#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 4.35 0.00 -0.89 1.02 -1.26 -4.95 118.68 116.96 2otr s LEU 2 Ca 0.00 0.44 -0.18 0.00 0.02 0.00 0.00 54.13 54.40 2otr s LEU 2 Cb 0.00 -2.80 0.28 0.00 0.02 0.00 0.00 46.19 43.70 2otr s LEU 2 CO 0.00 0.21 0.66 0.41 0.02 0.00 0.00 176.35 177.65 2otr n THR 3 N 0.75 0.00 -3.85 5.49 -1.04 -1.16 -4.50 114.28 109.97 2otr n THR 3 Ca -0.09 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.60 2otr n THR 3 Cb 0.52 -0.77 -0.16 0.00 -1.82 0.00 0.00 70.33 68.11 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 -1.87 1.21 0.26 12.58 1.09 -1.26 -1.11 121.20 132.10 2otr s ILE 4 Ca 0.51 -1.24 0.06 0.00 -1.10 0.00 0.00 60.65 58.88 2otr s ILE 4 Cb -0.09 -1.69 -0.03 0.00 -1.06 0.00 0.00 42.46 39.60 2otr s ILE 4 CO 0.42 -0.33 0.29 -1.61 -0.10 0.00 0.00 174.94 173.61 2otr s GLU 5 N 1.50 3.12 0.03 2.79 0.41 -0.48 -4.98 118.70 121.09 2otr s GLU 5 Ca 0.01 -0.96 0.00 0.00 -0.41 0.00 0.00 54.97 53.62 2otr s GLU 5 Cb -0.18 -2.71 -0.02 0.00 -1.78 0.00 0.00 34.13 29.44 2otr s GLU 5 CO -0.12 0.35 -0.04 0.95 -0.49 0.00 0.00 175.26 175.91 2otr s THR 6 N -2.09 0.21 0.00 3.63 -4.23 -1.26 -2.43 115.64 109.47 2otr s THR 6 Ca 0.35 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 2otr s THR 6 Cb -0.08 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.25 2otr s THR 6 CO 0.27 -0.55 0.00 -1.54 -0.54 0.00 0.00 174.62 172.26 2otr n SER 7 N 1.35 0.93 0.04 3.99 3.41 -1.26 -4.98 113.62 117.10 2otr n SER 7 Ca -0.22 -0.86 -0.03 0.00 -0.26 0.00 0.00 58.87 57.50 2otr n SER 7 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.20 -0.35 4.33 1.57 -1.98 -3.07 116.57 116.88 2otr h LYS 8 Ca 0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2otr h LYS 8 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2otr h LYS 8 CO 0.00 -0.13 0.23 0.87 -0.57 0.00 0.00 179.45 179.85 2otr h LYS 9 N -1.05 0.44 0.32 3.15 1.57 -1.98 -2.54 116.57 116.49 2otr h LYS 9 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2otr h LYS 9 Cb 0.16 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2otr h LYS 9 CO 0.03 0.29 -0.18 0.35 -0.57 0.00 0.00 179.45 179.38 2otr h PHE 10 N 0.46 -0.46 0.00 -1.35 3.57 -1.66 -0.62 116.94 116.87 2otr h PHE 10 Ca 0.13 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2otr h PHE 10 Cb -0.04 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2otr h PHE 10 CO -0.00 -0.28 -0.02 0.22 -2.23 0.00 0.00 178.31 176.00 2otr h ASP 11 N -0.47 0.00 0.57 0.41 1.82 -1.38 0.18 116.42 117.55 2otr h ASP 11 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2otr h ASP 11 Cb 0.37 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2otr h ASP 11 CO 0.05 0.02 -0.12 0.29 -1.61 0.00 0.00 179.24 177.87 2otr n LYS 12 N -4.51 0.38 -0.02 0.28 5.02 -0.88 -3.07 118.16 115.35 2otr n LYS 12 Ca -0.03 -0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.08 2otr n LYS 12 Cb 0.10 