#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 4.08 0.00 4.03 1.43 -1.26 -4.98 118.68 121.98 2otr s LEU 2 Ca 0.00 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 2otr s LEU 2 Cb 0.00 -2.70 0.23 0.00 0.03 0.00 0.00 46.19 43.75 2otr s LEU 2 CO 0.00 0.13 0.81 0.41 0.23 0.00 0.00 176.35 177.93 2otr n THR 3 N 0.10 0.00 -3.79 5.49 -1.04 -1.13 -4.62 114.28 109.29 2otr n THR 3 Ca -0.07 -0.34 -0.25 0.00 -2.04 0.00 0.00 64.05 61.34 2otr n THR 3 Cb 0.52 -1.16 -0.17 0.00 -1.82 0.00 0.00 70.33 67.71 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 -2.45 0.58 0.26 12.58 1.09 -1.26 -0.29 121.20 131.70 2otr s ILE 4 Ca 0.53 -0.19 0.09 0.00 -1.10 0.00 0.00 60.65 59.98 2otr s ILE 4 Cb -0.05 -0.81 -0.04 0.00 -1.06 0.00 0.00 42.46 40.50 2otr s ILE 4 CO 0.41 0.14 0.06 -1.61 -0.10 0.00 0.00 174.94 173.84 2otr s GLU 5 N 1.87 2.51 0.07 2.79 0.41 -0.76 -4.97 118.70 120.63 2otr s GLU 5 Ca 0.03 -1.28 0.05 0.00 -0.41 0.00 0.00 54.97 53.36 2otr s GLU 5 Cb -0.14 -2.31 -0.03 0.00 -1.78 0.00 0.00 34.13 29.88 2otr s GLU 5 CO -0.07 0.38 -0.14 0.95 -0.49 0.00 0.00 175.26 175.90 2otr s THR 6 N -2.24 1.08 0.00 3.63 -4.23 -1.26 -2.13 115.64 110.50 2otr s THR 6 Ca 0.32 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 2otr s THR 6 Cb -0.07 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.73 2otr s THR 6 CO 0.22 -0.22 0.00 -0.24 -0.54 0.00 0.00 174.62 173.83 2otr n SER 7 N 1.31 0.61 -0.07 3.99 2.88 -1.26 -4.96 113.62 116.12 2otr n SER 7 Ca -0.21 -0.68 -0.13 0.00 -1.33 0.00 0.00 58.87 56.52 2otr n SER 7 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 2otr n SER 7 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2otr h LYS 8 N 0.00 0.00 -0.06 -1.46 1.57 -1.96 -3.23 116.57 111.42 2otr h LYS 8 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2otr h LYS 8 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2otr h LYS 8 CO 0.00 0.79 -0.50 0.87 -0.57 0.00 0.00 179.45 180.04 2otr h LYS 9 N -1.00 0.16 0.37 3.15 1.79 -1.98 -3.02 116.57 116.05 2otr h LYS 9 Ca -0.08 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 2otr h LYS 9 Cb 0.89 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2otr h LYS 9 CO -0.05 0.63 -0.18 0.35 -1.08 0.00 0.00 179.45 179.12 2otr h PHE 10 N 0.13 -0.47 -0.17 -1.35 3.57 -1.68 0.28 116.94 117.26 2otr h PHE 10 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2otr h PHE 10 Cb 0.93 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 2otr h PHE 10 CO 0.01 -0.29 0.11 0.22 -2.23 0.00 0.00 178.31 176.14 2otr h ASP 11 N -0.50 0.12 1.76 0.41 3.58 -1.57 -0.01 116.42 120.21 2otr h ASP 11 Ca -0.05 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2otr h ASP 11 Cb 0.39 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2otr h ASP 11 CO 0.08 0.08 -0.24 0.11 -2.88 0.00 0.00 179.24 176.40 2otr h LYS 12 N 0.14 0.00 0.00 0.28 1.57 -1.30 -2.96 116.57 114.29 2otr h LYS 12 Ca 0.07 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 2otr h LYS 12 