#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 0.68 -3.15 0.03 -0.02 -1.26 -4.68 135.00 126.60 1v4r n PRO 2 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 1v4r n PRO 2 Cb 0.00 -1.11 -0.07 0.00 -0.02 0.00 0.00 33.50 32.30 1v4r n PRO 2 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1v4r s TYR 3 N -2.00 3.26 0.13 6.00 1.51 -1.25 -4.08 117.35 120.92 1v4r s TYR 3 Ca 0.07 0.71 -0.19 0.00 -1.01 0.00 0.00 57.07 56.65 1v4r s TYR 3 Cb 0.03 -2.83 -0.07 0.00 -0.11 0.00 0.00 41.96 38.98 1v4r s TYR 3 CO 0.06 -0.34 0.62 0.15 -1.11 0.00 0.00 175.55 174.92 1v4r s LYS 4 N 2.46 4.19 -0.01 -0.62 -0.14 0.52 -5.01 119.74 121.14 1v4r s LYS 4 Ca 0.24 0.75 -0.21 0.00 -1.36 0.00 0.00 55.97 55.39 1v4r s LYS 4 Cb -0.15 -3.09 -0.05 0.00 -1.68 0.00 0.00 37.83 32.86 1v4r s LYS 4 CO 0.09 0.54 0.61 0.00 -0.76 0.00 0.00 175.35 175.83 1v4r s ALA 5 N -1.29 3.47 -0.42 5.17 0.00 -1.26 -4.00 121.76 123.43 1v4r s ALA 5 Ca 0.35 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 1v4r s ALA 5 Cb -0.18 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.19 1v4r s ALA 5 CO 0.20 0.13 1.22 -1.25 0.00 0.00 0.00 175.76 176.07 1v4r s PRO 6 N -0.08 3.75 0.00 0.00 0.04 -1.25 -4.82 135.00 132.64 1v4r s PRO 6 Ca 0.32 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1v4r s PRO 6 Cb -0.18 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1v4r s PRO 6 CO 0.17 -1.34 0.33 0.39 0.04 0.00 0.00 177.00 176.60 1v4r n GLU 7 N 7.72 0.00 0.00 4.56 1.02 -1.26 -4.75 120.64 127.93 1v4r n GLU 7 Ca 0.14 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1v4r n GLU 7 Cb 0.48 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1v4r n GLU 7 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v4r n GLY 8 N 0.77 0.47 3.77 0.62 0.00 -1.26 -5.08 105.19 104.48 1v4r n GLY 8 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.38 2.86 0.00 1.61 -2.85 -1.26 -5.04 119.74 114.68 1v4r s LYS 9 Ca 0.00 1.43 0.00 0.00 -1.00 0.00 0.00 55.97 56.40 1v4r s LYS 9 Cb 0.00 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 1v4r s LYS 9 CO 0.00 -1.21 0.00 0.41 0.10 0.00 0.00 175.35 174.65 1v4r n GLY 10 N -0.40 4.71 0.00 0.59 0.00 -1.26 -4.94 105.19 103.90 1v4r n GLY 10 Ca 0.11 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 0.09 1.61 4.11 -1.26 -2.57 117.16 119.14 1v4r n TYR 11 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.99 1v4r n TYR 11 Cb 0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.34 39.24 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 -1.08 2.39 -0.01 -3.48 0.00 -1.26 -2.29 120.51 114.77 1v4r n ALA 12 Ca 0.15 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1v4r n ALA 12 Cb 0.10 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 1v4r n ALA 12 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1v4r n ASP 13 N -2.72 1.68 0.09 0.00 2.03 -1.06 -3.93 116.55 112.63 1v4r n ASP 13 Ca -0.02 0.25 -0.08 0.00 0.52 0.00 0.00 54.79 55.46 1v4r n ASP 13 Cb 0.62 -0.54 0.02 0.00 -0.72 0.00 0.00 41.12 40.50 1v4r n ASP 13 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1v4r h VAL 14 N 0.04 1.47 -0.45 5.18 3.04 -1.67 -2.38 116.25 121.48 1v4r h VAL 14 Ca -0.39 -2.48 0.04 0.00 -1.01 0.00 0.00 66.70 62.86 1v4r h VAL 14 Cb 2.03 2.36 -0.04 0.00 -2.01 0.00 0.00 31.29 33.63 1v4r h VAL 14 CO 0.08 0.72 0.23 0.00 -1.01 0.00 0.00 177.57 177.59 1v4r h ALA 15 N 1.04 0.57 -0.30 3.17 0.00 -1.63 -0.93 119.26 121.18 1v4r h ALA 15 Ca -0.03 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1v4r h ALA 15 Cb 1.