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 2otr n LYS 12 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2otr h ASP 13 N 0.25 0.00 0.29 4.39 3.58 0.61 -3.35 116.42 122.19 2otr h ASP 13 Ca 0.00 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.12 2otr h ASP 13 Cb 0.40 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.46 2otr h ASP 13 CO 0.00 0.98 -1.65 0.17 -2.88 0.00 0.00 179.24 175.86 2otr h LEU 14 N 0.00 0.56 -2.69 2.28 8.10 -1.57 -3.23 115.31 118.76 2otr h LEU 14 Ca -0.27 -0.79 0.01 0.00 0.11 0.00 0.00 57.88 56.94 2otr h LEU 14 Cb 1.99 -0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 42.02 2otr h LEU 14 CO 0.08 1.66 0.04 0.07 -4.11 0.00 0.00 178.44 176.18 2otr h LYS 15 N 0.10 0.00 0.00 0.17 2.10 -1.72 0.07 116.57 117.29 2otr h LYS 15 Ca -0.30 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.09 2otr h LYS 15 Cb 2.08 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.36 2otr h LYS 15 CO 0.18 0.00 -1.57 0.82 -2.00 0.00 0.00 179.45 176.88 2otr h ILE 16 N 0.00 0.88 0.07 0.07 1.08 -1.70 -3.35 117.51 114.56 2otr h ILE 16 Ca 0.01 -2.66 -0.24 0.00 -0.39 0.00 0.00 64.86 61.57 2otr h ILE 16 Cb 0.10 2.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 2otr h ILE 16 CO -0.00 0.50 -1.12 -0.07 -0.69 0.00 0.00 178.15 176.77 2otr h LEU 17 N 0.00 0.23 -1.73 1.44 3.38 -1.19 -3.12 115.31 114.32 2otr h LEU 17 Ca -0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2otr h LEU 17 Cb 1.92 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 2otr h LEU 17 CO 0.08 1.18 -0.05 1.62 0.09 0.00 0.00 178.44 181.36 2otr h VAL 18 N 0.04 1.09 0.18 1.22 3.04 -1.20 0.54 116.25 121.17 2otr h VAL 18 Ca -0.08 -0.37 -0.30 0.00 -1.01 0.00 0.00 66.70 64.95 2otr h VAL 18 Cb 1.86 1.09 0.02 0.00 -2.01 0.00 0.00 31.29 32.25 2otr h VAL 18 CO 0.17 0.11 -1.33 0.50 -1.01 0.00 0.00 177.57 176.01 2otr h LYS 19 N 0.10 0.42 0.02 4.17 3.64 -1.69 -3.31 116.57 119.92 2otr h LYS 19 Ca 0.02 -0.69 -0.20 0.00 -1.27 0.00 0.00 60.65 58.51 2otr h LYS 19 Cb 0.17 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2otr h LYS 19 CO 0.01 1.32 -0.94 -0.91 -2.27 0.00 0.00 179.45 176.66 2otr h ASN 20 N 0.13 0.12 0.00 4.20 -0.26 -1.38 -3.47 115.58 114.92 2otr h ASN 20 Ca -0.19 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 2otr h ASN 20 Cb 2.04 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 39.26 2otr h ASN 20 CO 0.24 0.99 0.00 0.61 -1.06 0.00 0.00 177.43 178.21 2otr n GLY 21 N 1.09 -0.35 3.35 2.83 0.00 0.18 -5.10 105.19 107.19 2otr n GLY 21 Ca -0.02 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 -0.14 0.46 1.61 5.36 -0.66 -4.83 117.98 119.78 2otr s PHE 22 Ca 0.00 -0.19 0.07 0.00 -0.96 0.00 0.00 56.93 55.86 2otr s PHE 22 Cb 0.00 0.26 -0.00 0.00 -0.34 0.00 0.00 43.02 42.93 2otr s PHE 22 CO 0.00 -0.74 0.39 -0.51 -1.46 0.00 0.00 175.22 172.90 2otr s ASP 23 N -2.83 4.88 -0.20 6.13 1.01 -1.26 -4.55 116.67 