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2otr h LYS 12 CO -0.01 0.00 -1.24 -0.44 -0.57 0.00 0.00 179.45 177.20 2otr h ASP 13 N 0.00 0.00 0.40 0.86 5.19 0.14 -3.33 116.42 119.67 2otr h ASP 13 Ca -0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 2otr h ASP 13 Cb 1.00 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.53 2otr h ASP 13 CO 0.00 0.84 -1.46 -0.07 -3.12 0.00 0.00 179.24 175.43 2otr h LEU 14 N 0.00 0.61 -2.02 1.55 4.07 -1.27 -3.12 115.31 115.13 2otr h LEU 14 Ca -0.13 -0.71 0.05 0.00 0.08 0.00 0.00 57.88 57.17 2otr h LEU 14 Cb 1.75 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 43.29 2otr h LEU 14 CO 0.09 1.57 0.12 0.07 -1.08 0.00 0.00 178.44 179.21 2otr h LYS 15 N 0.11 0.00 0.15 1.13 2.10 -1.66 -2.27 116.57 116.13 2otr h LYS 15 Ca -0.23 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.20 2otr h LYS 15 Cb 2.08 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 33.43 2otr h LYS 15 CO 0.22 0.00 -1.01 0.82 -2.00 0.00 0.00 179.45 177.48 2otr h ILE 16 N 0.00 1.40 -0.23 0.07 1.08 -1.67 -3.29 117.51 114.87 2otr h ILE 16 Ca 0.08 -2.54 0.07 0.00 -0.39 0.00 0.00 64.86 62.08 2otr h ILE 16 Cb 0.33 3.10 -0.01 0.00 -3.07 0.00 0.00 36.82 37.17 2otr h ILE 16 CO -0.00 0.73 0.22 -0.07 -0.69 0.00 0.00 178.15 178.34 2otr h LEU 17 N -0.29 0.00 0.28 1.44 -0.00 -1.36 -2.33 115.31 113.05 2otr h LEU 17 Ca -0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2otr h LEU 17 Cb 1.73 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.38 2otr h LEU 17 CO 0.15 0.00 -0.25 0.58 -0.00 0.00 0.00 178.44 178.92 2otr h VAL 18 N 0.00 0.47 -0.07 1.22 2.07 -1.50 -1.89 116.25 116.55 2otr h VAL 18 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 2otr h VAL 18 Cb 0.55 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2otr h VAL 18 CO -0.00 0.00 0.06 0.50 0.02 0.00 0.00 177.57 178.15 2otr h LYS 19 N -0.55 0.00 -1.04 1.57 1.63 -1.58 -1.01 116.57 115.60 2otr h LYS 19 Ca -0.01 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 59.27 2otr h LYS 19 Cb 0.49 0.00 -0.27 0.00 -0.60 0.00 0.00 32.23 31.85 2otr h LYS 19 CO -0.04 0.00 0.66 0.09 -3.45 0.00 0.00 179.45 176.71 2otr n ASN 20 N -4.32 5.03 -1.64 4.20 5.03 -0.75 -4.91 115.26 117.90 2otr n ASN 20 Ca -0.01 -3.51 -0.00 0.00 0.87 0.00 0.00 54.58 51.93 2otr n ASN 20 Cb 0.16 -0.87 0.00 0.00 -1.02 0.00 0.00 39.78 38.05 2otr n ASN 20 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2otr n GLY 21 N -0.86 -2.62 3.61 7.41 0.00 -0.40 -4.99 105.19 107.34 2otr n GLY 21 Ca 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.35 -0.05 0.13 1.61 5.36 -1.09 -4.77 117.98 118.82 2otr s PHE 22 Ca 0.00 -0.01 -0.20 0.00 -0.96 0.00 0.00 56.93 55.76 2otr s PHE 22 Cb -0.00 0.53 0.05 0.00 -0.34 0.00 0.00 43.02 43.26 2otr s PHE 22 CO 0.09 -0.19 0.51 0.34 -1.46 0.00 0.00 175.22 174.51 2otr s ASP 23 N -2.72 -0.42 -0.01 6.13 -1.08 -1.26 -4.40 116.67 112.91 2otr s ASP 23 Ca 0.13 -0.08 0.12 0.00 -0.52 0.00 0.00 52.55 52.20 2otr s ASP 23 Cb 