#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otr s LEU 2 N 0.00 -0.30 0.00 3.17 2.34 -1.26 -4.85 118.68 117.78 2otr s LEU 2 Ca 0.00 1.20 -0.11 0.00 0.06 0.00 0.00 54.13 55.28 2otr s LEU 2 Cb 0.00 2.07 0.16 0.00 -0.56 0.00 0.00 46.19 47.86 2otr s LEU 2 CO 0.00 -0.21 0.69 0.41 -1.06 0.00 0.00 176.35 176.17 2otr n THR 3 N 2.73 0.00 -4.13 5.48 -1.04 -1.18 -4.62 114.28 111.51 2otr n THR 3 Ca -0.14 -0.38 -0.25 0.00 -2.04 0.00 0.00 64.05 61.24 2otr n THR 3 Cb 0.56 -1.33 -0.17 0.00 -1.82 0.00 0.00 70.33 67.57 2otr n THR 3 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2otr s ILE 4 N -2.34 0.95 0.31 12.58 1.09 -1.26 0.29 121.20 132.82 2otr s ILE 4 Ca 0.42 -0.30 0.10 0.00 -1.10 0.00 0.00 60.65 59.78 2otr s ILE 4 Cb -0.03 -0.95 -0.05 0.00 -1.06 0.00 0.00 42.46 40.37 2otr s ILE 4 CO 0.31 0.34 -0.06 -1.61 -0.10 0.00 0.00 174.94 173.82 2otr s GLU 5 N 1.32 1.97 0.14 2.79 0.41 0.87 -4.93 118.70 121.26 2otr s GLU 5 Ca -0.03 -1.73 0.08 0.00 -0.41 0.00 0.00 54.97 52.88 2otr s GLU 5 Cb -0.14 -1.89 -0.04 0.00 -1.78 0.00 0.00 34.13 30.28 2otr s GLU 5 CO -0.03 0.22 -0.18 0.95 -0.49 0.00 0.00 175.26 175.73 2otr s THR 6 N -2.50 1.67 0.54 3.63 -4.23 -1.26 -1.42 115.64 112.07 2otr s THR 6 Ca 0.33 -1.77 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 2otr s THR 6 Cb -0.02 -1.69 0.06 0.00 1.34 0.00 0.00 72.50 72.20 2otr s THR 6 CO 0.18 -0.27 0.65 -0.55 -0.54 0.00 0.00 174.62 174.08 2otr s SER 7 N -2.41 5.04 0.03 3.99 0.15 -1.26 -4.89 113.70 114.35 2otr s SER 7 Ca 0.11 -0.90 -0.19 0.00 0.70 0.00 0.00 55.95 55.68 2otr s SER 7 Cb -0.07 0.17 -0.19 0.00 -1.71 0.00 0.00 66.02 64.22 2otr s SER 7 CO 0.05 -1.18 1.19 0.11 1.20 0.00 0.00 173.24 174.62 2otr h LYS 8 N 0.42 0.48 0.00 5.44 1.57 -1.95 -3.27 116.57 119.26 2otr h LYS 8 Ca -0.33 -0.42 -0.16 0.00 -1.87 0.00 0.00 60.65 57.87 2otr h LYS 8 Cb 1.29 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 2otr h LYS 8 CO 0.46 1.05 -0.78 0.87 -0.57 0.00 0.00 179.45 180.49 2otr h LYS 9 N 0.04 0.00 -0.67 3.15 1.79 -1.97 -3.26 116.57 115.66 2otr h LYS 9 Ca -0.04 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.54 2otr h LYS 9 Cb 1.18 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.78 2otr h LYS 9 CO 0.11 0.78 0.45 0.35 -1.08 0.00 0.00 179.45 180.06 2otr h PHE 10 N 0.00 0.51 -0.08 -1.35 3.57 -1.62 0.50 116.94 118.47 2otr h PHE 10 Ca -0.01 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2otr h PHE 10 Cb 1.56 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 2otr h PHE 10 CO 0.00 0.23 -0.37 -0.44 -2.23 0.00 0.00 178.31 175.50 2otr h ASP 11 N 0.47 0.18 1.67 0.41 3.32 -1.61 -2.48 116.42 118.38 2otr h ASP 11 Ca 0.32 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 2otr h ASP 11 Cb 0.60 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2otr h ASP 11 CO -0.10 0.54 -0.19 0.11 -1.72 0.00 0.00 179.24 177.88 2otr h LYS 12 N 0.15 0.00 0.00 3.56 6.56 -1.08 -2.92 116.57 122.84 2otr h LYS 12 Ca 0.02 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.44 2otr h LYS 12 Cb 0.73 