#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hci n GLN 3 N 0.00 4.11 -4.10 -1.46 10.64 -1.26 -4.95 117.38 120.36 3hci n GLN 3 Ca 0.00 -3.00 -0.33 0.00 -1.83 0.00 0.00 57.00 51.84 3hci n GLN 3 Cb 0.00 -2.06 -0.07 0.00 -0.86 0.00 0.00 30.24 27.25 3hci n GLN 3 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3hci s PHE 4 N -2.56 3.30 -0.38 2.61 0.08 -1.26 -1.99 117.98 117.78 3hci s PHE 4 Ca 0.50 0.23 -0.29 0.00 0.12 0.00 0.00 56.93 57.48 3hci s PHE 4 Cb 0.37 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3hci s PHE 4 CO 0.16 0.56 1.09 0.34 -0.10 0.00 0.00 175.22 177.26 3hci s ASP 5 N -1.64 6.81 0.00 1.36 -1.08 -1.26 -4.90 116.67 115.95 3hci s ASP 5 Ca 0.22 0.81 0.22 0.00 -0.52 0.00 0.00 52.55 53.29 3hci s ASP 5 Cb -0.12 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.42 3hci s ASP 5 CO 0.13 -1.02 1.52 0.18 0.52 0.00 0.00 175.17 176.50 3hci n LEU 6 N 7.22 3.90 -4.67 -1.34 4.77 -1.26 -4.96 117.00 120.66 3hci n LEU 6 Ca 0.12 -1.95 -0.49 0.00 -0.03 0.00 0.00 56.01 53.66 3hci n LEU 6 Cb 0.48 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 3hci n LEU 6 CO 0.64 0.96 1.27 0.41 -1.33 0.00 0.00 177.39 179.34 3hci n THR 7 N 1.61 0.22 -1.64 -5.08 -1.04 -1.26 -4.53 114.28 102.56 3hci n THR 7 Ca 0.24 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.83 3hci n THR 7 Cb 0.62 -1.53 0.05 0.00 -1.82 0.00 0.00 70.33 67.65 3hci n THR 7 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3hci n PRO 8 N 4.55 1.04 -1.84 -2.82 -0.02 -1.26 -4.96 135.00 129.70 3hci n PRO 8 Ca 0.20 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 3hci n PRO 8 Cb 0.26 -2.24 0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3hci n PRO 8 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hci s PRO 9 N -2.77 2.85 0.77 0.52 0.04 -1.26 -5.02 135.00 130.13 3hci s PRO 9 Ca 0.75 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 63.17 3hci s PRO 9 Cb -0.42 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.23 3hci s PRO 9 CO 0.47 -1.23 1.14 -1.54 0.04 0.00 0.00 177.00 175.88 3hci s SER 10 N -2.29 4.21 0.27 6.66 1.04 -1.26 -4.68 113.70 117.65 3hci s SER 10 Ca 0.70 2.08 -0.00 0.00 0.48 0.00 0.00 55.95 59.20 3hci s SER 10 Cb -0.23 -2.56 0.58 0.00 0.10 0.00 0.00 66.02 63.91 3hci s SER 10 CO 0.38 -2.24 1.73 -0.65 0.98 0.00 0.00 173.24 173.44 3hci h PRO 11 N -0.80 0.46 -0.25 4.02 0.11 -1.99 0.39 132.00 133.94 3hci h PRO 11 Ca -0.45 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3hci h PRO 11 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hci h PRO 11 CO 0.49 0.31 -0.23 0.00 -0.21 0.00 0.00 178.00 178.36 3hci h ALA 12 N 1.61 1.14 -0.38 -0.75 0.00 -1.99 -1.61 119.26 117.28 3hci h ALA 12 Ca 0.48 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3hci h ALA 12 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hci h ALA 12 CO -0.44 0.54 -0.33 1.96 0.00 0.00 0.00 179.25 180.98 3hci h GLN 13 N 0.41 0.89 -0.03 0.00 4.20 -1.44 -2.25 115.11 116.88 3hci h GLN 13 Ca 0.06 -0.45 0.03 0.00 0.06 0.00 0.00 58.65 58.35 3hci h GLN 13 Cb 0.64 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 3hci h GLN 13 CO 0.05 1.10 -0.14 0.00 -0.67 0.00 0.00 178.83 179.16 3hci h ARG 14 N 0.70 -0.21 -0.99 1.46 3.08 -0.00 -1.74 114.38 116.68 3hci h ARG 14 Ca 0.07 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.21 3hci h ARG 14 Cb 0.92 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.94 3hci h ARG 14 CO 0.08 -0.14 0.64 -0.44 -1.07 0.00 0.00 179.97 179.04 3hci h ASP 15 N -0.22 0.99 -0.72 7.04 3.32 -1.28 -0.82 116.42 124.73 3hci h ASP 15 Ca 0.06 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3hci h ASP 15 Cb 0.30 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3hci h ASP 15 CO -0.16 0.61 0.32 0.00 -1.72 0.00 0.00 179.24 178.28 3hci h ALA 16 N 1.49 0.93 -0.07 3.45 0.00 -0.95 -2.02 119.26 122.09 3hci h ALA 16 Ca 0.44 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 3hci h ALA 16 Cb 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hci h ALA 16 CO -0.19 0.52 -0.80 -0.07 0.00 0.00 0.00 179.25 178.71 3hci h LEU 17 N 1.02 0.55 -0.39 0.00 3.38 -0.60 -3.28 115.31 115.98 3hci h LEU 17 Ca 0.24 -0.39 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 3hci h LEU 17 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hci h LEU 17 CO -0.03 1.15 -0.36 0.40 0.09 0.00 0.00 178.44 179.70 3hci h ILE 18 N 0.30 1.27 0.00 1.22 2.04 -1.07 -3.23 117.51 118.03 3hci h ILE 18 Ca -0.05 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.28 3hci h ILE 18 Cb 1.39 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3hci h ILE 18 CO 0.14 0.51 0.13 0.00 0.00 0.00 0.00 178.15 178.94 3hci h ALA 19 N 0.78 1.12 -0.50 1.87 0.00 -1.42 -1.48 119.26 119.63 3hci h ALA 19 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hci h ALA 19 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hci h ALA 19 CO 0.09 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.63 3hci n GLY 20 N -1.18 1.59 3.88 0.00 0.00 -1.22 -4.97 105.19 103.29 3hci n GLY 20 Ca -0.02 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 3hci