#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0r s ASP 3 N 0.00 3.55 0.20 6.55 1.01 -1.26 -4.88 116.67 121.83 3h0r s ASP 3 Ca 0.00 1.77 -0.11 0.00 0.71 0.00 0.00 52.55 54.92 3h0r s ASP 3 Cb 0.00 -2.40 0.18 0.00 1.01 0.00 0.00 42.92 41.71 3h0r s ASP 3 CO 0.00 -2.63 1.82 -0.09 0.21 0.00 0.00 175.17 174.48 3h0r h ARG 4 N -1.54 0.67 -0.96 8.23 2.43 -2.00 -2.18 114.38 119.03 3h0r h ARG 4 Ca -0.47 -0.04 0.19 0.00 -0.81 0.00 0.00 59.98 58.85 3h0r h ARG 4 Cb 1.26 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.58 3h0r h ARG 4 CO 0.50 0.44 0.61 1.49 -1.51 0.00 0.00 179.97 181.51 3h0r h GLU 5 N 0.69 0.60 -0.13 0.20 4.81 -2.00 -1.27 114.58 117.49 3h0r h GLU 5 Ca 0.26 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3h0r h GLU 5 Cb 0.09 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3h0r h GLU 5 CO -0.14 0.40 0.01 2.35 -0.73 0.00 0.00 179.01 180.90 3h0r h TRP 6 N 0.62 0.25 0.04 0.92 7.01 -1.74 -1.97 115.95 121.08 3h0r h TRP 6 Ca 0.52 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.49 3h0r h TRP 6 Cb 0.99 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.98 3h0r h TRP 6 CO -0.00 0.44 -0.06 0.28 -2.79 0.00 0.00 178.44 176.30 3h0r h VAL 7 N -0.02 0.86 -0.05 2.65 2.07 -1.11 -1.99 116.25 118.66 3h0r h VAL 7 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3h0r h VAL 7 Cb 0.33 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3h0r h VAL 7 CO 0.00 0.00 -0.15 -0.07 0.02 0.00 0.00 177.57 177.38 3h0r h LEU 8 N -0.13 -0.44 -1.22 2.57 3.38 -1.42 -1.57 115.31 116.49 3h0r h LEU 8 Ca 0.01 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.15 3h0r h LEU 8 Cb 0.13 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3h0r h LEU 8 CO -0.03 -0.20 0.57 0.50 0.09 0.00 0.00 178.44 179.37 3h0r h LYS 9 N -0.22 0.83 0.11 1.13 3.64 -1.09 0.28 116.57 121.26 3h0r h LYS 9 Ca 0.07 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.12 3h0r h LYS 9 Cb 0.31 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3h0r h LYS 9 CO -0.18 0.55 -1.20 0.82 -2.27 0.00 0.00 179.45 177.17 3h0r h ILE 10 N 0.86 1.43 -0.23 2.00 1.08 -1.32 -2.96 117.51 118.37 3h0r h ILE 10 Ca 0.41 -2.81 -0.01 0.00 -0.39 0.00 0.00 64.86 62.05 3h0r h ILE 10 Cb 0.42 2.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 3h0r h ILE 10 CO -0.17 0.83 0.09 0.00 -0.69 0.00 0.00 178.15 178.21 3h0r h ALA 11 N 0.54 0.30 -0.48 1.87 0.00 -0.34 -2.42 119.26 118.72 3h0r h ALA 11 Ca -0.14 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.75 3h0r h ALA 11 Cb 1.90 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 3h0r h ALA 11 CO 0.21 -0.10 -0.14 -0.22 0.00 0.00 0.00 179.25 179.00 3h0r h LYS 12 N 0.22 -0.03 -0.92 0.00 3.64 -0.55 0.69 116.57 119.62 3h0r h LYS 12 Ca 0.08 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.55 3h0r h LYS 12 Cb 0.19 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 3h0r h LYS 12 CO -0.01 -0.02 0.59 -0.07 -2.27 0.00 0.00 179.45 177.68 3h0r h LEU 13 N -0.03 0.87 -1.82 5.20 3.38 -1.34 -2.72 115.31 118.85 3h0r h LEU 13 Ca 0.23 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3h0r h LEU 13 Cb 0.38 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3h0r