119.85 2otr s ASP 23 Ca 0.05 -0.91 -0.17 0.00 0.71 0.00 0.00 52.55 52.23 2otr s ASP 23 Cb 0.02 -0.27 -0.07 0.00 1.01 0.00 0.00 42.92 43.60 2otr s ASP 23 CO -0.10 -0.79 -0.34 0.18 0.21 0.00 0.00 175.17 174.33 2otr n LEU 24 N -1.61 1.94 0.32 1.23 4.32 -1.26 -4.44 117.00 117.50 2otr n LEU 24 Ca 0.02 0.35 0.20 0.00 -0.02 0.00 0.00 56.01 56.56 2otr n LEU 24 Cb 0.63 -0.76 1.10 0.00 -1.62 0.00 0.00 43.42 42.76 2otr n LEU 24 CO 0.42 -0.10 1.15 0.50 -1.22 0.00 0.00 177.39 178.14 2otr h LYS 25 N -1.00 0.00 -0.10 3.23 3.64 -1.99 -2.86 116.57 117.50 2otr h LYS 25 Ca -0.15 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2otr h LYS 25 Cb 1.11 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 2otr h LYS 25 CO -0.09 0.01 -0.27 1.25 -2.27 0.00 0.00 179.45 178.08 2otr h LEU 26 N 0.00 -0.82 -0.35 5.20 7.12 -1.99 0.18 115.31 124.64 2otr h LEU 26 Ca -0.00 0.12 -0.00 0.00 0.13 0.00 0.00 57.88 58.13 2otr h LEU 26 Cb 0.05 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 2otr h LEU 26 CO 0.00 -0.32 0.21 0.25 -0.13 0.00 0.00 178.44 178.45 2otr h LEU 27 N -0.36 0.42 -2.41 2.25 6.46 -1.75 0.06 115.31 119.99 2otr h LEU 27 Ca 0.09 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2otr h LEU 27 Cb 0.49 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 2otr h LEU 27 CO -0.30 0.36 -0.02 1.88 -0.62 0.00 0.00 178.44 179.74 2otr h TYR 28 N 0.45 0.00 0.00 1.25 0.05 -1.49 -1.43 116.97 115.81 2otr h TYR 28 Ca 0.12 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.66 2otr h TYR 28 Cb 0.02 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 2otr h TYR 28 CO -0.04 0.02 -1.42 -0.22 -1.05 0.00 0.00 178.16 175.45 2otr h LYS 29 N 0.00 0.00 0.00 4.88 1.63 0.23 -3.32 116.57 119.99 2otr h LYS 29 Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 2otr h LYS 29 Cb 0.05 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 2otr h LYS 29 CO 0.00 0.63 -0.18 0.28 -3.45 0.00 0.00 179.45 176.73 2otr h VAL 30 N 0.00 0.58 -1.02 2.00 2.07 0.10 -3.06 116.25 116.92 2otr h VAL 30 Ca -0.18 -0.82 0.27 0.00 0.82 0.00 0.00 66.70 66.79 2otr h VAL 30 Cb 1.88 1.54 -0.12 0.00 -1.52 0.00 0.00 31.29 33.07 2otr h VAL 30 CO 0.09 0.17 0.62 -0.37 0.02 0.00 0.00 177.57 178.10 2otr h VAL 31 N 0.00 0.49 0.00 2.57 -1.51 -1.59 0.58 116.25 116.79 2otr h VAL 31 Ca -0.00 -0.17 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2otr h VAL 31 Cb 0.52 -0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.64 2otr h VAL 31 CO 0.02 0.09 -0.01 1.23 -1.23 0.00 0.00 177.57 177.67 2otr h GLY 32 N 0.49 0.00 0.99 5.19 0.00 -1.79 -1.45 103.07 106.50 2otr h GLY 32 Ca 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.91 2otr h GLY 32 CO -0.44 0.00 -1.18 0.70 0.00 0.00 0.00 176.54 175.62 2otr n ASN 33 N -4.22 0.85 0.07 0.19 4.13 0.19 -3.80 115.26 112.68 2otr n ASN 33 Ca -0.03 0.35 -0.03 0.00 1.68 0.00 0.00 54.58 56.55 2otr n ASN 33 Cb 0.09 0.33 0.19 0.00 -1.54 0.00 0.00 39.78 38.86 2otr n ASN 33 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2otr h LEU 34 N 0.00 0.31 -0.30 3.41 3.38 -0.28 0.92 115.31 122.75 2otr h LEU 34 Ca -0.07 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.57 2otr h LEU 34 Cb 1.25 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2otr h LEU 34 CO 0.02 0.71 -0.86 0.00 0.09 0.00 0.00 178.44 178.40 2otr h ALA 35 N 1.31 0.53 0.06 1.53 0.00 -1.62 -3.34 119.26 117.73 2otr h ALA 35 Ca 0.02 -0.71 -0.26 0.00 0.00 0.00 0.00 54.91 53.96 2otr h ALA 35 Cb 0.86 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2otr h ALA 35 CO 0.07 0.90 -1.41 1.79 0.00 0.00 0.00 179.25 180.59 2otr h THR 36 N 0.12 0.91 -5.24 0.00 1.35 -1.62 -3.50 112.91 104.94 2otr h THR 36 Ca -0.04 -2.27 -0.26 0.00 -0.55 0.00 0.00 66.41 63.29 2otr h THR 36 Cb 1.48 2.45 0.17 0.00 -1.73 0.00 0.00 68.15 70.52 2otr h THR 36 CO 0.13 0.55 -0.74 -0.62 -0.25 0.00 0.00 175.52 174.60 2otr n GLU 37 N -4.10 -3.75 -0.11 4.72 1.02 0.32 -4.98 120.64 113.75 2otr n GLU 37 Ca -0.30 0.77 -0.19 0.00 -0.02 0.00 0.00 57.16 57.43 2otr n GLU 37 Cb 0.81 -5.46 -0.08 0.00 -0.02 0.00 0.00 31.44 26.69 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 -3.39 0.54 0.00 3.49 6.02 -1.26 -4.90 117.38 117.88 2otr n GLN 38 Ca -0.15 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 2otr n GLN 38 Cb 0.63 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.26 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 -4.42 0.00 -3.24 -1.09 -0.04 -1.26 -4.94 135.00 120.01 2otr n PRO 39 Ca -0.31 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 62.92 2otr n PRO 39 Cb 0.64 -0.04 0.02 0.00 -0.04 0.00 0.00 33.50 34.08 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 -0.08 -2.30 -2.37 1.53 4.32 -1.26 -4.18 117.00 112.66 2otr n LEU 40 Ca 0.00 -0.37 -0.00 0.00 -0.02 0.00 0.00 56.01 55.62 2otr n LEU 40 Cb 0.00 -2.64 -0.00 0.00 -1.62 0.00 0.00 43.42 39.16 2otr n LEU 40 CO 0.00 0.24 -0.51 0.00 -1.22 0.00 0.00 177.39 175.91 2otr n ALA 41 N -3.70 -2.11 0.23 -1.18 0.00 -1.17 -3.76 120.51 108.82 2otr n ALA 41 Ca -0.06 0.62 0.09 0.00 0.00 0.00 0.00 53.44 54.08 2otr n ALA 41 Cb 0.58 -1.69 0.53 0.00 0.00 0.00 0.00 19.45 18.87 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 4.29 0.00 -0.06 0.00 0.13 -1.94 0.57 132.00 134.98 2otr h PRO 42 Ca -0.04 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 2otr h PRO 42 Cb 0.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 2otr h PRO 42 CO 0.00 0.23 -0.31 1.57 -0.23 0.00 0.00 178.00 179.27 2otr h LYS 43 N 0.00 0.12 0.00 0.86 2.10 -1.95 -3.28 116.57 114.42 2otr h LYS 43 Ca -0.00 -0.04 -0.32 0.00 -2.00 0.00 0.00 60.65 58.29 2otr h LYS 43 Cb 0.57 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.84 2otr h LYS 43 CO 0.03 0.42 -2.20 0.66 -2.00 0.00 0.00 179.45 176.36 2otr n TYR 44 N -4.14 0.00 -1.66 0.07 4.01 -1.03 -5.12 117.16 109.29 2otr n