -2.69 0.00 0.00 -0.14 0.00 -1.26 -5.10 117.12 107.92 1v4r n MET 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1v4r n MET 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1v4r n MET 89 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1v4r n GLU 90 N -2.49 0.00 -3.25 2.12 0.00 -1.26 -4.83 120.64 110.93 1v4r n GLU 90 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 1v4r n GLU 90 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1v4r n GLU 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1v4r s LYS 91 N -0.57 0.57 0.20 5.31 2.20 -1.26 -4.56 119.74 121.62 1v4r s LYS 91 Ca 0.00 0.04 -0.28 0.00 -0.36 0.00 0.00 55.97 55.37 1v4r s LYS 91 Cb 0.00 -0.12 -0.08 0.00 -1.51 0.00 0.00 37.83 36.12 1v4r s LYS 91 CO 0.00 -1.09 0.88 0.54 -0.36 0.00 0.00 175.35 175.32 1v4r s ASN 92 N 2.34 7.54 0.00 1.43 4.22 -1.26 -4.94 114.94 124.27 1v4r s ASN 92 Ca 0.12 1.82 -0.03 0.00 -2.14 0.00 0.00 52.86 52.63 1v4r s ASN 92 Cb -0.10 -2.57 -0.13 0.00 1.28 0.00 0.00 41.25 39.73 1v4r s ASN 92 CO -0.21 0.15 2.68 0.61 -2.04 0.00 0.00 177.10 178.29 1v4r n GLY 93 N 1.64 2.65 3.18 0.45 0.00 -1.26 -4.77 105.19 107.08 1v4r n GLY 93 Ca -0.03 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1v4r n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1v4r s MET 94 N 0.58 2.74 -0.46 1.61 -1.94 -1.26 -5.08 119.30 115.49 1v4r s MET 94 Ca 0.31 -0.78 -0.28 0.00 -1.71 0.00 0.00 55.69 53.23 1v4r s MET 94 Cb 0.15 -2.10 -0.01 0.00 2.01 0.00 0.00 34.83 34.88 1v4r s MET 94 CO 0.00 0.16 1.70 0.50 -0.01 0.00 0.00 175.02 177.37 1v4r s ARG 95 N 0.38 3.17 -0.00 2.03 6.06 -1.26 -4.97 118.95 124.36 1v4r s ARG 95 Ca -0.17 0.98 -0.28 0.00 -2.50 0.00 0.00 55.73 53.75 1v4r s ARG 95 Cb -0.17 -4.21 -0.04 0.00 0.06 0.00 0.00 34.95 30.59 1v4r s ARG 95 CO 0.08 -2.07 0.90 -0.47 -2.50 0.00 0.00 175.30 171.24 1v4r s TYR 96 N 7.15 3.66 -0.57 5.12 5.04 -1.26 -4.99 117.35 131.49 1v4r s TYR 96 Ca 0.69 1.59 -0.28 0.00 -2.44 0.00 0.00 57.07 56.63 1v4r s TYR 96 Cb -0.16 -3.02 0.02 0.00 0.35 0.00 0.00 41.96 39.15 1v4r s TYR 96 CO 0.29 0.05 1.30 0.00 -1.34 0.00 0.00 175.55 175.84 1v4r s ALA 97 N 0.82 2.91 -0.92 3.97 0.00 -1.26 -4.86 121.76 122.42 1v4r s ALA 97 Ca 0.47 -0.74 0.11 0.00 0.00 0.00 0.00 51.96 51.80 1v4r s ALA 97 Cb -0.20 -4.07 0.50 0.00 0.00 0.00 0.00 23.12 19.35 1v4r s ALA 97 CO 0.25 -2.79 1.32 -0.35 0.00 0.00 0.00 175.76 174.20 1v4r n PRO 98 N 8.55 3.14 0.00 0.00 -0.04 -1.26 -4.64 135.00 140.74 1v4r n PRO 98 Ca 0.10 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 1v4r n PRO 98 Cb 0.49 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.64 -0.46 0.00 0.55 0.00 -1.26 -5.37 105.19 99.29 1v4r n GLY 99 Ca 0.17 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1v4r n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11