h LEU 13 CO -0.51 0.52 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3h0r n ALA 14 N -2.39 2.47 -3.37 1.53 0.00 -0.59 -4.98 120.51 113.17 3h0r n ALA 14 Ca 0.15 -0.75 -0.15 0.00 0.00 0.00 0.00 53.44 52.69 3h0r n ALA 14 Cb 0.28 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.82 3h0r n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0r n ARG 15 N 1.08 -1.53 -3.89 0.00 5.12 0.14 -5.03 116.66 112.55 3h0r n ARG 15 Ca 0.17 0.98 -0.27 0.00 -1.93 0.00 0.00 57.85 56.81 3h0r n ARG 15 Cb 0.52 -4.85 -0.17 0.00 -1.16 0.00 0.00 32.46 26.81 3h0r n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3h0r s LEU 16 N -5.09 1.20 -0.87 0.55 1.43 -0.63 -5.04 118.68 110.24 3h0r s LEU 16 Ca 0.22 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 3h0r s LEU 16 Cb -0.06 -0.82 0.09 0.00 0.03 0.00 0.00 46.19 45.43 3h0r s LEU 16 CO 0.80 -0.13 1.16 -0.70 0.23 0.00 0.00 176.35 177.70 3h0r s GLU 17 N 1.72 3.45 0.44 1.70 2.12 -1.26 -4.37 118.70 122.48 3h0r s GLU 17 Ca 0.04 -1.31 -0.24 0.00 0.36 0.00 0.00 54.97 53.83 3h0r s GLU 17 Cb -0.13 -4.78 -0.08 0.00 0.26 0.00 0.00 34.13 29.40 3h0r s GLU 17 CO -0.08 -1.89 1.20 -0.51 -0.54 0.00 0.00 175.26 173.44 3h0r s LEU 18 N 3.67 4.10 0.19 2.70 1.43 -1.26 -5.03 118.68 124.48 3h0r s LEU 18 Ca 0.33 2.41 -0.08 0.00 -1.03 0.00 0.00 54.13 55.76 3h0r s LEU 18 Cb -0.07 -4.11 -0.07 0.00 0.03 0.00 0.00 46.19 41.97 3h0r s LEU 18 CO -0.03 -0.87 0.47 -0.54 0.23 0.00 0.00 176.35 175.61 3h0r s LYS 19 N -2.50 3.72 0.59 1.70 1.02 -1.26 -4.95 119.74 118.07 3h0r s LYS 19 Ca 0.61 0.12 0.29 0.00 0.02 0.00 0.00 55.97 57.00 3h0r s LYS 19 Cb -0.32 -2.74 1.57 0.00 -0.52 0.00 0.00 37.83 35.83 3h0r s LYS 19 CO 0.39 0.38 2.01 1.49 -0.92 0.00 0.00 175.35 178.71 3h0r h GLU 20 N 2.67 0.00 -0.16 1.68 4.57 -2.00 0.25 114.58 121.59 3h0r h GLU 20 Ca -0.46 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.67 3h0r h GLU 20 Cb 1.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3h0r h GLU 20 CO 0.71 0.00 -0.06 0.93 -1.18 0.00 0.00 179.01 179.41 3h0r h GLU 21 N 0.00 0.32 0.00 1.92 3.07 -2.01 -3.09 114.58 114.80 3h0r h GLU 21 Ca 0.14 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 3h0r h GLU 21 Cb 0.79 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3h0r h GLU 21 CO -0.00 0.62 -0.13 0.93 -1.40 0.00 0.00 179.01 179.03 3h0r h GLU 22 N 0.01 0.00 -0.02 2.33 5.08 -0.91 -2.56 114.58 118.52 3h0r h GLU 22 Ca 0.04 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 3h0r h GLU 22 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3h0r h GLU 22 CO 0.02 0.13 -0.89 0.82 -1.00 0.00 0.00 179.01 178.09 3h0r h ILE 23 N 0.00 1.41 0.45 3.13 2.04 -1.43 -1.72 117.51 121.40 3h0r h ILE 23 Ca -0.00 -2.40 -0.02 0.00 1.00 0.00 0.00 64.86 63.43 3h0r h ILE 23 Cb 0.28 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 3h0r h ILE 23 CO 0.02 0.72 -0.22 -0.08 0.00 0.00 0.00 178.15 178.59 3h0r h GLU 24 N 0.23 -0.59 -0.55 2.37 4.81 -1.42 -2.82 114.58 116.61 3h0r h GLU 24 Ca -0.07 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3h0r h GLU 24 Cb 1.52 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.99 3h0r h GLU 24 CO 0.15 -0.28 0.32 0.28 -0.73 