n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hci s LEU 21 N -1.18 4.33 0.91 0.99 1.43 -0.56 -5.10 118.68 119.50 3hci s LEU 21 Ca 0.39 0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 3hci s LEU 21 Cb 0.21 -3.02 0.14 0.00 0.03 0.00 0.00 46.19 43.55 3hci s LEU 21 CO 0.28 0.15 1.09 -0.94 0.23 0.00 0.00 176.35 177.17 3hci s SER 22 N -1.92 3.24 0.25 2.29 1.04 -1.26 -4.84 113.70 112.50 3hci s SER 22 Ca 0.34 1.60 -0.04 0.00 0.48 0.00 0.00 55.95 58.33 3hci s SER 22 Cb -0.13 -2.26 0.38 0.00 0.10 0.00 0.00 66.02 64.10 3hci s SER 22 CO 0.19 -2.80 1.84 0.44 0.98 0.00 0.00 173.24 173.89 3hci h ASP 23 N -1.66 0.82 -0.60 7.02 3.32 -1.99 -0.96 116.42 122.37 3hci h ASP 23 Ca -0.49 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 3hci h ASP 23 Cb 1.28 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 3hci h ASP 23 CO 0.52 0.50 0.26 -0.08 -1.72 0.00 0.00 179.24 178.72 3hci h GLU 24 N 0.94 0.89 -0.40 3.56 4.57 -1.99 0.21 114.58 122.36 3hci h GLU 24 Ca 0.40 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 58.34 3hci h GLU 24 Cb 0.25 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3hci h GLU 24 CO -0.20 0.74 -0.12 0.93 -1.18 0.00 0.00 179.01 179.18 3hci h GLU 25 N 0.83 0.71 -0.26 1.92 5.08 -1.80 -2.30 114.58 118.77 3hci h GLU 25 Ca 0.20 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3hci h GLU 25 Cb 0.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3hci h GLU 25 CO -0.02 0.81 -0.09 1.96 -1.00 0.00 0.00 179.01 180.67 3hci h GLN 26 N 0.65 0.51 -0.27 2.33 4.20 -0.85 -1.03 115.11 120.65 3hci h GLN 26 Ca 0.11 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.67 3hci h GLN 26 Cb 0.57 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 3hci h GLN 26 CO 0.04 0.74 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.79 3hci h ARG 27 N 0.25 0.01 0.04 1.46 2.43 -0.46 -0.95 114.38 117.17 3hci h ARG 27 Ca 0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hci h ARG 27 Cb 0.57 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3hci h ARG 27 CO 0.03 0.01 -0.02 0.28 -1.51 0.00 0.00 179.97 178.76 3hci h VAL 28 N 0.01 0.89 -0.49 0.20 2.07 -1.46 -1.95 116.25 115.52 3hci h VAL 28 Ca 0.13 -1.56 -0.13 0.00 0.82 0.00 0.00 66.70 65.96 3hci h VAL 28 Cb 0.19 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3hci h VAL 28 CO -0.27 0.29 -0.21 -0.07 0.02 0.00 0.00 177.57 177.33 3hci h LEU 29 N -0.97 1.04 0.00 2.57 3.38 -1.26 -2.99 115.31 117.08 3hci h LEU 29 Ca -0.01 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 3hci h LEU 29 Cb 0.51 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hci h LEU 29 CO 0.01 1.20 -1.82 0.18 0.09 0.00 0.00 178.44 178.09 3hci n LEU 30 N -4.11 0.00 -0.02 1.67 4.77 -0.39 -0.99 117.00 117.93 3hci n LEU 30 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3hci n LEU 30 Cb 0.46 0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.66 3hci n LEU 30 CO 0.47 0.07 0.52 1.41 -1.33 0.00 0.00 177.39 178.53 3hci n HIS 31 N -2.18 0.00 -2.18 -1.77 8.25 -1.03 -5.00 115.22 111.31 3hci n HIS 31 Ca -0.07 -0.65 -0.12 0.00 -0.26 0.00 0.00 57.72 56.61 3hci n HIS 31 Cb 0.55 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 3hci n HIS 31 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hci n HIS 32 N -0.79 -0.54 -1.82 4.41 8.25 -1.14 -4.92 115.22 118.67 3hci n HIS 32 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.21 3hci n HIS 32 Cb 0.37 -2.69 0.04 0.00 1.12 0.00 0.00 29.99 28.84 3hci n HIS 32 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3hci s GLY 33 N -2.48 1.64 -0.06 -1.41 0.00 -0.76 -4.98 107.32 99.28 3hci s GLY 33 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.55 3hci s GLY 33 CO 0.00 0.12 -0.21 -1.59 0.00 0.00 0.00 173.10 171.42 3hci s THR 34 N -3.26 2.44 0.58 0.90 2.01 -1.26 -4.55 115.64 112.49 3hci s THR 34 Ca 0.58 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 3hci s THR 34 Cb -0.12 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 3hci s THR 34 CO 0.53 0.57 1.08 -1.83 -0.69 0.00 0.00 174.62 174.28 3hci s GLU 35 N -0.33 3.28 0.45 4.92 -1.05 -1.26 -5.01 118.70 119.69 3hci s GLU 35 Ca 0.02 1.35 -0.25 0.00 -0.15 0.00 0.00 54.97 55.95 3hci s GLU 35 Cb -0.12 -2.02 -0.08 0.00 -0.44 0.00 0.00 34.13 31.47 3hci s GLU 35 CO 0.02 -0.86 1.32 0.00 0.95 0.00 0.00 175.26 176.69 3hci s ALA 36 N -2.22 3.13 0.58 -0.84 0.00 -1.26 -4.96 121.76 116.19 3hci s ALA 36 Ca 0.67 1.26 -0.20 0.00 0.00 0.00 0.00 51.96 53.68 3hci s ALA 36 Cb -0.19 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3hci s ALA 36 CO 0.33 -0.99 1.31 -0.35 0.00 0.00 0.00 175.76 176.06 3hci n PRO 37 N -0.26 1.45 -1.62 0.00 -0.04 -1.26 -2.80 135.00 130.46 3hci n PRO 37 Ca 0.06 0.54 -0.17 0.00 -0.04 0.00 0.00 63.50 63.89 3hci n PRO 37 Cb 0.44 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.31 3hci n PRO 37 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hci n PHE 38 N -1.36 -0.12 0.20 0.54 3.72 0.47 -4.86 117.46 116.06 3hci n PHE 38 Ca 0.12 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.57 3hci n PHE 38 Cb 0.46 -3.03 -0.06 0.00 -0.94 0.00 0.00 39.48 35.90 3hci