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.37 2otr h LYS 12 CO 0.06 0.19 -0.89 -0.44 -2.06 0.00 0.00 179.45 176.30 2otr h ASP 13 N 0.00 0.00 0.40 0.86 3.32 -0.97 -3.32 116.42 116.71 2otr h ASP 13 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 2otr h ASP 13 Cb 1.08 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.65 2otr h ASP 13 CO 0.02 0.73 -1.44 -0.07 -1.72 0.00 0.00 179.24 176.77 2otr h LEU 14 N 0.00 0.63 -2.07 1.55 3.38 -1.46 -3.28 115.31 114.07 2otr h LEU 14 Ca -0.05 -0.72 0.06 0.00 0.09 0.00 0.00 57.88 57.27 2otr h LEU 14 Cb 1.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2otr h LEU 14 CO 0.09 1.57 0.18 0.07 0.09 0.00 0.00 178.44 180.43 2otr h LYS 15 N 0.11 0.00 0.00 1.13 2.10 -1.62 0.48 116.57 118.76 2otr h LYS 15 Ca -0.22 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.25 2otr h LYS 15 Cb 2.08 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.39 2otr h LYS 15 CO 0.23 0.00 -0.82 0.82 -2.00 0.00 0.00 179.45 177.68 2otr h ILE 16 N 0.00 1.46 0.15 0.07 1.08 -1.66 -3.18 117.51 115.43 2otr h ILE 16 Ca 0.11 -2.92 -0.35 0.00 -0.39 0.00 0.00 64.86 61.31 2otr h ILE 16 Cb 0.46 2.63 -0.00 0.00 -3.07 0.00 0.00 36.82 36.83 2otr h ILE 16 CO -0.00 0.80 -1.80 -0.07 -0.69 0.00 0.00 178.15 176.39 2otr h LEU 17 N 0.00 0.50 -1.78 1.44 3.38 -1.10 -3.26 115.31 114.49 2otr h LEU 17 Ca -0.01 -0.93 0.07 0.00 0.09 0.00 0.00 57.88 57.10 2otr h LEU 17 Cb 1.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2otr h LEU 17 CO 0.11 1.79 0.28 1.62 0.09 0.00 0.00 178.44 182.33 2otr h VAL 18 N 0.02 0.93 0.01 1.22 3.04 -0.25 -0.64 116.25 120.58 2otr h VAL 18 Ca -0.37 -0.09 -0.20 0.00 -1.01 0.00 0.00 66.70 65.03 2otr h VAL 18 Cb 2.02 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.92 2otr h VAL 18 CO 0.12 0.05 -0.92 0.50 -1.01 0.00 0.00 177.57 176.31 2otr h LYS 19 N 0.26 0.08 -0.98 4.17 3.64 -1.68 -3.21 116.57 118.85 2otr h LYS 19 Ca 0.18 -0.10 -0.50 0.00 -1.27 0.00 0.00 60.65 58.96 2otr h LYS 19 Cb 0.38 0.03 -0.30 0.00 -0.41 0.00 0.00 32.23 31.94 2otr h LYS 19 CO -0.04 0.94 0.63 0.09 -2.27 0.00 0.00 179.45 178.80 2otr n ASN 20 N -3.53 3.74 -1.26 4.20 3.02 -0.34 -4.95 115.26 116.13 2otr n ASN 20 Ca -0.02 -3.61 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 2otr n ASN 20 Cb 0.85 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2otr n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2otr n GLY 21 N -1.13 -2.43 3.06 7.41 0.00 -0.65 -5.00 105.19 106.45 2otr n GLY 21 Ca 0.59 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 46.22 2otr n GLY 21 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2otr s PHE 22 N 0.00 -0.29 0.81 1.61 5.36 -1.12 -4.73 117.98 119.62 2otr s PHE 22 Ca 0.00 0.14 -0.11 0.00 -0.96 0.00 0.00 56.93 56.01 2otr s PHE 22 Cb 0.00 0.05 0.08 0.00 -0.34 0.00 0.00 43.02 42.81 2otr s PHE 22 CO 0.00 -0.17 1.10 0.34 -1.46 0.00 0.00 175.22 175.02 2otr s ASP 23 N 2.76 4.16 -0.11 6.13 2.15 -1.26 -4.11 116.67 126.38 2otr s ASP 23 Ca 0.27 1.80 0.13 0.00 0.43 0.00 0.00 52.55 55.18 2otr