#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 3.17 -0.48 2.12 0.04 -1.26 -4.98 135.00 133.61 1v4r s PRO 2 Ca 0.00 1.53 -0.26 0.00 0.04 0.00 0.00 61.00 62.31 1v4r s PRO 2 Cb 0.00 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1v4r s PRO 2 CO 0.00 -0.98 0.96 0.71 0.04 0.00 0.00 177.00 177.73 1v4r s TYR 3 N -1.98 2.88 -0.26 0.56 2.02 -1.26 -4.79 117.35 114.51 1v4r s TYR 3 Ca 0.71 0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 57.46 1v4r s TYR 3 Cb -0.23 -4.06 -0.01 0.00 -0.40 0.00 0.00 41.96 37.27 1v4r s TYR 3 CO 0.32 -1.18 1.42 0.15 -1.57 0.00 0.00 175.55 174.69 1v4r s LYS 4 N 3.90 3.89 -0.39 -0.62 1.02 -1.24 -4.98 119.74 121.33 1v4r s LYS 4 Ca 0.37 1.43 0.01 0.00 0.02 0.00 0.00 55.97 57.80 1v4r s LYS 4 Cb -0.10 -3.93 0.11 0.00 -0.52 0.00 0.00 37.83 33.39 1v4r s LYS 4 CO 0.26 -1.16 0.14 0.00 -0.92 0.00 0.00 175.35 173.67 1v4r s ALA 5 N 4.62 3.05 0.47 5.17 0.00 -1.26 -3.44 121.76 130.38 1v4r s ALA 5 Ca 0.62 -2.58 0.08 0.00 0.00 0.00 0.00 51.96 50.07 1v4r s ALA 5 Cb -0.20 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.75 1v4r s ALA 5 CO 0.25 -1.76 0.65 -1.25 0.00 0.00 0.00 175.76 173.64 1v4r s PRO 6 N 0.95 2.66 0.06 0.00 0.04 -1.26 -5.06 135.00 132.38 1v4r s PRO 6 Ca 0.10 -1.29 0.00 0.00 0.04 0.00 0.00 61.00 59.85 1v4r s PRO 6 Cb -0.21 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1v4r s PRO 6 CO -0.06 -0.46 -0.04 -2.00 0.04 0.00 0.00 177.00 174.47 1v4r s GLU 7 N -4.47 0.61 0.00 4.56 -6.30 -1.26 -4.82 118.70 107.02 1v4r s GLU 7 Ca 0.57 -1.11 0.00 0.00 -2.50 0.00 0.00 54.97 51.93 1v4r s GLU 7 Cb -0.09 0.04 0.00 0.00 0.00 0.00 0.00 34.13 34.08 1v4r s GLU 7 CO 0.35 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.98 1v4r n GLY 8 N 0.43 0.49 3.81 -1.50 0.00 -1.26 -5.07 105.19 102.09 1v4r n GLY 8 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.69 2.50 0.00 1.61 0.00 -1.26 -5.14 119.74 116.77 1v4r s LYS 9 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 55.97 54.46 1v4r s LYS 9 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 37.83 35.53 1v4r s LYS 9 CO 0.00 -0.02 0.00 0.41 0.00 0.00 0.00 175.35 175.74 1v4r n GLY 10 N -1.35 5.22 0.00 0.59 0.00 -1.26 -4.97 105.19 103.42 1v4r n GLY 10 Ca -0.00 -1.55 0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 0.72 1.61 4.11 -1.26 -3.08 117.16 119.26 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 -0.23 0.48 0.00 -0.00 0.00 0.00 39.34 39.59 1v4r n TYR 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1v4r n ALA 12 N -1.23 2.19 0.23 -3.48 0.00 -1.26 -2.50 120.51 114.47 1v4r n ALA 12 Ca 0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 1v4r n ALA 12 Cb 0.13 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 1v4r n ALA 12 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1v4r h ASP 13 N 0.00 -0.54 0.38 0.00 1.82 -1.94 -3.00 116.42 113.13 1v4r h ASP 13 Ca 0.00 0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.59 1v4r h ASP 13 Cb 0.59 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.73 1v4r h ASP 13 CO 0.00 -0.17 -0.33 -0.37 -1.61 0.00 0.00 179.24 176.77 1v4r h VAL 14 N -1.07 1.17 -0.98 2.25 -1.51 -1.80 0.23 116.25 114.53 1v4r h VAL 14 Ca -0.06 -1.15 0.04 0.00 -1.23 0.00 0.00 66.70 64.29 1v4r h VAL 14 Cb 0.49 1.63 -0.06 0.00 -2.13 0.00 0.00 31.29 31.22 1v4r h VAL 