#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 2.48 0.00 -0.89 1.02 -1.26 -4.93 118.68 115.09 2otr s LEU 2 Ca 0.00 -0.93 -0.07 0.00 0.02 0.00 0.00 54.13 53.14 2otr s LEU 2 Cb 0.00 -0.35 0.11 0.00 0.02 0.00 0.00 46.19 45.97 2otr s LEU 2 CO 0.00 -0.30 0.37 0.41 0.02 0.00 0.00 176.35 176.86 2otr n THR 3 N 0.11 0.00 -4.54 5.49 -1.04 -1.17 -4.57 114.28 108.56 2otr n THR 3 Ca -0.13 -0.15 -0.22 0.00 -2.04 0.00 0.00 64.05 61.52 2otr n THR 3 Cb 0.59 -0.99 -0.15 0.00 -1.82 0.00 0.00 70.33 67.96 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 -1.66 1.00 0.07 12.58 1.09 -1.26 -0.76 121.20 132.26 2otr s ILE 4 Ca 0.25 -0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 59.29 2otr s ILE 4 Cb -0.03 -0.86 -0.04 0.00 -1.06 0.00 0.00 42.46 40.47 2otr s ILE 4 CO 0.19 0.30 -0.02 -1.61 -0.10 0.00 0.00 174.94 173.70 2otr s GLU 5 N 0.03 0.69 0.08 2.79 0.41 -0.97 -4.93 118.70 116.80 2otr s GLU 5 Ca -0.01 -1.27 0.02 0.00 -0.41 0.00 0.00 54.97 53.30 2otr s GLU 5 Cb -0.08 0.18 -0.03 0.00 -1.78 0.00 0.00 34.13 32.41 2otr s GLU 5 CO 0.01 -0.13 -0.08 0.95 -0.49 0.00 0.00 175.26 175.52 2otr s THR 6 N -3.92 0.68 0.00 3.63 -4.23 -1.26 -2.14 115.64 108.40 2otr s THR 6 Ca 0.11 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2otr s THR 6 Cb 0.08 -1.23 0.00 0.00 1.34 0.00 0.00 72.50 72.69 2otr s THR 6 CO -0.07 -0.63 0.00 -1.54 -0.54 0.00 0.00 174.62 171.83 2otr n SER 7 N 0.63 1.09 0.08 3.99 3.41 -1.26 -4.96 113.62 116.59 2otr n SER 7 Ca -0.17 -0.87 -0.22 0.00 -0.26 0.00 0.00 58.87 57.35 2otr n SER 7 Cb 0.58 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 2otr n SER 7 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2otr h LYS 8 N 0.00 0.39 -0.21 4.33 1.57 -1.97 -3.12 116.57 117.57 2otr h LYS 8 Ca 0.00 -0.67 -0.18 0.00 -1.87 0.00 0.00 60.65 57.93 2otr h LYS 8 Cb 0.00 0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2otr h LYS 8 CO 0.00 1.32 -0.58 0.87 -0.57 0.00 0.00 179.45 180.48 2otr h LYS 9 N -0.14 0.76 -0.45 3.15 1.57 -1.97 -3.12 116.57 116.36 2otr h LYS 9 Ca -0.22 -0.54 0.01 0.00 -1.87 0.00 0.00 60.65 58.03 2otr h LYS 9 Cb 1.88 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 34.26 2otr h LYS 9 CO 0.19 1.16 0.30 0.35 -0.57 0.00 0.00 179.45 180.88 2otr h PHE 10 N 0.49 0.56 -0.07 -1.35 3.57 -1.69 -1.05 116.94 117.39 2otr h PHE 10 Ca -0.01 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2otr h PHE 10 Cb 1.20 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2otr h PHE 10 CO 0.09 0.35 -0.24 0.22 -2.23 0.00 0.00 178.31 176.49 2otr h ASP 11 N 0.60 0.12 0.51 0.41 1.82 -1.48 -1.97 116.42 116.42 2otr h ASP 11 Ca 0.17 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2otr h ASP 11 Cb -0.05 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2otr h ASP 11 CO -0.04 0.37 -0.30 0.29 -1.61 0.00 0.00 179.24 177.96 2otr n LYS 12 N -4.20 0.29 -0.01 0.28 5.02 -0.46 -3.30 118.16 115.78 2otr n LYS 12 Ca -0.01 -0.14 -0.07 0.00 -2.02 0.00 0.00 58.31 56.06 2otr n LYS 12 Cb 0.33 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.71 