0.00 0.00 179.01 178.75 3h0r h VAL 25 N -0.95 1.02 0.00 0.32 2.07 -1.54 -2.55 116.25 114.62 3h0r h VAL 25 Ca -0.06 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3h0r h VAL 25 Cb 0.58 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3h0r h VAL 25 CO 0.10 0.11 0.00 -0.26 0.02 0.00 0.00 177.57 177.55 3h0r h PHE 26 N 0.62 0.00 -0.40 1.57 0.04 -1.42 -0.93 116.94 116.41 3h0r h PHE 26 Ca 0.23 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 3h0r h PHE 26 Cb 0.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3h0r h PHE 26 CO -0.07 0.00 0.13 1.96 -0.60 0.00 0.00 178.31 179.73 3h0r h GLN 27 N 0.00 0.62 0.17 1.51 4.20 -1.18 -2.81 115.11 117.62 3h0r h GLN 27 Ca 0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3h0r h GLN 27 Cb 0.62 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3h0r h GLN 27 CO 0.00 0.61 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.47 3h0r h LYS 28 N 0.51 -0.22 -0.69 1.46 3.64 -1.45 -3.11 116.57 116.71 3h0r h LYS 28 Ca 0.13 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 3h0r h LYS 28 Cb 0.25 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.00 3h0r h LYS 28 CO -0.01 -0.15 -0.42 1.96 -2.27 0.00 0.00 179.45 178.57 3h0r h GLN 29 N -0.85 -0.15 -0.49 1.90 4.20 -1.32 -0.41 115.11 117.98 3h0r h GLN 29 Ca -0.02 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3h0r h GLN 29 Cb 0.17 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3h0r h GLN 29 CO 0.04 -0.10 0.19 -0.07 -0.67 0.00 0.00 178.83 178.21 3h0r h LEU 30 N -0.16 0.65 -0.74 1.46 3.38 -1.68 0.33 115.31 118.55 3h0r h LEU 30 Ca 0.22 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3h0r h LEU 30 Cb 0.56 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3h0r h LEU 30 CO -0.76 0.60 0.11 0.28 0.09 0.00 0.00 178.44 178.76 3h0r h SER 31 N 0.71 1.03 0.19 -0.43 0.02 -1.08 0.34 113.55 114.32 3h0r h SER 31 Ca 0.17 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3h0r h SER 31 Cb 0.16 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3h0r h SER 31 CO -0.01 1.01 -0.09 0.44 -1.14 0.00 0.00 176.83 177.04 3h0r h ASP 32 N 1.01 -0.21 -0.94 3.07 3.32 -0.48 -2.83 116.42 119.35 3h0r h ASP 32 Ca 0.20 -0.25 0.16 0.00 0.02 0.00 0.00 57.03 57.16 3h0r h ASP 32 Cb 0.42 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.95 3h0r h ASP 32 CO 0.01 0.15 0.60 0.40 -1.72 0.00 0.00 179.24 178.68 3h0r h ILE 33 N -0.61 0.80 -0.24 0.35 2.04 -0.29 0.48 117.51 120.04 3h0r h ILE 33 Ca -0.03 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 3h0r h ILE 33 Cb 0.45 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3h0r h ILE 33 CO 0.04 0.13 -0.27 -0.07 0.00 0.00 0.00 178.15 177.98 3h0r h LEU 34 N 0.72 0.47 -0.17 1.44 4.07 -0.91 -1.97 115.31 118.95 3h0r h LEU 34 Ca 0.49 -0.16 -0.20 0.00 0.08 0.00 0.00 57.88 58.08 3h0r h LEU 34 Cb 0.79 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 42.40 3h0r h LEU 34 CO -0.25 0.73 -0.68 0.44 -1.08 0.00 0.00 178.44 177.60 3h0r h ASP 35 N 0.41 0.90 -0.75 -0.43 3.32 -0.78 -2.86 116.42 116.23 3h0r h ASP 35 Ca 0.06 -0.61 0.13 0.00 0.02 0.00 0.00 57.03 56.63 3h0r h ASP 35 Cb 0.69 -0.27 -0.09 0.00 0.22 0.00 0.00 39.33 39.88 