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1v4r h ALA 15 CO 0.12 -0.12 -0.15 1.15 0.00 0.00 0.00 179.25 180.25 1v4r h THR 16 N 0.46 1.24 0.00 0.00 2.02 -1.65 -2.79 112.91 112.20 1v4r h THR 16 Ca 0.20 -1.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.18 1v4r h THR 16 Cb 0.10 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1v4r h THR 16 CO -0.14 0.36 -0.45 0.45 0.37 0.00 0.00 175.52 176.11 1v4r h HIS 17 N 0.48 0.00 0.00 3.16 3.86 -0.85 -2.82 115.15 118.98 1v4r h HIS 17 Ca 0.08 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1v4r h HIS 17 Cb 0.55 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 1v4r h HIS 17 CO 0.02 0.45 -0.06 0.35 0.86 0.00 0.00 177.93 179.55 1v4r h PHE 18 N 0.00 0.00 0.00 2.45 3.57 -0.91 -3.06 116.94 119.00 1v4r h PHE 18 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1v4r h PHE 18 Cb 0.92 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1v4r h PHE 18 CO 0.00 0.06 -0.16 0.00 -2.23 0.00 0.00 178.31 175.98 1v4r h ARG 19 N 0.00 0.00 0.00 1.11 3.08 -1.49 -1.09 114.38 115.99 1v4r h ARG 19 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1v4r h ARG 19 Cb 0.76 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1v4r h ARG 19 CO 0.01 0.16 -0.62 1.15 -1.07 0.00 0.00 179.97 179.60 1v4r h THR 20 N 0.00 1.26 0.00 2.04 2.02 -1.68 -3.09 112.91 113.45 1v4r h THR 20 Ca -0.00 -2.27 -0.18 0.00 0.77 0.00 0.00 66.41 64.73 1v4r h THR 20 Cb 0.53 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 1v4r h THR 20 CO 0.02 0.61 -0.84 -0.07 0.37 0.00 0.00 175.52 175.61 1v4r h LEU 21 N 0.00 0.00 -0.27 2.58 3.38 -1.34 -2.98 115.31 116.68 1v4r h LEU 21 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1v4r h LEU 21 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1v4r h LEU 21 CO 0.08 0.84 -0.37 0.00 0.09 0.00 0.00 178.44 179.07 1v4r n ILE 22 N -3.38 0.00 0.00 1.22 0.13 -0.95 -2.15 119.36 114.23 1v4r n ILE 22 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 62.75 61.58 1v4r n ILE 22 Cb 0.85 0.34 0.00 0.00 -0.84 0.00 0.00 39.64 39.99 1v4r n ILE 22 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1v4r n LYS 23 N -1.03 0.00 -0.00 9.51 5.02 -1.17 -4.81 118.16 125.68 1v4r n LYS 23 Ca 0.09 0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1v4r n LYS 23 Cb 0.34 -0.87 -0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1v4r n LYS 23 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1v4r n SER 24 N -0.55 4.48 -0.11 4.39 2.88 -1.26 -4.87 113.62 118.58 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 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 3.21 0.00 3.00 0.46 0.00 -0.91 -1.59 105.19 109.36 1v4r n GLY 25 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1v4r n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1v4r n GLU 26 N 0.00 -1.96 -1.61 1.61 1.02 -1.26 -4.64 120.64 113.80 1v4r n GLU 26 Ca 0.00 0.48 -0.02 0.00 -0.02 0.00 0.00 57.16 57.59 1v4r n GLU 26 Cb 0.00 -4.93 0.08 0.00 -0.02 0.00 0.00 31.44 26.57 1v4r