2otr n LYS 12 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2otr h ASP 13 N 0.34 0.00 0.48 4.39 5.19 -0.68 -3.35 116.42 122.80 2otr h ASP 13 Ca 0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 2otr h ASP 13 Cb 0.47 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 2otr h ASP 13 CO 0.00 0.95 -1.50 -0.07 -3.12 0.00 0.00 179.24 175.50 2otr h LEU 14 N 0.00 0.36 -2.01 1.55 3.38 -1.59 -3.24 115.31 113.76 2otr h LEU 14 Ca -0.24 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.27 2otr h LEU 14 Cb 1.93 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 2otr h LEU 14 CO 0.08 1.41 0.09 0.07 0.09 0.00 0.00 178.44 180.19 2otr h LYS 15 N 0.06 0.00 0.23 1.13 2.10 -1.71 0.25 116.57 118.63 2otr h LYS 15 Ca -0.23 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.09 2otr h LYS 15 Cb 2.00 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 33.37 2otr h LYS 15 CO 0.16 0.00 -1.44 0.82 -2.00 0.00 0.00 179.45 176.99 2otr h ILE 16 N 0.00 1.32 -0.20 0.07 1.08 -1.69 -3.07 117.51 115.01 2otr h ILE 16 Ca 0.06 -2.75 -0.18 0.00 -0.39 0.00 0.00 64.86 61.60 2otr h ILE 16 Cb 0.25 3.02 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 2otr h ILE 16 CO -0.00 0.82 -0.59 -0.07 -0.69 0.00 0.00 178.15 177.62 2otr h LEU 17 N 0.14 0.87 -1.61 1.44 4.07 -1.40 -2.70 115.31 116.12 2otr h LEU 17 Ca -0.24 -0.58 -0.04 0.00 0.08 0.00 0.00 57.88 57.10 2otr h LEU 17 Cb 2.13 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 43.61 2otr h LEU 17 CO 0.27 1.30 -0.18 1.62 -1.08 0.00 0.00 178.44 180.37 2otr h VAL 18 N 0.49 1.14 0.02 1.22 3.04 -0.65 0.43 116.25 121.94 2otr h VAL 18 Ca -0.02 -0.64 -0.22 0.00 -1.01 0.00 0.00 66.70 64.81 2otr h VAL 18 Cb 1.21 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 2otr h VAL 18 CO 0.13 0.19 -0.94 0.50 -1.01 0.00 0.00 177.57 176.43 2otr h LYS 19 N 0.02 0.27 0.00 4.17 3.64 -1.47 -3.31 116.57 119.88 2otr h LYS 19 Ca 0.00 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 2otr h LYS 19 Cb 0.33 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2otr h LYS 19 CO 0.02 1.03 -0.18 -0.97 -2.27 0.00 0.00 179.45 177.09 2otr h ASN 20 N 0.14 0.00 0.00 4.20 -0.00 -1.10 -3.47 115.58 115.36 2otr h ASN 20 Ca -0.06 -0.06 -0.15 0.00 -0.00 0.00 0.00 56.30 56.02 2otr h ASN 20 Cb 1.59 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 39.78 2otr h ASN 20 CO 0.15 0.62 -0.16 0.61 -0.00 0.00 0.00 177.43 178.65 2otr n GLY 21 N 1.72 -0.76 3.57 1.57 0.00 0.13 -5.10 105.19 106.31 2otr n GLY 21 Ca -0.03 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 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 0.20 0.50 -0.10 1.61 5.36 0.20 -4.85 117.98 120.91 2otr s PHE 22 Ca 0.23 -0.86 -0.16 0.00 -0.96 0.00 0.00 56.93 55.19 2otr s PHE 22 Cb 0.27 0.15 0.04 0.00 -0.34 0.00 0.00 43.02 43.14 2otr s PHE 22 CO -0.14 -1.04 0.40 0.34 -1.46 0.00 0.00 175.22 173.31 2otr s ASP 23 N -3.07 -0.36 0.45 6.13 -1.08 -1.26 -4.28 116.67 113.19 2otr s ASP 23 Ca 0.24 0.57 0.24 0.00 -0.52 0.00 0.00 