3h0r h ASP 35 CO 0.05 1.36 0.33 0.15 -1.72 0.00 0.00 179.24 179.42 3h0r h PHE 36 N 0.50 0.58 -0.00 4.55 3.57 0.08 -2.77 116.94 123.45 3h0r h PHE 36 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3h0r h PHE 36 Cb 1.31 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3h0r h PHE 36 CO 0.09 0.13 -0.50 0.44 -2.23 0.00 0.00 178.31 176.23 3h0r n ILE 37 N -4.94 0.00 -1.00 1.41 -5.35 -0.76 -4.55 119.36 104.17 3h0r n ILE 37 Ca 0.14 -0.03 -0.27 0.00 -0.27 0.00 0.00 62.75 62.31 3h0r n ILE 37 Cb 0.38 0.39 -0.05 0.00 -1.74 0.00 0.00 39.64 38.62 3h0r n ILE 37 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3h0r n ASP 38 N -1.28 6.49 -0.09 7.28 9.92 -1.05 -4.14 116.55 133.68 3h0r n ASP 38 Ca 0.07 -2.42 0.06 0.00 -0.53 0.00 0.00 54.79 51.97 3h0r n ASP 38 Cb 0.34 -1.31 -0.05 0.00 -0.64 0.00 0.00 41.12 39.46 3h0r n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h0r n GLN 39 N 3.59 2.36 0.04 -1.24 1.13 -1.26 -4.73 117.38 117.27 3h0r n GLN 39 Ca 0.58 -0.22 0.12 0.00 -1.94 0.00 0.00 57.00 55.54 3h0r n GLN 39 Cb 0.30 -1.15 0.22 0.00 0.11 0.00 0.00 30.24 29.72 3h0r n GLN 39 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h0r n LEU 40 N -0.98 0.60 -0.22 1.08 4.77 -1.26 -4.09 117.00 116.91 3h0r n LEU 40 Ca 0.04 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3h0r n LEU 40 Cb 0.23 -0.22 0.11 0.00 -2.33 0.00 0.00 43.42 41.21 3h0r n LEU 40 CO 0.24 -0.00 1.04 0.11 -1.33 0.00 0.00 177.39 177.45 3h0r h LYS 41 N 0.00 0.53 -0.97 3.23 1.57 -1.94 -2.21 116.57 116.77 3h0r h LYS 41 Ca 0.00 -0.03 0.31 0.00 -1.87 0.00 0.00 60.65 59.06 3h0r h LYS 41 Cb 0.66 -0.12 -0.15 0.00 0.08 0.00 0.00 32.23 32.70 3h0r h LYS 41 CO 0.00 0.35 0.45 0.93 -0.57 0.00 0.00 179.45 180.61 3h0r h GLU 42 N 0.54 0.23 -6.73 3.15 5.08 -1.95 -3.41 114.58 111.49 3h0r h GLU 42 Ca 0.31 -0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 58.15 3h0r h GLU 42 Cb 0.31 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3h0r h GLU 42 CO -0.25 0.15 0.42 -0.51 -1.00 0.00 0.00 179.01 177.82 3h0r s LEU 43 N -10.53 4.57 -0.19 1.33 1.43 -0.83 -5.03 118.68 109.44 3h0r s LEU 43 Ca -0.11 2.07 -0.21 0.00 -1.03 0.00 0.00 54.13 54.85 3h0r s LEU 43 Cb 0.30 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 3h0r s LEU 43 CO 0.78 -0.04 0.66 -0.62 0.23 0.00 0.00 176.35 177.36 3h0r s ASP 44 N -0.74 6.74 0.00 2.29 2.15 -1.26 -4.93 116.67 120.91 3h0r s ASP 44 Ca 0.44 0.90 0.00 0.00 0.43 0.00 0.00 52.55 54.32 3h0r s ASP 44 Cb -0.28 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3h0r s ASP 44 CO 0.35 -0.28 0.48 0.35 -0.17 0.00 0.00 175.17 175.91 3h0r n THR 45 N 4.63 0.22 -1.71 1.71 -2.24 -1.26 -4.91 114.28 110.72 3h0r n THR 45 Ca -0.01 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 3h0r n THR 45 Cb 0.50 1.15 0.04 0.00 -2.10 0.00 0.00 70.33 69.92 3h0r n THR 45 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h0r n GLU 46 N -0.11 1.59 -1.36 -0.78 1.02 -1.26 -2.22 120.64 117.52 3h0r n GLU 46 Ca 0.00 0.58 -0.12 0.00 -0.02 0.00 0.00 57.16 57.60 3h0r n GLU 46 Cb 0.21 -2.47 -0.05 0.00 -0.02 0.00 0.00 31.44 29.10 3h0r n GLU 46 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h0r n ASN 47 N -0.76 -4.90 -4.16 1.62 3.02 -1.26 -4.98 115.26 103.84 3h0r n ASN 47 Ca 0.10 0.31 -0.32 0.00 -0.03 0.00 0.00 54.58 54.64 3h0r n ASN 47 Cb 0.44 -3.50 -0.16 0.00 -0.61 0.00 0.00 39.78 35.95 3h0r n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h0r s VAL 48 N -2.33 2.02 0.12 2.41 1.01 -0.94 -5.13 120.40 117.57 3h0r s VAL 48 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3h0r s VAL 48 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 3h0r s VAL 48 CO 0.00 0.54 1.02 -1.61 0.00 0.00 0.00 175.10 175.06 3h0r s GLU 49 N 0.89 4.64 0.68 2.72 0.41 -1.26 -5.02 118.70 121.76 3h0r s GLU 49 Ca -0.05 1.56 -0.17 0.00 -0.41 0.00 0.00 54.97 55.90 3h0r s GLU 49 Cb -0.15 -3.35 -0.05 0.00 -1.78 0.00 0.00 34.13 28.80 3h0r s GLU 49 CO -0.04 0.12 0.58 -0.35 -0.49 0.00 0.00 175.26 175.08 3h0r n PRO 50 N 2.83 0.39 -1.99 0.39 -0.04 -1.26 -4.91 135.00 130.41 3h0r n PRO 50 Ca 0.03 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 3h0r n PRO 50 Cb 0.48 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 3h0r n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h0r s TYR 51 N -1.84 3.10 0.01 0.54 5.04 -1.26 -5.05 117.35 117.90 3h0r s TYR 51 Ca 0.67 0.70 -0.02 0.00 -2.44 0.00 0.00 57.07 55.99 3h0r s TYR 51 Cb -0.37 -3.87 -0.01 0.00 0.35 0.00 0.00 41.96 38.05 3h0r s TYR 51 CO 0.56 -3.18 0.01 0.42 -1.34 0.00 0.00 175.55 172.02 3h0r s ILE 52 N 1.12 0.10 0.56 3.14 1.01 -1.26 -5.15 121.20 120.71 3h0r s ILE 52 Ca 0.69 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 3h0r s ILE 52 Cb -0.42 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.71 3h0r s ILE 52 CO 0.31 -0.44 1.21 0.00 0.00 0.00 0.00 174.94 176.02 3h0r s GLN 53 N -1.35 3.17 0.31 2.79 -2.07 -1.26 -5.01 119.66 116.25 3h0r s GLN 53 Ca -0.15 1.84 -0.28 0.00 -1.82 0.00 0.00 55.36 54.94 3h0r s GLN 53 Cb -0.09 -2.06 -0.10 0.00 -1.09 0.00 0.00 33.01 29.68 3h0r s GLN 53 CO -0.00 -1.05 1.14 -1.21 -1.32 0.00 0.00 175.29 172.85 3h0r s GLU 54 N -3.17 4.50 0.00 9.60 2.02 -1.26 -4.88 118.70 125.51 3h0r s GLU 54 Ca 0.74 1.86 0.00 0.00 0.02 0.00 0.00 54.97 57.59 3h0r s GLU 54 Cb -0.30 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 30.86 3h0r s GLU 54 CO 0.34 0.06 0.00 1.97 0.02 0.00 0.00 175.26 177.65 3h0r n PHE 55 N 0.92 -0.02 0.00 1.61 -1.74 -1.26 -5.07 117.46 111.90 3h0r n PHE 55 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3h0r n PHE 55 Cb 0.45 0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.45 3h0r n PHE 55 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 3h0r n GLU 56 N -1.51 0.00 -4.56 3.97 4.07 -1.26 -4.79 120.64 116.55 3h0r n GLU 56 Ca 0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 3h0r n GLU 56 Cb 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.24 3h0r n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3h0r s GLU 57 N 0.00 1.49 -0.10 5.31 2.02 -1.26 -5.11 118.70 121.05 3h0r s GLU 57 Ca 0.00 -1.21 -0.30 0.00 0.02 0.00 0.00 54.97 53.48 3h0r s GLU 57 Cb 0.00 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 3h0r s GLU 57 CO 0.00 0.45 1.41 0.99 0.02 0.00 0.00 175.26 178.12 3h0r s THR 58 N -0.97 3.98 -0.12 3.63 2.01 -1.26 -4.97 115.64 117.93 3h0r s THR 58 