0.04 0.53 -0.22 0.00 -1.46 0.00 0.00 42.92 41.81 2otr s ASP 23 CO -0.04 -0.88 0.78 -0.07 0.52 0.00 0.00 175.17 175.48 2otr h LEU 24 N 2.28 0.00 -0.38 -1.34 4.07 -2.00 -3.34 115.31 114.60 2otr h LEU 24 Ca -0.33 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.60 2otr h LEU 24 Cb 1.27 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.99 2otr h LEU 24 CO 0.42 0.97 0.14 0.50 -1.08 0.00 0.00 178.44 179.38 2otr h LYS 25 N 0.00 0.57 -0.16 1.13 3.64 -2.00 -1.94 116.57 117.81 2otr h LYS 25 Ca -0.23 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2otr h LYS 25 Cb 1.94 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 2otr h LYS 25 CO 0.09 0.56 0.10 1.37 -2.27 0.00 0.00 179.45 179.30 2otr h LEU 26 N 0.46 0.19 -0.40 5.20 8.10 -2.00 -1.25 115.31 125.62 2otr h LEU 26 Ca 0.12 -0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.96 2otr h LEU 26 Cb 0.22 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.37 2otr h LEU 26 CO -0.01 0.14 -0.71 0.25 -4.11 0.00 0.00 178.44 174.01 2otr h LEU 27 N 0.22 0.00 -2.04 0.17 6.46 -1.58 -3.04 115.31 115.50 2otr h LEU 27 Ca 0.06 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2otr h LEU 27 Cb -0.02 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2otr h LEU 27 CO -0.01 0.71 0.06 0.22 -0.62 0.00 0.00 178.44 178.80 2otr h TYR 28 N 0.00 0.00 0.01 1.25 3.20 -0.45 -1.75 116.97 119.23 2otr h TYR 28 Ca -0.01 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.58 2otr h TYR 28 Cb 1.36 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.58 2otr h TYR 28 CO 0.00 0.00 -1.63 0.87 -1.64 0.00 0.00 178.16 175.76 2otr h LYS 29 N 0.00 0.03 0.00 1.82 6.56 -1.55 -3.33 116.57 120.10 2otr h LYS 29 Ca 0.04 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 2otr h LYS 29 Cb 0.17 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2otr h LYS 29 CO -0.00 0.63 -0.05 0.28 -2.06 0.00 0.00 179.45 178.24 2otr h VAL 30 N 0.01 0.29 -0.90 0.50 2.07 -1.22 -2.70 116.25 114.30 2otr h VAL 30 Ca -0.26 -0.35 0.26 0.00 0.82 0.00 0.00 66.70 67.17 2otr h VAL 30 Cb 1.98 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 2otr h VAL 30 CO 0.09 0.05 0.68 -0.37 0.02 0.00 0.00 177.57 178.04 2otr h VAL 31 N 0.00 0.48 -0.14 2.57 -1.51 -1.57 0.38 116.25 116.46 2otr h VAL 31 Ca -0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.34 2otr h VAL 31 Cb 0.26 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 29.93 2otr h VAL 31 CO 0.01 0.00 -0.47 1.23 -1.23 0.00 0.00 177.57 177.11 2otr h GLY 32 N 0.00 0.38 1.37 5.19 0.00 -1.75 -2.90 103.07 105.37 2otr h GLY 32 Ca 0.43 -0.40 -0.23 0.00 0.00 0.00 0.00 47.33 47.12 2otr h GLY 32 CO -0.00 0.36 -1.35 3.43 0.00 0.00 0.00 176.54 178.97 2otr h ASN 33 N 0.28 0.00 -0.64 0.19 4.21 -0.55 -3.22 115.58 115.85 2otr h ASN 33 Ca 0.02 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.48 2otr h ASN 33 Cb 0.93 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.10 2otr h ASN 33 CO 0.08 0.89 0.24 -0.07 -1.29 0.00 0.00 