52.55 53.08 2otr s ASP 23 Cb -0.01 0.64 0.95 0.00 -1.46 0.00 0.00 42.92 43.04 2otr s ASP 23 CO 0.11 -0.28 1.84 -0.07 0.52 0.00 0.00 175.17 177.29 2otr h LEU 24 N 4.76 0.00 0.11 -1.34 4.07 -1.97 -3.20 115.31 117.73 2otr h LEU 24 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 2otr h LEU 24 Cb 1.18 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2otr h LEU 24 CO 0.31 0.21 -0.10 0.50 -1.08 0.00 0.00 178.44 178.28 2otr h LYS 25 N 0.00 -0.22 -0.28 1.13 1.63 -2.00 -2.18 116.57 114.65 2otr h LYS 25 Ca -0.00 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.85 2otr h LYS 25 Cb 0.73 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2otr h LYS 25 CO 0.03 -0.14 0.19 1.37 -3.45 0.00 0.00 179.45 177.44 2otr h LEU 26 N -0.22 0.19 -1.57 5.20 8.10 -1.99 -0.63 115.31 124.39 2otr h LEU 26 Ca 0.00 -0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 2otr h LEU 26 Cb 0.21 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.38 2otr h LEU 26 CO -0.02 0.13 -0.10 0.25 -4.11 0.00 0.00 178.44 174.59 2otr h LEU 27 N 0.22 0.14 0.00 0.17 5.85 -1.47 0.48 115.31 120.71 2otr h LEU 27 Ca 0.12 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 2otr h LEU 27 Cb 0.20 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2otr h LEU 27 CO -0.02 0.26 -0.72 1.88 -0.34 0.00 0.00 178.44 179.50 2otr h TYR 28 N 0.15 0.00 0.00 1.25 0.05 -0.89 -3.12 116.97 114.41 2otr h TYR 28 Ca 0.03 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.56 2otr h TYR 28 Cb 0.28 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 2otr h TYR 28 CO 0.00 0.66 -1.48 0.87 -1.05 0.00 0.00 178.16 177.17 2otr h LYS 29 N 0.00 0.00 0.00 4.88 1.57 -0.98 -3.32 116.57 118.72 2otr h LYS 29 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2otr h LYS 29 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.83 2otr h LYS 29 CO 0.08 0.58 0.00 -0.24 -0.57 0.00 0.00 179.45 179.31 2otr h VAL 30 N 0.00 0.00 -0.92 0.50 3.04 -0.13 -3.28 116.25 115.46 2otr h VAL 30 Ca -0.20 -0.55 0.22 0.00 -1.01 0.00 0.00 66.70 65.15 2otr h VAL 30 Cb 1.90 1.49 -0.12 0.00 -2.01 0.00 0.00 31.29 32.55 2otr h VAL 30 CO 0.09 0.00 0.44 0.58 -1.01 0.00 0.00 177.57 177.67 2otr h VAL 31 N 0.00 0.51 -0.01 1.51 2.07 -1.64 0.57 116.25 119.25 2otr h VAL 31 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2otr h VAL 31 Cb 0.68 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2otr h VAL 31 CO 0.00 0.08 0.01 1.23 0.02 0.00 0.00 177.57 178.91 2otr h GLY 32 N 0.46 0.00 1.47 2.17 0.00 -1.82 -0.71 103.07 104.63 2otr h GLY 32 Ca 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.84 2otr h GLY 32 CO -0.50 0.00 -0.74 3.43 0.00 0.00 0.00 176.54 178.73 2otr h ASN 33 N 0.00 0.00 0.44 0.19 4.21 -0.13 -3.24 115.58 117.05 2otr h ASN 33 Ca 0.01 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.34 2otr h ASN 33 Cb 0.03 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 2otr h ASN 33 CO -0.00 0.24 -0.77 -0.07 -1.29 0.00 0.00 177.43 175.55 2otr h LEU 34 N 0.00 0.32 -0.13 1.61 3.38 -0.29 0.95 