s ASP 23 Cb 0.00 -2.47 -0.24 0.00 -0.30 0.00 0.00 42.92 39.92 2otr s ASP 23 CO -0.21 -2.25 0.39 0.18 -0.17 0.00 0.00 175.17 173.11 2otr n LEU 24 N -3.66 0.74 -0.06 -1.34 4.32 -1.26 -4.19 117.00 111.56 2otr n LEU 24 Ca 0.09 0.23 0.04 0.00 -0.02 0.00 0.00 56.01 56.34 2otr n LEU 24 Cb 0.53 0.17 0.39 0.00 -1.62 0.00 0.00 43.42 42.89 2otr n LEU 24 CO 0.53 0.48 1.18 0.50 -1.22 0.00 0.00 177.39 178.87 2otr h LYS 25 N 0.00 0.64 -0.53 3.23 1.63 -1.99 -1.46 116.57 118.10 2otr h LYS 25 Ca -0.40 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.35 2otr h LYS 25 Cb 2.10 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 33.56 2otr h LYS 25 CO 0.05 0.42 0.29 1.37 -3.45 0.00 0.00 179.45 178.13 2otr h LEU 26 N 0.66 0.65 -0.30 5.20 8.10 -1.98 0.63 115.31 128.26 2otr h LEU 26 Ca 0.19 -0.05 -0.17 0.00 0.11 0.00 0.00 57.88 57.96 2otr h LEU 26 Cb -0.03 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.00 2otr h LEU 26 CO -0.04 0.53 -0.81 0.25 -4.11 0.00 0.00 178.44 174.26 2otr h LEU 27 N 0.74 0.00 -0.06 0.17 5.85 -1.48 -1.37 115.31 119.16 2otr h LEU 27 Ca 0.19 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 2otr h LEU 27 Cb 0.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2otr h LEU 27 CO -0.03 0.81 -0.54 1.88 -0.34 0.00 0.00 178.44 180.22 2otr h TYR 28 N 0.00 0.00 0.03 1.25 0.05 -0.76 -3.20 116.97 114.34 2otr h TYR 28 Ca -0.01 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.47 2otr h TYR 28 Cb 1.48 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.18 2otr h TYR 28 CO 0.00 0.54 -1.71 0.87 -1.05 0.00 0.00 178.16 176.81 2otr h LYS 29 N 0.00 0.06 0.00 4.88 6.56 -0.89 -3.33 116.57 123.85 2otr h LYS 29 Ca -0.01 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 2otr h LYS 29 Cb 1.39 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.09 2otr h LYS 29 CO 0.07 0.68 0.00 1.55 -2.06 0.00 0.00 179.45 179.69 2otr n VAL 30 N -3.16 0.80 -0.21 0.50 3.14 -0.52 -3.38 118.33 115.50 2otr n VAL 30 Ca -0.19 0.16 0.01 0.00 -2.96 0.00 0.00 64.34 61.37 2otr n VAL 30 Cb 1.05 -1.07 0.12 0.00 -1.06 0.00 0.00 33.84 32.88 2otr n VAL 30 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 2otr h VAL 31 N 0.00 0.64 0.00 1.55 -1.51 -1.66 0.22 116.25 115.49 2otr h VAL 31 Ca 0.00 -0.10 -0.02 0.00 -1.23 0.00 0.00 66.70 65.35 2otr h VAL 31 Cb 0.41 0.32 -0.00 0.00 -2.13 0.00 0.00 31.29 29.89 2otr h VAL 31 CO 0.00 0.05 -0.08 1.23 -1.23 0.00 0.00 177.57 177.54 2otr h GLY 32 N 0.29 0.00 1.13 5.19 0.00 -1.82 -1.63 103.07 106.23 2otr h GLY 32 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2otr h GLY 32 CO -0.40 0.00 -0.85 3.43 0.00 0.00 0.00 176.54 178.71 2otr h ASN 33 N 0.00 0.00 -0.10 0.19 4.21 -0.91 -3.32 115.58 115.65 2otr h ASN 33 Ca -0.00 -0.02 -0.08 0.00 1.21 0.00 0.00 56.30 57.41 2otr h ASN 33 Cb 0.