Ca 0.12 1.21 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 3h0r s THR 58 Cb -0.10 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 3h0r s THR 58 CO 0.04 -0.09 2.01 -2.16 -0.69 0.00 0.00 174.62 173.73 3h0r s PRO 59 N 3.49 3.64 0.39 4.92 0.04 -1.26 -5.00 135.00 141.22 3h0r s PRO 59 Ca 0.62 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.85 3h0r s PRO 59 Cb -0.27 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.04 3h0r s PRO 59 CO 0.21 -1.52 0.07 -1.33 0.04 0.00 0.00 177.00 174.47 3h0r n MET 60 N 8.09 0.78 -3.77 4.56 2.81 -1.26 -5.16 117.12 123.17 3h0r n MET 60 Ca 0.24 -3.07 -0.13 0.00 -1.81 0.00 0.00 57.70 52.93 3h0r n MET 60 Cb 0.44 1.25 -0.13 0.00 -0.71 0.00 0.00 33.22 34.07 3h0r n MET 60 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3h0r s ARG 61 N -3.45 0.22 0.71 0.03 3.52 -1.26 -5.14 118.95 113.57 3h0r s ARG 61 Ca 0.09 0.39 -0.15 0.00 -0.13 0.00 0.00 55.73 55.93 3h0r s ARG 61 Cb 0.00 -0.00 0.03 0.00 -1.56 0.00 0.00 34.95 33.42 3h0r s ARG 61 CO 0.07 -0.09 1.21 -1.21 -0.81 0.00 0.00 175.30 174.46 3h0r s GLU 62 N 0.66 2.25 -1.44 5.12 0.41 -1.26 -4.90 118.70 119.53 3h0r s GLU 62 Ca -0.04 1.78 -0.13 0.00 -0.41 0.00 0.00 54.97 56.16 3h0r s GLU 62 Cb -0.06 -1.84 0.05 0.00 -1.78 0.00 0.00 34.13 30.50 3h0r s GLU 62 CO -0.04 -1.75 2.20 -3.47 -0.49 0.00 0.00 175.26 171.71 3h0r n ASP 63 N -2.57 4.11 -3.93 -0.19 2.03 -1.26 -4.91 116.55 109.83 3h0r n ASP 63 Ca 0.14 -2.87 -0.24 0.00 0.52 0.00 0.00 54.79 52.34 3h0r n ASP 63 Cb 0.50 -1.64 -0.17 0.00 -0.72 0.00 0.00 41.12 39.10 3h0r n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h0r s GLU 64 N 2.83 1.30 0.24 -0.67 2.02 -1.26 -5.13 118.70 118.03 3h0r s GLU 64 Ca 0.46 -0.23 -0.31 0.00 0.02 0.00 0.00 54.97 54.91 3h0r s GLU 64 Cb 0.14 -1.25 -0.13 0.00 0.10 0.00 0.00 34.13 32.98 3h0r s GLU 64 CO -0.08 -0.12 1.43 -2.30 0.02 0.00 0.00 175.26 174.22 3h0r n PRO 65 N 4.32 2.10 -4.55 0.39 -0.02 -1.26 -5.03 135.00 130.93 3h0r n PRO 65 Ca -0.19 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 3h0r n PRO 65 Cb 0.51 -2.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 3h0r n PRO 65 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3h0r s HIS 66 N 0.01 2.98 -0.41 6.00 3.76 -1.26 -5.06 115.29 121.32 3h0r s HIS 66 Ca 0.69 -0.02 -0.43 0.00 -0.15 0.00 0.00 55.06 55.14 3h0r s HIS 66 Cb -0.64 -1.77 -0.18 0.00 1.11 0.00 0.00 32.58 31.11 3h0r s HIS 66 CO 0.49 0.28 1.77 -2.30 -0.85 0.00 0.00 174.74 174.12 3h0r n PRO 67 N 2.46 0.51 -0.29 8.40 -0.02 -1.26 -4.92 135.00 139.89 3h0r n PRO 67 Ca -0.18 0.18 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 3h0r n PRO 67 Cb 0.53 -1.79 0.29 0.00 -0.02 0.00 0.00 33.50 32.51 3h0r n PRO 67 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h0r s SER 68 N 3.91 -1.09 -0.06 2.55 0.01 -1.26 -4.96 113.70 112.80 3h0r s SER 68 Ca 1.05 1.00 -0.25 0.00 1.31 0.00 0.00 55.95 59.05 3h0r s SER 68 Cb -1.29 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 3h0r s SER 68 CO 0.72 -5.40 0.79 -0.22 0.41 0.00 0.00 173.24 169.54 3h0r s LEU 69 N -7.91 4.32 -0.17 2.44 2.96 -1.26 -4.99 118.68 114.07 3h0r s LEU 69 Ca 0.68 1.32 -0.40 0.00 -0.22 0.00 0.00 54.13 