115.31 121.15 2otr h LEU 34 Ca -0.04 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 2otr h LEU 34 Cb 1.22 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.88 2otr h LEU 34 CO 0.03 0.97 -0.49 0.00 0.09 0.00 0.00 178.44 179.04 2otr h ALA 35 N 1.02 0.23 0.17 1.53 0.00 -1.55 -3.33 119.26 117.33 2otr h ALA 35 Ca -0.03 -0.49 -0.35 0.00 0.00 0.00 0.00 54.91 54.03 2otr h ALA 35 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2otr h ALA 35 CO 0.12 0.40 -1.77 1.79 0.00 0.00 0.00 179.25 179.79 2otr h THR 36 N 0.18 0.90 -5.28 0.00 1.35 -1.60 -3.43 112.91 105.02 2otr h THR 36 Ca -0.02 -2.52 -0.05 0.00 -0.55 0.00 0.00 66.41 63.27 2otr h THR 36 Cb 1.12 2.71 0.04 0.00 -1.73 0.00 0.00 68.15 70.29 2otr h THR 36 CO 0.10 0.86 -0.17 -0.62 -0.25 0.00 0.00 175.52 175.44 2otr n GLU 37 N -3.55 -1.45 -0.10 4.72 1.02 0.33 -5.00 120.64 116.62 2otr n GLU 37 Ca -0.25 1.33 -0.18 0.00 -0.02 0.00 0.00 57.16 58.04 2otr n GLU 37 Cb 1.07 -5.60 -0.08 0.00 -0.02 0.00 0.00 31.44 26.81 2otr n GLU 37 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2otr n GLN 38 N -2.03 0.54 0.00 3.49 6.02 -1.25 -4.89 117.38 119.26 2otr n GLN 38 Ca -0.01 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 2otr n GLN 38 Cb 0.52 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.13 2otr n GLN 38 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2otr n PRO 39 N -4.45 0.00 -3.74 -1.09 -0.04 -1.26 -4.94 135.00 119.48 2otr n PRO 39 Ca -0.28 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.90 2otr n PRO 39 Cb 0.60 -0.15 0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.22 -2.74 -2.56 1.53 4.32 -1.26 -4.06 117.00 112.00 2otr n LEU 40 Ca 0.00 -0.66 -0.06 0.00 -0.02 0.00 0.00 56.01 55.27 2otr n LEU 40 Cb 0.00 -2.70 -0.05 0.00 -1.62 0.00 0.00 43.42 39.06 2otr n LEU 40 CO 0.00 0.49 -0.67 0.00 -1.22 0.00 0.00 177.39 176.00 2otr n ALA 41 N -4.65 -3.68 -0.85 -1.18 0.00 -0.85 -4.05 120.51 105.25 2otr n ALA 41 Ca 0.02 2.39 -0.27 0.00 0.00 0.00 0.00 53.44 55.58 2otr n ALA 41 Cb 0.54 -4.68 -0.02 0.00 0.00 0.00 0.00 19.45 15.28 2otr n ALA 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2otr n PRO 42 N 1.69 2.00 0.00 0.00 -0.04 -1.26 -3.07 135.00 134.32 2otr n PRO 42 Ca -0.41 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 2otr n PRO 42 Cb 0.64 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2otr n PRO 42 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2otr n LYS 43 N 4.80 0.00 0.05 0.54 0.00 -1.26 -4.93 118.16 117.36 2otr n LYS 43 Ca 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.70 2otr n LYS 43 Cb 0.19 -0.01 -0.12 0.00 -0.00 0.00 0.00 35.03 35.09 2otr n LYS 43 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2otr h TYR 44 N 0.00 0.00 -4.18 5.58 0.05 -1.82 -3.50 116.97 113.10 2otr h TYR 44 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2otr h TYR 44 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2otr h TYR 44 CO 0.00 0.97 -0.90 1.63 -1.05 0.00 0.00 178.16 178.81 2otr n LYS 45 N -3.27 -5.20 -2.52 