14 CO 0.11 0.32 0.64 0.00 -1.23 0.00 0.00 177.57 177.41 1v4r h ALA 15 N 1.67 1.37 0.20 5.19 0.00 -1.58 0.19 119.26 126.30 1v4r h ALA 15 Ca -0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 1v4r h ALA 15 Cb 0.61 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1v4r h ALA 15 CO 0.04 0.54 -1.63 1.15 0.00 0.00 0.00 179.25 179.36 1v4r h THR 16 N 1.24 1.09 0.00 0.00 2.02 -1.13 -3.33 112.91 112.80 1v4r h THR 16 Ca 0.39 -2.63 -0.00 0.00 0.77 0.00 0.00 66.41 64.94 1v4r h THR 16 Cb 0.00 2.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1v4r h THR 16 CO -0.12 0.84 -0.02 0.45 0.37 0.00 0.00 175.52 177.04 1v4r h HIS 17 N 0.11 0.00 0.00 3.16 -0.00 -0.34 -2.15 115.15 115.93 1v4r h HIS 17 Ca -0.30 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 59.97 1v4r h HIS 17 Cb 2.11 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.51 1v4r h HIS 17 CO 0.10 0.02 -0.48 0.74 -0.00 0.00 0.00 177.93 178.31 1v4r h PHE 18 N 0.00 0.00 0.00 2.45 -1.00 -0.74 -3.23 116.94 114.42 1v4r h PHE 18 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1v4r h PHE 18 Cb 0.54 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.10 1v4r h PHE 18 CO 0.00 0.48 -0.00 0.00 -1.61 0.00 0.00 178.31 177.18 1v4r h ARG 19 N 0.00 0.00 0.00 1.51 2.47 -1.50 -0.52 114.38 116.34 1v4r h ARG 19 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1v4r h ARG 19 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1v4r h ARG 19 CO 0.06 0.00 -0.36 0.25 0.56 0.00 0.00 179.97 180.49 1v4r n THR 20 N -3.10 0.33 -0.04 2.04 -2.24 -1.22 -2.67 114.28 107.38 1v4r n THR 20 Ca 0.01 -0.21 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 1v4r n THR 20 Cb 0.32 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.18 1v4r n THR 20 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1v4r h LEU 21 N 0.00 0.18 0.00 3.22 3.38 -1.24 -3.32 115.31 117.52 1v4r h LEU 21 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1v4r h LEU 21 Cb 0.68 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1v4r h LEU 21 CO 0.00 1.42 0.00 -0.38 0.09 0.00 0.00 178.44 179.57 1v4r n ILE 22 N -4.25 0.00 0.00 1.22 2.08 -0.47 -0.16 119.36 117.78 1v4r n ILE 22 Ca -0.23 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.08 1v4r n ILE 22 Cb 0.73 -0.50 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 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 -0.89 0.00 -0.00 0.38 0.00 -1.09 -4.80 118.16 111.76 1v4r n LYS 23 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.45 1v4r n LYS 23 Cb 0.07 -0.92 -0.00 0.00 0.00 0.00 0.00 35.03 34.17 1v4r n LYS 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1v4r n SER 24 N -0.45 4.76 0.00 3.14 2.88 -1.26 -4.98 113.62 117.71 1v4r n SER 24 Ca 0.00 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1v4r n SER 24 Cb 0.00 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1v4r n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v4r n GLY 25 N 3.06 0.00 0.30 0.46 0.00 -1.26 -4.96 105.19 102.80 1v4r n GLY 25 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.16 -2.88 1.61 3.07 -1.82 -2.96 114.58 111.76 1v4r h GLU 26 Ca 0.00 -0.01 -0.60 0.00 -0.50 0.00 0.00 59.36 58.25 1v4r h GLU 26 Cb 0.00 -0.04 -0.40 0.00 -0.84 0.00 0.00 28.75 27.48 1v4r h GLU 26 CO 0.00 0.11 -0.78 -1.17 -1.40 0.00 0.00 179.01 175.77 