n GLU 26 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1v4r n LEU 27 N 0.00 2.48 -4.48 -4.62 4.32 -0.62 -5.07 117.00 109.01 1v4r n LEU 27 Ca 0.00 -3.38 -0.30 0.00 -0.02 0.00 0.00 56.01 52.31 1v4r n LEU 27 Cb 0.48 -0.14 0.21 0.00 -1.62 0.00 0.00 43.42 42.36 1v4r n LEU 27 CO 0.00 1.23 0.33 0.00 -1.22 0.00 0.00 177.39 177.73 1v4r n ALA 28 N -0.47 -2.61 -2.36 -1.18 0.00 -1.00 -4.58 120.51 108.30 1v4r n ALA 28 Ca 0.18 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.19 1v4r n ALA 28 Cb 0.90 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1v4r n ALA 28 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1v4r s PRO 29 N -4.24 4.30 0.00 0.00 0.02 -1.26 -2.96 135.00 130.86 1v4r s PRO 29 Ca 0.65 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.46 1v4r s PRO 29 Cb -0.22 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.67 1v4r s PRO 29 CO 0.64 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 1v4r n GLY 30 N 3.54 1.05 3.89 0.52 0.00 0.15 -4.92 105.19 109.42 1v4r n GLY 30 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.86 5.54 0.17 1.61 -1.08 -1.15 -4.92 116.67 115.97 1v4r s ASP 31 Ca 0.00 -0.36 -0.01 0.00 -0.52 0.00 0.00 52.55 51.66 1v4r s ASP 31 Cb 0.00 -1.15 -0.04 0.00 -1.46 0.00 0.00 42.92 40.27 1v4r s ASP 31 CO 0.00 -0.31 0.35 0.42 0.52 0.00 0.00 175.17 176.15 1v4r s THR 32 N -2.23 5.24 -0.13 1.71 -4.23 -1.26 0.45 115.64 115.18 1v4r s THR 32 Ca 0.40 -0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.28 1v4r s THR 32 Cb -0.07 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1v4r s THR 32 CO 0.27 -0.09 1.40 -0.76 -0.54 0.00 0.00 174.62 174.90 1v4r s LEU 33 N -3.09 4.23 0.00 4.79 1.02 0.39 -4.82 118.68 121.19 1v4r s LEU 33 Ca 0.38 1.88 0.14 0.00 0.02 0.00 0.00 54.13 56.55 1v4r s LEU 33 Cb -0.11 -3.54 0.60 0.00 0.02 0.00 0.00 46.19 43.16 1v4r s LEU 33 CO 0.28 -0.82 1.42 -0.81 0.02 0.00 0.00 176.35 176.44 1v4r n PRO 34 N 6.79 1.44 -1.22 1.29 -0.04 -1.26 -4.80 135.00 137.20 1v4r n PRO 34 Ca 0.15 -0.67 -0.35 0.00 -0.04 0.00 0.00 63.50 62.59 1v4r n PRO 34 Cb 0.44 -1.27 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 1v4r n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1v4r n SER 35 N -0.05 8.08 -0.09 3.54 3.41 -1.26 -2.87 113.62 124.38 1v4r n SER 35 Ca 0.12 -2.53 -0.13 0.00 -0.26 0.00 0.00 58.87 56.07 1v4r n SER 35 Cb 0.20 -1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 62.61 1v4r n SER 35 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1v4r n VAL 36 N 3.55 1.48 -0.07 -3.33 0.24 -1.26 -4.43 118.33 114.51 1v4r n VAL 36 Ca 0.72 0.05 -0.06 0.00 -2.04 0.00 0.00 64.34 63.01 1v4r n VAL 36 Cb 0.27 -2.23 -0.02 0.00 -1.47 0.00 0.00 33.84 30.39 1v4r n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1v4r h ALA 37 N -0.96 0.03 -1.51 2.33 0.00 -1.89 -3.33 119.26 113.93 1v4r h ALA 37 Ca -0.13 -0.54 0.44 0.00 0.00 0.00 0.00 54.91 54.68 1v4r h ALA 37 Cb 1.08 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 1v4r h ALA 37 CO -0.08 0.49 1.08 -0.44 0.00 0.00 0.00 179.25 180.29 1v4r h ASP 38 N -1.00 0.03 0.00 0.00 5.19 -1.93 -1.68 116.42 117.02 1v4r h ASP 38 Ca -0.03 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 1v4r h ASP 38 Cb 0.55 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1v4r