177.43 177.28 2otr h LEU 34 N 0.00 0.92 -0.26 1.61 3.38 -0.93 0.83 115.31 120.86 2otr h LEU 34 Ca -0.16 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.46 2otr h LEU 34 Cb 1.82 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 2otr h LEU 34 CO 0.09 0.84 -0.87 0.00 0.09 0.00 0.00 178.44 178.60 2otr h ALA 35 N 1.28 0.46 0.16 1.53 0.00 -1.63 -3.29 119.26 117.78 2otr h ALA 35 Ca 0.22 -0.68 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 2otr h ALA 35 Cb 0.23 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.01 2otr h ALA 35 CO -0.01 0.82 -1.18 1.79 0.00 0.00 0.00 179.25 180.67 2otr h THR 36 N 0.22 1.34 -5.58 0.00 1.35 -1.49 -3.49 112.91 105.25 2otr h THR 36 Ca -0.06 -2.52 -0.25 0.00 -0.55 0.00 0.00 66.41 63.03 2otr h THR 36 Cb 1.48 2.92 0.15 0.00 -1.73 0.00 0.00 68.15 70.97 2otr h THR 36 CO 0.15 0.75 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.78 2otr n GLU 37 N -3.88 -1.95 -0.10 4.72 1.02 0.29 -4.98 120.64 115.76 2otr n GLU 37 Ca -0.15 0.88 -0.17 0.00 -0.02 0.00 0.00 57.16 57.71 2otr n GLU 37 Cb 0.97 -5.50 -0.06 0.00 -0.02 0.00 0.00 31.44 26.83 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 -3.20 0.49 0.00 3.49 6.02 -1.26 -4.92 117.38 118.00 2otr n GLN 38 Ca -0.07 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2otr n GLN 38 Cb 0.60 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.52 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 -4.22 0.00 -2.18 -1.09 -0.04 -1.26 -4.91 135.00 121.30 2otr n PRO 39 Ca -0.30 0.13 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 2otr n PRO 39 Cb 0.64 -0.53 -0.01 0.00 -0.04 0.00 0.00 33.50 33.56 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 -1.29 -0.80 -1.94 1.53 7.99 -1.26 -4.12 117.00 117.10 2otr n LEU 40 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 2otr n LEU 40 Cb 0.00 -1.77 0.00 0.00 -0.11 0.00 0.00 43.42 41.54 2otr n LEU 40 CO 0.00 -0.18 -0.45 0.00 -1.51 0.00 0.00 177.39 175.25 2otr n ALA 41 N -1.75 -2.11 -0.21 -1.18 0.00 -1.26 -4.10 120.51 109.92 2otr n ALA 41 Ca -0.10 0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.90 2otr n ALA 41 Cb 0.52 -1.39 0.42 0.00 0.00 0.00 0.00 19.45 18.99 2otr n ALA 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2otr h PRO 42 N 3.93 0.58 -0.02 0.00 0.11 -1.96 -0.04 132.00 134.59 2otr h PRO 42 Ca 0.00 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 2otr h PRO 42 Cb 0.00 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 2otr h PRO 42 CO 0.00 0.38 -0.48 1.57 -0.21 0.00 0.00 178.00 179.26 2otr h LYS 43 N 0.59 0.04 -2.38 1.05 -0.00 -1.93 -3.27 116.57 110.67 2otr h LYS 43 Ca 0.39 -0.02 -0.71 0.00 -0.00 0.00 0.00 60.65 60.31 2otr h LYS 43 Cb 0.67 0.00 -0.34 0.00 -0.00 0.00 0.00 32.23 32.55 2otr h LYS 43 CO -0.15 0.52 0.19 0.66 -0.00 0.00 0.00 179.45 180.67 2otr n TYR 44 N -3.97 3.21 -1.58 0.07 4.01 -0.03 -5.02 117.16 113.86 2otr n TYR 44 Ca -0.02 -3.28 -0.38 0.00 -0.16 0.00 0.00 57.90 54.06 2otr n TYR 44 Cb 0.51 -0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 38.62 2otr n TYR 44 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2otr s LYS 45 N -3.44 2.35 0.45 -0.72 1.02 -1.20 -4.45 119.74 113.76 2otr s LYS 45 Ca 0.41 1.55 -0.23 0.00 0.02 0.00 0.00 55.97 57.72 2otr s LYS 45 Cb 0.18 -4.53 -0.10 0.00 -0.52 0.00 0.00 37.83 32.86 2otr s LYS 45 CO -0.06 -2.99 0.88 -0.40 -0.92 0.00 0.00 175.35 171.86 2otr n ASP 46 N 14.86 0.62 -3.58 2.83 5.75 -1.26 -5.00 116.55 130.77 2otr n ASP 46 Ca 0.35 0.96 -0.06 0.00 -0.01 0.00 0.00 54.79 56.02 2otr n ASP 46 Cb 0.52 -1.30 -0.02 0.00 -1.03 0.00 0.00 41.12 39.30 2otr n ASP 46 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2otr s HIS 47 N -1.37 -0.26 1.03 2.11 3.76 -1.16 -5.05 115.29 114.34 2otr s HIS 47 Ca 0.65 0.09 -0.15 0.00 -0.15 0.00 0.00 55.06 55.51 2otr s HIS 47 Cb -0.54 0.56 0.20 0.00 1.11 0.00 0.00 32.58 33.92 2otr s HIS 47 CO 0.55 -0.57 1.13 -1.25 -0.85 0.00 0.00 174.74 173.76 2otr s PRO 48 N -3.05 0.17 -0.16 8.40 0.04 -1.26 -3.02 135.00 136.11 2otr s PRO 48 Ca 0.08 0.20 -0.14 0.00 0.04 0.00 0.00 61.00 61.17 2otr s PRO 48 Cb -0.01 -1.73 -0.23 0.00 0.04 0.00 0.00 34.50 32.57 2otr s PRO 48 CO -0.06 -2.83 0.30 -0.07 0.04 0.00 0.00 177.00 174.38 2otr h LEU 49 N -1.96 0.21 -0.46 -3.56 4.07 -1.73 -3.46 115.31 108.43 2otr h LEU 49 Ca -0.50 -0.73 0.04 0.00 0.08 0.00 0.00 57.88 56.77 2otr h LEU 49 Cb 1.31 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.97 2otr h LEU 49 CO 0.51 1.67 -0.60 1.17 -1.08 0.00 0.00 178.44 180.12 2otr n LYS 50 N -3.97 -2.32 0.00 1.13 4.81 -1.16 -4.97 118.16 111.67 2otr n LYS 50 Ca -0.32 1.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.94 2otr n LYS 50 Cb 0.86 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2otr n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2otr n GLY 51 N -2.36 1.31 1.41 3.14 0.00 -1.26 -4.55 105.19 102.88 2otr n GLY 51 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 4.03 0.00 -0.02 0.00 -1.26 -4.89 105.19 103.05 2otr n GLY 52 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.45 0.00 -0.09 0.99 -0.00 -1.26 -5.06 117.00 111.12 2otr n LEU 53 Ca 0.32 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 56.15 2otr n LEU 53 Cb 1.13 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 44.42 2otr n LEU 53 CO 0.28 0.00 -1.17 2.29 -0.00 0.00 0.00 177.39 178.79 2otr n LYS 54 N 0.00 0.68 0.27 1.47 2.85 -1.26 -2.98 118.16 119.19 2otr n LYS 54 Ca 0.00 0.16 0.18 0.00 -1.05 0.00 0.00 58.31 57.60 2otr n LYS 54 Cb 0.00 -1.57 0.91 0.00 -0.65 0.00 0.00 35.03 33.72 2otr n LYS 54 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2otr h ASP 55 N 0.02 0.00 -3.47 -5.58 5.19 -1.97 -3.41 116.42 107.20 2otr h ASP 55 Ca -0.53 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.28 2otr h ASP 55 Cb 1.98 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 41.37 2otr h ASP 55 CO -0.03 0.00 -0.18 -0.36 -3.12 0.00 0.00 179.24 175.55 2otr s PHE 56 N -3.84 3.38 0.04 4.55 0.40 -1.26 -4.35 117.98 116.90 2otr s PHE 56 Ca -0.02 0.64 -0.07 0.00 -0.60 0.00 0.00 56.93 56.87 2otr s PHE 56 Cb 0.10 -2.