#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 1.41 0.00 -0.89 1.02 -1.26 -4.90 118.68 114.06 2otr s LEU 2 Ca 0.00 -0.12 -0.21 0.00 0.02 0.00 0.00 54.13 53.83 2otr s LEU 2 Cb 0.00 0.78 0.32 0.00 0.02 0.00 0.00 46.19 47.31 2otr s LEU 2 CO 0.00 -0.36 0.86 0.41 0.02 0.00 0.00 176.35 177.28 2otr n THR 3 N 1.52 0.00 -3.83 5.49 -1.04 -1.09 -4.54 114.28 110.79 2otr n THR 3 Ca -0.22 -0.17 -0.27 0.00 -2.04 0.00 0.00 64.05 61.35 2otr n THR 3 Cb 0.56 -1.01 -0.17 0.00 -1.82 0.00 0.00 70.33 67.89 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 -2.29 0.85 0.39 12.58 1.09 -1.26 0.17 121.20 132.72 2otr s ILE 4 Ca 0.62 -0.50 0.08 0.00 -1.10 0.00 0.00 60.65 59.74 2otr s ILE 4 Cb -0.09 -1.11 -0.02 0.00 -1.06 0.00 0.00 42.46 40.18 2otr s ILE 4 CO 0.50 0.06 0.35 -1.61 -0.10 0.00 0.00 174.94 174.14 2otr s GLU 5 N 1.74 2.60 0.03 2.79 0.41 0.08 -4.95 118.70 121.39 2otr s GLU 5 Ca 0.01 -1.46 0.01 0.00 -0.41 0.00 0.00 54.97 53.13 2otr s GLU 5 Cb -0.15 -2.41 -0.02 0.00 -1.78 0.00 0.00 34.13 29.76 2otr s GLU 5 CO -0.07 -0.10 -0.06 0.95 -0.49 0.00 0.00 175.26 175.49 2otr s THR 6 N -2.42 0.39 0.00 3.63 -4.23 -1.26 -2.66 115.64 109.09 2otr s THR 6 Ca 0.46 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2otr s THR 6 Cb -0.04 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.33 2otr s THR 6 CO 0.27 -0.37 0.00 -0.24 -0.54 0.00 0.00 174.62 173.75 2otr n SER 7 N 1.66 0.35 -0.05 3.99 2.88 -1.26 -4.94 113.62 116.25 2otr n SER 7 Ca -0.22 -0.79 -0.19 0.00 -1.33 0.00 0.00 58.87 56.33 2otr n SER 7 Cb 0.55 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.09 0.00 -1.46 1.57 -1.95 -3.36 116.57 111.46 2otr h LYS 8 Ca 0.00 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 2otr h LYS 8 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2otr h LYS 8 CO 0.00 1.08 -0.42 0.87 -0.57 0.00 0.00 179.45 180.40 2otr h LYS 9 N -0.75 0.00 -0.36 3.15 1.57 -1.98 -2.94 116.57 115.26 2otr h LYS 9 Ca -0.21 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2otr h LYS 9 Cb 1.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 2otr h LYS 9 CO -0.04 0.42 0.26 0.35 -0.57 0.00 0.00 179.45 179.87 2otr h PHE 10 N 0.00 0.10 -0.01 -1.35 3.57 -1.68 0.16 116.94 117.74 2otr h PHE 10 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2otr h PHE 10 Cb 0.85 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.56 2otr h PHE 10 CO 0.00 0.05 -0.32 -0.44 -2.23 0.00 0.00 178.31 175.37 2otr h ASP 11 N 0.10 0.30 0.62 0.41 3.32 -1.66 -2.28 116.42 117.23 2otr h ASP 11 Ca 0.17 -0.75 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 2otr h ASP 11 Cb 0.54 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2otr h ASP 11 CO -0.02 1.01 -0.07 0.11 -1.72 0.00 0.00 179.24 178.56 2otr h LYS 12 N -0.39 0.00 0.00 3.56 1.57 -1.45 -1.77 116.57 118.09 2otr h LYS 12 Ca -0.04 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 2otr h LYS 12 Cb 1.