h ASP 38 CO -0.02 -0.01 -0.49 0.40 -3.12 0.00 0.00 179.24 176.00 1v4r h ILE 39 N 0.02 0.49 0.00 0.35 5.03 -1.83 -3.35 117.51 118.21 1v4r h ILE 39 Ca 0.73 -1.49 0.00 0.00 -0.12 0.00 0.00 64.86 63.98 1v4r h ILE 39 Cb 2.87 1.05 0.00 0.00 -3.03 0.00 0.00 36.82 37.71 1v4r h ILE 39 CO -0.04 0.17 0.00 0.08 -0.68 0.00 0.00 178.15 177.68 1v4r h ARG 40 N -1.00 0.00 0.46 2.37 0.11 -1.43 0.45 114.38 115.34 1v4r h ARG 40 Ca -0.09 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 1v4r h ARG 40 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 1v4r h ARG 40 CO -0.05 0.00 -0.22 0.00 0.10 0.00 0.00 179.97 179.80 1v4r h ALA 41 N 2.04 -0.62 0.00 0.08 0.00 -1.56 -3.23 119.26 115.98 1v4r h ALA 41 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1v4r h ALA 41 Cb 0.28 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1v4r h ALA 41 CO 0.00 -0.65 -0.13 0.37 0.00 0.00 0.00 179.25 178.84 1v4r h GLN 42 N -1.02 0.00 -4.81 0.00 5.75 -1.60 0.15 115.11 113.58 1v4r h GLN 42 Ca -0.06 0.00 -0.72 0.00 -0.15 0.00 0.00 58.65 57.71 1v4r h GLN 42 Cb 0.57 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 28.95 1v4r h GLN 42 CO 0.10 0.81 1.19 -0.06 -2.65 0.00 0.00 178.83 178.22 1v4r s PHE 43 N -2.12 3.40 -0.79 3.99 0.08 0.15 -4.72 117.98 117.97 1v4r s PHE 43 Ca -0.17 -1.93 -0.07 0.00 0.12 0.00 0.00 56.93 54.89 1v4r s PHE 43 Cb -0.02 -4.30 -0.27 0.00 -0.57 0.00 0.00 43.02 37.87 1v4r s PHE 43 CO 0.56 -1.42 1.89 0.41 -0.10 0.00 0.00 175.22 176.56 1v4r n GLY 44 N 4.50 -0.40 3.33 4.36 0.00 -1.25 -3.95 105.19 111.78 1v4r n GLY 44 Ca 0.33 -0.01 -0.17 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 0.00 0.00 0.42 1.61 -7.23 -1.22 -3.78 120.40 110.20 1v4r s VAL 45 Ca 1.05 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.30 1v4r s VAL 45 Cb -0.68 -2.53 0.09 0.00 0.56 0.00 0.00 36.38 33.82 1v4r s VAL 45 CO 0.45 0.00 0.57 0.00 -0.31 0.00 0.00 175.10 175.82 1v4r n ALA 46 N -0.57 -0.14 0.09 1.32 0.00 -1.26 -4.65 120.51 115.29 1v4r n ALA 46 Ca 0.05 -1.00 -0.14 0.00 0.00 0.00 0.00 53.44 52.35 1v4r n ALA 46 Cb 0.62 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.90 0.25 0.00 0.00 0.00 -1.98 -2.93 119.26 113.70 1v4r h ALA 47 Ca -0.19 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1v4r h ALA 47 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1v4r h ALA 47 CO 0.18 0.89 -0.33 1.63 0.00 0.00 0.00 179.25 181.62 1v4r n LYS 48 N -3.64 0.18 -0.06 0.00 4.76 -1.26 -3.78 118.16 114.35 1v4r n LYS 48 Ca -0.07 0.09 -0.16 0.00 -2.87 0.00 0.00 58.31 55.30 1v4r n LYS 48 Cb 0.92 -1.65 -0.05 0.00 -1.84 0.00 0.00 35.03 32.41 1v4r n LYS 48 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1v4r h THR 49 N 0.00 1.27 0.30 -0.18 2.02 -1.89 -1.40 112.91 113.03 1v4r h THR 49 Ca 0.00 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1v4r h THR 49 Cb 0.65 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1v4r h THR 49 CO 0.00 0.58 -0.38 0.58 0.37 0.00 0.00 175.52 176.67 1v4r h VAL 50 N 0.63 0.23 0.00 3.16 2.07 -1.63 -1.50 116.25 119.21 1v4r h VAL 50 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1v4r h VAL 50 Cb 1.23 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1v4r h VAL 50 CO 0.13 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.48 