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 2otr s PHE 56 CO 0.38 -0.01 0.14 1.03 0.70 0.00 0.00 175.22 177.46 2otr s ARG 57 N 1.32 0.65 0.18 0.44 3.00 -1.09 -2.74 118.95 120.71 2otr s ARG 57 Ca 0.20 -0.73 0.10 0.00 0.00 0.00 0.00 55.73 55.31 2otr s ARG 57 Cb -0.15 0.26 -0.04 0.00 0.00 0.00 0.00 34.95 35.02 2otr s ARG 57 CO 0.08 -0.18 -0.22 -2.00 0.00 0.00 0.00 175.30 172.99 2otr s GLU 58 N -2.70 1.44 0.00 3.54 2.12 -1.17 -1.20 118.70 120.73 2otr s GLU 58 Ca -0.04 -1.49 0.00 0.00 0.36 0.00 0.00 54.97 53.80 2otr s GLU 58 Cb -0.01 -1.67 0.00 0.00 0.26 0.00 0.00 34.13 32.71 2otr s GLU 58 CO -0.05 0.36 0.00 0.00 -0.54 0.00 0.00 175.26 175.03 2otr s HIS 60 N -4.01 0.33 -0.00 0.00 3.76 -1.26 -0.45 115.29 113.65 2otr s HIS 60 Ca 0.00 -0.36 -0.09 0.00 -0.15 0.00 0.00 55.06 54.45 2otr s HIS 60 Cb 0.00 -0.73 -0.31 0.00 1.11 0.00 0.00 32.58 32.65 2otr s HIS 60 CO 0.00 -0.50 0.85 1.37 -0.85 0.00 0.00 174.74 175.61 2otr h LEU 61 N 8.39 0.60-10.10 0.89 8.10 -1.83 -3.38 115.31 117.97 2otr h LEU 61 Ca -0.15 -0.77 -0.51 0.00 0.11 0.00 0.00 57.88 56.56 2otr h LEU 61 Cb 1.14 -0.19 -0.04 0.00 -0.44 0.00 0.00 40.66 41.13 2otr h LEU 61 CO 0.29 1.63 -0.41 -0.54 -4.11 0.00 0.00 178.44 175.30 2otr s LYS 62 N -2.60 2.49 0.00 0.17 1.02 -1.25 -4.89 119.74 114.68 2otr s LYS 62 Ca -0.11 -1.57 0.13 0.00 0.02 0.00 0.00 55.97 54.44 2otr s LYS 62 Cb 0.06 -2.31 0.56 0.00 -0.52 0.00 0.00 37.83 35.62 2otr s LYS 62 CO 0.88 -0.14 1.40 -0.35 -0.92 0.00 0.00 175.35 176.22 2otr n PRO 63 N -1.47 0.03 -2.69 -1.68 -0.04 -1.26 -3.44 135.00 124.45 2otr n PRO 63 Ca 0.02 0.26 -0.08 0.00 -0.04 0.00 0.00 63.50 63.67 2otr n PRO 63 Cb 0.62 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.47 -0.32 -3.63 3.54 2.03 -1.26 -5.10 116.55 110.34 2otr n ASP 64 Ca 0.04 -2.55 -0.14 0.00 0.52 0.00 0.00 54.79 52.65 2otr n ASP 64 Cb 0.14 0.29 -0.07 0.00 -0.72 0.00 0.00 41.12 40.76 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2otr s LEU 65 N -3.21 -0.65 0.00 -2.67 1.02 -1.22 -4.69 118.68 107.26 2otr s LEU 65 Ca 0.24 1.35 0.07 0.00 0.02 0.00 0.00 54.13 55.81 2otr s LEU 65 Cb 0.43 2.39 0.07 0.00 0.02 0.00 0.00 46.19 49.10 2otr s LEU 65 CO -0.03 -0.27 0.59 0.18 0.02 0.00 0.00 176.35 176.84 2otr n LEU 66 N 2.59 0.00 -3.15 1.79 4.32 0.30 -3.45 117.00 119.40 2otr n LEU 66 Ca -0.14 -2.04 0.05 0.00 -0.02 0.00 0.00 56.01 53.86 2otr n LEU 66 Cb 0.55 -0.29 -0.00 0.00 -1.62 0.00 0.00 43.42 42.06 2otr n LEU 66 CO 0.05 -0.65 0.41 -0.22 -1.22 0.00 0.00 177.39 175.76 2otr s LEU 67 N 0.00 -0.79 -0.17 2.23 0.20 0.41 -3.38 118.68 117.18 2otr s LEU 67 Ca 0.45 0.19 -0.20 0.00 0.69 0.00 0.00 54.13 55.25 2otr s LEU 67 Cb -0.04 1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 47.23 2otr s LEU 67 CO 0.28 -0.14 0.58 -0.69 -0.29 0.00 0.00 176.35 176.09 2otr s VAL 68 N 2.92 5.08 0.13 1.68 1.01 -0.78 -1.19 120.40 