TYR 44 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2otr n TYR 44 Cb 0.38 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.60 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 -3.08 -4.56 -1.82 -0.72 5.02 0.20 -4.89 118.16 108.31 2otr n LYS 45 Ca -0.37 3.29 -0.38 0.00 -2.02 0.00 0.00 58.31 58.83 2otr n LYS 45 Cb 0.91 -3.58 0.04 0.00 -0.02 0.00 0.00 35.03 32.37 2otr n LYS 45 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2otr s ASP 46 N -1.53 5.31 -0.04 4.39 -4.77 -1.26 -4.91 116.67 113.86 2otr s ASP 46 Ca 0.00 2.72 -0.30 0.00 -3.30 0.00 0.00 52.55 51.67 2otr s ASP 46 Cb 0.00 -2.63 0.07 0.00 -1.09 0.00 0.00 42.92 39.27 2otr s ASP 46 CO 0.00 -1.54 0.68 -1.00 0.70 0.00 0.00 175.17 174.01 2otr s HIS 47 N -1.33 -0.65 0.00 2.11 3.76 -1.04 -5.06 115.29 113.09 2otr s HIS 47 Ca 0.71 1.07 0.00 0.00 -0.15 0.00 0.00 55.06 56.69 2otr s HIS 47 Cb -0.39 0.42 0.00 0.00 1.11 0.00 0.00 32.58 33.72 2otr s HIS 47 CO 0.46 -0.62 0.56 -0.35 -0.85 0.00 0.00 174.74 173.94 2otr n PRO 48 N 0.82 0.00 0.00 8.40 -0.04 -1.26 -1.70 135.00 141.22 2otr n PRO 48 Ca -0.19 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2otr n PRO 48 Cb 0.58 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2otr n PRO 48 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2otr n LEU 49 N -0.69 0.00 -3.41 1.53 4.32 -1.26 -2.31 117.00 115.18 2otr n LEU 49 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 2otr n LEU 49 Cb 0.00 0.18 -0.04 0.00 -1.62 0.00 0.00 43.42 41.94 2otr n LEU 49 CO 0.00 -0.18 0.13 -0.54 -1.22 0.00 0.00 177.39 175.58 2otr s LYS 50 N -0.60 0.50 7.45 3.23 1.02 -1.26 -5.10 119.74 124.98 2otr s LYS 50 Ca 0.00 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.06 2otr s LYS 50 Cb 0.00 0.45 0.00 0.00 -0.52 0.00 0.00 37.83 37.76 2otr s LYS 50 CO 0.00 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 2otr n GLY 51 N 5.42 3.21 0.00 -3.33 0.00 -1.26 -4.63 105.19 104.60 2otr n GLY 51 Ca -0.06 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.35 2.52 -0.02 0.00 -1.26 -4.95 105.19 100.13 2otr n GLY 52 Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.88 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 -6.11 -0.02 0.99 4.77 -1.26 -4.69 117.00 110.67 2otr n LEU 53 Ca 0.00 2.36 0.03 0.00 -0.03 0.00 0.00 56.01 58.37 2otr n LEU 53 Cb 0.00 -3.23 -0.09 0.00 -2.33 0.00 0.00 43.42 37.77 2otr n LEU 53 CO 0.00 -3.79 -0.70 0.29 -1.33 0.00 0.00 177.39 171.86 2otr n LYS 54 N 1.69 0.84 0.08 3.23 5.02 -1.26 -4.52 118.16 123.24 2otr n LYS 54 Ca -0.35 -0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 55.80 2otr n LYS 54 Cb 0.55 -1.28 0.11 0.00 -0.02 0.00 0.00 35.03 34.38 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 0.29 -3.66 4.39 5.19 -1.94 -3.42 116.42 117.27 2otr h ASP 55 Ca -0.08 -0.17 -0.66 0.00 -0.62 0.00 0.00 57.03 55.50 2otr h ASP 55 Cb 0.84 -0.08 -0.22 0.00 0.18 0.00 0.00 39.33 