55.51 3h0r s LEU 69 Cb -0.16 -3.24 -0.19 0.00 0.50 0.00 0.00 46.19 43.11 3h0r s LEU 69 CO 0.59 -0.18 1.20 -0.67 -1.32 0.00 0.00 176.35 175.97 3h0r n ASP 70 N 3.93 0.40 0.19 3.68 2.03 -1.26 -4.79 116.55 120.74 3h0r n ASP 70 Ca 0.01 1.11 0.05 0.00 0.52 0.00 0.00 54.79 56.49 3h0r n ASP 70 Cb 0.51 -0.86 0.52 0.00 -0.72 0.00 0.00 41.12 40.57 3h0r n ASP 70 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3h0r h ARG 71 N 3.53 0.11 -0.51 -0.67 2.43 -1.98 -1.65 114.38 115.64 3h0r h ARG 71 Ca -0.46 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.62 3h0r h ARG 71 Cb 1.34 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 3h0r h ARG 71 CO 0.73 0.18 0.02 1.49 -1.51 0.00 0.00 179.97 180.87 3h0r h GLU 72 N 0.11 0.88 -0.55 0.20 4.81 -1.99 -1.94 114.58 116.09 3h0r h GLU 72 Ca 0.03 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 3h0r h GLU 72 Cb 0.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3h0r h GLU 72 CO 0.01 0.91 0.09 0.87 -0.73 0.00 0.00 179.01 180.16 3h0r h LYS 73 N 0.75 0.92 -0.35 1.92 1.57 -1.78 0.38 116.57 119.97 3h0r h LYS 73 Ca 0.15 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3h0r h LYS 73 Cb 0.50 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3h0r h LYS 73 CO 0.02 0.88 0.23 0.00 -0.57 0.00 0.00 179.45 180.02 3h0r h ALA 74 N 1.00 1.86 0.00 3.86 0.00 -1.05 -2.89 119.26 122.03 3h0r h ALA 74 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h0r h ALA 74 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h0r h ALA 74 CO 0.01 0.10 -1.80 1.28 0.00 0.00 0.00 179.25 178.84 3h0r n LEU 75 N -4.49 0.02 -0.45 0.00 7.99 -0.75 -4.69 117.00 114.63 3h0r n LEU 75 Ca 0.03 -0.01 0.39 0.00 -0.01 0.00 0.00 56.01 56.41 3h0r n LEU 75 Cb 0.14 0.00 0.72 0.00 -0.11 0.00 0.00 43.42 44.16 3h0r n LEU 75 CO 0.35 0.00 1.33 0.00 -1.51 0.00 0.00 177.39 177.57 3h0r h MET 76 N 0.00 0.07 -0.01 3.23 -0.00 -0.69 0.73 114.93 118.26 3h0r h MET 76 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3h0r h MET 76 Cb 0.81 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.40 3h0r h MET 76 CO 0.00 0.05 -0.28 0.09 -0.00 0.00 0.00 176.91 176.77 3h0r n ASN 77 N -4.29 1.05 -4.72 -0.10 3.02 -1.26 -4.94 115.26 104.01 3h0r n ASN 77 Ca 0.33 -0.89 -0.42 0.00 -0.03 0.00 0.00 54.58 53.57 3h0r n ASN 77 Cb 1.44 0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 40.74 3h0r n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0r s ALA 78 N -2.52 3.89 0.53 5.41 0.00 0.25 -4.86 121.76 124.46 3h0r s ALA 78 Ca 0.24 1.56 0.23 0.00 0.00 0.00 0.00 51.96 53.98 3h0r s ALA 78 Cb 0.19 -3.68 1.36 0.00 0.00 0.00 0.00 23.12 21.00 3h0r s ALA 78 CO 0.53 -0.91 2.04 -1.35 0.00 0.00 0.00 175.76 176.07 3h0r h PRO 79 N 6.48 0.00 -2.04 0.00 0.11 -1.92 -3.42 132.00 131.22 3h0r h PRO 79 Ca -0.44 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.73 3h0r h PRO 79 Cb 1.20 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.11 3h0r h PRO 79 CO 0.93 0.00 -0.12 -2.00 -0.21 0.00 0.00 178.00 176.59 3h0r s GLU 80 N -5.03 0.58 0.37 1.05 2.12 -1.26 -5.10 118.70 111.44 3h0r s GLU 80 Ca -0.05 1.40 0.07 0.00 0.36 0.00 0.00 54.97 56.75 3h0r s GLU 80 Cb 0.19 0.74 -0.07 0.00 0.26 0.00 