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 2otr h LYS 12 CO 0.06 0.07 -1.33 -0.44 -0.57 0.00 0.00 179.45 177.24 2otr h ASP 13 N 0.00 0.00 0.60 0.86 3.32 -0.99 -3.35 116.42 116.85 2otr h ASP 13 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2otr h ASP 13 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2otr h ASP 13 CO 0.01 0.87 -1.18 0.25 -1.72 0.00 0.00 179.24 177.46 2otr h LEU 14 N 0.00 0.43 -2.29 1.55 7.12 -0.96 -3.23 115.31 117.93 2otr h LEU 14 Ca -0.15 -0.44 0.04 0.00 0.13 0.00 0.00 57.88 57.46 2otr h LEU 14 Cb 1.80 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.78 2otr h LEU 14 CO 0.09 1.32 0.19 0.07 -0.13 0.00 0.00 178.44 179.98 2otr h LYS 15 N 0.10 0.00 0.11 1.25 2.10 -1.47 0.28 116.57 118.93 2otr h LYS 15 Ca -0.12 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.38 2otr h LYS 15 Cb 1.90 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.24 2otr h LYS 15 CO 0.19 0.00 -0.65 0.82 -2.00 0.00 0.00 179.45 177.82 2otr h ILE 16 N 0.00 1.56 -0.11 0.07 1.08 -1.71 -3.20 117.51 115.19 2otr h ILE 16 Ca 0.07 -2.49 -0.12 0.00 -0.39 0.00 0.00 64.86 61.94 2otr h ILE 16 Cb 0.45 3.22 0.00 0.00 -3.07 0.00 0.00 36.82 37.43 2otr h ILE 16 CO -0.00 0.69 -0.38 -0.07 -0.69 0.00 0.00 178.15 177.69 2otr h LEU 17 N -0.53 0.54 -2.00 1.44 4.07 -1.43 -2.32 115.31 115.08 2otr h LEU 17 Ca -0.12 -0.61 0.10 0.00 0.08 0.00 0.00 57.88 57.34 2otr h LEU 17 Cb 1.49 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 2otr h LEU 17 CO 0.11 1.05 0.26 1.62 -1.08 0.00 0.00 178.44 180.40 2otr h VAL 18 N 0.05 0.82 0.23 1.22 3.04 -0.63 0.26 116.25 121.23 2otr h VAL 18 Ca -0.02 -0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.33 2otr h VAL 18 Cb 1.01 0.82 0.03 0.00 -2.01 0.00 0.00 31.29 31.14 2otr h VAL 18 CO 0.08 0.00 -1.57 0.50 -1.01 0.00 0.00 177.57 175.57 2otr h LYS 19 N 0.00 0.48 0.35 4.17 1.63 -1.53 -3.38 116.57 118.30 2otr h LYS 19 Ca 0.17 -0.82 -0.02 0.00 -0.85 0.00 0.00 60.65 59.13 2otr h LYS 19 Cb 0.69 0.31 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2otr h LYS 19 CO -0.00 1.39 -0.17 -0.91 -3.45 0.00 0.00 179.45 176.31 2otr h ASN 20 N 0.11 -0.40 -0.03 4.20 2.35 -0.73 -3.47 115.58 117.61 2otr h ASN 20 Ca -0.29 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2otr h ASN 20 Cb 2.13 0.10 -0.14 0.00 0.05 0.00 0.00 38.32 40.46 2otr h ASN 20 CO 0.23 -0.09 -0.03 0.61 -1.65 0.00 0.00 177.43 176.50 2otr n GLY 21 N 0.27 -1.92 3.36 2.83 0.00 0.82 -5.09 105.19 105.45 2otr n GLY 21 Ca -0.06 1.28 -0.12 0.00 0.00 0.00 0.00 46.02 47.12 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 0.55 -0.56 -0.23 1.61 5.36 -0.84 -4.90 117.98 118.97 2otr s PHE 22 Ca 0.24 1.30 -0.04 0.00 -0.96 0.00 0.00 56.93 57.47 2otr s PHE 22 Cb 0.17 0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 43.06 2otr s PHE 22 CO -0.09 -0.28 -0.02 0.34 -1.46 0.00 0.00 175.22 173.71 2otr s ASP 23 N 0.55 4.44 0.62 6.13 2.15 -1.26 -4.31 116.67 124.98 2otr s ASP 23 Ca -0.02 -0.41 0.31 0.00 0.43 0.00 0.00 52.55 52.85 2otr s ASP 23 Cb -0.04 -1.76 1.71 0.00 -0.30 