n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hci s GLY 40 N -2.48 2.13 0.21 0.00 0.00 -1.26 -4.94 107.32 100.98 3hci s GLY 40 Ca -0.00 1.21 -0.09 0.00 0.00 0.00 0.00 44.72 45.85 3hci s GLY 40 CO 0.38 2.30 1.73 -2.08 0.00 0.00 0.00 173.10 175.44 3hci h VAL 41 N 3.88 0.73 -0.11 1.40 2.07 -1.96 -2.45 116.25 119.82 3hci h VAL 41 Ca -0.44 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3hci h VAL 41 Cb 1.21 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3hci h VAL 41 CO 0.82 0.07 0.00 0.49 0.02 0.00 0.00 177.57 178.98 3hci n PHE 42 N -5.02 0.14 -0.32 1.57 3.72 -1.26 -4.37 117.46 111.92 3hci n PHE 42 Ca 0.10 -0.07 0.09 0.00 -0.05 0.00 0.00 57.45 57.52 3hci n PHE 42 Cb 0.30 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.10 3hci n PHE 42 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3hci h LEU 43 N 1.57 0.64 -3.04 4.37 5.85 -1.83 -2.23 115.31 120.64 3hci h LEU 43 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hci h LEU 43 Cb 0.34 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3hci h LEU 43 CO 0.00 0.25 0.00 0.47 -0.34 0.00 0.00 178.44 178.82 3hci n ASP 44 N -4.82 3.27 -4.72 1.25 8.00 -1.26 -4.74 116.55 113.52 3hci n ASP 44 Ca 0.19 -2.42 -0.42 0.00 0.71 0.00 0.00 54.79 52.86 3hci n ASP 44 Cb 0.48 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3hci n ASP 44 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3hci s ASN 45 N -1.40 6.50 0.00 -2.24 2.47 -0.84 -4.90 114.94 114.53 3hci s ASN 45 Ca 0.30 2.72 0.00 0.00 0.42 0.00 0.00 52.86 56.30 3hci s ASN 45 Cb 0.21 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 3hci s ASN 45 CO 0.12 -0.89 0.16 0.29 -3.72 0.00 0.00 177.10 173.07 3hci n LYS 46 N 3.95 2.68 -1.79 0.43 5.02 -1.26 -5.07 118.16 122.13 3hci n LYS 46 Ca 0.15 -0.16 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 3hci n LYS 46 Cb 0.37 -0.59 0.06 0.00 -0.02 0.00 0.00 35.03 34.85 3hci n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hci s LEU 47 N -0.86 3.64 0.19 -0.35 1.43 -1.26 -4.97 118.68 116.50 3hci s LEU 47 Ca 0.00 2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 3hci s LEU 47 Cb 0.00 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.59 3hci s LEU 47 CO 0.00 -1.87 1.14 -1.81 0.23 0.00 0.00 176.35 174.04 3hci s ASP 48 N -1.33 7.19 0.00 2.29 1.01 -1.26 -4.84 116.67 119.74 3hci s ASP 48 Ca 0.80 2.17 0.00 0.00 0.71 0.00 0.00 52.55 56.23 3hci s ASP 48 Cb -0.37 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 40.95 3hci s ASP 48 CO 0.40 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 176.12 3hci n GLY 49 N 1.99 -1.25 3.32 0.21 0.00 -1.26 -1.84 105.19 106.35 3hci n GLY 49 Ca 0.03 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 3hci n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hci s VAL 50 N -2.67 2.87 -0.14 1.61 1.01 0.62 -1.09 120.40 122.61 3hci s VAL 50 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 3hci s VAL 50 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3hci s VAL 50 CO 0.00 0.51 0.69 -0.31 0.00 0.00 0.00 175.10 176.00 3hci s TYR 51 N 0.62 3.46 0.29 5.22 2.02 0.11 -1.17 117.35 127.91 3hci s TYR 51 Ca -0.08 1.11 0.09 0.00 -0.37 0.00 0.00 57.07 57.82 3hci s TYR 51 Cb -0.16 -2.84 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 3hci s TYR 51 CO 0.03 -0.08 0.04 0.95 -1.57 0.00 0.00 175.55 174.92 3hci s THR 52 N 1.52 3.34 0.13 -0.71 -4.23 0.12 -0.60 115.64 115.20 3hci s THR 52 Ca 0.34 -1.84 -0.31 0.00 -1.18 0.00 0.00 61.69 58.70 3hci s THR 52 Cb -0.17 -2.90 -0.10 0.00 1.34 0.00 0.00 72.50 70.67 3hci s THR 52 CO 0.13 -0.31 1.64 0.00 -0.54 0.00 0.00 174.62 175.54 3hci h ARG 54 N 7.51 0.00 0.00 0.00 1.12 -1.56 0.19 114.38 121.64 3hci h ARG 54 Ca -0.43 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.38 3hci h ARG 54 Cb 1.20 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.16 3hci h ARG 54 CO 0.93 0.20 -0.33 1.25 -3.11 0.00 0.00 179.97 178.91 3hci h LEU 55 N 0.00 0.00 -0.85 3.80 5.85 -1.91 -3.42 115.31 118.78 3hci h LEU 55 Ca -0.00 -0.79 0.00 0.00 0.84 0.00 0.00 57.88 57.92 3hci h LEU 55 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3hci h LEU 55 CO 0.03 1.09 -0.03 0.00 -0.34 0.00 0.00 178.44 179.18 3hci n GLY 57 N 0.40 0.65 3.68 0.00 0.00 0.65 -4.42 105.19 106.15 3hci n GLY 57 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3hci n GLY 57 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hci s LEU 58 N 0.00 4.33 -0.16 0.99 2.96 -1.26 -4.44 118.68 121.10 3hci s LEU 58 Ca 0.00 2.29 -0.35 0.00 -0.22 0.00 0.00 54.13 55.84 3hci s LEU 58 Cb 0.00 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.01 3hci s LEU 58 CO 0.00 -0.84 1.90 -2.65 -1.32 0.00 0.00 176.35 173.43 3hci n PRO 59 N 5.98 1.84 -0.07 0.98 -0.02 -1.26 -0.24 135.00 142.21 3hci n PRO 59 Ca 0.15 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.19 3hci n PRO 59 Cb 0.42 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 3hci n PRO 59 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hci n LEU 60 N 6.90 2.74 -3.89 2.45 4.77 0.23 -4.72 117.00 125.47 3hci n LEU 60 Ca 0.26 -0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3hci