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 2otr h ASN 33 CO 0.01 0.01 -0.26 -0.07 -1.29 0.00 0.00 177.43 175.83 2otr h LEU 34 N 0.00 0.40 -1.57 1.61 3.38 0.26 0.96 115.31 120.35 2otr h LEU 34 Ca 0.00 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 2otr h LEU 34 Cb 0.98 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2otr h LEU 34 CO 0.00 0.92 -0.16 0.00 0.09 0.00 0.00 178.44 179.29 2otr h ALA 35 N 0.48 1.64 0.06 1.53 0.00 -1.65 -2.98 119.26 118.33 2otr h ALA 35 Ca -0.01 -0.18 -0.34 0.00 0.00 0.00 0.00 54.91 54.38 2otr h ALA 35 Cb 0.88 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2otr h ALA 35 CO 0.06 0.26 -2.00 0.25 0.00 0.00 0.00 179.25 177.83 2otr n THR 36 N -4.31 1.65 -3.22 0.00 -2.24 -1.20 -5.03 114.28 99.93 2otr n THR 36 Ca -0.02 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 60.92 2otr n THR 36 Cb 0.25 -1.33 0.06 0.00 -2.10 0.00 0.00 70.33 67.20 2otr n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2otr n GLU 37 N -3.23 -2.10 -0.06 -0.78 1.02 0.33 -4.98 120.64 110.84 2otr n GLU 37 Ca -0.29 0.97 -0.05 0.00 -0.02 0.00 0.00 57.16 57.78 2otr n GLU 37 Cb 1.05 -5.83 -0.04 0.00 -0.02 0.00 0.00 31.44 26.60 2otr n GLU 37 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2otr h GLN 38 N -0.84 -0.00 0.00 3.49 4.20 -1.91 -3.43 115.11 116.62 2otr h GLN 38 Ca -0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2otr h GLN 38 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2otr h GLN 38 CO 0.42 0.33 0.00 -0.35 -0.67 0.00 0.00 178.83 178.56 2otr n PRO 39 N -4.73 0.00 -3.05 1.46 -0.04 -1.26 -4.99 135.00 122.39 2otr n PRO 39 Ca -0.03 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2otr n PRO 39 Cb 0.16 -0.53 -0.00 0.00 -0.04 0.00 0.00 33.50 33.09 2otr n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2otr n LEU 40 N -0.18 -4.71 -4.53 1.53 7.99 -1.26 -4.90 117.00 110.93 2otr n LEU 40 Ca 0.00 0.81 -0.30 0.00 -0.01 0.00 0.00 56.01 56.52 2otr n LEU 40 Cb 0.00 -1.98 0.22 0.00 -0.11 0.00 0.00 43.42 41.55 2otr n LEU 40 CO 0.00 -2.18 0.49 0.00 -1.51 0.00 0.00 177.39 174.20 2otr n ALA 41 N 1.47 -2.25 0.03 -1.18 0.00 -0.99 -4.59 120.51 113.01 2otr n ALA 41 Ca -0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 53.44 52.44 2otr n ALA 41 Cb 0.32 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 2otr n ALA 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2otr h PRO 42 N -2.36 -0.10 -0.05 0.00 0.13 -1.98 0.22 132.00 127.86 2otr h PRO 42 Ca -0.54 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 2otr h PRO 42 Cb 1.31 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 2otr h PRO 42 CO 0.45 -0.07 -0.17 1.57 -0.23 0.00 0.00 178.00 179.55 2otr h LYS 43 N -0.10 0.08 -2.03 0.86 -0.00 -2.01 -2.99 116.57 110.36 2otr h LYS 43 Ca -0.01 -0.02 -0.70 0.00 -0.00 0.00 0.00 60.65 59.92 2otr h LYS 43 Cb 0.09 -0.01 -0.33 0.00 -0.00 0.00 0.00 32.23 31.98 2otr h LYS 43 CO -0.01 0.25 0.31 0.66 -0.00 0.00 0.00 179.45 180.66 2otr n TYR 44 N -4.30 3.25 -2.02 0.07 4.01 -1.11 -5.00 117.16 112.07 2otr n TYR 44 Ca -0.02 -2.92 0.00 0.00 -0.16 0.00 0.00 57.90 54.80 2otr n TYR 44 Cb 0.26 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 2otr n TYR 44 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2otr n LYS 45 N -0.32 