0.00 0.00 42.92 42.52 2otr s ASP 23 CO -0.03 -0.04 2.05 0.17 -0.17 0.00 0.00 175.17 177.15 2otr h LEU 24 N 8.13 0.00 -0.02 -1.34 -0.00 -2.00 -1.88 115.31 118.20 2otr h LEU 24 Ca -0.40 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.48 2otr h LEU 24 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 2otr h LEU 24 CO 0.60 0.00 -0.02 0.50 -0.00 0.00 0.00 178.44 179.52 2otr h LYS 25 N 0.00 -0.03 -0.18 0.17 3.64 -2.02 -1.96 116.57 116.19 2otr h LYS 25 Ca 0.08 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2otr h LYS 25 Cb 0.60 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2otr h LYS 25 CO -0.00 -0.02 0.15 1.37 -2.27 0.00 0.00 179.45 178.68 2otr h LEU 26 N -0.03 0.00 -1.76 5.20 8.10 -1.77 0.17 115.31 125.21 2otr h LEU 26 Ca 0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.97 2otr h LEU 26 Cb 0.05 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.27 2otr h LEU 26 CO -0.04 0.00 -0.16 0.25 -4.11 0.00 0.00 178.44 174.38 2otr h LEU 27 N 0.00 0.00 0.00 0.17 6.46 -1.40 0.69 115.31 121.22 2otr h LEU 27 Ca 0.09 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.67 2otr h LEU 27 Cb 0.38 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 2otr h LEU 27 CO -0.00 0.16 -0.84 1.88 -0.62 0.00 0.00 178.44 179.02 2otr h TYR 28 N 0.00 0.00 0.00 1.25 0.05 -0.91 -3.02 116.97 114.34 2otr h TYR 28 Ca -0.00 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.53 2otr h TYR 28 Cb 0.37 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 2otr h TYR 28 CO 0.00 0.81 -1.47 -0.22 -1.05 0.00 0.00 178.16 176.23 2otr h LYS 29 N 0.00 0.00 0.00 4.88 3.64 -1.33 -3.33 116.57 120.43 2otr h LYS 29 Ca -0.02 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 2otr h LYS 29 Cb 1.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 2otr h LYS 29 CO 0.10 0.58 -0.44 -0.24 -2.27 0.00 0.00 179.45 177.19 2otr h VAL 30 N 0.00 0.89 -1.20 2.00 3.04 -0.97 -3.23 116.25 116.79 2otr h VAL 30 Ca -0.20 -1.83 0.34 0.00 -1.01 0.00 0.00 66.70 64.00 2otr h VAL 30 Cb 1.89 2.14 -0.07 0.00 -2.01 0.00 0.00 31.29 33.23 2otr h VAL 30 CO 0.09 0.43 0.82 1.62 -1.01 0.00 0.00 177.57 179.52 2otr h VAL 31 N 0.00 0.39 0.00 1.51 3.04 -1.64 0.88 116.25 120.43 2otr h VAL 31 Ca -0.00 -0.05 -0.06 0.00 -1.01 0.00 0.00 66.70 65.57 2otr h VAL 31 Cb 1.10 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 2otr h VAL 31 CO 0.06 0.03 -0.30 1.23 -1.01 0.00 0.00 177.57 177.57 2otr h GLY 32 N 0.14 0.00 1.15 3.17 0.00 -1.80 -2.87 103.07 102.87 2otr h GLY 32 Ca 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.85 2otr h GLY 32 CO -0.15 0.00 -1.13 3.43 0.00 0.00 0.00 176.54 178.69 2otr h ASN 33 N 0.00 0.00 -0.25 0.19 4.21 0.55 -3.32 115.58 116.95 2otr h ASN 33 Ca -0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.36 2otr h ASN 33 Cb 0.70 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 2otr h ASN 33 CO 0.04 0.38 -0.36 -0.07 -1.29 0.00 0.00 177.43 176.12 2otr h LEU 34 N 0.00 0.83 -0.11 1.61 3.38 -1.08 0.86 115.31 120.80 2otr h LEU 34 Ca -0.09 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2otr h LEU 34 Cb 1.