1v4r s LEU 27 N -10.72 1.97 0.55 1.33 2.96 0.77 -4.99 118.68 110.56 1v4r s LEU 27 Ca -0.12 -2.35 -0.18 0.00 -0.22 0.00 0.00 54.13 51.26 1v4r s LEU 27 Cb 0.25 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 46.12 1v4r s LEU 27 CO 0.77 -0.30 1.07 0.00 -1.32 0.00 0.00 176.35 176.56 1v4r s ALA 28 N 0.77 2.76 0.02 5.97 0.00 -1.12 -4.21 121.76 125.94 1v4r s ALA 28 Ca 0.17 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1v4r s ALA 28 Cb -0.23 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1v4r s ALA 28 CO -0.02 -0.66 1.11 -2.14 0.00 0.00 0.00 175.76 174.04 1v4r s PRO 29 N -3.65 4.47 0.00 0.00 0.02 -1.26 -2.85 135.00 131.74 1v4r s PRO 29 Ca 0.67 1.61 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1v4r s PRO 29 Cb -0.18 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 30.92 1v4r s PRO 29 CO 0.30 -0.20 0.00 0.41 -0.33 0.00 0.00 177.00 177.18 1v4r n GLY 30 N 3.10 1.89 3.96 0.52 0.00 0.22 -4.95 105.19 109.93 1v4r n GLY 30 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.87 6.12 0.60 1.61 -1.08 -1.13 -4.88 116.67 116.03 1v4r s ASP 31 Ca 0.00 0.25 -0.09 0.00 -0.52 0.00 0.00 52.55 52.19 1v4r s ASP 31 Cb 0.00 -1.74 -0.03 0.00 -1.46 0.00 0.00 42.92 39.69 1v4r s ASP 31 CO 0.00 -0.40 0.98 0.42 0.52 0.00 0.00 175.17 176.69 1v4r s THR 32 N -2.32 4.54 0.32 1.71 -4.23 -1.26 0.62 115.64 115.02 1v4r s THR 32 Ca 0.42 0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 61.28 1v4r s THR 32 Cb -0.10 -3.80 -0.10 0.00 1.34 0.00 0.00 72.50 69.84 1v4r s THR 32 CO 0.35 -0.98 1.34 -0.76 -0.54 0.00 0.00 174.62 174.02 1v4r s LEU 33 N -5.10 4.41 0.61 4.79 1.43 0.22 -4.56 118.68 120.50 1v4r s LEU 33 Ca 0.54 2.70 -0.13 0.00 -1.03 0.00 0.00 54.13 56.20 1v4r s LEU 33 Cb -0.11 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1v4r s LEU 33 CO 0.51 -0.58 1.03 -2.16 0.23 0.00 0.00 176.35 175.39 1v4r s PRO 34 N -1.54 3.43 0.67 1.29 0.04 -1.26 -4.98 135.00 132.65 1v4r s PRO 34 Ca 0.51 0.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 1v4r s PRO 34 Cb -0.40 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.09 1v4r s PRO 34 CO 0.52 -0.70 1.11 0.45 0.04 0.00 0.00 177.00 178.42 1v4r s SER 35 N -3.51 5.00 0.34 6.66 0.15 -1.26 -4.87 113.70 116.21 1v4r s SER 35 Ca 0.59 2.01 0.17 0.00 0.70 0.00 0.00 55.95 59.41 1v4r s SER 35 Cb -0.13 -2.55 0.93 0.00 -1.71 0.00 0.00 66.02 62.56 1v4r s SER 35 CO 0.45 -1.70 1.46 -0.37 1.20 0.00 0.00 173.24 174.28 1v4r h VAL 36 N -0.08 0.00 -0.17 4.45 -1.51 -1.96 -1.05 116.25 115.94 1v4r h VAL 36 Ca -0.47 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1v4r h VAL 36 Cb 1.25 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 1v4r h VAL 36 CO 0.54 0.00 0.09 0.00 -1.23 0.00 0.00 177.57 176.96 1v4r h ALA 37 N 1.49 0.21 -0.53 5.19 0.00 -1.98 -0.12 119.26 123.51 1v4r h ALA 37 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1v4r h ALA 37 Cb 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1v4r h ALA 37 CO 0.00 -0.24 -0.10 -0.44 0.00 0.00 0.00 179.25 178.47 1v4r h ASP 38 N 0.15 0.99 0.49 0.00 5.19 -1.54 -2.16 116.42 119.55 1v4r h ASP 38 Ca 0.06 -0.32 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 1v4r h ASP 38 Cb 0.09 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1v4r h ASP 38 CO -0.01 1.10 -0.24 0.40 -3.12 0.00 0.00 179.24 