2.37 -4.27 -0.72 4.81 0.76 -2.34 118.16 118.45 2otr n LYS 45 Ca 0.44 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.62 2otr n LYS 45 Cb 0.36 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.33 2otr n LYS 45 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2otr s ASP 46 N -1.00 4.44 -0.19 3.14 2.15 -1.26 -3.77 116.67 120.17 2otr s ASP 46 Ca 0.00 -0.53 -0.28 0.00 0.43 0.00 0.00 52.55 52.17 2otr s ASP 46 Cb 0.00 -0.82 0.11 0.00 -0.30 0.00 0.00 42.92 41.91 2otr s ASP 46 CO 0.00 0.09 0.91 -1.38 -0.17 0.00 0.00 175.17 174.61 2otr s HIS 47 N -1.79 -0.52 0.71 -5.34 -3.43 -1.15 -5.05 115.29 98.72 2otr s HIS 47 Ca 0.26 1.08 -0.11 0.00 -0.80 0.00 0.00 55.06 55.49 2otr s HIS 47 Cb -0.09 0.39 0.02 0.00 -1.43 0.00 0.00 32.58 31.47 2otr s HIS 47 CO 0.17 -0.36 1.07 -1.25 -2.00 0.00 0.00 174.74 172.37 2otr s PRO 48 N -0.49 2.73 -0.15 -0.38 0.04 -1.26 -3.41 135.00 132.07 2otr s PRO 48 Ca -0.02 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 2otr s PRO 48 Cb -0.02 -1.96 -0.24 0.00 0.04 0.00 0.00 34.50 32.32 2otr s PRO 48 CO 0.01 -1.27 0.37 -0.07 0.04 0.00 0.00 177.00 176.07 2otr h LEU 49 N -0.76 0.24 -0.87 -3.56 3.38 -1.81 -3.47 115.31 108.45 2otr h LEU 49 Ca -0.44 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 56.77 2otr h LEU 49 Cb 1.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2otr h LEU 49 CO 0.55 1.64 -0.86 0.29 0.09 0.00 0.00 178.44 180.15 2otr n LYS 50 N -3.98 -4.13 0.00 1.13 5.02 -1.26 -5.00 118.16 109.94 2otr n LYS 50 Ca -0.30 3.11 0.00 0.00 -2.02 0.00 0.00 58.31 59.10 2otr n LYS 50 Cb 0.86 -3.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.27 2otr n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2otr n GLY 51 N -1.32 1.42 0.00 0.72 0.00 -1.26 -4.63 105.19 100.12 2otr n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2otr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otr n GLY 52 N -0.19 2.95 2.51 -0.02 0.00 -1.26 -4.91 105.19 104.26 2otr n GLY 52 Ca 0.00 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 2otr n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2otr n LEU 53 N 0.00 6.93 -0.04 0.99 4.32 -1.26 -4.64 117.00 123.31 2otr n LEU 53 Ca 0.00 -4.34 0.03 0.00 -0.02 0.00 0.00 56.01 51.68 2otr n LEU 53 Cb 0.00 -1.26 0.39 0.00 -1.62 0.00 0.00 43.42 40.93 2otr n LEU 53 CO 0.00 1.83 1.17 0.11 -1.22 0.00 0.00 177.39 179.28 2otr h LYS 54 N 3.44 0.62 -0.64 3.23 1.57 -1.91 -2.08 116.57 120.80 2otr h LYS 54 Ca 0.48 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.13 2otr h LYS 54 Cb 0.58 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2otr h LYS 54 CO 1.06 0.42 0.04 0.22 -0.57 0.00 0.00 179.45 180.61 2otr h ASP 55 N 0.64 1.07 -4.25 0.86 1.82 -1.93 -3.44 116.42 111.18 2otr h ASP 55 Ca 0.17 -0.29 -0.52 0.00 -0.39 0.00 0.00 57.03 56.00 2otr h ASP 55 Cb -0.07 -0.29 0.16 0.00 0.68 0.00 0.00 39.33 39.81 2otr h ASP 55 CO -0.04 1.09 0.31 -0.36 -1.61 0.00 0.00 179.24 178.64 2otr s PHE 56 N -5.10 2.13 -0.28 0.28 0.08 -0.78 -3.61 117.98 110.70 2otr s PHE 56 Ca -0.12 1.65 -0.23 0.00 0.12 0.00 0.00 56.93 58.35 2otr s PHE 56 Cb 0.14 -3.27 0.12 0.00 -0.57 0.00 0.00 43.02 39.44 2otr s PHE 56 CO 0.86 -2.32 0.96 1.03 -0.10 0.00 0.00 175.22 175.65 2otr s ARG 57 N -4.47 0.53 -0.15 0.44 0.52 -0.42 -4.31 118.95 111.09 2otr s ARG 57 Ca 0.67 0.70 -0.03 0.00 -0.52 0.00 0.00 55.73 56.55 2otr s ARG 57 Cb -0.22 0.22 -0.03 0.00 0.52 0.00 0.00 34.95 35.44 2otr s ARG 57 CO 0.52 -0.07 -0.05 -2.00 0.02 0.00 0.00 175.30 173.72 2otr s GLU 58 N 0.56 3.58 0.29 3.54 2.12 -1.22 -1.98 118.70 125.59 2otr s GLU 58 Ca -0.00 -0.54 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 2otr s GLU 58 Cb -0.05 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.46 2otr s GLU 58 CO -0.08 0.27 0.34 0.00 -0.54 0.00 0.00 175.26 175.25 2otr s HIS 60 N -3.56 2.06 0.40 0.00 0.09 -1.25 -0.68 115.29 112.35 2otr s HIS 60 Ca 0.34 -2.31 0.07 0.00 -0.00 0.00 0.00 55.06 53.15 2otr s HIS 60 Cb 0.02 -1.94 0.83 0.00 -0.00 0.00 0.00 32.58 31.49 2otr s HIS 60 CO 0.18 -0.82 2.04 1.37 -0.00 0.00 0.00 174.74 177.52 2otr h LEU 61 N 7.12 0.52 -9.86 0.89 8.10 -1.88 -3.43 115.31 116.77 2otr h LEU 61 Ca -0.05 -0.01 -0.53 0.00 0.11 0.00 0.00 57.88 57.40 2otr h LEU 61 Cb 0.95 -0.13 -0.07 0.00 -0.44 0.00 0.00 40.66 40.98 2otr h LEU 61 CO 0.49 0.37 -0.52 -0.54 -4.11 0.00 0.00 178.44 174.13 2otr s LYS 62 N -5.54 2.46 0.17 0.17 -0.14 -1.26 -4.89 119.74 110.71 2otr s LYS 62 Ca -0.09 -1.48 0.16 0.00 -1.36 0.00 0.00 55.97 53.20 2otr s LYS 62 Cb 0.18 -2.25 0.74 0.00 -1.68 0.00 0.00 37.83 34.81 2otr s LYS 62 CO 0.74 0.11 1.48 -0.35 -0.76 0.00 0.00 175.35 176.57 2otr n PRO 63 N -1.20 0.09 -2.97 -1.68 -0.04 -1.26 -3.57 135.00 124.37 2otr n PRO 63 Ca -0.03 0.47 -0.15 0.00 -0.04 0.00 0.00 63.50 63.76 2otr n PRO 63 Cb 0.61 -1.74 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 2otr n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2otr n ASP 64 N -1.93 -1.07 -3.47 3.54 -0.08 -1.26 -4.95 116.55 107.33 2otr n ASP 64 Ca 0.01 -3.16 -0.10 0.00 -1.51 0.00 0.00 54.79 50.02 2otr n ASP 64 Cb 0.10 0.62 -0.02 0.00 2.34 0.00 0.00 41.12 44.16 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2otr s LEU 65 N -1.59 -0.46 0.41 -2.67 1.02 -1.23 -4.58 118.68 109.56 2otr s LEU 65 Ca 0.32 0.04 0.07 0.00 0.02 0.00 0.00 54.13 54.59 2otr s LEU 65 Cb 0.26 2.29 -0.06 0.00 0.02 0.00 0.00 46.19 48.69 2otr s LEU 65 CO -0.13 -0.76 0.10 -0.76 0.02 0.00 0.00 176.35 174.82 2otr s LEU 66 N -2.50 3.00 -0.33 1.79 1.02 -0.63 -4.32 118.68 116.72 2otr s LEU 66 Ca 0.02 -1.21 -0.04 0.00 0.02 0.00 0.00 54.13 52.93 2otr s LEU 66 Cb -0.01 -1.19 0.19 0.00 0.02 0.00 0.00 46.19 45.20 2otr s LEU 66 CO -0.10 -0.49 0.90 -0.22 0.02 0.00 0.00 176.35 176.46 2otr s LEU 67 N -3.81 -0.79 -1.09 1.79 2.96 0.15 -3.85 118.68 114.03 2otr s LEU 67 Ca 0.38 -0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2otr s LEU 67 Cb 0.06 1.25 0.30 0.00 0.50 0.00 0.00 46.19 48.30 2otr s LEU 67 CO 0.20 -0.12 1.52 0.52 -1.32 0.00 0.00 176.35 177.16 2otr n VAL 68 N 4.57 5.34 -2.44 1.68 0.31 -1.25 -1.22 118.33 125.32 2otr