n LEU 60 Cb 0.26 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 40.76 3hci n LEU 60 CO 0.75 0.68 -0.25 -0.36 -1.33 0.00 0.00 177.39 176.88 3hci s PHE 61 N -2.27 0.05 -0.05 -1.77 0.08 -0.90 0.26 117.98 113.38 3hci s PHE 61 Ca -0.19 -0.10 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 3hci s PHE 61 Cb 0.05 -0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.41 3hci s PHE 61 CO 0.31 -0.18 0.15 1.03 -0.10 0.00 0.00 175.22 176.43 3hci s ARG 62 N -0.91 3.38 0.58 0.44 0.52 -1.26 0.09 118.95 121.79 3hci s ARG 62 Ca -0.10 -0.28 0.27 0.00 -0.52 0.00 0.00 55.73 55.10 3hci s ARG 62 Cb -0.06 -3.09 1.65 0.00 0.52 0.00 0.00 34.95 33.97 3hci s ARG 62 CO 0.00 0.71 2.15 0.66 0.02 0.00 0.00 175.30 178.84 3hci h SER 63 N 4.25 0.00 0.75 0.23 4.64 -1.43 -0.92 113.55 121.07 3hci h SER 63 Ca -0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 3hci h SER 63 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3hci h SER 63 CO 0.64 0.00 -0.13 0.78 -0.87 0.00 0.00 176.83 177.26 3hci h ASN 64 N 0.00 0.00 -0.16 4.97 2.35 -1.92 -2.78 115.58 118.04 3hci h ASN 64 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3hci h ASN 64 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3hci h ASN 64 CO -0.00 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.91 3hci n ALA 65 N -2.20 2.51 -2.05 -0.83 0.00 -0.35 -4.94 120.51 112.66 3hci n ALA 65 Ca -0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 53.44 52.50 3hci n ALA 65 Cb 0.33 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 3hci n ALA 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hci s LYS 66 N -1.80 4.27 0.13 0.00 2.20 -1.05 -0.96 119.74 122.53 3hci s LYS 66 Ca 0.34 0.92 -0.16 0.00 -0.36 0.00 0.00 55.97 56.71 3hci s LYS 66 Cb 0.19 -2.78 0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3hci s LYS 66 CO 0.28 0.33 0.40 -0.59 -0.36 0.00 0.00 175.35 175.42 3hci s PHE 67 N -1.62 -0.19 -0.46 4.03 -0.71 -0.94 -4.95 117.98 113.13 3hci s PHE 67 Ca 0.46 -0.13 -0.23 0.00 -1.04 0.00 0.00 56.93 56.00 3hci s PHE 67 Cb -0.16 0.26 0.03 0.00 -1.21 0.00 0.00 43.02 41.94 3hci s PHE 67 CO 0.21 -0.71 0.79 0.34 -1.34 0.00 0.00 175.22 174.51 3hci s ASP 68 N -2.81 6.39 0.23 1.98 2.15 -1.26 -3.88 116.67 119.47 3hci s ASP 68 Ca 0.03 -0.19 0.20 0.00 0.43 0.00 0.00 52.55 53.03 3hci s ASP 68 Cb 0.02 -2.39 0.05 0.00 -0.30 0.00 0.00 42.92 40.30 3hci s ASP 68 CO -0.12 -0.95 1.17 0.77 -0.17 0.00 0.00 175.17 175.88 3hci h SER 69 N 9.02 0.00 0.00 -0.34 4.64 -1.93 -3.48 113.55 121.46 3hci h SER 69 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3hci h SER 69 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3hci h SER 69 CO 0.97 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.76 3hci n GLY 70 N 1.22 0.59 0.08 -0.77 0.00 -1.26 -4.95 105.19 100.10 3hci n GLY 70 Ca -0.01 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.82 3hci n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hci n THR 71 N -2.77 0.59 0.00 2.61 -2.24 -1.26 -4.97 114.28 106.24 3hci n THR 71 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3hci n THR 71 Cb 0.00 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3hci n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hci n GLY 72 N 1.29 0.78 3.17 3.38 0.00 -1.26 -4.73 105.19 107.82 3hci n GLY 72 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 3hci n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hci s TRP 73 N -2.00 1.60 0.16 1.61 0.51 -1.26 -0.39 118.94 119.17 3hci s TRP 73 Ca 0.00 -0.31 -0.34 0.00 -2.12 0.00 0.00 56.10 53.33 3hci s TRP 73 Cb 0.00 -1.03 -0.14 0.00 -0.81 0.00 0.00 33.47 31.49 3hci s TRP 73 CO 0.00 -0.04 1.58 -0.35 -0.51 0.00 0.00 176.95 177.63 3hci n PRO 74 N 2.67 2.16 -4.69 4.98 -0.04 -1.25 -4.75 135.00 134.09 3hci n PRO 74 Ca -0.15 0.78 -0.30 0.00 -0.04 0.00 0.00 63.50 63.79 3hci n PRO 74 Cb 0.54 -2.55 -0.14 0.00 -0.04 0.00 0.00 33.50 31.31 3hci n PRO 74 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3hci s SER 75 N 0.90 3.32 0.03 3.54 0.01 -1.25 -1.53 113.70 118.72 3hci s SER 75 Ca 0.78 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.44 3hci s SER 75 Cb -0.67 -0.31 -0.02 0.00 0.21 0.00 0.00 66.02 65.22 3hci s SER 75 CO 0.38 0.23 -0.06 -0.36 0.41 0.00 0.00 173.24 173.84 3hci s PHE 76 N -0.92 0.55 -2.80 2.43 0.08 -0.64 -2.21 117.98 114.47 3hci s PHE 76 Ca 0.13 -0.49 0.24 0.00 0.12 0.00 0.00 56.93 56.94 3hci s PHE 76 Cb -0.10 -0.34 0.40 0.00 -0.57 0.00 0.00 43.02 42.41 3hci s PHE 76 CO 0.04 -0.11 1.38 1.97 -0.10 0.00 0.00 175.22 178.40 3hci n PHE 77 N 1.57 0.09 -3.62 0.36 -1.74 -0.13 -0.27 117.46 113.73 3hci n PHE 77 Ca -0.23 -0.05 -0.07 0.00 -0.56 0.00 0.00 57.45 56.55 3hci n PHE 77 Cb 0.55 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.49 3hci n PHE 77 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3hci s ALA 78 N -1.91 -2.03 0.78 1.98 0.00 -1.26 -4.63 121.76 114.69 3hci s ALA 78 Ca 0.32 1.73 -0.11 0.00 0.00 0.00 0.00 51.96 53.90 3hci s ALA 78 Cb 0.21 -1.20 0.06 0.00 0.00 0.00 0.00 23.12 22.18 3hci s ALA 78 CO 0.31 -0.25 1.09 -1.25 0.00 0.00 0.00 175.76 175.66 