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2otr h LEU 34 CO 0.03 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.67 2otr n ALA 35 N -2.52 2.09 -0.08 1.53 0.00 -1.15 -3.84 120.51 116.54 2otr n ALA 35 Ca -0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 2otr n ALA 35 Cb 0.52 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 2otr n ALA 35 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2otr n THR 36 N -1.85 0.93 -3.17 0.00 -2.24 -1.05 -5.04 114.28 101.86 2otr n THR 36 Ca 0.05 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2otr n THR 36 Cb 0.32 -1.37 0.06 0.00 -2.10 0.00 0.00 70.33 67.24 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 -3.33 -2.09 -0.10 -0.78 1.02 0.30 -4.99 120.64 110.66 2otr n GLU 37 Ca -0.31 0.88 -0.20 0.00 -0.02 0.00 0.00 57.16 57.52 2otr n GLU 37 Cb 0.77 -5.66 -0.09 0.00 -0.02 0.00 0.00 31.44 26.44 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 -3.05 0.55 0.00 3.49 6.02 -1.26 -4.88 117.38 118.24 2otr n GLN 38 Ca -0.06 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 2otr n GLN 38 Cb 0.61 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.17 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 -4.44 0.00 0.00 -1.09 -0.04 -1.26 -5.04 135.00 123.13 2otr n PRO 39 Ca -0.30 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 2otr n PRO 39 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 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 0.00 0.00 -4.50 1.53 4.77 -1.26 -4.79 117.00 112.75 2otr n LEU 40 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2otr n LEU 40 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2otr n LEU 40 CO 0.00 -1.10 -0.42 0.00 -1.33 0.00 0.00 177.39 174.54 2otr s ALA 41 N -1.88 2.80 0.22 -1.18 0.00 -1.26 -5.01 121.76 115.45 2otr s ALA 41 Ca 0.00 -0.92 0.12 0.00 0.00 0.00 0.00 51.96 51.16 2otr s ALA 41 Cb 0.00 -1.15 0.33 0.00 0.00 0.00 0.00 23.12 22.30 2otr s ALA 41 CO 0.00 0.48 1.59 -1.00 0.00 0.00 0.00 175.76 176.83 2otr h PRO 42 N 5.66 0.00 0.00 0.00 0.13 -1.98 0.74 132.00 136.55 2otr h PRO 42 Ca -0.42 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.51 2otr h PRO 42 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2otr h PRO 42 CO 0.53 0.62 -0.91 1.57 -0.23 0.00 0.00 178.00 179.57 2otr h LYS 43 N 0.00 0.00 0.00 0.86 -0.00 -2.01 -3.37 116.57 112.04 2otr h LYS 43 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 60.65 60.37 2otr h LYS 43 Cb 1.15 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.34 2otr h LYS 43 CO 0.08 0.91 -1.78 0.66 -0.00 0.00 0.00 179.45 179.33 2otr n TYR 44 N -3.42 0.26 -1.42 0.07 4.01 -1.19 -5.11 117.16 110.35 2otr n TYR 44 Ca -0.00 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2otr n TYR 44 Cb 0.88 -0.88 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2otr n TYR 44 