1v4r n SER 51 N -5.47 0.52 0.04 0.57 2.88 -1.21 -1.34 113.62 109.61 1v4r n SER 51 Ca -0.09 0.69 -0.19 0.00 -1.33 0.00 0.00 58.87 57.95 1v4r n SER 51 Cb 0.37 -0.78 -0.13 0.00 -0.75 0.00 0.00 64.21 62.92 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 0.36 -0.20 -1.46 9.65 -0.24 -3.15 114.38 119.33 1v4r h ARG 52 Ca 0.00 -0.51 -0.08 0.00 -1.10 0.00 0.00 59.98 58.29 1v4r h ARG 52 Cb 0.15 0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1v4r h ARG 52 CO 0.00 1.20 -0.23 0.00 2.80 0.00 0.00 179.97 183.74 1v4r h ALA 53 N 0.18 1.24 -0.69 2.80 0.00 -0.75 -2.92 119.26 119.12 1v4r h ALA 53 Ca -0.12 -0.31 0.18 0.00 0.00 0.00 0.00 54.91 54.66 1v4r h ALA 53 Cb 1.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1v4r h ALA 53 CO 0.15 0.50 0.49 -0.07 0.00 0.00 0.00 179.25 180.31 1v4r h LEU 54 N 0.33 0.12 -1.82 0.00 3.38 -1.18 0.46 115.31 116.60 1v4r h LEU 54 Ca 0.05 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1v4r h LEU 54 Cb 0.59 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1v4r h LEU 54 CO 0.04 0.06 -0.15 0.00 0.09 0.00 0.00 178.44 178.48 1v4r h ALA 55 N 1.66 1.39 0.00 1.53 0.00 -1.48 -1.57 119.26 120.79 1v4r h ALA 55 Ca 0.34 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 1v4r h ALA 55 Cb 1.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1v4r h ALA 55 CO -0.04 0.18 -1.80 0.28 0.00 0.00 0.00 179.25 177.87 1v4r n VAL 56 N -3.83 1.58 0.53 0.00 0.31 0.13 -4.25 118.33 112.80 1v4r n VAL 56 Ca -0.02 -0.80 0.12 0.00 -0.01 0.00 0.00 64.34 63.62 1v4r n VAL 56 Cb 0.25 -0.96 0.45 0.00 -0.91 0.00 0.00 33.84 32.67 1v4r n VAL 56 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1v4r n LEU 57 N -3.00 0.59 -0.10 7.52 4.32 0.59 -0.22 117.00 126.69 1v4r n LEU 57 Ca -0.19 0.61 -0.03 0.00 -0.02 0.00 0.00 56.01 56.37 1v4r n LEU 57 Cb 1.07 -0.48 0.19 0.00 -1.62 0.00 0.00 43.42 42.58 1v4r n LEU 57 CO 0.45 -0.36 0.92 0.07 -1.22 0.00 0.00 177.39 177.25 1v4r h LYS 58 N 0.00 0.77 0.00 3.23 2.10 -1.50 0.41 116.57 121.59 1v4r h LYS 58 Ca 0.00 -0.18 -0.20 0.00 -2.00 0.00 0.00 60.65 58.27 1v4r h LYS 58 Cb 0.48 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.68 1v4r h LYS 58 CO 0.00 0.75 -1.32 0.43 -2.00 0.00 0.00 179.45 177.31 1v4r n SER 59 N -4.24 1.88 -0.00 7.07 7.64 -0.77 -4.12 113.62 121.07 1v4r n SER 59 Ca 0.03 0.45 -0.10 0.00 1.01 0.00 0.00 58.87 60.26 1v4r n SER 59 Cb 0.27 -0.89 -0.14 0.00 -1.01 0.00 0.00 64.21 62.44 1v4r n SER 59 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1v4r h GLU 60 N -1.00 0.03 0.00 1.43 4.39 -0.70 -3.34 114.58 115.39 1v4r h GLU 60 Ca -0.30 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1v4r h GLU 60 Cb 1.14 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1v4r h GLU 60 CO -0.18 0.65 -0.72 0.41 -1.16 0.00 0.00 179.01 178.01 1v4r n GLY 61 N 1.56 -1.26 2.99 -3.84 0.00 -0.16 -4.95 105.19 99.54 1v4r n GLY 61 Ca -0.15 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.78 -4.01 -4.56 0.99 4.32 0.13 -4.83 117.00 107.26 1v4r n LEU 62 Ca 0.04 -0.53 -0.25 0.00 -0.02 0.00 0.00 56.01 55.25 1v4r n LEU 62 Cb 0.39 -2.69 -0.10 0.00 -1.62 0.00 0.00 43.42 39.40 1v4r n LEU 62 CO 0.37 0.26 -0.37 0.68 -1.22 0.00 0.00 177.39 177.11 1v4r s VAL 63 N -3.30 2.40 -0.32 4.08 -7.23 -0.71 -4.04 120.40 111.28 1v4r s VAL 63 Ca 0.09 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 1v4r s VAL 63 Cb -0.01 -2.65 0.08 0.00 0.56 0.00 0.00 36.38 34.36 1v4r s VAL 63 CO 0.60 -0.23 0.03 -0.55 -0.31 0.00 0.00 175.10 174.64 1v4r s SER 64 N -3.63 4.82 -1.41 4.85 0.15 0.57 -4.43 113.70 114.62 1v4r s SER 64 Ca 0.33 -1.70 -0.14 0.00 0.70 0.00 0.00 55.95 55.14 1v4r s SER 64 Cb 0.01 -1.67 0.06 0.00 -1.71 0.00 0.00 66.02 62.71 1v4r s SER 64 CO 0.17 -0.33 2.11 -1.20 1.20 0.00 0.00 173.24 175.19 1v4r n SER 65 N 4.47 4.18 -4.55 5.45 7.64 -1.26 -1.43 113.62 128.11 1v4r n SER 65 Ca -0.06 -2.89 -0.38 0.00 1.01 0.00 0.00 58.87 56.55 1v4r n SER 65 Cb 0.42 -1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 61.94 1v4r n SER 65 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1v4r s ARG 66 N 2.93 3.03 0.00 1.43 6.06 -1.12 -4.87 118.95 126.41 1v4r s ARG 66 Ca 0.47 -0.20 -0.05 0.00 -2.50 0.00 0.00 55.73 53.44 1v4r s ARG 66 Cb 0.12 -4.61 -0.24 0.00 0.06 0.00 0.00 34.95 30.27 1v4r s ARG 66 CO -0.06 -2.50 3.41 0.41 -2.50 0.00 0.00 175.30 174.07 1v4r n GLY 67 N 6.00 2.89 1.44 8.12 0.00 -1.26 -0.27 105.19 122.10 1v4r n GLY 67 Ca 0.19 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 2.47 0.00 -0.03 4.61 0.00 -1.26 -4.93 120.51 121.37 1v4r n ALA 68 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.62 1v4r n ALA 68 Cb 0.86 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.18 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 0.28 0.00 0.00 6.46 -1.96 -3.51 115.31 116.57 1v4r h LEU 69 Ca 0.00 -0.79 0.00 0.00 -0.12 0.00 0.00 57.88 56.97 1v4r h LEU 69 Cb 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1v4r h LEU 69 CO 0.00 1.63 0.00 0.61 -0.62 0.00 0.00 178.44 180.06 1v4r n GLY 70 N 1.72 0.99 3.58 3.75 0.00 0.63 -5.03 105.19 110.84 1v4r n GLY 70 Ca -0.28 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.19 3.78 0.12 2.61 -4.23 -1.26 -2.78 115.64 112.69 1v4r s THR 71 Ca 0.00 0.71 0.09 0.00 -1.18 0.00 0.00 61.69 61.32 1v4r s THR 71 Cb 0.00 -4.29 -0.04 0.00 1.34 0.00 0.00 72.50 69.52 1v4r s THR 71 CO 0.00 -0.98 -0.23 0.68 -0.54 0.00 0.00 174.62 173.56 1v4r s VAL 72 N 6.09 1.95 -0.52 2.29 -7.23 -0.52 -0.47 120.40 122.00 1v4r s VAL 72 Ca 0.58 -1.68 -0.20 0.00 -1.81 0.00 0.00 61.98 58.86 1v4r s VAL 72 Cb -0.12 -1.77 0.06 0.00 0.56 0.00 0.00 36.38 35.10 1v4r s VAL 72 CO 0.28 -0.04 0.70 -0.69 -0.31 0.00 0.00 175.10 175.04 1v4r s VAL 73 N -1.24 4.76 -0.04 1.32 1.01 0.17 -0.32 120.40 126.07 1v4r s VAL 73 Ca 0.11 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1v4r s VAL 73 Cb -0.09 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 31.92 1v4r s VAL 73 CO 0.05 -0.89 -0.17 -1.61 0.00 0.00 0.00 175.10 172.48 1v4r s GLU 74 N 2.92 1.71 -0.79 2.72 2.02 -1.26 0.35 118.70 126.37 1v4r s GLU 74 Ca 0.18 -0.59 -0.25 0.00 0.02 0.00 0.00 54.97 54.33 1v4r s GLU 74 Cb -0.18 -1.50 -0.07 0.00 0.10 0.00 0.00 34.13 32.49 1v4r s GLU 74 CO 0.13 0.24 2.08 -1.59 0.02 0.00 0.00 175.26 176.14 1v4r s LYS 75 N 0.03 2.30 -0.43 1.61 -2.85 -1.26 -3.80 119.74 115.34 1v4r s LYS 75 Ca -0.03 0.21 -0.22 0.00 -1.00 0.00 0.00 55.97 54.93 1v4r s LYS 75 Cb -0.11 -4.83 0.02 0.00 -2.06 0.00 0.00 37.83 30.85 1v4r s LYS 75 CO 0.02 -3.51 0.70 -0.80 0.10 0.00 0.00 175.35 171.85 1v4r s ASN 76 N 9.10 6.38 -0.12 0.03 0.01 -1.26 -5.01 114.94 124.07 1v4r s ASN 76 Ca 0.77 -0.17 -0.29 0.00 -0.71 0.00 0.00 52.86 52.47 1v4r s ASN 76 Cb -0.10 -2.35 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 1v4r s ASN 76 CO 0.08 -0.80 1.96 -2.16 -1.51 0.00 0.00 177.10 174.67 1v4r s PRO 77 N 2.98 3.71 -0.32 -0.60 0.04 -1.26 -4.80 135.00 134.75 1v4r s PRO 77 Ca 0.26 2.17 -0.16 0.00 0.04 0.00 0.00 61.00 63.31 1v4r s PRO 77 Cb -0.13 -4.