4.88 4.76 -1.24 -4.97 118.16 110.60 2otr n LYS 45 Ca -0.04 3.73 -0.31 0.00 -2.87 0.00 0.00 58.31 58.82 2otr n LYS 45 Cb 0.95 -4.05 -0.03 0.00 -1.84 0.00 0.00 35.03 30.06 2otr n LYS 45 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2otr s ASP 46 N -0.49 6.58 0.00 4.39 -4.77 -1.26 -4.97 116.67 116.15 2otr s ASP 46 Ca 0.00 1.43 0.00 0.00 -3.30 0.00 0.00 52.55 50.68 2otr s ASP 46 Cb 0.00 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.38 2otr s ASP 46 CO 0.00 -0.54 0.00 0.00 0.70 0.00 0.00 175.17 175.33 2otr n HIS 47 N -1.53 0.00 -1.60 2.11 1.44 -1.24 -5.07 115.22 109.33 2otr n HIS 47 Ca 0.05 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.45 2otr n HIS 47 Cb 0.54 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.70 2otr n HIS 47 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2otr s PRO 48 N -2.00 2.90 0.00 -1.40 0.04 -1.26 -3.64 135.00 129.64 2otr s PRO 48 Ca 0.00 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 61.99 2otr s PRO 48 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2otr s PRO 48 CO 0.00 -1.13 0.85 -0.07 0.04 0.00 0.00 177.00 176.69 2otr h LEU 49 N -0.58 -0.24 -6.63 -3.56 3.38 -1.89 -3.45 115.31 102.34 2otr h LEU 49 Ca -0.44 0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.21 2otr h LEU 49 Cb 1.22 0.06 -0.34 0.00 0.09 0.00 0.00 40.66 41.68 2otr h LEU 49 CO 0.56 -0.13 -0.63 -0.54 0.09 0.00 0.00 178.44 177.78 2otr s LYS 50 N -3.13 0.27 0.03 1.13 1.02 -1.26 -5.12 119.74 112.67 2otr s LYS 50 Ca -0.04 -0.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 2otr s LYS 50 Cb 0.00 -0.89 -0.07 0.00 -0.52 0.00 0.00 37.83 36.35 2otr s LYS 50 CO 0.12 -0.87 1.63 0.20 -0.92 0.00 0.00 175.35 175.52 2otr s GLY 51 N 2.34 1.59 0.00 -3.33 0.00 -1.26 -3.46 107.32 103.20 2otr s GLY 51 Ca 0.09 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.91 2otr s GLY 51 CO -0.25 2.90 0.00 0.61 0.00 0.00 0.00 173.10 176.36 2otr n GLY 52 N 4.00 1.68 0.00 0.20 0.00 -1.26 -4.94 105.19 104.88 2otr n GLY 52 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2otr n GLY 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2otr n LEU 53 N 0.00 0.00 -3.97 0.99 -0.00 -1.24 -5.14 117.00 107.64 2otr n LEU 53 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.83 2otr n LEU 53 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 2otr n LEU 53 CO 0.00 0.00 -0.42 -0.54 -0.00 0.00 0.00 177.39 176.43 2otr s LYS 54 N -0.92 0.63 -0.38 1.47 1.02 -1.22 -5.03 119.74 115.30 2otr s LYS 54 Ca 0.00 -0.23 0.05 0.00 0.02 0.00 0.00 55.97 55.81 2otr s LYS 54 Cb 0.00 -0.62 0.64 0.00 -0.52 0.00 0.00 37.83 37.33 2otr s LYS 54 CO 0.00 0.11 1.82 -0.25 -0.92 0.00 0.00 175.35 176.11 2otr n ASP 55 N 3.12 3.95 -4.50 2.83 8.00 -1.26 -4.62 116.55 124.08 2otr n ASP 55 Ca -0.16 -3.39 -0.29 0.00 0.71 0.00 0.00 54.79 51.67 2otr n ASP 55 Cb 0.56 -0.79 0.14 0.00 -0.02 0.00 0.00 41.12 41.01 2otr n ASP 55 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2otr s PHE 56 N -2.97 2.20 -0.30 1.24 0.40 -1.26 -3.67 117.98 113.62 