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2otr n LYS 45 N -4.36 -3.74 -3.76 -0.72 5.02 0.26 -4.93 118.16 105.93 2otr n LYS 45 Ca -0.37 2.90 -0.33 0.00 -2.02 0.00 0.00 58.31 58.49 2otr n LYS 45 Cb 0.71 -3.61 -0.05 0.00 -0.02 0.00 0.00 35.03 32.06 2otr n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2otr s ASP 46 N -5.10 6.47 -0.14 4.39 2.15 -1.26 -4.76 116.67 118.42 2otr s ASP 46 Ca 0.00 0.52 -0.33 0.00 0.43 0.00 0.00 52.55 53.17 2otr s ASP 46 Cb 0.00 -2.07 0.13 0.00 -0.30 0.00 0.00 42.92 40.68 2otr s ASP 46 CO 0.00 0.17 1.11 -1.38 -0.17 0.00 0.00 175.17 174.91 2otr s HIS 47 N -1.45 -0.20 1.28 -5.34 -3.43 -1.26 -5.06 115.29 99.83 2otr s HIS 47 Ca 0.33 0.13 -0.19 0.00 -0.80 0.00 0.00 55.06 54.53 2otr s HIS 47 Cb -0.13 0.52 0.29 0.00 -1.43 0.00 0.00 32.58 31.83 2otr s HIS 47 CO 0.21 -0.30 0.67 -2.30 -2.00 0.00 0.00 174.74 171.02 2otr n PRO 48 N -0.11 -3.55 -0.11 -0.38 -0.02 -1.26 -3.16 135.00 126.40 2otr n PRO 48 Ca -0.02 -1.05 -0.19 0.00 -2.02 0.00 0.00 63.50 60.22 2otr n PRO 48 Cb 0.59 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 32.20 2otr n PRO 48 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2otr n LEU 49 N -4.06 1.94 0.00 2.45 4.32 -1.13 -4.70 117.00 115.82 2otr n LEU 49 Ca 0.09 0.35 -0.13 0.00 -0.02 0.00 0.00 56.01 56.29 2otr n LEU 49 Cb 0.52 -0.79 -0.05 0.00 -1.62 0.00 0.00 43.42 41.48 2otr n LEU 49 CO 0.39 0.14 -0.07 0.29 -1.22 0.00 0.00 177.39 176.92 2otr n LYS 50 N -4.37 0.28 -0.64 3.23 5.02 -1.26 -5.12 118.16 115.30 2otr n LYS 50 Ca -0.34 -2.30 -0.01 0.00 -2.02 0.00 0.00 58.31 53.65 2otr n LYS 50 Cb 0.69 1.88 0.00 0.00 -0.02 0.00 0.00 35.03 37.59 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 -0.43 0.65 3.15 0.72 0.00 -1.26 -3.81 105.19 104.21 2otr n GLY 51 Ca 0.05 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 4.77 2.11 0.12 -0.02 0.00 -1.26 -4.05 105.19 106.86 2otr n GLY 52 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 2.27 -2.24 0.99 -0.00 -1.26 -4.99 117.00 111.77 2otr n LEU 53 Ca 0.00 -0.10 -0.17 0.00 -0.00 0.00 0.00 56.01 55.73 2otr n LEU 53 Cb 0.00 -0.55 -0.02 0.00 -0.00 0.00 0.00 43.42 42.85 2otr n LEU 53 CO 0.00 0.81 -0.21 0.29 -0.00 0.00 0.00 177.39 178.28 2otr n LYS 54 N -3.10 -1.81 -0.03 1.47 5.02 -1.25 -4.86 118.16 113.60 2otr n LYS 54 Ca -0.41 0.88 -0.21 0.00 -2.02 0.00 0.00 58.31 56.55 2otr n LYS 54 Cb 1.01 -5.46 -0.13 0.00 -0.02 0.00 0.00 35.03 30.42 2otr n LYS 54 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2otr h ASP 55 N 0.00 0.23 -4.07 4.39 5.19 -1.93 -3.47 116.42 116.76 2otr h ASP 55 Ca -0.40 -0.78 -0.55 0.00 -0.62 0.00 0.00 57.03 54.67 2otr h ASP 55 Cb 1.27 -0.08 0.15 0.00 0.18 0.00 0.00 39.33 40.85 2otr h ASP 55 CO 0.50 1.53 0.58 -0.36 -3.12 0.00 0.00 179.24 178.36 2otr s PHE 56 N -2.42 2.18 -0.28 4.55 0.08 -1.26 -4.43 117.98 116.40 2otr s PHE 56 Ca -0.22 1.41 -0.13 0.00 0.12 0.00 0.00 56.93 58.11 2otr s PHE 56 Cb 0.04 -3.77 0.10 0.00 -0.57 0.00 0.00 43.02 38.82 2otr s PHE 56 CO 0.71 -2.95 0.65 1.03 -0.10 0.00 0.00 175.22 174.55 2otr s ARG 57 N -3.10 0.62 -0.33 0.44 0.52 -0.67 -2.84 118.95 113.59 2otr s ARG 57 Ca 0.76 1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 57.24 2otr s ARG 57 Cb -0.40 0.47 0.06 0.00 0.52 0.00 0.00 34.95 35.60 2otr s ARG 57 CO 0.45 -0.18 0.07 -2.00 0.02 0.00 0.00 175.30 173.67 2otr s GLU 58 N 2.23 2.42 0.46 3.54 2.12 -1.19 -1.09 118.70 127.19 2otr s GLU 58 Ca -0.08 -1.34 0.08 0.00 0.36 0.00 0.00 54.97 53.99 2otr s GLU 58 Cb -0.09 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.96 2otr s GLU 58 CO -0.19 -0.72 0.47 0.00 -0.54 0.00 0.00 175.26 174.28 2otr s HIS 60 N -2.53 2.89 0.26 0.00 3.76 -1.26 -1.11 115.29 117.31 2otr s HIS 60 Ca 0.49 -3.03 -0.02 0.00 -0.15 0.00 0.00 55.06 52.36 2otr s HIS 60 Cb -0.04 -2.33 0.45 0.00 1.11 0.00 0.00 32.58 31.77 2otr s HIS 60 CO 0.29 -0.66 1.84 1.37 -0.85 0.00 0.00 174.74 176.74 2otr h LEU 61 N 5.81 0.89 -9.21 0.89 8.10 -1.93 -3.35 115.31 116.50 2otr h LEU 61 Ca 0.10 0.03 -0.63 0.00 0.11 0.00 0.00 57.88 57.50 2otr h LEU 61 Cb 0.83 -0.15 -0.15 0.00 -0.44 0.00 0.00 40.66 40.74 2otr h LEU 61 CO 0.63 0.52 -0.76 -0.54 -4.11 0.00 0.00 178.44 174.17 2otr s LYS 62 N -6.01 1.79 0.59 0.17 -0.14 -1.26 -4.80 119.74 110.09 2otr s LYS 62 Ca -0.12 -1.48 0.29 0.00 -1.36 0.00 0.00 55.97 53.30 2otr s LYS 62 Cb 0.21 -1.96 1.33 0.00 -1.68 0.00 0.00 37.83 35.72 2otr s LYS 62 CO 0.80 0.39 1.71 -1.35 -0.76 0.00 0.00 175.35 176.15 2otr h PRO 63 N 2.82 0.00 -2.11 -1.68 0.11 -1.99 -2.98 132.00 126.17 2otr h PRO 63 Ca -0.45 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 2otr h PRO 63 Cb 1.22 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.96 2otr h PRO 63 CO 0.53 0.00 -1.01 -3.47 -0.21 0.00 0.00 178.00 173.84 2otr n ASP 64 N -3.58 -0.35 -3.28 -2.05 2.03 -1.26 -5.06 116.55 103.00 2otr n ASP 64 Ca 0.14 -2.55 0.03 0.00 0.52 0.00 0.00 54.79 52.93 2otr n ASP 64 Cb 0.98 -0.47 -0.04 0.00 -0.72 0.00 0.00 41.12 40.87 2otr n ASP 64 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2otr s LEU 65 N -0.48 -0.32 0.28 -2.67 2.96 -1.13 -4.36 118.68 112.96 2otr s LEU 65 Ca 0.34 0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 54.58 2otr s LEU 65 Cb 0.10 1.36 -0.07 0.00 0.50 0.00 0.00 46.19 48.08 2otr s LEU 65 CO -0.16 -0.06 0.61 -0.76 -1.32 0.00 0.00 176.35 174.66 2otr s LEU 66 N 2.27 4.08 -0.31 -0.68 1.02 0.24 -3.79 118.68 121.51 2otr s LEU 66 Ca -0.01 0.94 -0.01 0.00 0.02 0.00 0.00 54.13 55.08 2otr s LEU 66 Cb -0.04 -3.74 0.13 0.00 0.02 0.00 0.00 46.19 42.56 2otr s LEU 66 CO -0.17 -0.17 0.27 -0.22 0.02 0.00 0.00 176.35 176.09 2otr s LEU 67 N -3.17 0.04 -0.23 1.79 0.20 -0.27 -2.68 118.68 114.36 2otr s LEU 67 Ca 0.48 -1.12 -0.18 0.00 0.69 0.00 0.00 54.13 54.00 2otr s LEU 67 Cb -0.11 0.27 -0.03 0.00 -0.43 0.00 0.00 46.19 45.89 2otr s LEU 67 CO 0.24 -0.37 0.50 -0.69 -0.29 0.00 0.00 176.35 175.74 2otr s VAL 68 N 2.05 5.10 0.10 1.68 1.01 -1.16 -1.42 120.40 127.76 2otr s VAL 68 Ca 0.11 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 