177.38 1v4r h ILE 39 N 0.89 0.37 -0.11 0.35 5.03 -1.61 -3.10 117.51 119.34 1v4r h ILE 39 Ca 0.14 -0.44 -0.03 0.00 -0.12 0.00 0.00 64.86 64.41 1v4r h ILE 39 Cb 0.65 0.52 -0.01 0.00 -3.03 0.00 0.00 36.82 34.95 1v4r h ILE 39 CO 0.05 0.06 -0.07 -0.09 -0.68 0.00 0.00 178.15 177.41 1v4r h ARG 40 N -0.98 0.15 0.18 2.37 2.43 -0.97 0.35 114.38 117.92 1v4r h ARG 40 Ca -0.07 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.77 1v4r h ARG 40 Cb 0.60 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1v4r h ARG 40 CO 0.11 0.24 -1.47 0.00 -1.51 0.00 0.00 179.97 177.34 1v4r h ALA 41 N 1.78 0.05 0.00 2.80 0.00 -1.49 -3.23 119.26 119.17 1v4r h ALA 41 Ca 0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 54.91 53.91 1v4r h ALA 41 Cb 0.23 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1v4r h ALA 41 CO 0.01 0.80 -0.20 1.96 0.00 0.00 0.00 179.25 181.83 1v4r h GLN 42 N -0.07 0.00 -5.06 0.00 4.20 -1.44 -3.29 115.11 109.44 1v4r h GLN 42 Ca -0.29 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.75 1v4r h GLN 42 Cb 1.96 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 29.57 1v4r h GLN 42 CO 0.16 0.95 0.25 -0.06 -0.67 0.00 0.00 178.83 179.47 1v4r s PHE 43 N -2.22 2.90 -0.82 2.96 0.08 0.12 -4.97 117.98 116.04 1v4r s PHE 43 Ca -0.20 -0.66 -0.22 0.00 0.12 0.00 0.00 56.93 55.98 1v4r s PHE 43 Cb -0.01 -3.98 -0.19 0.00 -0.57 0.00 0.00 43.02 38.27 1v4r s PHE 43 CO 0.64 -1.33 2.37 0.41 -0.10 0.00 0.00 175.22 177.21 1v4r n GLY 44 N 5.25 -0.23 3.46 4.36 0.00 -1.26 -4.00 105.19 112.78 1v4r n GLY 44 Ca -0.06 0.35 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 9.86 0.00 0.36 1.61 -7.23 -1.22 -4.54 120.40 119.24 1v4r s VAL 45 Ca 1.08 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.60 1v4r s VAL 45 Cb -0.44 -2.62 0.07 0.00 0.56 0.00 0.00 36.38 33.95 1v4r s VAL 45 CO 0.28 0.00 0.50 0.00 -0.31 0.00 0.00 175.10 175.57 1v4r n ALA 46 N -0.57 0.18 0.07 1.32 0.00 -1.26 -4.77 120.51 115.48 1v4r n ALA 46 Ca 0.02 -1.02 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 1v4r n ALA 46 Cb 0.62 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 20.18 1v4r n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v4r h ALA 47 N -0.41 0.27 0.00 0.00 0.00 -1.97 -3.08 119.26 114.07 1v4r h ALA 47 Ca -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1v4r h ALA 47 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1v4r h ALA 47 CO 0.18 0.82 -0.31 1.57 0.00 0.00 0.00 179.25 181.52 1v4r h LYS 48 N 0.22 0.00 -0.44 0.00 2.10 -1.99 -3.23 116.57 113.22 1v4r h LYS 48 Ca -0.10 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.41 1v4r h LYS 48 Cb 1.69 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.01 1v4r h LYS 48 CO 0.18 0.00 -0.26 1.15 -2.00 0.00 0.00 179.45 178.52 1v4r h THR 49 N 0.00 1.27 0.61 0.07 2.02 -1.92 -1.98 112.91 112.98 1v4r h THR 49 Ca 0.00 -1.42 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 1v4r h THR 49 Cb 0.76 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1v4r h THR 49 CO 0.00 0.48 -0.42 0.58 0.37 0.00 0.00 175.52 176.53 1v4r h VAL 50 N 0.81 0.15 0.00 3.16 2.07 -1.56 -2.59 116.25 118.28 1v4r h VAL 50 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1v4r h VAL 50 Cb 0.83 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1v4r h VAL 50 CO 0.07 0.00 0.03 -1.28 0.02 0.00 0.00 177.57 176.41 1v4r h SER 51 N -0.99 0.00 0.13 0.57 0.87 -1.59 -2.37 113.55 110.17 1v4r h SER 51 Ca -0.07 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.30 1v4r h SER 51 Cb 0.82 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1v4r h SER 51 CO 0.05 0.00 -0.79 -0.09 -0.53 0.00 0.00 176.83 175.46 1v4r h ARG 52 N 0.00 0.30 0.00 2.24 2.43 -0.96 -3.29 114.38 115.10 1v4r h ARG 52 Ca 0.00 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1v4r h ARG 52 Cb 0.05 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1v4r h ARG 52 CO 0.00 1.24 0.00 0.00 -1.51 0.00 0.00 179.97 179.70 1v4r h ALA 53 N 0.09 1.00 -1.09 2.80 0.00 -1.30 -3.19 119.26 117.57 1v4r h ALA 53 Ca -0.14 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.07 1v4r h ALA 53 Cb 1.62 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 1v4r h ALA 53 CO 0.15 0.00 0.73 -0.07 0.00 0.00 0.00 179.25 180.06 1v4r h LEU 54 N 0.00 0.26 -0.90 0.00 3.38 -1.51 0.31 115.31 116.85 1v4r h LEU 54 Ca 0.00 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1v4r h LEU 54 Cb 0.77 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1v4r h LEU 54 CO 0.00 0.04 0.14 0.00 0.09 0.00 0.00 178.44 178.71 1v4r h ALA 55 N 1.54 1.10 0.00 1.53 0.00 -1.74 -2.14 119.26 119.55 1v4r h ALA 55 Ca 0.58 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 1v4r h ALA 55 Cb 1.81 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1v4r h ALA 55 CO -0.18 0.60 -0.56 0.28 0.00 0.00 0.00 179.25 179.39 1v4r h VAL 56 N 0.91 1.26 0.00 0.00 2.07 -0.68 -3.04 116.25 116.78 1v4r h VAL 56 Ca 0.20 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1v4r h VAL 56 Cb 0.34 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1v4r h VAL 56 CO 0.00 0.55 0.00 -0.07 0.02 0.00 0.00 177.57 178.07 1v4r h LEU 57 N 0.00 0.00 -0.11 2.57 3.38 -0.43 0.34 115.31 121.06 1v4r h LEU 57 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1v4r h LEU 57 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1v4r h LEU 57 CO 0.07 0.00 -0.01 0.11 0.09 0.00 0.00 178.44 178.71 1v4r h LYS 58 N 0.00 0.20 0.00 1.13 1.57 -1.36 0.53 116.57 118.64 1v4r h LYS 58 Ca 0.00 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1v4r h LYS 58 Cb 0.52 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1v4r h LYS 58 CO 0.00 0.46 -0.95 -1.13 -0.57 0.00 0.00 179.45 177.26 1v4r n SER 59 N -4.79 1.84 -0.03 0.86 3.41 -1.10 -0.59 113.62 113.22 1v4r n SER 59 Ca -0.06 0.52 -0.11 0.00 -0.26 0.00 0.00 58.87 58.96 1v4r n SER 59 Cb 0.21 -0.91 -0.14 0.00 -0.26 0.00 0.00 64.21 63.11 1v4r n SER 59 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1v4r n GLU 60 N -4.51 0.66 0.08 4.33 1.02 0.12 -4.01 120.64 118.32 1v4r n GLU 60 Ca -0.21 0.26 -0.05 0.00 -0.02 0.00 0.00 57.16 57.14 1v4r n GLU 60 Cb 0.49 -1.75 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 1v4r n GLU 60 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1v4r h GLY 61 N 3.18 0.00 -3.55 0.62 0.00 -1.07 -3.48 103.07 98.78 1v4r h GLY 61 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1v4r h GLY 61 CO 0.07 0.00 -0.12 1.04 0.00 0.00 0.00 176.54 177.53 1v4r n LEU 62 N -3.43 -3.44 -4.11 3.11 4.77 0.18 -4.86 117.00 109.22 1v4r n LEU 62 Ca -0.00 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 1v4r n LEU 62 Cb 0.85 