2otr s PHE 56 Ca 0.52 0.47 -0.17 0.00 -0.60 0.00 0.00 56.93 57.16 2otr s PHE 56 Cb 0.43 -3.79 0.19 0.00 0.51 0.00 0.00 43.02 40.36 2otr s PHE 56 CO 0.11 -2.21 1.17 1.03 0.70 0.00 0.00 175.22 176.02 2otr s ARG 57 N -5.71 0.15 -0.12 0.44 0.52 -0.58 -4.19 118.95 109.46 2otr s ARG 57 Ca 0.68 0.30 0.01 0.00 -0.52 0.00 0.00 55.73 56.20 2otr s ARG 57 Cb -0.07 0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.49 2otr s ARG 57 CO 0.51 -0.04 -0.17 -2.00 0.02 0.00 0.00 175.30 173.62 2otr s GLU 58 N 1.60 3.23 0.22 3.54 2.12 -1.24 -0.88 118.70 127.28 2otr s GLU 58 Ca -0.05 -0.75 0.03 0.00 0.36 0.00 0.00 54.97 54.56 2otr s GLU 58 Cb -0.03 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.84 2otr s GLU 58 CO -0.14 0.23 0.12 0.00 -0.54 0.00 0.00 175.26 174.93 2otr s HIS 60 N -2.59 1.74 0.49 0.00 3.76 -1.26 -0.44 115.29 117.00 2otr s HIS 60 Ca 0.17 -2.58 0.18 0.00 -0.15 0.00 0.00 55.06 52.67 2otr s HIS 60 Cb 0.01 -1.39 1.22 0.00 1.11 0.00 0.00 32.58 33.53 2otr s HIS 60 CO 0.12 -0.75 2.05 1.37 -0.85 0.00 0.00 174.74 176.67 2otr h LEU 61 N 5.61 0.13 -8.23 0.89 8.10 -1.81 -2.27 115.31 117.74 2otr h LEU 61 Ca 0.23 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.95 2otr h LEU 61 Cb 0.87 -0.03 -0.20 0.00 -0.44 0.00 0.00 40.66 40.86 2otr h LEU 61 CO 0.46 0.08 -0.73 -0.54 -4.11 0.00 0.00 178.44 173.60 2otr s LYS 62 N -5.17 0.60 0.18 0.17 1.02 -1.25 -4.43 119.74 110.87 2otr s LYS 62 Ca -0.06 -0.87 -0.33 0.00 0.02 0.00 0.00 55.97 54.74 2otr s LYS 62 Cb 0.19 -0.31 -0.15 0.00 -0.52 0.00 0.00 37.83 37.03 2otr s LYS 62 CO 0.71 0.05 1.34 -2.30 -0.92 0.00 0.00 175.35 174.23 2otr n PRO 63 N 1.20 1.64 -2.04 -1.68 -0.02 -1.26 -0.72 135.00 132.12 2otr n PRO 63 Ca -0.21 0.58 -0.20 0.00 -2.02 0.00 0.00 63.50 61.65 2otr n PRO 63 Cb 0.56 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 2otr n PRO 63 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2otr n ASP 64 N 2.34 -5.62 -3.78 2.55 8.00 -1.26 -4.96 116.55 113.83 2otr n ASP 64 Ca 0.14 0.22 -0.25 0.00 0.71 0.00 0.00 54.79 55.62 2otr n ASP 64 Cb 0.27 -4.80 -0.17 0.00 -0.02 0.00 0.00 41.12 36.40 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2otr s LEU 65 N -5.43 0.84 0.79 0.64 1.02 0.10 -4.11 118.68 112.53 2otr s LEU 65 Ca 0.00 -0.32 -0.03 0.00 0.02 0.00 0.00 54.13 53.80 2otr s LEU 65 Cb 0.00 -0.54 0.16 0.00 0.02 0.00 0.00 46.19 45.82 2otr s LEU 65 CO 0.00 -0.21 1.08 -0.76 0.02 0.00 0.00 176.35 176.48 2otr s LEU 66 N 1.90 2.90 -0.29 1.79 1.02 0.93 -3.75 118.68 123.18 2otr s LEU 66 Ca 0.03 -0.35 -0.03 0.00 0.02 0.00 0.00 54.13 53.80 2otr s LEU 66 Cb -0.14 -1.84 0.19 0.00 0.02 0.00 0.00 46.19 44.42 2otr s LEU 66 CO -0.06 -2.13 0.82 -0.22 0.02 0.00 0.00 176.35 174.77 2otr s LEU 67 N -5.32 -1.03 -0.23 1.79 2.96 0.42 -2.80 118.68 114.48 2otr s LEU 67 Ca 0.69 0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 54.59 2otr s LEU 67 Cb -0.04 1.66 -0.04 0.00 0.50 0.00 0.00 46.19 48.27 2otr s LEU 67 CO 0.47 -0.19 0.37 -0.69 -1.32 0.00 0.00 176.35 174.99 2otr s VAL 68 N 