2otr s VAL 68 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2otr s VAL 68 CO -0.26 0.14 0.03 -0.72 0.00 0.00 0.00 175.10 174.28 2otr s TYR 69 N 1.96 0.69 -0.22 5.22 -0.85 -0.25 0.15 117.35 124.05 2otr s TYR 69 Ca 0.22 -1.14 -0.04 0.00 -0.52 0.00 0.00 57.07 55.59 2otr s TYR 69 Cb -0.15 -0.42 0.09 0.00 0.38 0.00 0.00 41.96 41.86 2otr s TYR 69 CO 0.09 -0.47 0.20 -1.14 -1.52 0.00 0.00 175.55 172.72 2otr s GLN 70 N -3.99 0.19 0.02 -3.49 -0.44 0.11 -1.67 119.66 110.40 2otr s GLN 70 Ca 0.16 0.07 -0.25 0.00 -2.50 0.00 0.00 55.36 52.84 2otr s GLN 70 Cb 0.08 -1.23 -0.05 0.00 -1.64 0.00 0.00 33.01 30.16 2otr s GLN 70 CO -0.04 -0.73 0.76 0.42 0.50 0.00 0.00 175.29 176.21 2otr s ILE 71 N 2.29 4.79 -0.49 -2.34 1.09 -1.26 -2.67 121.20 122.61 2otr s ILE 71 Ca 0.07 1.61 -0.12 0.00 -1.10 0.00 0.00 60.65 61.11 2otr s ILE 71 Cb -0.16 -4.11 0.12 0.00 -1.06 0.00 0.00 42.46 37.25 2otr s ILE 71 CO -0.16 0.34 0.39 -1.59 -0.10 0.00 0.00 174.94 173.82 2otr s LYS 72 N 0.12 2.67 0.64 2.79 0.00 -0.61 -4.92 119.74 120.44 2otr s LYS 72 Ca 0.39 -1.70 0.38 0.00 0.00 0.00 0.00 55.97 55.03 2otr s LYS 72 Cb -0.20 -4.04 2.11 0.00 0.00 0.00 0.00 37.83 35.70 2otr s LYS 72 CO 0.22 -1.21 2.26 0.87 0.00 0.00 0.00 175.35 177.49 2otr h LYS 73 N 8.60 0.00 -0.49 1.78 1.57 -1.95 0.29 116.57 126.36 2otr h LYS 73 Ca -0.24 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.68 2otr h LYS 73 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2otr h LYS 73 CO 0.91 0.00 0.36 -0.56 -0.57 0.00 0.00 179.45 179.59 2otr h GLN 74 N 0.00 0.00 0.00 3.15 3.07 -1.98 -3.11 115.11 116.25 2otr h GLN 74 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 2otr h GLN 74 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 2otr h GLN 74 CO -0.00 0.00 -0.24 -0.85 0.09 0.00 0.00 178.83 177.83 2otr n GLU 75 N -4.37 0.00 -3.49 0.06 0.28 -0.67 -5.06 120.64 107.39 2otr n GLU 75 Ca 0.09 -0.63 -0.19 0.00 -0.16 0.00 0.00 57.16 56.27 2otr n GLU 75 Cb 0.57 -0.39 0.01 0.00 1.43 0.00 0.00 31.44 33.06 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 -5.94 -4.01 -1.84 3.02 0.92 -4.83 115.26 102.59 2otr n ASN 76 Ca 0.00 -0.51 -0.16 0.00 -0.03 0.00 0.00 54.58 53.87 2otr n ASN 76 Cb 0.60 -2.89 -0.14 0.00 -0.61 0.00 0.00 39.78 36.74 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 -2.75 0.56 -0.74 3.41 2.01 -1.11 -2.69 115.64 114.33 2otr s THR 77 Ca 0.07 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 2otr s THR 77 Cb -0.01 -0.51 0.19 0.00 0.01 0.00 0.00 72.50 72.18 2otr s THR 77 CO 0.85 0.02 0.70 -0.22 -0.69 0.00 0.00 174.62 175.28 2otr s LEU 78 N -0.52 6.53 -0.48 4.42 0.20 0.13 -1.57 118.68 127.39 2otr s LEU 78 Ca -0.00 -2.39 -0.20 0.00 0.69 0.00 0.00 54.13 52.22 2otr s LEU 78 Cb -0.04 -2.22 0.04 0.00 -0.43 0.00 0.00 46.19 43.54 2otr s LEU 78 CO 0.00 -0.68 0.67 0.12 -0.29 0.00 0.00 176.35 176.17 2otr s PHE 79 N 0.69 3.02 1.30 5.38 5.36 -1.09 -0.74 117.98 131.90 2otr s PHE 79 Ca 0.14 -0.26 -0.22 