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 1v4r n LEU 62 CO 0.45 -0.57 0.00 0.68 -1.33 0.00 0.00 177.39 176.62 1v4r s VAL 63 N -1.38 0.00 -0.16 4.08 -7.23 -1.02 -4.01 120.40 110.68 1v4r s VAL 63 Ca 0.06 -1.70 -0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1v4r s VAL 63 Cb -0.02 -2.44 0.08 0.00 0.56 0.00 0.00 36.38 34.56 1v4r s VAL 63 CO 0.19 0.00 0.26 -0.44 -0.31 0.00 0.00 175.10 174.79 1v4r s SER 64 N -3.15 0.66 -0.57 4.85 0.01 -0.47 -4.37 113.70 110.66 1v4r s SER 64 Ca 0.32 0.31 -0.25 0.00 1.31 0.00 0.00 55.95 57.63 1v4r s SER 64 Cb 0.02 0.63 0.04 0.00 0.21 0.00 0.00 66.02 66.92 1v4r s SER 64 CO 0.14 -0.27 1.03 -0.55 0.41 0.00 0.00 173.24 174.00 1v4r s SER 65 N 2.40 6.36 -0.26 2.44 0.15 -1.26 -1.11 113.70 122.41 1v4r s SER 65 Ca 0.04 -0.25 -0.26 0.00 0.70 0.00 0.00 55.95 56.18 1v4r s SER 65 Cb -0.13 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1v4r s SER 65 CO -0.10 -1.33 0.89 -0.13 1.20 0.00 0.00 173.24 173.76 1v4r s ARG 66 N 4.31 4.15 0.00 5.44 1.81 -0.47 -4.85 118.95 129.34 1v4r s ARG 66 Ca 0.34 0.97 0.00 0.00 -1.72 0.00 0.00 55.73 55.32 1v4r s ARG 66 Cb -0.11 -3.67 0.00 0.00 -0.45 0.00 0.00 34.95 30.72 1v4r s ARG 66 CO 0.20 -0.61 1.20 0.41 -0.68 0.00 0.00 175.30 175.83 1v4r n GLY 67 N 3.76 1.87 2.02 -3.53 0.00 -1.26 -1.36 105.19 106.69 1v4r n GLY 67 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.06 1.61 0.12 4.61 0.00 -1.26 -4.90 120.51 121.75 1v4r n ALA 68 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1v4r n ALA 68 Cb 0.41 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.08 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 0.15 0.00 0.00 5.85 -2.00 -3.49 115.31 115.83 1v4r h LEU 69 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1v4r h LEU 69 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1v4r h LEU 69 CO 0.00 0.62 0.00 0.61 -0.34 0.00 0.00 178.44 179.33 1v4r n GLY 70 N -0.07 2.40 3.66 3.75 0.00 -0.47 -5.02 105.19 109.44 1v4r n GLY 70 Ca -0.02 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.79 4.56 0.36 2.61 -1.32 -1.25 -1.37 115.64 117.44 1v4r s THR 71 Ca 0.00 1.88 0.04 0.00 -1.21 0.00 0.00 61.69 62.41 1v4r s THR 71 Cb 0.00 -4.22 -0.06 0.00 -1.51 0.00 0.00 72.50 66.71 1v4r s THR 71 CO 0.00 -0.15 0.05 0.68 -2.21 0.00 0.00 174.62 172.99 1v4r s VAL 72 N 3.16 1.34 -0.26 5.08 -7.23 -0.27 -0.61 120.40 121.62 1v4r s VAL 72 Ca 0.48 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.48 1v4r s VAL 72 Cb -0.17 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 1v4r s VAL 72 CO 0.10 0.00 0.45 -0.69 -0.31 0.00 0.00 175.10 174.65 1v4r s VAL 73 N -3.14 5.12 0.14 1.32 1.01 0.20 -1.36 120.40 123.69 1v4r s VAL 73 Ca 0.34 0.74 0.04 0.00 0.00 0.00 0.00 61.98 63.11 1v4r s VAL 73 Cb 0.08 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1v4r s VAL 73 CO 0.16 0.13 -0.11 -1.61 0.00 0.00 0.00 175.10 173.67 1v4r s GLU 74 N 2.13 1.03 0.00 2.72 2.02 -1.26 0.70 118.70 126.05 1v4r s GLU 74 Ca 0.18 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1v4r s GLU 74 Cb -0.16 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.44 1v4r s GLU 74 CO 0.09 0.09 1.78 1.17 0.02 0.00 0.00 175.26 178.41 1v4r n LYS 75 N -0.03 0.96 -3.82 1.61 3.00 -1.26 -3.87 118.16 114.75 1v4r n LYS 75 Ca -0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.91 