129.24 2otr s VAL 68 Ca 0.17 1.11 -0.06 0.00 0.00 0.00 0.00 61.98 63.20 2otr s VAL 68 Cb -0.06 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2otr s VAL 68 CO -0.21 0.18 0.18 -0.72 0.00 0.00 0.00 175.10 174.53 2otr s TYR 69 N 1.50 0.44 -0.12 5.22 -0.85 -0.34 0.14 117.35 123.34 2otr s TYR 69 Ca 0.28 -0.84 -0.04 0.00 -0.52 0.00 0.00 57.07 55.94 2otr s TYR 69 Cb -0.16 -0.18 0.06 0.00 0.38 0.00 0.00 41.96 42.06 2otr s TYR 69 CO 0.11 -0.60 0.22 -1.14 -1.52 0.00 0.00 175.55 172.62 2otr s GLN 70 N -3.95 0.10 0.27 -3.49 0.74 0.10 -2.65 119.66 110.78 2otr s GLN 70 Ca 0.14 0.64 -0.19 0.00 0.05 0.00 0.00 55.36 56.00 2otr s GLN 70 Cb 0.05 -0.21 -0.09 0.00 1.10 0.00 0.00 33.01 33.86 2otr s GLN 70 CO -0.04 -0.32 0.75 0.42 -0.55 0.00 0.00 175.29 175.56 2otr s ILE 71 N 2.36 4.57 -0.34 -2.34 1.09 -1.26 -2.61 121.20 122.67 2otr s ILE 71 Ca 0.02 1.23 0.00 0.00 -1.10 0.00 0.00 60.65 60.81 2otr s ILE 71 Cb -0.12 -3.79 0.09 0.00 -1.06 0.00 0.00 42.46 37.58 2otr s ILE 71 CO -0.08 0.07 0.07 -1.59 -0.10 0.00 0.00 174.94 173.31 2otr s LYS 72 N -2.32 1.97 0.64 2.79 0.00 -0.59 -4.96 119.74 117.28 2otr s LYS 72 Ca 0.48 -1.64 0.35 0.00 0.00 0.00 0.00 55.97 55.15 2otr s LYS 72 Cb -0.15 -3.28 1.91 0.00 0.00 0.00 0.00 37.83 36.32 2otr s LYS 72 CO 0.20 -0.86 2.13 0.87 0.00 0.00 0.00 175.35 177.70 2otr h LYS 73 N 7.86 0.00 -1.09 1.78 1.79 -1.96 0.51 116.57 125.47 2otr h LYS 73 Ca -0.13 0.00 0.30 0.00 -2.18 0.00 0.00 60.65 58.64 2otr h LYS 73 Cb 1.04 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.59 2otr h LYS 73 CO 0.57 0.00 0.70 0.37 -1.08 0.00 0.00 179.45 180.01 2otr h GLN 74 N 0.00 0.33 0.00 3.15 5.75 -1.97 -3.10 115.11 119.27 2otr h GLN 74 Ca 0.03 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2otr h GLN 74 Cb 0.39 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2otr h GLN 74 CO -0.00 0.22 -0.33 -0.85 -2.65 0.00 0.00 178.83 175.21 2otr n GLU 75 N -4.67 0.00 -3.38 1.69 0.28 -0.86 -5.06 120.64 108.64 2otr n GLU 75 Ca 0.28 -0.68 -0.18 0.00 -0.16 0.00 0.00 57.16 56.42 2otr n GLU 75 Cb 0.98 -0.24 0.01 0.00 1.43 0.00 0.00 31.44 33.62 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 0.03 -6.30 -4.11 -1.84 4.13 0.12 -4.82 115.26 102.47 2otr n ASN 76 Ca -0.01 -0.32 -0.17 0.00 1.68 0.00 0.00 54.58 55.76 2otr n ASN 76 Cb 0.65 -3.28 -0.13 0.00 -1.54 0.00 0.00 39.78 35.49 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 -2.63 0.88 -0.70 3.41 2.01 -1.12 -2.85 115.64 114.64 2otr s THR 77 Ca 0.12 -1.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 2otr s THR 77 Cb -0.02 -0.85 0.18 0.00 0.01 0.00 0.00 72.50 71.83 2otr s THR 77 CO 0.83 -0.15 0.60 -0.22 -0.69 0.00 0.00 174.62 174.99 2otr s LEU 78 N -1.31 6.10 -0.24 4.42 0.20 0.60 -1.54 118.68 126.91 2otr s LEU 78 Ca -0.02 -2.62 -0.20 0.00 0.69 0.00 0.00 54.13 51.98 2otr s LEU 78 Cb -0.08 -2.07 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 2otr s LEU 78 CO 0.01 -0.53 0.61 0.12 -0.29 0.00 0.00 176.35 176.27 2otr s PHE 79 N 