3hci s PRO 79 N -0.70 2.25 0.31 0.00 0.04 -1.26 -4.65 135.00 130.98 3hci s PRO 79 Ca 0.03 0.71 0.04 0.00 0.04 0.00 0.00 61.00 61.83 3hci s PRO 79 Cb -0.02 -1.93 0.67 0.00 0.04 0.00 0.00 34.50 33.26 3hci s PRO 79 CO -0.05 -1.52 1.83 -0.92 0.04 0.00 0.00 177.00 176.38 3hci h TYR 80 N -1.02 1.04 -2.48 0.56 3.20 -0.49 -3.42 116.97 114.37 3hci h TYR 80 Ca -0.46 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.35 3hci h TYR 80 Cb 1.26 -0.33 -0.23 0.00 1.54 0.00 0.00 36.73 38.96 3hci h TYR 80 CO 0.50 0.36 -0.14 0.34 -1.64 0.00 0.00 178.16 177.59 3hci s ASP 81 N -5.65 -0.57 0.54 -2.11 -1.08 -1.26 -4.99 116.67 101.55 3hci s ASP 81 Ca -0.11 1.06 0.29 0.00 -0.52 0.00 0.00 52.55 53.26 3hci s ASP 81 Cb 0.23 1.03 1.45 0.00 -1.46 0.00 0.00 42.92 44.17 3hci s ASP 81 CO 0.80 -0.19 1.93 1.55 0.52 0.00 0.00 175.17 179.78 3hci h PRO 82 N 5.83 0.00 -0.00 4.34 0.13 -1.94 -1.19 132.00 139.17 3hci h PRO 82 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3hci h PRO 82 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hci h PRO 82 CO 0.20 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 177.80 3hci n ALA 83 N -2.65 2.80 0.57 -0.56 0.00 -1.26 -3.99 120.51 115.41 3hci n ALA 83 Ca 0.14 -0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.48 3hci n ALA 83 Cb 0.80 -1.34 0.21 0.00 0.00 0.00 0.00 19.45 19.13 3hci n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hci h HIS 84 N 0.18 0.00 -3.42 0.00 3.86 -1.56 -3.43 115.15 110.78 3hci h HIS 84 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 3hci h HIS 84 Cb 0.44 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 28.58 3hci h HIS 84 CO 0.00 0.00 -0.81 0.08 0.86 0.00 0.00 177.93 178.06 3hci s VAL 85 N -3.16 1.03 0.05 2.45 1.01 -1.26 -1.46 120.40 119.06 3hci s VAL 85 Ca 0.07 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.69 3hci s VAL 85 Cb 0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3hci s VAL 85 CO 0.70 0.33 -0.08 -0.60 0.00 0.00 0.00 175.10 175.44 3hci s ARG 86 N 0.73 2.37 -0.18 2.72 3.52 0.17 -4.81 118.95 123.46 3hci s ARG 86 Ca -0.14 -0.85 -0.10 0.00 -0.13 0.00 0.00 55.73 54.51 3hci s ARG 86 Cb -0.15 -2.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.78 3hci s ARG 86 CO 0.03 0.56 0.15 -1.21 -0.81 0.00 0.00 175.30 174.02 3hci s GLU 87 N -1.74 4.09 -0.04 5.12 2.02 -1.26 -0.90 118.70 125.99 3hci s GLU 87 Ca 0.19 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.02 3hci s GLU 87 Cb -0.11 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.75 3hci s GLU 87 CO 0.10 0.37 -0.06 0.42 0.02 0.00 0.00 175.26 176.11 3hci s ILE 88 N 0.16 0.62 0.17 -1.63 1.01 -0.16 -4.98 121.20 116.39 3hci s ILE 88 Ca 0.10 -0.20 -0.32 0.00 0.00 0.00 0.00 60.65 60.23 3hci s ILE 88 Cb -0.11 -0.61 -0.11 0.00 0.01 0.00 0.00 42.46 41.64 3hci s ILE 88 CO -0.00 0.23 1.73 -0.60 0.00 0.00 0.00 174.94 176.29 3hci s ARG 89 N 0.67 4.14 -0.20 2.79 3.52 -1.26 0.29 118.95 128.91 3hci s ARG 89 Ca -0.10 2.56 0.01 0.00 -0.13 0.00 0.00 55.73 58.08 3hci s ARG 89 Cb -0.13 -3.25 0.04 0.00 -1.56 0.00 0.00 34.95 30.05 3hci s ARG 89 CO 0.01 -0.76 -0.13 0.34 -0.81 0.00 0.00 175.30 173.95 3hci s ASP 90 N 1.66 3.42 -0.28 -2.12 2.15 0.39 -4.83 116.67 117.06 3hci s ASP 90 Ca 0.76 -0.87 0.11 0.00 0.43 0.00 0.00 52.55 52.97 3hci s ASP 90 Cb -0.47 -1.34 0.56 0.00 -0.30 0.00 0.00 42.92 41.37 3hci s ASP 90 CO 0.33 -0.11 1.55 0.35 -0.17 0.00 0.00 175.17 177.13 3hci n THR 91 N 4.64 2.61 -2.68 1.71 -2.24 -1.26 -0.63 114.28 116.43 3hci n THR 91 Ca -0.16 -2.27 -0.32 0.00 -2.27 0.00 0.00 64.05 59.02 3hci n THR 91 Cb 0.47 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 3hci n THR 91 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hci s SER 92 N -2.03 6.78 -0.94 3.42 1.04 -1.26 -3.79 113.70 116.92 3hci s SER 92 Ca 0.47 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.48 3hci s SER 92 Cb 0.40 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 64.02 3hci s SER 92 CO 0.05 -0.44 0.00 -1.22 0.98 0.00 0.00 173.24 172.61 3hci n TYR 93 N -1.03 0.00 -1.25 5.02 4.01 -1.26 -2.99 117.16 119.67 3hci n TYR 93 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 3hci n TYR 93 Cb 0.54 -1.92 -0.04 0.00 -0.31 0.00 0.00 39.34 37.62 3hci n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hci n GLY 94 N -1.36 0.98 3.90 2.72 0.00 -1.25 -5.01 105.19 105.18 3hci n GLY 94 Ca -0.09 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 3hci n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hci s MET 95 N -2.47 2.49 -0.19 1.61 -1.94 -1.16 -5.12 119.30 112.53 3hci s MET 95 Ca 0.00 -1.60 0.01 0.00 -1.71 0.00 0.00 55.69 52.39 3hci s MET 95 Cb 0.00 -2.39 0.02 0.00 2.01 0.00 0.00 34.83 34.47 3hci s MET 95 CO 0.00 -0.32 -0.18 0.08 -0.01 0.00 0.00 175.02 174.58 3hci s VAL 96 N -2.53 2.18 0.19 -6.03 1.01 -1.26 -4.04 120.40 109.93 3hci s VAL 96 Ca 0.48 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3hci s VAL 96 Cb -0.04 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3hci s VAL 96 CO 0.28 0.52 0.07 -0.13 0.00 0.00 0.00 175.10 175.83 3hci s ARG 97 N 1.30 1.17 -0.36 2.72 0.52 0.20 -5.00 118.95 119.51 3hci s ARG 97 Ca 0.05 -1.60 -0.10 0.00 -0.52 0.00 0.00 55.73 53.56 3hci s ARG 97 Cb -0.13 -0.05 0.03 0.00 0.52 0.00 0.00 34.95 35.32 3hci s ARG 97 CO -0.12 -0.26 0.17 0.99 0.02 0.00 0.00 175.30 176.11 3hci s THR 98 N -3.87 4.35 0.42 0.02 2.01 -1.26 -0.46 115.64 116.85 3hci s THR 98 Ca 0.31 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 61.18 3hci s THR 98 Cb 0.07 -3.