n VAL 68 Ca 0.08 -5.88 -0.24 0.00 -0.01 0.00 0.00 64.34 58.29 2otr n VAL 68 Cb 0.59 -2.07 0.08 0.00 -0.91 0.00 0.00 33.84 31.53 2otr n VAL 68 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 2otr s TYR 69 N -2.72 2.40 -0.03 3.52 -0.85 -0.84 -4.18 117.35 114.66 2otr s TYR 69 Ca 0.32 0.07 -0.03 0.00 -0.52 0.00 0.00 57.07 56.90 2otr s TYR 69 Cb 0.06 -3.06 0.01 0.00 0.38 0.00 0.00 41.96 39.35 2otr s TYR 69 CO 0.10 -1.42 0.09 -1.14 -1.52 0.00 0.00 175.55 171.67 2otr s GLN 70 N -5.10 0.15 0.30 -3.49 0.74 -0.91 -1.30 119.66 110.04 2otr s GLN 70 Ca 0.62 0.07 -0.18 0.00 0.05 0.00 0.00 55.36 55.92 2otr s GLN 70 Cb -0.08 0.07 -0.09 0.00 1.10 0.00 0.00 33.01 34.00 2otr s GLN 70 CO 0.43 -0.02 0.77 0.42 -0.55 0.00 0.00 175.29 176.34 2otr s ILE 71 N -0.10 4.58 -0.54 -2.34 -1.09 -1.24 -2.78 121.20 117.69 2otr s ILE 71 Ca -0.02 1.17 0.04 0.00 -2.23 0.00 0.00 60.65 59.61 2otr s ILE 71 Cb -0.02 -3.71 0.14 0.00 -1.58 0.00 0.00 42.46 37.29 2otr s ILE 71 CO 0.00 -0.06 0.30 -1.59 -1.23 0.00 0.00 174.94 172.37 2otr s LYS 72 N -2.63 1.92 0.62 2.79 -2.85 -0.79 -4.92 119.74 113.87 2otr s LYS 72 Ca 0.51 -2.64 0.29 0.00 -1.00 0.00 0.00 55.97 53.13 2otr s LYS 72 Cb -0.13 -3.11 1.53 0.00 -2.06 0.00 0.00 37.83 34.06 2otr s LYS 72 CO 0.18 -1.16 1.92 0.87 0.10 0.00 0.00 175.35 177.26 2otr h LYS 73 N 6.30 0.00 -1.20 1.78 1.79 -1.95 0.37 116.57 123.66 2otr h LYS 73 Ca -0.01 0.00 0.34 0.00 -2.18 0.00 0.00 60.65 58.80 2otr h LYS 73 Cb 0.87 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.44 2otr h LYS 73 CO 0.65 0.00 0.82 0.37 -1.08 0.00 0.00 179.45 180.21 2otr h GLN 74 N 0.00 0.15 0.00 3.15 5.75 -1.97 -2.95 115.11 119.24 2otr h GLN 74 Ca 0.13 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 2otr h GLN 74 Cb 0.95 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 2otr h GLN 74 CO -0.00 0.10 -0.29 -0.85 -2.65 0.00 0.00 178.83 175.13 2otr n GLU 75 N -4.40 0.00 -3.59 1.69 0.28 -0.59 -5.05 120.64 108.98 2otr n GLU 75 Ca 0.28 -0.59 -0.20 0.00 -0.16 0.00 0.00 57.16 56.49 2otr n GLU 75 Cb 1.18 -0.25 0.01 0.00 1.43 0.00 0.00 31.44 33.81 2otr n GLU 75 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2otr n ASN 76 N 0.01 -5.70 -4.11 -1.84 4.13 0.02 -4.85 115.26 102.93 2otr n ASN 76 Ca -0.00 -0.75 -0.15 0.00 1.68 0.00 0.00 54.58 55.36 2otr n ASN 76 Cb 0.62 -2.94 -0.11 0.00 -1.54 0.00 0.00 39.78 35.81 2otr n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2otr s THR 77 N -3.10 0.77 -0.51 3.41 2.01 -1.14 -3.08 115.64 114.01 2otr s THR 77 Ca 0.11 -1.23 -0.14 0.00 0.31 0.00 0.00 61.69 60.74 2otr s THR 77 Cb -0.04 -0.86 0.12 0.00 0.01 0.00 0.00 72.50 71.72 2otr s THR 77 CO 0.86 -0.36 0.44 -0.22 -0.69 0.00 0.00 174.62 174.64 2otr s LEU 78 N -1.76 5.96 -0.39 4.42 0.20 0.14 -1.89 118.68 125.36 2otr s LEU 78 Ca -0.05 -1.78 -0.19 0.00 0.69 0.00 0.00 54.13 52.80 2otr s LEU 78 Cb -0.09 -2.14 0.01 0.00 -0.43 0.00 0.00 46.19 43.54 2otr s LEU 78 CO 0.01 -0.78 0.53 0.12 -0.29 0.00 0.00 176.35 175.94 2otr s PHE 79 N 1.52 3.15 1.19 5.38 5.36 -1.12 -0.09 