0.29 3.31 1.00 5.38 5.36 -1.07 -1.83 117.98 130.42 2otr s PHE 79 Ca 0.15 0.82 -0.16 0.00 -0.96 0.00 0.00 56.93 56.79 2otr s PHE 79 Cb -0.16 -2.81 0.20 0.00 -0.34 0.00 0.00 43.02 39.91 2otr s PHE 79 CO -0.05 -0.27 1.23 -0.51 -1.46 0.00 0.00 175.22 174.16 2otr s LEU 80 N 2.29 2.10 0.13 6.12 2.01 -0.90 0.01 118.68 130.43 2otr s LEU 80 Ca 0.26 0.50 0.00 0.00 0.01 0.00 0.00 54.13 54.90 2otr s LEU 80 Cb -0.16 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.50 2otr s LEU 80 CO 0.09 -2.98 0.00 0.52 1.01 0.00 0.00 176.35 174.99 2otr n VAL 81 N -3.97 0.00 -4.54 -1.59 0.31 0.36 -4.42 118.33 104.48 2otr n VAL 81 Ca 0.13 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.21 2otr n VAL 81 Cb 0.60 -0.13 -0.11 0.00 -0.91 0.00 0.00 33.84 33.28 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 -1.37 1.80 -0.30 5.55 0.52 -0.62 -2.89 118.95 121.65 2otr s ARG 82 Ca 0.00 -2.00 -0.20 0.00 -0.52 0.00 0.00 55.73 53.01 2otr s ARG 82 Cb 0.00 -1.33 0.18 0.00 0.52 0.00 0.00 34.95 34.33 2otr s ARG 82 CO 0.00 -0.07 1.26 -1.17 0.02 0.00 0.00 175.30 175.34 2otr s LEU 83 N -3.60 -0.17 0.00 2.53 0.20 -1.26 -1.87 118.68 114.52 2otr s LEU 83 Ca 0.35 0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.46 2otr s LEU 83 Cb 0.08 1.28 0.00 0.00 -0.43 0.00 0.00 46.19 47.12 2otr s LEU 83 CO 0.16 -0.05 0.00 0.61 -0.29 0.00 0.00 176.35 176.79 2otr n GLY 84 N 2.55 0.32 3.38 7.98 0.00 -1.22 -4.55 105.19 113.65 2otr n GLY 84 Ca -0.14 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 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 1.88 0.06 1.61 0.01 -1.26 -0.54 113.70 111.46 2otr s SER 85 Ca 0.00 -1.60 0.02 0.00 1.31 0.00 0.00 55.95 55.68 2otr s SER 85 Cb 0.00 0.41 -0.25 0.00 0.21 0.00 0.00 66.02 66.40 2otr s SER 85 CO 0.00 -0.91 1.08 -0.74 0.41 0.00 0.00 173.24 173.08 2otr h HIS 86 N 2.10 0.23 0.05 2.43 2.76 -1.99 -2.93 115.15 117.81 2otr h HIS 86 Ca -0.33 -0.17 -0.23 0.00 -2.20 0.00 0.00 60.37 57.44 2otr h HIS 86 Cb 1.25 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 2otr h HIS 86 CO 1.20 1.16 -1.05 0.77 -1.30 0.00 0.00 177.93 178.71 2otr h SER 87 N 0.03 0.26 0.43 3.26 0.02 -1.97 -1.95 113.55 113.63 2otr h SER 87 Ca -0.12 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 2otr h SER 87 Cb 1.91 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2otr h SER 87 CO 0.15 1.14 -0.21 -0.33 -1.14 0.00 0.00 176.83 176.45 2otr h GLU 88 N 0.07 -0.56 -0.36 3.45 5.08 -1.98 -3.26 114.58 117.01 2otr h GLU 88 Ca -0.07 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2otr h GLU 88 Cb 1.76 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 2otr h GLU 88 CO 0.16 -0.31 0.05 -0.07 -1.00 0.00 0.00 179.01 177.85 2otr h LEU 89 N -1.10 0.50 -0.26 1.33 -0.00 -1.66 -3.49 115.31 110.64 2otr h LEU 89 Ca -0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2otr h LEU 89 Cb 0.51 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2otr h LEU 89 CO 0.10 0.54 0.00 0.49 -0.00 0.00 0.00 178.44 179.56