40.04 2otr h ASP 55 CO 0.00 0.84 -0.60 -0.36 -3.12 0.00 0.00 179.24 176.01 2otr s PHE 56 N -3.72 3.13 0.04 4.55 0.08 -1.26 -3.96 117.98 116.83 2otr s PHE 56 Ca -0.04 -0.48 -0.04 0.00 0.12 0.00 0.00 56.93 56.49 2otr s PHE 56 Cb 0.12 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 2otr s PHE 56 CO 0.80 -0.39 0.06 1.03 -0.10 0.00 0.00 175.22 176.62 2otr s ARG 57 N 1.62 0.56 0.02 0.44 0.52 -1.15 -4.32 118.95 116.63 2otr s ARG 57 Ca 0.06 -0.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.50 2otr s ARG 57 Cb -0.16 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.51 2otr s ARG 57 CO 0.05 -0.13 -0.14 -2.00 0.02 0.00 0.00 175.30 173.10 2otr s GLU 58 N -2.68 1.01 0.35 3.54 2.12 -0.69 -1.64 118.70 120.71 2otr s GLU 58 Ca -0.04 -0.64 0.05 0.00 0.36 0.00 0.00 54.97 54.70 2otr s GLU 58 Cb -0.01 -1.00 -0.03 0.00 0.26 0.00 0.00 34.13 33.35 2otr s GLU 58 CO -0.05 0.26 0.19 0.00 -0.54 0.00 0.00 175.26 175.12 2otr s HIS 60 N -3.40 2.18 0.41 0.00 0.09 -1.26 -1.06 115.29 112.25 2otr s HIS 60 Ca 0.33 -2.68 0.12 0.00 -0.00 0.00 0.00 55.06 52.83 2otr s HIS 60 Cb 0.03 -1.81 0.95 0.00 -0.00 0.00 0.00 32.58 31.75 2otr s HIS 60 CO 0.20 -0.72 1.95 1.37 -0.00 0.00 0.00 174.74 177.53 2otr h LEU 61 N 5.93 0.47 -9.47 0.89 -0.00 -1.84 -3.09 115.31 108.19 2otr h LEU 61 Ca 0.14 0.01 -0.60 0.00 -0.00 0.00 0.00 57.88 57.43 2otr h LEU 61 Cb 0.87 -0.08 -0.12 0.00 -0.00 0.00 0.00 40.66 41.32 2otr h LEU 61 CO 0.52 0.28 -0.67 -0.54 -0.00 0.00 0.00 178.44 178.03 2otr s LYS 62 N -5.49 1.93 0.62 0.17 -0.14 -1.26 -4.67 119.74 110.90 2otr s LYS 62 Ca -0.08 -1.80 0.35 0.00 -1.36 0.00 0.00 55.97 53.08 2otr s LYS 62 Cb 0.20 -1.84 1.91 0.00 -1.68 0.00 0.00 37.83 36.42 2otr s LYS 62 CO 0.76 0.19 2.07 -1.00 -0.76 0.00 0.00 175.35 176.61 2otr h PRO 63 N 1.97 0.00 -1.54 -1.68 0.13 -1.98 -3.24 132.00 125.66 2otr h PRO 63 Ca -0.42 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.30 2otr h PRO 63 Cb 1.25 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.10 2otr h PRO 63 CO 0.66 0.00 -0.79 -0.25 -0.23 0.00 0.00 178.00 177.39 2otr n ASP 64 N -2.88 -1.56 -3.34 1.44 9.92 -1.26 -5.09 116.55 113.78 2otr n ASP 64 Ca -0.02 -2.74 0.02 0.00 -0.53 0.00 0.00 54.79 51.53 2otr n ASP 64 Cb 0.21 0.44 -0.04 0.00 -0.64 0.00 0.00 41.12 41.09 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2otr s LEU 65 N -0.09 -0.25 0.38 0.64 1.43 -1.22 -4.85 118.68 114.72 2otr s LEU 65 Ca 0.32 0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 2otr s LEU 65 Cb 0.09 1.29 -0.05 0.00 0.03 0.00 0.00 46.19 47.55 2otr s LEU 65 CO -0.15 -0.05 0.66 -0.76 0.23 0.00 0.00 176.35 176.28 2otr s LEU 66 N 1.97 3.88 -0.31 1.79 1.02 -0.57 -3.78 118.68 122.69 2otr s LEU 66 Ca -0.02 0.82 0.03 0.00 0.02 0.00 0.00 54.13 54.98 2otr s LEU 66 Cb -0.03 -3.69 0.17 0.00 0.02 0.00 0.00 46.19 42.66 2otr s LEU 66 CO -0.16 -0.36 0.44 -0.22 0.02 0.00 0.00 176.35 176.08 2otr s LEU 