0.00 34.13 35.25 3h0r s GLU 80 CO 0.71 -0.20 -0.02 -0.98 -0.54 0.00 0.00 175.26 174.24 3h0r s ARG 81 N 2.70 1.85 -0.30 4.30 1.70 -1.26 -0.44 118.95 127.50 3h0r s ARG 81 Ca -0.06 -2.02 -0.12 0.00 -0.47 0.00 0.00 55.73 53.06 3h0r s ARG 81 Cb -0.11 -1.54 0.17 0.00 -0.57 0.00 0.00 34.95 32.91 3h0r s ARG 81 CO -0.19 -0.00 0.96 0.21 -1.08 0.00 0.00 175.30 175.20 3h0r s LYS 82 N -3.70 0.28 -1.22 3.89 2.20 -0.20 -4.84 119.74 116.14 3h0r s LYS 82 Ca 0.34 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 3h0r s LYS 82 Cb 0.07 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 3h0r s LYS 82 CO 0.17 -0.23 0.00 -0.25 -0.36 0.00 0.00 175.35 174.67 3h0r n ASP 83 N 5.29 -4.27 0.00 1.43 8.00 -1.26 -0.85 116.55 124.89 3h0r n ASP 83 Ca -0.07 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3h0r n ASP 83 Cb 0.53 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.40 3h0r n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0r n GLY 84 N -1.18 0.63 3.49 0.44 0.00 -1.26 -5.09 105.19 102.22 3h0r n GLY 84 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3h0r n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0r s PHE 85 N -2.45 2.66 0.18 1.61 0.08 -0.03 -5.09 117.98 114.93 3h0r s PHE 85 Ca 0.00 -0.19 -0.30 0.00 0.12 0.00 0.00 56.93 56.56 3h0r s PHE 85 Cb 0.00 -1.54 -0.08 0.00 -0.57 0.00 0.00 43.02 40.83 3h0r s PHE 85 CO 0.00 0.25 1.31 -0.06 -0.10 0.00 0.00 175.22 176.62 3h0r s PHE 86 N -0.89 3.28 -0.09 0.36 0.08 -1.26 -1.04 117.98 118.42 3h0r s PHE 86 Ca 0.14 1.20 -0.01 0.00 0.12 0.00 0.00 56.93 58.38 3h0r s PHE 86 Cb -0.11 -3.59 -0.03 0.00 -0.57 0.00 0.00 43.02 38.72 3h0r s PHE 86 CO 0.04 -1.88 -0.04 0.08 -0.10 0.00 0.00 175.22 173.33 3h0r s VAL 87 N 0.31 3.98 0.09 -0.44 1.01 0.41 -4.90 120.40 120.85 3h0r s VAL 87 Ca 0.58 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 3h0r s VAL 87 Cb -0.36 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3h0r s VAL 87 CO 0.36 0.58 0.02 0.68 0.00 0.00 0.00 175.10 176.74 3h0r s VAL 88 N -0.57 0.17 0.42 2.92 -7.23 -1.26 -4.57 120.40 110.28 3h0r s VAL 88 Ca 0.09 -1.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.20 3h0r s VAL 88 Cb -0.12 -1.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.98 3h0r s VAL 88 CO 0.02 -0.75 1.01 -0.81 -0.31 0.00 0.00 175.10 174.26 3h0r n PRO 89 N 0.01 1.35 -1.57 4.82 -0.04 -1.26 -4.84 135.00 133.47 3h0r n PRO 89 Ca -0.10 0.49 -0.48 0.00 -0.04 0.00 0.00 63.50 63.36 3h0r n PRO 89 Cb 0.62 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 3h0r n PRO 89 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3h0r n ARG 90 N 0.12 1.14 0.00 0.54 0.63 -1.26 -5.01 116.66 112.81 3h0r n ARG 90 Ca 0.09 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 3h0r n ARG 90 Cb 0.39 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.46 3h0r n ARG 90 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3h0r n VAL 91 N 1.09 0.00 0.00 5.15 0.24 -1.26 -5.33 118.33 118.22 3h0r n VAL 91 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 3h0r n VAL 91 Cb 0.26 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 3h0r n VAL 91 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24