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 3hci s THR 98 CO 0.08 -0.19 1.04 -0.70 -0.69 0.00 0.00 174.62 174.16 3hci s GLU 99 N 1.52 4.09 -0.13 4.92 2.12 0.15 -1.15 118.70 130.21 3hci s GLU 99 Ca 0.01 1.46 -0.01 0.00 0.36 0.00 0.00 54.97 56.80 3hci s GLU 99 Cb -0.19 -2.43 -0.02 0.00 0.26 0.00 0.00 34.13 31.75 3hci s GLU 99 CO 0.05 -0.20 -0.10 0.96 -0.54 0.00 0.00 175.26 175.44 3hci s ILE 100 N -1.75 3.35 0.25 -3.70 -4.36 -0.45 -0.99 121.20 113.56 3hci s ILE 100 Ca 0.60 -0.56 0.11 0.00 -0.26 0.00 0.00 60.65 60.54 3hci s ILE 100 Cb -0.20 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.04 3hci s ILE 100 CO 0.25 0.52 -0.20 0.68 0.24 0.00 0.00 174.94 176.43 3hci s VAL 101 N 0.22 2.35 0.08 8.37 -7.23 -0.08 -1.74 120.40 122.37 3hci s VAL 101 Ca -0.06 -2.29 -0.31 0.00 -1.81 0.00 0.00 61.98 57.51 3hci s VAL 101 Cb -0.15 -2.22 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 3hci s VAL 101 CO 0.04 -0.35 1.69 0.00 -0.31 0.00 0.00 175.10 176.17 3hci h ALA 103 N 8.45 1.26 0.03 0.00 0.00 -1.53 0.39 119.26 127.86 3hci h ALA 103 Ca -0.43 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 3hci h ALA 103 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3hci h ALA 103 CO 0.93 0.05 -0.71 -0.09 0.00 0.00 0.00 179.25 179.44 3hci h ARG 104 N 0.00 0.05 -0.01 0.00 2.43 -1.80 -3.42 114.38 111.64 3hci h ARG 104 Ca -0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3hci h ARG 104 Cb 0.15 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3hci h ARG 104 CO 0.01 1.04 -0.03 0.00 -1.51 0.00 0.00 179.97 179.48 3hci n ASP 106 N 0.18 -2.85 -4.70 0.00 8.00 0.12 -4.98 116.55 112.32 3hci n ASP 106 Ca 0.03 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.15 3hci n ASP 106 Cb 0.15 -1.63 0.04 0.00 -0.02 0.00 0.00 41.12 39.66 3hci n ASP 106 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3hci n SER 107 N -0.30 2.18 -4.68 -2.24 7.64 -1.26 -4.64 113.62 110.33 3hci n SER 107 Ca 0.00 0.96 -0.43 0.00 1.01 0.00 0.00 58.87 60.41 3hci n SER 107 Cb 0.15 -1.52 -0.02 0.00 -1.01 0.00 0.00 64.21 61.81 3hci n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3hci s HIS 108 N -1.32 3.21 -0.21 1.43 2.46 -0.16 -1.89 115.29 118.81 3hci s HIS 108 Ca 0.71 1.29 -0.01 0.00 0.47 0.00 0.00 55.06 57.52 3hci s HIS 108 Cb -0.44 -3.37 -0.12 0.00 -0.13 0.00 0.00 32.58 28.52 3hci s HIS 108 CO 0.50 -1.03 -0.21 1.28 -2.47 0.00 0.00 174.74 172.81 3hci n LEU 109 N 5.58 2.65 0.00 8.88 4.77 -0.71 -4.33 117.00 133.84 3hci n LEU 109 Ca 0.11 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hci n LEU 109 Cb 0.46 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3hci n LEU 109 CO 0.54 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 3hci n GLY 110 N 2.31 -0.46 3.15 -0.72 0.00 -1.15 -1.61 105.19 106.71 3hci n GLY 110 Ca -0.38 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 3hci n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hci s HIS 111 N -2.33 0.83 -0.11 1.61 3.76 -0.43 -1.34 115.29 117.29 3hci s HIS 111 Ca 0.00 -1.03 0.01 0.00 -0.15 0.00 0.00 55.06 53.89 3hci s HIS 111 Cb 0.00 -0.50 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 3hci s HIS 111 CO 0.00 -0.29 -0.13 0.54 -0.85 0.00 0.00 174.74 174.01 3hci s VAL 112 N -3.79 3.08 0.08 -0.90 0.11 -0.30 0.13 120.40 118.81 3hci s VAL 112 Ca 0.14 -0.67 0.10 0.00 -2.93 0.00 0.00 61.98 58.62 3hci s VAL 112 Cb 0.07 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.62 3hci s VAL 112 CO -0.04 0.54 -0.26 -0.36 -3.33 0.00 0.00 175.10 171.66 3hci s PHE 113 N 0.03 2.23 -0.88 1.54 0.08 0.94 -4.37 117.98 117.55 3hci s PHE 113 Ca -0.04 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.62 3hci s PHE 113 Cb -0.14 -1.27 0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3hci s PHE 113 CO 0.04 0.21 0.60 -0.35 -0.10 0.00 0.00 175.22 175.63 3hci n PRO 114 N 1.38 1.17 -0.36 0.24 -0.04 -1.26 -0.32 135.00 135.81 3hci n PRO 114 Ca -0.18 -0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.21 3hci n PRO 114 Cb 0.53 -1.49 0.24 0.00 -0.04 0.00 0.00 33.50 32.73 3hci n PRO 114 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hci n ASP 115 N 0.06 3.65 -4.41 3.54 5.68 -1.19 -4.77 116.55 119.12 3hci n ASP 115 Ca 0.01 -2.39 -0.29 0.00 -0.50 0.00 0.00 54.79 51.62 3hci n ASP 115 Cb 0.32 -0.41 0.16 0.00 -1.14 0.00 0.00 41.12 40.05 3hci n ASP 115 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3hci s GLY 116 N -1.25 1.65 0.72 6.12 0.00 0.57 -4.85 107.32 110.28 3hci s GLY 116 Ca 0.36 -0.85 -0.09 0.00 0.00 0.00 0.00 44.72 44.14 3hci s GLY 116 CO 0.16 -0.17 0.98 -1.55 0.00 0.00 0.00 173.10 172.53 3hci n PRO 117 N -3.88 -0.72 -1.49 2.90 -0.04 -1.26 -4.26 135.00 126.25 3hci n PRO 117 Ca 0.11 -1.80 -0.37 0.00 -0.04 0.00 0.00 63.50 61.40 3hci n PRO 117 Cb 0.60 -0.93 0.06 0.00 -0.04 0.00 0.00 33.50 33.19 3hci n PRO 117 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3hci n PRO 118 N -3.02 0.63 0.06 0.54 -0.02 -1.26 -1.77 135.00 130.16 3hci n PRO 118 Ca 0.13 0.25 0.12 0.00 -2.02 0.00 0.00 63.50 61.98 3hci n PRO 118 Cb 0.46 -1.99 0.10 0.00 -0.02 0.00 0.00 33.50 32.06 3hci n PRO 118 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hci n PRO 119 N -0.83 0.36 0.00 0.52 -0.05 -1.26 -4.81 135.00 128.93 3hci n PRO 119 Ca 0.13 0.07 0.00 0.00 -0.05 0.00 0.00 63.50 63.65 3hci n PRO 119 Cb 0.48 -1.70 0.00 0.00 -0.05 0.00 0.00 33.50 32.24 3hci n PRO 119 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 3hci n THR 120 N -2.20 0.48 -0.99 0.52 -2.24 -1.25 -5.00 114.28 103.59 3hci n THR 120 Ca 0.02 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3hci n THR 120 Cb 0.46 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3hci n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hci n GLY 121 N -0.24 0.38 3.82 3.38 0.00 -0.73 -5.01 105.19 106.79 3hci n GLY 121 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hci n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hci s GLU 122 N -0.55 3.67 -0.19 1.61 2.02 -1.25 -0.32 118.70 123.69 3hci s GLU 122 Ca 0.00 -0.17 -0.02 0.00 0.02 0.00 0.00 54.97 54.79 3hci s GLU 122 Cb 0.00 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.98 3hci s GLU 122 CO 0.00 0.62 -0.08 0.50 0.02 0.00 0.00 175.26 176.32 3hci s ARG 123 N -0.57 3.33 -0.43 1.61 3.52 0.56 -4.34 118.95 122.64 3hci s ARG 123 Ca 0.12 -0.66 -0.19 0.00 -0.13 0.00 0.00 55.73 54.87 3hci s ARG 123 Cb -0.12 -2.86 0.02 0.00 -1.56 0.00 0.00 34.95 30.43 3hci s ARG 123 CO 0.02 -0.10 0.55 -1.01 -0.81 0.00 0.00 175.30 173.96 3hci s HIS 124 N 1.17 3.11 -0.29 5.12 3.76 0.63 -0.04 115.29 128.76 3hci s HIS 124 Ca 0.02 -0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 54.59 3hci s HIS 124 Cb -0.14 -3.14 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 3hci s HIS 124 CO -0.03 -0.79 0.39 0.45 -0.85 0.00 0.00 174.74 173.92 3hci s SER 125 N 1.91 6.26 0.15 1.40 0.15 0.12 -1.62 113.70 122.07 3hci s SER 125 Ca 0.18 0.20 0.10 0.00 0.70 0.00 0.00 55.95 57.12 3hci s SER 125 Cb -0.15 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 3hci s SER 125 CO 0.17 -0.24 -0.18 -0.76 1.20 0.00 0.00 173.24 173.43 3hci s LEU 126 N 2.11 2.68 -0.23 3.45 2.01 -0.58 -1.31 118.68 126.80 3hci s LEU 126 Ca 0.15 -0.64 -0.21 0.00 0.01 0.00 0.00 54.13 53.45 3hci s LEU 126 Cb -0.16 -1.47 -0.02 0.00 0.01 0.00 0.00 46.19 44.55 3hci s LEU 126 CO 0.10 0.15 0.64 0.20 1.01 0.00 0.00 176.35 178.45 3hci s ASN 127 N -2.40 6.63 0.26 2.29 0.01 -0.63 -3.83 114.94 117.27 3hci s ASN 127 Ca 0.20 0.78 -0.01 0.00 -0.71 0.00 0.00 52.86 53.12 3hci s ASN 127 Cb -0.10 -2.35 0.55 0.00 0.41 0.00 0.00 41.25 39.77 3hci s ASN 127 CO 0.11 -0.34 1.75 0.28 -1.51 0.00 0.00 177.10 177.39 3hci h SER 128 N 7.71 0.46 -0.94 -1.22 0.02 -1.93 -1.11 113.55 116.55 3hci h SER 128 Ca -0.28 0.10 0.23 0.00 -0.84 0.00 0.00 61.79 61.00 3hci h SER 128 Cb 1.13 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.64 3hci h SER 128 CO 0.78 0.17 0.63 0.58 -1.14 0.00 0.00 176.83 177.85 3hci h VAL 129 N 0.56 0.62 0.00 2.27 2.07 -1.97 0.24 116.25 120.05 3hci h VAL 129 Ca 0.47 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.88 3hci h VAL 129 Cb 0.71 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3hci h VAL 129 CO -0.39 0.06 0.00 -1.20 0.02 0.00 0.00 177.57 176.06 3hci n SER 130 N -4.49 0.00 -4.45 0.57 7.64 -0.42 -4.86 113.62 107.60 3hci n SER 130 Ca 0.21 0.40 -0.29 0.00 1.01 0.00 0.00 58.87 60.21 3hci n SER 130 Cb 0.79 -0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 3hci n SER 130 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hci s LEU 131 N -2.93 2.54 0.19 -3.43 1.43 0.84 -1.52 118.68 115.82 3hci s LEU 131 Ca 0.13 -0.68 0.09 0.00 -1.03 0.00 0.00 54.13 52.63 3hci s LEU 131 Cb 0.15 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 3hci s LEU 131 CO 0.41 0.16 -0.17 0.00 0.23 0.00 0.00 176.35 176.98 3hci s ALA 132 N -1.26 2.11 -0.04 4.21 0.00 -0.45 -4.73 121.76 121.60 3hci s ALA 132 Ca 0.18 -1.61 0.06 0.00 0.00 0.00 0.00 51.96 50.59 3hci s ALA 132 Cb -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3hci s ALA 132 CO 0.09 0.18 -0.23 0.12 0.00 0.00 0.00 175.76 175.92 3hci s PHE 133 N -2.47 2.18 -0.08 0.00 5.36 -1.26 0.12 117.98 121.84 3hci s PHE 133 Ca 0.20 -0.58 0.02 0.00 -0.96 0.00 0.00 56.93 55.61 3hci s PHE 133 Cb -0.04 -1.43 0.01 0.00 -0.34 0.00 0.00 43.02 41.22 3hci s PHE 133 CO 0.08 -0.16 -0.13 0.99 -1.46 0.00 0.00 175.22 174.54 3hci s THR 134 N -0.23 1.23 0.46 0.12 2.01 -0.31 -5.00 115.64 113.92 3hci s THR 134 Ca -0.00 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 3hci s THR 134 Cb -0.12 -1.13 -0.07 0.00 0.01 0.00 0.00 72.50 71.19 3hci s THR 134 CO 0.02 0.38 1.19 -1.61 -0.69 0.00 0.00 174.62 173.91 3hci s GLU 135 N 0.77 3.73 -0.19 4.92 2.02 -1.26 -0.28 118.70 128.41 3hci s GLU 135 Ca -0.12 1.85 -0.38 0.00 0.02 0.00 0.00 54.97 56.34 