2.89 5.20 0.06 1.68 1.01 -0.59 -1.27 120.40 129.39 2otr s VAL 68 Ca 0.19 0.61 -0.00 0.00 0.00 0.00 0.00 61.98 62.78 2otr s VAL 68 Cb -0.06 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2otr s VAL 68 CO -0.24 0.22 -0.04 -0.72 0.00 0.00 0.00 175.10 174.32 2otr s TYR 69 N 1.57 0.62 -0.08 5.22 -0.85 -0.06 0.17 117.35 123.93 2otr s TYR 69 Ca 0.17 -1.00 -0.02 0.00 -0.52 0.00 0.00 57.07 55.70 2otr s TYR 69 Cb -0.15 -0.42 0.03 0.00 0.38 0.00 0.00 41.96 41.81 2otr s TYR 69 CO 0.08 -0.31 0.03 -1.14 -1.52 0.00 0.00 175.55 172.69 2otr s GLN 70 N -3.77 0.39 -0.17 -3.49 -0.44 -0.11 -1.53 119.66 110.52 2otr s GLN 70 Ca 0.07 0.12 -0.25 0.00 -2.50 0.00 0.00 55.36 52.80 2otr s GLN 70 Cb 0.06 -1.02 -0.02 0.00 -1.64 0.00 0.00 33.01 30.39 2otr s GLN 70 CO -0.08 -0.37 0.81 0.42 0.50 0.00 0.00 175.29 176.57 2otr s ILE 71 N 2.03 4.90 -0.56 -2.34 1.09 -1.24 -2.78 121.20 122.29 2otr s ILE 71 Ca 0.04 1.58 -0.18 0.00 -1.10 0.00 0.00 60.65 61.00 2otr s ILE 71 Cb -0.13 -4.11 0.11 0.00 -1.06 0.00 0.00 42.46 37.27 2otr s ILE 71 CO -0.05 0.04 0.61 -1.59 -0.10 0.00 0.00 174.94 173.84 2otr s LYS 72 N 2.12 3.02 0.63 2.79 0.00 -0.85 -4.90 119.74 122.55 2otr s LYS 72 Ca 0.37 -1.45 0.34 0.00 0.00 0.00 0.00 55.97 55.22 2otr s LYS 72 Cb -0.16 -4.27 1.88 0.00 0.00 0.00 0.00 37.83 35.28 2otr s LYS 72 CO 0.12 -1.42 2.14 1.57 0.00 0.00 0.00 175.35 177.76 2otr h LYS 73 N 9.04 0.00 -1.02 1.78 5.09 -1.95 0.29 116.57 129.80 2otr h LYS 73 Ca -0.30 0.00 0.25 0.00 0.09 0.00 0.00 60.65 60.70 2otr h LYS 73 Cb 1.09 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.34 2otr h LYS 73 CO 1.06 0.00 0.66 0.37 -2.09 0.00 0.00 179.45 179.45 2otr h GLN 74 N 0.00 0.39 0.00 0.07 5.75 -1.98 -3.10 115.11 116.24 2otr h GLN 74 Ca 0.04 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2otr h GLN 74 Cb 0.39 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.85 2otr h GLN 74 CO -0.00 0.26 -0.30 -0.85 -2.65 0.00 0.00 178.83 175.28 2otr n GLU 75 N -4.60 0.00 -3.51 1.69 0.28 -0.75 -5.06 120.64 108.70 2otr n GLU 75 Ca 0.24 -0.67 -0.17 0.00 -0.16 0.00 0.00 57.16 56.40 2otr n GLU 75 Cb 0.85 -0.37 0.00 0.00 1.43 0.00 0.00 31.44 33.35 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 0.00 -5.93 -4.17 -1.84 3.02 0.94 -4.83 115.26 102.45 2otr n ASN 76 Ca 0.00 -0.58 -0.19 0.00 -0.03 0.00 0.00 54.58 53.78 2otr n ASN 76 Cb 0.62 -2.94 -0.12 0.00 -0.61 0.00 0.00 39.78 36.73 2otr n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2otr s THR 77 N -2.88 1.14 -0.78 3.41 2.01 -1.12 -3.04 115.64 114.38 2otr s THR 77 Ca 0.03 -1.22 -0.12 0.00 0.31 0.00 0.00 61.69 60.69 2otr s THR 77 Cb -0.01 -1.08 0.21 0.00 0.01 0.00 0.00 72.50 71.63 2otr s THR 77 CO 0.85 -0.15 0.70 -0.22 -0.69 0.00 0.00 174.62 175.11 2otr s LEU 78 N -1.56 6.48 -0.34 4.42 2.96 0.06 -2.01 118.68 128.70 2otr s LEU 78 Ca -0.00 -2.69 -0.21 0.00 -0.22 0.00 0.00 54.13 51.01 2otr s LEU 78 Cb -0.09 -2.15 -0.00 0.00 0.50 0.00 0.00 46.19 44.45 2otr s LEU 78 CO 0.02 -0.55 0.66 0.12 -1.32 0.00 0.00 176.35 175.29 2otr s PHE 