1v4r n LYS 75 Cb 0.60 -1.02 -0.12 0.00 0.00 0.00 0.00 35.03 34.48 1v4r n LYS 75 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1v4r s ASN 76 N 1.85 4.11 -0.23 3.14 0.01 -1.26 -5.06 114.94 117.50 1v4r s ASN 76 Ca 0.00 -3.35 -0.36 0.00 -0.71 0.00 0.00 52.86 48.44 1v4r s ASN 76 Cb 0.00 -1.40 -0.12 0.00 0.41 0.00 0.00 41.25 40.14 1v4r s ASN 76 CO 0.00 -0.16 1.97 -0.81 -1.51 0.00 0.00 177.10 176.59 1v4r n PRO 77 N 2.61 1.54 -1.94 -0.60 -0.04 -1.26 -3.96 135.00 131.35 1v4r n PRO 77 Ca 0.15 0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 63.71 1v4r n PRO 77 Cb 0.36 -2.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 1v4r n PRO 77 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1v4r s ILE 78 N 5.30 2.82 -0.75 0.52 -1.09 0.24 -4.84 121.20 123.41 1v4r s ILE 78 Ca 1.00 0.47 -0.26 0.00 -2.23 0.00 0.00 60.65 59.64 1v4r s ILE 78 Cb -0.82 -3.30 -0.22 0.00 -1.58 0.00 0.00 42.46 36.54 1v4r s ILE 78 CO 0.53 0.02 1.88 0.52 -1.23 0.00 0.00 174.94 176.67 1v4r n VAL 79 N 4.31 0.97 -2.58 2.92 0.31 -1.26 -4.26 118.33 118.73 1v4r n VAL 79 Ca 0.15 -0.93 -0.42 0.00 -0.01 0.00 0.00 64.34 63.12 1v4r n VAL 79 Cb 0.39 -2.13 -0.02 0.00 -0.91 0.00 0.00 33.84 31.17 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 9.89 4.07 -0.00 2.52 -1.09 -1.26 -4.82 121.20 130.50 1v4r s ILE 80 Ca 0.69 1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 60.10 1v4r s ILE 80 Cb 0.06 -4.69 -0.00 0.00 -1.58 0.00 0.00 42.46 36.25 1v4r s ILE 80 CO 0.20 -1.25 -0.01 0.35 -1.23 0.00 0.00 174.94 173.00 1v4r n THR 81 N 6.73 0.10 -4.01 2.92 -2.24 -1.26 -5.06 114.28 111.46 1v4r n THR 81 Ca 0.10 0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1v4r n THR 81 Cb 0.49 -1.30 -0.11 0.00 -2.10 0.00 0.00 70.33 67.31 1v4r n THR 81 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1v4r s GLY 82 N -3.11 0.33 0.32 3.38 0.00 -1.26 -5.17 107.32 101.82 1v4r s GLY 82 Ca -0.01 -0.62 0.08 0.00 0.00 0.00 0.00 44.72 44.17 1v4r s GLY 82 CO 0.02 -0.67 0.17 0.00 0.00 0.00 0.00 173.10 172.62 1v4r s ALA 83 N -1.31 3.57 0.12 3.20 0.00 -1.26 -5.03 121.76 121.04 1v4r s ALA 83 Ca -0.12 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.12 1v4r s ALA 83 Cb -0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 23.12 21.96 1v4r s ALA 83 CO -0.00 0.08 1.27 0.38 0.00 0.00 0.00 175.76 177.48 1v4r h ASP 84 N 1.49 0.36 1.46 0.00 2.03 -2.05 -3.14 116.42 116.57 1v4r h ASP 84 Ca -0.45 -0.33 -0.02 0.00 -0.73 0.00 0.00 57.03 55.51 1v4r h ASP 84 Cb 1.25 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1v4r h ASP 84 CO 0.61 1.18 -0.10 0.08 -1.03 0.00 0.00 179.24 179.99 1v4r h ARG 85 N 0.11 0.00 -5.79 4.15 0.11 -1.97 -3.41 114.38 107.58 1v4r h ARG 85 Ca -0.08 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.64 1v4r h ARG 85 Cb 1.71 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.76 1v4r h ARG 85 CO 0.17 0.10 0.95 -0.51 0.10 0.00 0.00 179.97 180.78 1v4r s LEU 86 N -6.33 3.20 0.00 0.08 1.43 -1.19 -3.76 118.68 112.12 1v4r s LEU 86 Ca 0.04 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1v4r s LEU 86 Cb 0.07 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1v4r s LEU 86 CO 0.63 -2.67 0.00 1.17 0.23 0.00 0.00 176.35 175.71 1v4r n LYS 87 N 8.98 0.00 -3.83 1.70 3.00 -1.26 -4.84 118.16 121.91 1v4r n LYS 87 Ca 