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 1v4r s PRO 77 CO 0.20 -1.43 0.41 0.42 0.04 0.00 0.00 177.00 176.63 1v4r s ILE 78 N 5.96 5.13 -0.59 0.56 -1.09 -1.26 -4.19 121.20 125.72 1v4r s ILE 78 Ca 0.88 0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 59.60 1v4r s ILE 78 Cb -0.35 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 36.74 1v4r s ILE 78 CO 0.36 -0.03 0.09 1.33 -1.23 0.00 0.00 174.94 175.46 1v4r n VAL 79 N 5.24 -0.29 -2.46 2.92 0.24 -1.26 -4.85 118.33 117.87 1v4r n VAL 79 Ca -0.08 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 1v4r n VAL 79 Cb 0.50 -0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 32.06 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 -2.37 4.30 -0.02 1.34 -1.09 -1.26 -4.82 121.20 117.28 1v4r s ILE 80 Ca 0.09 1.55 0.03 0.00 -2.23 0.00 0.00 60.65 60.09 1v4r s ILE 80 Cb -0.05 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1v4r s ILE 80 CO 0.11 -0.24 0.03 0.41 -1.23 0.00 0.00 174.94 174.03 1v4r n THR 81 N 5.60 0.11 -3.74 2.92 -1.04 -1.26 -4.95 114.28 111.92 1v4r n THR 81 Ca 0.14 -0.10 -0.38 0.00 -2.04 0.00 0.00 64.05 61.67 1v4r n THR 81 Cb 0.45 -0.36 -0.12 0.00 -1.82 0.00 0.00 70.33 68.49 1v4r n THR 81 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1v4r s GLY 82 N -2.93 1.82 0.53 3.41 0.00 -1.26 -4.95 107.32 103.93 1v4r s GLY 82 Ca -0.01 -1.59 0.34 0.00 0.00 0.00 0.00 44.72 43.45 1v4r s GLY 82 CO 0.12 0.71 1.99 0.00 0.00 0.00 0.00 173.10 175.93 1v4r h ALA 83 N 8.24 1.00 0.00 3.20 0.00 -2.02 -1.35 119.26 128.33 1v4r h ALA 83 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1v4r h ALA 83 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1v4r h ALA 83 CO 0.61 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 179.42 1v4r h ASP 84 N 0.00 0.00 0.08 0.00 3.32 -1.93 -3.24 116.42 114.66 1v4r h ASP 84 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1v4r h ASP 84 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1v4r h ASP 84 CO 0.00 0.00 -0.07 0.54 -1.72 0.00 0.00 179.24 177.99 1v4r n ARG 85 N -2.99 1.31 0.18 3.56 5.12 -0.51 -3.15 116.66 120.19 1v4r n ARG 85 Ca 0.04 -0.69 0.07 0.00 -1.93 0.00 0.00 57.85 55.34 1v4r n ARG 85 Cb 0.51 -1.49 0.13 0.00 -1.16 0.00 0.00 32.46 30.45 1v4r n ARG 85 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1v4r h LEU 86 N 1.69 0.00 0.00 0.55 5.85 -1.62 -3.45 115.31 118.33 1v4r h LEU 86 Ca 0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 1v4r h LEU 86 Cb 0.44 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 1v4r h LEU 86 CO 0.00 0.26 -0.33 0.29 -0.34 0.00 0.00 178.44 178.32 1v4r n LYS 87 N -3.18 0.90 -2.18 1.25 5.02 -1.19 -5.16 118.16 113.62 1v4r n LYS 87 Ca 0.03 -3.03 -0.28 0.00 -2.02 0.00 0.00 58.31 53.01 1v4r n LYS 87 Cb 0.62 0.62 0.16 0.00 -0.02 0.00 0.00 35.03 36.41 1v4r n LYS 87 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1v4r s ARG 88 N -3.69 0.95 0.19 1.97 1.70 -1.26 -4.97 118.95 113.84 1v4r s ARG 88 Ca 0.11 -0.72 -0.06 0.00 -0.47 0.00 0.00 55.73 54.59 1v4r s ARG 88 Cb -0.01 -2.02 0.11 0.00 -0.57 0.00 0.00 34.95 32.46 1v4r s ARG 88 CO 0.07 -2.11 1.56 1.98 -1.08 0.00 0.00 175.30 175.72 1v4r h MET 89 N -1.26 0.78 -4.79 3.89 1.85 -1.99 -3.26 114.93 110.14 1v4r h MET 89 Ca -0.41 -0.37 -0.57 0.00 -0.61 0.00 0.00 59.70 57.74 1v4r h MET 89 Cb 1.24 -0.01 0.01 0.00 0.43 0.00 0.00 31.60 33.28 1v4r h MET 89 CO 0.37 0.99 2.00 0.39 -0.40 0.00 0.00 176.91 180.26 1v4r n GLU 90 N -4.07 1.69 -3.29 0.39 1.02 -1.26 -4.91 120.64 110.21 1v4r n GLU 90 Ca -0.01 -2.13 -0.38 0.00 -0.02 0.00 0.00 57.16 54.61 1v4r n GLU 90 Cb 0.50 -3.20 -0.06 0.00 -0.02 0.00 0.00 31.44 28.66 1v4r n GLU 90 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1v4r s LYS 91 N 5.27 4.30 -0.15 3.49 2.20 -1.23 -5.06 119.74 128.56 1v4r s LYS 91 Ca 0.60 0.54 -0.08 0.00 -0.36 0.00 0.00 55.97 56.67 1v4r s LYS 91 Cb 0.10 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1v4r s LYS 91 CO 0.11 0.25 0.14 -0.80 -0.36 0.00 0.00 175.35 174.69 1v4r s ASN 92 N 0.29 6.33 0.31 1.43 0.02 -1.26 -4.99 114.94 117.07 1v4r s ASN 92 Ca 0.28 0.39 0.15 0.00 -1.02 0.00 0.00 52.86 52.65 1v4r s ASN 92 Cb -0.16 -2.08 0.41 0.00 0.02 0.00 0.00 41.25 39.44 1v4r s ASN 92 CO 0.13 0.32 1.61 1.23 0.02 0.00 0.00 177.10 180.41 1v4r h GLY 93 N 5.62 0.00 -0.68 0.66 0.00 -2.03 -3.45 103.07 103.17 1v4r h GLY 93 Ca -0.50 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.60 1v4r h GLY 93 CO 0.65 0.00 0.04 1.15 0.00 0.00 0.00 176.54 178.38 1v4r n MET 94 N -3.54 0.37 -1.99 4.80 -0.00 -1.26 -5.05 117.12 110.45 1v4r n MET 94 Ca -0.00 -1.38 -0.39 0.00 -0.00 0.00 0.00 57.70 55.93 1v4r n MET 94 Cb 0.62 -0.29 0.00 0.00 -0.00 0.00 0.00 33.22 33.55 1v4r n MET 94 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1v4r s ARG 95 N -3.64 3.81 -0.14 3.17 1.70 -1.26 -5.00 118.95 117.60 1v4r s ARG 95 Ca 0.32 2.19 -0.13 0.00 -0.47 0.00 0.00 55.73 57.64 1v4r s ARG 95 Cb -0.02 -2.66 -0.05 0.00 -0.57 0.00 0.00 34.95 31.65 1v4r s ARG 95 CO 0.21 -0.63 0.28 -0.47 -1.08 0.00 0.00 175.30 173.61 1v4r s TYR 96 N -1.27 3.51 -0.43 5.89 5.04 -1.26 -5.04 117.35 123.79 1v4r s TYR 96 Ca 0.60 0.62 -0.28 0.00 -2.44 0.00 0.00 57.07 55.56 1v4r s TYR 96 Cb -0.39 -2.28 0.00 0.00 0.35 0.00 0.00 41.96 39.65 1v4r s TYR 96 CO 0.49 0.35 1.52 0.00 -1.34 0.00 0.00 175.55 176.57 1v4r s ALA 97 N 0.10 2.92 -2.18 3.97 0.00 -1.26 -4.86 121.76 120.46 1v4r s ALA 97 Ca 0.17 -0.17 0.27 0.00 0.00 0.00 0.00 51.96 52.23 1v4r s ALA 97 Cb -0.13 -4.00 0.96 0.00 0.00 0.00 0.00 23.12 19.95 1v4r s ALA 97 CO 0.05 -2.61 1.69 -0.35 0.00 0.00 0.00 175.76 174.54 1v4r n PRO 98 N 8.30 1.31 -2.72 0.00 -0.04 -1.26 -4.17 135.00 136.42 1v4r n PRO 98 Ca 0.17 -0.75 -0.05 0.00 -0.04 0.00 0.00 63.50 62.84 1v4r n PRO 98 Cb 0.48 -1.48 0.07 0.00 -0.04 0.00 0.00 33.50 32.53 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 1.24 1.65 0.91 0.55 0.00 -1.26 -5.03 105.19 103.25 1v4r n GLY 99 Ca 0.16 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.54 1v4r n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11