79 N 0.17 3.17 0.98 5.38 5.36 -1.12 -2.28 117.98 129.65 2otr s PHE 79 Ca 0.17 0.49 -0.12 0.00 -0.96 0.00 0.00 56.93 56.51 2otr s PHE 79 Cb -0.13 -3.12 0.18 0.00 -0.34 0.00 0.00 43.02 39.61 2otr s PHE 79 CO -0.08 -0.58 1.09 -0.51 -1.46 0.00 0.00 175.22 173.68 2otr s LEU 80 N 2.74 1.73 0.27 6.12 2.01 -0.91 -0.94 118.68 129.70 2otr s LEU 80 Ca 0.26 1.31 0.00 0.00 0.01 0.00 0.00 54.13 55.71 2otr s LEU 80 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.52 2otr s LEU 80 CO 0.14 -3.10 0.00 0.52 1.01 0.00 0.00 176.35 174.92 2otr n VAL 81 N -4.16 0.00 -4.32 -1.59 0.31 0.44 -4.42 118.33 104.59 2otr n VAL 81 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.22 2otr n VAL 81 Cb 0.56 -0.48 -0.10 0.00 -0.91 0.00 0.00 33.84 32.92 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 -2.00 1.31 -0.30 5.55 1.81 -0.69 -3.41 118.95 121.23 2otr s ARG 82 Ca 0.00 -1.66 -0.24 0.00 -1.72 0.00 0.00 55.73 52.11 2otr s ARG 82 Cb 0.00 -0.58 0.18 0.00 -0.45 0.00 0.00 34.95 34.10 2otr s ARG 82 CO 0.00 -0.10 1.37 -1.17 -0.68 0.00 0.00 175.30 174.72 2otr s LEU 83 N -3.29 -0.11 0.00 2.53 0.20 -1.26 -1.54 118.68 115.20 2otr s LEU 83 Ca 0.28 0.21 0.00 0.00 0.69 0.00 0.00 54.13 55.32 2otr s LEU 83 Cb 0.06 1.22 0.00 0.00 -0.43 0.00 0.00 46.19 47.03 2otr s LEU 83 CO 0.08 -0.04 0.00 0.61 -0.29 0.00 0.00 176.35 176.72 2otr n GLY 84 N 1.81 0.13 3.22 7.98 0.00 -1.12 -4.67 105.19 112.54 2otr n GLY 84 Ca -0.11 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 2otr n GLY 84 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2otr s SER 85 N -4.00 2.12 0.50 1.61 0.15 -1.26 -0.05 113.70 112.78 2otr s SER 85 Ca 0.00 -0.58 0.15 0.00 0.70 0.00 0.00 55.95 56.23 2otr s SER 85 Cb 0.00 -0.13 1.21 0.00 -1.71 0.00 0.00 66.02 65.39 2otr s SER 85 CO 0.00 0.05 2.11 -0.74 1.20 0.00 0.00 173.24 175.86 2otr h HIS 86 N 4.52 0.10 0.03 3.44 2.76 -1.96 -0.96 115.15 123.07 2otr h HIS 86 Ca -0.42 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.47 2otr h HIS 86 Cb 1.18 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 30.07 2otr h HIS 86 CO 0.57 0.06 -1.55 0.77 -1.30 0.00 0.00 177.93 176.48 2otr h SER 87 N 0.10 0.08 0.26 3.26 0.02 -1.98 -3.34 113.55 111.96 2otr h SER 87 Ca 0.06 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 2otr h SER 87 Cb 0.12 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2otr h SER 87 CO -0.01 1.13 -0.35 -0.08 -1.14 0.00 0.00 176.83 176.37 2otr h GLU 88 N 0.01 0.14 0.59 3.45 4.81 -1.75 -3.25 114.58 118.60 2otr h GLU 88 Ca -0.23 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2otr h GLU 88 Cb 1.96 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.34 2otr h GLU 88 CO 0.10 0.48 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.51 2otr h LEU 89 N 0.13 -0.67 0.00 1.64 -0.00 -1.32 -3.48 115.31 111.60 2otr h LEU 89 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2otr h LEU 89 Cb 0.69 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 2otr h LEU 89 CO 0.05 -0.48 0.00 0.49 -0.00 0.00 0.00 178.44 178.50