0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.52 1v4r n LYS 87 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.39 1v4r n LYS 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1v4r s ARG 88 N -1.44 0.11 0.02 1.64 1.81 -1.25 -5.05 118.95 114.79 1v4r s ARG 88 Ca 0.00 0.16 -0.22 0.00 -1.72 0.00 0.00 55.73 53.95 1v4r s ARG 88 Cb 0.00 0.03 -0.17 0.00 -0.45 0.00 0.00 34.95 34.36 1v4r s ARG 88 CO 0.00 -0.03 1.27 1.98 -0.68 0.00 0.00 175.30 177.84 1v4r h MET 89 N 6.12 0.29 -4.18 3.54 1.85 -2.00 -3.26 114.93 117.29 1v4r h MET 89 Ca -0.27 -0.18 -0.75 0.00 -0.61 0.00 0.00 59.70 57.89 1v4r h MET 89 Cb 1.20 0.02 -0.19 0.00 0.43 0.00 0.00 31.60 33.06 1v4r h MET 89 CO 0.45 0.76 1.39 0.39 -0.40 0.00 0.00 176.91 179.49 1v4r n GLU 90 N -4.56 3.52 -1.74 0.39 -0.58 -1.26 -4.99 120.64 111.42 1v4r n GLU 90 Ca -0.07 -3.89 -0.43 0.00 -0.42 0.00 0.00 57.16 52.36 1v4r n GLU 90 Cb 0.39 -2.92 -0.03 0.00 -0.57 0.00 0.00 31.44 28.31 1v4r n GLU 90 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1v4r s LYS 91 N 0.65 3.50 0.25 3.49 2.20 -1.23 -4.96 119.74 123.64 1v4r s LYS 91 Ca 0.40 2.05 -0.27 0.00 -0.36 0.00 0.00 55.97 57.79 1v4r s LYS 91 Cb -0.00 -4.25 -0.09 0.00 -1.51 0.00 0.00 37.83 31.98 1v4r s LYS 91 CO -0.00 -1.68 0.89 -0.80 -0.36 0.00 0.00 175.35 173.40 1v4r s ASN 92 N 6.50 7.43 0.33 1.43 -0.87 -1.26 -4.97 114.94 123.52 1v4r s ASN 92 Ca 0.91 1.80 0.01 0.00 -1.57 0.00 0.00 52.86 54.01 1v4r s ASN 92 Cb -0.33 -2.56 0.57 0.00 -0.02 0.00 0.00 41.25 38.91 1v4r s ASN 92 CO 0.36 0.08 1.96 1.23 -2.57 0.00 0.00 177.10 178.15 1v4r h GLY 93 N 3.76 0.89 -7.36 0.66 0.00 -2.05 -3.37 103.07 95.60 1v4r h GLY 93 Ca -0.46 -0.38 -0.54 0.00 0.00 0.00 0.00 47.33 45.95 1v4r h GLY 93 CO 0.66 0.37 1.09 -0.29 0.00 0.00 0.00 176.54 178.37 1v4r s MET 94 N -5.57 3.17 0.11 4.80 -2.45 -1.26 -4.99 119.30 113.11 1v4r s MET 94 Ca -0.10 -0.23 -0.01 0.00 -1.25 0.00 0.00 55.69 54.10 1v4r s MET 94 Cb 0.17 -4.23 -0.04 0.00 1.25 0.00 0.00 34.83 31.97 1v4r s MET 94 CO 0.77 -2.18 0.28 -0.98 1.05 0.00 0.00 175.02 173.96 1v4r s ARG 95 N 5.78 3.50 0.19 4.11 1.70 -1.26 -5.12 118.95 127.85 1v4r s ARG 95 Ca 0.37 -0.35 0.04 0.00 -0.47 0.00 0.00 55.73 55.32 1v4r s ARG 95 Cb -0.08 -2.96 -0.05 0.00 -0.57 0.00 0.00 34.95 31.29 1v4r s ARG 95 CO 0.14 0.54 -0.04 0.71 -1.08 0.00 0.00 175.30 175.57 1v4r s TYR 96 N -1.61 1.39 -0.43 5.89 2.02 -1.26 -5.12 117.35 118.22 1v4r s TYR 96 Ca 0.37 -0.87 -0.20 0.00 -0.37 0.00 0.00 57.07 56.00 1v4r s TYR 96 Cb -0.12 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1v4r s TYR 96 CO 0.27 -0.02 0.61 0.00 -1.57 0.00 0.00 175.55 174.84 1v4r s ALA 97 N -3.42 3.36 -1.69 3.71 0.00 -1.26 -4.92 121.76 117.54 1v4r s ALA 97 Ca 0.23 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1v4r s ALA 97 Cb 0.04 -3.26 0.11 0.00 0.00 0.00 0.00 23.12 20.02 1v4r s ALA 97 CO 0.05 -1.74 0.98 -0.35 0.00 0.00 0.00 175.76 174.69 1v4r n PRO 98 N 6.14 1.36 -2.23 0.00 -0.04 -1.26 -3.31 135.00 135.66 1v4r n PRO 98 Ca -0.03 -0.43 0.02 0.00 -0.04 0.00 0.00 63.50 63.02 1v4r n PRO 98 Cb 0.48 -1.23 0.04 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.52 1.43 0.00 0.55 0.00 -1.26 -5.33 105.19 101.10 1v4r n GLY 99 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1v4r n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11