67 N -4.07 -0.86 -0.09 1.79 0.20 -0.22 -3.09 118.68 112.34 2otr s LEU 67 Ca 0.46 -0.47 -0.15 0.00 0.69 0.00 0.00 54.13 54.66 2otr s LEU 67 Cb -0.10 1.21 -0.05 0.00 -0.43 0.00 0.00 46.19 46.82 2otr s LEU 67 CO 0.35 -0.33 0.38 -0.69 -0.29 0.00 0.00 176.35 175.78 2otr s VAL 68 N 2.42 5.18 0.07 1.68 1.01 -1.19 -1.66 120.40 127.91 2otr s VAL 68 Ca 0.11 0.75 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 2otr s VAL 68 Cb -0.12 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2otr s VAL 68 CO -0.26 0.45 0.17 -0.72 0.00 0.00 0.00 175.10 174.75 2otr s TYR 69 N -0.11 0.15 -0.20 5.22 -0.85 -0.65 0.14 117.35 121.04 2otr s TYR 69 Ca 0.22 -0.52 -0.03 0.00 -0.52 0.00 0.00 57.07 56.21 2otr s TYR 69 Cb -0.15 -0.08 0.06 0.00 0.38 0.00 0.00 41.96 42.18 2otr s TYR 69 CO 0.09 -0.49 0.05 -1.14 -1.52 0.00 0.00 175.55 172.54 2otr s GLN 70 N -3.44 0.57 0.17 -3.49 0.74 0.21 -2.92 119.66 111.51 2otr s GLN 70 Ca 0.02 -0.41 -0.23 0.00 0.05 0.00 0.00 55.36 54.78 2otr s GLN 70 Cb 0.03 -2.05 -0.08 0.00 1.10 0.00 0.00 33.01 32.01 2otr s GLN 70 CO -0.09 -0.67 0.74 0.42 -0.55 0.00 0.00 175.29 175.15 2otr s ILE 71 N 1.89 4.45 -0.35 -2.34 1.09 -1.25 -2.70 121.20 121.98 2otr s ILE 71 Ca 0.00 1.55 -0.01 0.00 -1.10 0.00 0.00 60.65 61.10 2otr s ILE 71 Cb -0.17 -4.04 0.09 0.00 -1.06 0.00 0.00 42.46 37.28 2otr s ILE 71 CO -0.09 0.44 0.09 -1.59 -0.10 0.00 0.00 174.94 173.68 2otr s LYS 72 N -1.37 2.01 0.65 2.79 0.00 -0.77 -4.95 119.74 118.10 2otr s LYS 72 Ca 0.37 -1.64 0.44 0.00 0.00 0.00 0.00 55.97 55.13 2otr s LYS 72 Cb -0.21 -3.33 2.38 0.00 0.00 0.00 0.00 37.83 36.66 2otr s LYS 72 CO 0.24 -0.88 2.34 0.87 0.00 0.00 0.00 175.35 177.92 2otr h LYS 73 N 7.91 0.00 -0.70 1.78 1.57 -1.96 0.79 116.57 125.97 2otr h LYS 73 Ca -0.14 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.84 2otr h LYS 73 Cb 1.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 2otr h LYS 73 CO 0.59 0.00 0.50 -0.56 -0.57 0.00 0.00 179.45 179.41 2otr h GLN 74 N 0.00 0.03 0.00 3.15 3.07 -1.98 -3.12 115.11 116.26 2otr h GLN 74 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2otr h GLN 74 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2otr h GLN 74 CO 0.00 0.02 -0.28 -0.85 0.09 0.00 0.00 178.83 177.81 2otr n GLU 75 N -4.34 0.00 -3.41 0.06 0.28 -0.84 -5.06 120.64 107.32 2otr n GLU 75 Ca 0.14 -0.56 -0.23 0.00 -0.16 0.00 0.00 57.16 56.34 2otr n GLU 75 Cb 0.75 -0.29 0.02 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 -6.10 -4.09 -1.84 4.13 0.21 -4.86 115.26 102.71 2otr n ASN 76 Ca 0.00 -0.27 -0.15 0.00 1.68 0.00 0.00 54.58 55.83 2otr n ASN 76 Cb 0.61 -2.91 -0.12 0.00 -1.54 0.00 0.00 39.78 35.82 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 -2.39 0.73 -0.65 3.41 2.01 -1.10 -3.00 115.64 114.65 2otr s THR 77 Ca 0.18 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2otr s THR 77 Cb -0.03 -0.74 0.17 0.00 0.01 0.00 0.00 72.50 71.91 2otr