0.00 -0.96 0.00 0.00 56.93 55.63 2otr s PHE 79 Cb -0.16 -3.51 0.33 0.00 -0.34 0.00 0.00 43.02 39.34 2otr s PHE 79 CO -0.05 -1.00 1.04 1.28 -1.46 0.00 0.00 175.22 175.03 2otr n LEU 80 N 6.37 0.00 0.15 6.12 4.77 -1.09 0.07 117.00 133.39 2otr n LEU 80 Ca -0.03 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 2otr n LEU 80 Cb 0.47 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2otr n LEU 80 CO 0.55 -2.36 0.00 0.52 -1.33 0.00 0.00 177.39 174.77 2otr n VAL 81 N -5.14 0.00 -4.47 4.08 0.31 0.41 -4.32 118.33 109.19 2otr n VAL 81 Ca 0.15 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.23 2otr n VAL 81 Cb 0.59 -0.14 -0.10 0.00 -0.91 0.00 0.00 33.84 33.28 2otr n VAL 81 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2otr s ARG 82 N -2.00 1.87 -0.30 5.55 3.52 -0.22 -3.07 118.95 124.30 2otr s ARG 82 Ca 0.00 -1.84 -0.14 0.00 -0.13 0.00 0.00 55.73 53.62 2otr s ARG 82 Cb 0.00 -1.79 0.18 0.00 -1.56 0.00 0.00 34.95 31.78 2otr s ARG 82 CO 0.00 0.19 1.13 -1.17 -0.81 0.00 0.00 175.30 174.63 2otr s LEU 83 N -3.62 -0.21 -0.08 -0.88 1.98 -1.24 -2.96 118.68 111.67 2otr s LEU 83 Ca 0.32 0.03 -0.32 0.00 -2.89 0.00 0.00 54.13 51.28 2otr s LEU 83 Cb 0.00 1.14 0.14 0.00 0.66 0.00 0.00 46.19 48.13 2otr s LEU 83 CO 0.17 -0.04 1.38 -0.83 -1.89 0.00 0.00 176.35 175.14 2otr s GLY 84 N 2.98 -0.46 0.12 7.98 0.00 -1.09 -4.03 107.32 112.82 2otr s GLY 84 Ca 0.27 0.92 -0.06 0.00 0.00 0.00 0.00 44.72 45.85 2otr s GLY 84 CO -0.21 0.18 0.37 -1.35 0.00 0.00 0.00 173.10 172.09 2otr s SER 85 N -2.94 6.51 0.33 1.64 1.04 -1.26 0.80 113.70 119.82 2otr s SER 85 Ca 0.14 0.62 0.10 0.00 0.48 0.00 0.00 55.95 57.29 2otr s SER 85 Cb 0.06 -2.10 0.57 0.00 0.10 0.00 0.00 66.02 64.65 2otr s SER 85 CO -0.06 0.09 1.75 -0.74 0.98 0.00 0.00 173.24 175.26 2otr h HIS 86 N 3.05 0.11 -0.36 5.02 2.76 -1.96 -0.35 115.15 123.43 2otr h HIS 86 Ca -0.47 -0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 57.51 2otr h HIS 86 Cb 1.17 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.10 2otr h HIS 86 CO 0.63 0.50 -0.42 1.03 -1.30 0.00 0.00 177.93 178.37 2otr h SER 87 N 0.08 0.97 0.15 3.26 0.87 -1.92 0.24 113.55 117.21 2otr h SER 87 Ca 0.01 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 2otr h SER 87 Cb 0.77 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2otr h SER 87 CO 0.06 1.26 -0.07 -0.33 -0.53 0.00 0.00 176.83 177.21 2otr h GLU 88 N 0.73 -0.20 0.82 2.24 4.39 -1.94 -3.37 114.58 117.26 2otr h GLU 88 Ca 0.05 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 2otr h GLU 88 Cb 1.01 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2otr h GLU 88 CO 0.10 -0.05 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.42 2otr h LEU 89 N -1.04 -0.97 -0.09 1.33 4.07 -1.18 -3.50 115.31 113.94 2otr h LEU 89 Ca -0.02 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2otr h LEU 89 Cb 0.24 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2otr h LEU 89 CO 0.03 -0.68 0.00 0.33 -1.08 0.00 0.00 178.44 177.04