117.98 133.37 2otr s PHE 79 Ca 0.04 0.01 -0.18 0.00 -0.96 0.00 0.00 56.93 55.85 2otr s PHE 79 Cb -0.28 -3.03 0.28 0.00 -0.34 0.00 0.00 43.02 39.65 2otr s PHE 79 CO 0.02 -0.66 1.06 -0.51 -1.46 0.00 0.00 175.22 173.68 2otr s LEU 80 N 2.46 0.58 0.00 6.12 1.43 -0.50 -2.14 118.68 126.63 2otr s LEU 80 Ca 0.18 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 2otr s LEU 80 Cb -0.15 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.38 2otr s LEU 80 CO 0.15 -4.14 0.00 0.52 0.23 0.00 0.00 176.35 173.11 2otr n VAL 81 N -4.81 0.00 -3.64 -1.59 0.31 -1.26 -4.23 118.33 103.11 2otr n VAL 81 Ca 0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.22 2otr n VAL 81 Cb 0.58 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.50 2otr n VAL 81 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2otr s ARG 82 N 0.00 3.28 -0.30 5.55 0.52 -1.26 -3.59 118.95 123.15 2otr s ARG 82 Ca 0.00 -0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 54.24 2otr s ARG 82 Cb 0.00 -2.82 0.19 0.00 0.52 0.00 0.00 34.95 32.85 2otr s ARG 82 CO 0.00 0.20 1.20 -1.17 0.02 0.00 0.00 175.30 175.55 2otr s LEU 83 N -4.13 -0.18 0.00 2.53 0.20 -1.26 -3.74 118.68 112.11 2otr s LEU 83 Ca 0.40 0.27 0.00 0.00 0.69 0.00 0.00 54.13 55.49 2otr s LEU 83 Cb -0.09 1.24 0.00 0.00 -0.43 0.00 0.00 46.19 46.91 2otr s LEU 83 CO 0.31 -0.04 0.00 0.61 -0.29 0.00 0.00 176.35 176.94 2otr n GLY 84 N 3.59 -0.54 3.40 7.98 0.00 -1.25 -4.60 105.19 113.77 2otr n GLY 84 Ca -0.15 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 2otr n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2otr s SER 85 N -4.00 3.47 0.36 1.61 0.01 -1.26 -1.60 113.70 112.29 2otr s SER 85 Ca 0.00 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.77 2otr s SER 85 Cb 0.00 -0.42 0.69 0.00 0.21 0.00 0.00 66.02 66.50 2otr s SER 85 CO 0.00 0.25 1.95 1.12 0.41 0.00 0.00 173.24 176.97 2otr h HIS 86 N 4.54 0.56 -0.29 2.43 2.07 -1.93 -0.85 115.15 121.69 2otr h HIS 86 Ca -0.48 -0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 56.96 2otr h HIS 86 Cb 1.15 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 30.94 2otr h HIS 86 CO 0.52 0.46 -0.09 0.77 -3.07 0.00 0.00 177.93 176.53 2otr h SER 87 N 0.56 0.44 0.01 3.10 0.02 -1.96 -1.05 113.55 114.67 2otr h SER 87 Ca 0.14 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2otr h SER 87 Cb 0.15 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2otr h SER 87 CO -0.01 0.57 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.17 2otr h GLU 88 N 0.44 -0.02 0.00 3.45 4.22 -1.79 -3.41 114.58 117.47 2otr h GLU 88 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.53 2otr h GLU 88 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2otr h GLU 88 CO 0.02 -0.01 0.00 1.28 -2.18 0.00 0.00 179.01 178.12 2otr n LEU 89 N -3.68 0.08 0.00 1.64 4.32 -0.39 -5.05 117.00 113.91 2otr n LEU 89 Ca -0.00 0.74 0.03 0.00 -0.02 0.00 0.00 56.01 56.75 2otr n LEU 89 Cb 0.01 -0.26 0.16 0.00 -1.62 0.00 0.00 43.42 41.71 2otr n LEU 89 CO 0.00 -0.26 0.40 0.49 -1.22 0.00 0.00 177.39 176.80