3hci s GLU 135 Cb -0.16 -2.43 -0.14 0.00 0.10 0.00 0.00 34.13 31.50 3hci s GLU 135 CO 0.02 -0.60 1.78 -0.25 0.02 0.00 0.00 175.26 176.24 3hci n ASP 136 N -0.46 2.77 0.00 -0.19 8.00 -0.77 -1.83 116.55 124.08 3hci n ASP 136 Ca 0.07 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.61 3hci n ASP 136 Cb 0.47 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 3hci n ASP 136 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hci n GLY 137 N 4.21 2.13 3.76 0.44 0.00 -1.10 -4.96 105.19 109.68 3hci n GLY 137 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3hci n GLY 137 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hci s GLN 138 N -0.00 1.86 0.35 1.61 -1.52 -0.76 -4.46 119.66 116.74 3hci s GLN 138 Ca 0.00 0.90 -0.28 0.00 -1.95 0.00 0.00 55.36 54.03 3hci s GLN 138 Cb 0.00 -1.87 -0.10 0.00 -0.22 0.00 0.00 33.01 30.82 3hci s GLN 138 CO 0.00 -1.84 1.33 -2.14 -0.25 0.00 0.00 175.29 172.39 3hci s PRO 139 N -4.98 4.26 0.41 2.91 0.02 -1.26 -1.81 135.00 134.55 3hci s PRO 139 Ca 0.62 2.26 -0.24 0.00 0.02 0.00 0.00 61.00 63.66 3hci s PRO 139 Cb -0.17 -3.01 -0.08 0.00 0.02 0.00 0.00 34.50 31.26 3hci s PRO 139 CO 0.56 -0.29 1.09 -0.51 -0.33 0.00 0.00 177.00 177.53 3hci s LEU 140 N -1.94 4.11 0.32 -5.54 1.43 -1.26 -4.89 118.68 110.91 3hci s LEU 140 Ca 0.51 2.15 0.03 0.00 -1.03 0.00 0.00 54.13 55.78 3hci s LEU 140 Cb -0.41 -4.18 0.61 0.00 0.03 0.00 0.00 46.19 42.25 3hci s LEU 140 CO 0.54 -0.63 1.91 1.55 0.23 0.00 0.00 176.35 179.96 3hci h PRO 141 N 2.40 0.90 -6.96 1.29 0.13 -1.92 -3.46 132.00 124.38 3hci h PRO 141 Ca -0.49 -0.05 -0.55 0.00 -0.87 0.00 0.00 66.00 64.04 3hci h PRO 141 Cb 1.23 -0.20 -0.10 0.00 0.13 0.00 0.00 31.00 32.06 3hci h PRO 141 CO 0.62 0.59 -0.89 -1.71 -0.23 0.00 0.00 178.00 176.38 3hci n ASN 142 N -4.50 -1.56 0.31 1.44 5.15 -1.26 -4.81 115.26 110.03 3hci n ASN 142 Ca 0.14 -1.16 0.20 0.00 -0.60 0.00 0.00 54.58 53.15 3hci n ASN 142 Cb 0.24 -1.42 1.01 0.00 -0.53 0.00 0.00 39.78 39.08 3hci n ASN 142 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3hci h PRO 143 N -1.81 0.00 -0.00 1.20 0.13 -1.90 -1.44 132.00 128.18 3hci h PRO 143 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3hci h PRO 143 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hci h PRO 143 CO 0.54 0.02 -0.35 1.28 -0.23 0.00 0.00 178.00 179.26 3hci n LEU 144 N -3.24 0.75 -3.29 1.56 4.77 -1.26 -4.96 117.00 111.33 3hci n LEU 144 Ca -0.02 -0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.67 3hci n LEU 144 Cb 0.15 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.13 3hci n LEU 144 CO 0.24 0.15 0.12 1.67 -1.33 0.00 0.00 177.39 178.25 3hci n GLN 145 N -1.05 -6.41 -2.76 3.23 7.27 -0.54 -5.00 117.38 112.13 3hci n GLN 145 Ca 0.09 0.79 -0.24 0.00 0.07 0.00 0.00 57.00 57.72 3hci n GLN 145 Cb 0.34 -5.65 0.02 0.00 2.41 0.00 0.00 30.24 27.36 3hci n GLN 145 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3hci s ARG 146 N -5.43 2.92 0.00 3.69 1.81 -1.26 -5.12 118.95 115.55 3hci s ARG 146 Ca 0.09 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 3hci s ARG 146 Cb -0.04 -2.46 0.00 0.00 -0.45 0.00 0.00 34.95 31.99 3hci s ARG 146 CO 0.68 -0.48 0.00 0.00 -0.68 0.00 0.00 175.30 174.82 3hci n ALA 147 N -2.27 0.00 -0.60 2.13 0.00 -1.26 -4.32 120.51 114.19 3hci n ALA 147 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hci n ALA 147 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3hci n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hci n GLY 148 N 5.00 0.67 0.00 0.00 0.00 -1.26 -3.01 105.19 106.59 3hci n GLY 148 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.31 3hci n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hci n ALA 149 N 5.51 1.78 0.20 4.61 0.00 -0.84 -2.62 120.51 129.15 3hci n ALA 149 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.46 3hci n ALA 149 Cb 0.00 -1.21 0.36 0.00 0.00 0.00 0.00 19.45 18.60 3hci n ALA 149 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hci h GLU 150 N 0.00 0.00 -0.01 0.00 4.81 -1.79 -2.79 114.58 114.80 3hci h GLU 150 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hci h GLU 150 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3hci h GLU 150 CO 0.00 0.28 -0.05 0.25 -0.73 0.00 0.00 179.01 178.75 3hci n THR 151 N -3.37 0.00 -4.10 0.32 -2.24 -1.08 -4.59 114.28 99.22 3hci n THR 151 Ca 0.01 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 3hci n THR 151 Cb 0.49 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 3hci n THR 151 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3hci s GLN 152 N -2.24 2.84 0.94 -0.78 -0.21 -1.05 -4.99 119.66 114.17 3hci s GLN 152 Ca 0.36 -1.12 -0.11 0.00 0.02 0.00 0.00 55.36 54.51 3hci s GLN 152 Cb 0.21 -2.51 0.10 0.00 1.00 0.00 0.00 33.01 31.80 3hci s GLN 152 CO 0.41 0.37 0.81 -0.35 -2.12 0.00 0.00 175.29 174.41 3hci n PRO 153 N -1.17 -0.41 0.00 2.91 -0.04 -1.26 -4.42 135.00 130.60 3hci n PRO 153 Ca -0.07 -0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 3hci n PRO 153 Cb 0.58 -2.14 0.46 0.00 -0.04 0.00 0.00 33.50 32.36 3hci n PRO 153 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46