s THR 77 CO 0.84 -0.25 0.49 -0.22 -0.69 0.00 0.00 174.62 174.80 2otr s LEU 78 N -1.42 5.58 -0.43 4.42 0.20 -0.27 -1.85 118.68 124.92 2otr s LEU 78 Ca -0.05 -2.72 -0.22 0.00 0.69 0.00 0.00 54.13 51.82 2otr s LEU 78 Cb -0.09 -1.94 0.02 0.00 -0.43 0.00 0.00 46.19 43.75 2otr s LEU 78 CO 0.01 -0.44 0.71 0.12 -0.29 0.00 0.00 176.35 176.46 2otr s PHE 79 N 0.13 3.05 0.99 5.38 5.36 -1.10 -1.38 117.98 130.41 2otr s PHE 79 Ca 0.16 0.14 -0.17 0.00 -0.96 0.00 0.00 56.93 56.10 2otr s PHE 79 Cb -0.19 -3.46 0.25 0.00 -0.34 0.00 0.00 43.02 39.28 2otr s PHE 79 CO -0.04 -0.88 0.91 1.28 -1.46 0.00 0.00 175.22 175.02 2otr n LEU 80 N 6.44 0.00 0.00 6.12 7.99 -1.02 0.68 117.00 137.21 2otr n LEU 80 Ca 0.00 -0.96 0.00 0.00 -0.01 0.00 0.00 56.01 55.04 2otr n LEU 80 Cb 0.48 -0.82 0.00 0.00 -0.11 0.00 0.00 43.42 42.97 2otr n LEU 80 CO 0.55 -1.91 0.00 0.52 -1.51 0.00 0.00 177.39 175.04 2otr n VAL 81 N -4.38 0.00 -3.74 4.08 0.31 0.37 -4.53 118.33 110.43 2otr n VAL 81 Ca 0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.25 2otr n VAL 81 Cb 0.48 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.39 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 -0.76 2.99 -0.32 5.55 0.52 -0.97 -3.19 118.95 122.77 2otr s ARG 82 Ca 0.00 -1.09 -0.10 0.00 -0.52 0.00 0.00 55.73 54.02 2otr s ARG 82 Cb 0.00 -2.67 0.19 0.00 0.52 0.00 0.00 34.95 33.00 2otr s ARG 82 CO 0.00 0.16 1.09 -1.17 0.02 0.00 0.00 175.30 175.40 2otr s LEU 83 N -4.04 -0.22 0.00 2.53 1.98 -1.24 -3.18 118.68 114.51 2otr s LEU 83 Ca 0.41 -0.14 0.00 0.00 -2.89 0.00 0.00 54.13 51.50 2otr s LEU 83 Cb -0.08 0.28 0.00 0.00 0.66 0.00 0.00 46.19 47.06 2otr s LEU 83 CO 0.28 -0.02 0.00 0.61 -1.89 0.00 0.00 176.35 175.33 2otr n GLY 84 N 3.42 -0.86 2.97 7.98 0.00 -1.18 -4.21 105.19 113.30 2otr n GLY 84 Ca 0.06 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 0.17 0.26 1.61 0.15 -1.26 -1.52 113.70 109.12 2otr s SER 85 Ca 0.00 -0.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.23 2otr s SER 85 Cb 0.00 0.09 0.32 0.00 -1.71 0.00 0.00 66.02 64.72 2otr s SER 85 CO 0.00 -0.24 1.92 -0.74 1.20 0.00 0.00 173.24 175.38 2otr h HIS 86 N 4.95 1.23 -0.02 3.44 2.76 -1.98 0.26 115.15 125.78 2otr h HIS 86 Ca -0.30 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.66 2otr h HIS 86 Cb 1.21 -0.41 0.01 0.00 1.55 0.00 0.00 27.41 29.77 2otr h HIS 86 CO 0.60 0.73 -0.94 1.03 -1.30 0.00 0.00 177.93 178.06 2otr h SER 87 N 1.29 0.70 0.47 3.26 0.87 -1.97 -1.23 113.55 116.95 2otr h SER 87 Ca 0.38 -0.54 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2otr h SER 87 Cb -0.06 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 2otr h SER 87 CO -0.11 1.33 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.97 2otr h GLU 88 N 0.32 -0.61 0.60 2.24 3.07 -1.85 -3.35 114.58 114.99 2otr h GLU 88 Ca -0.09 0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 2otr h GLU 88 Cb 1.57 0.14 0.01 0.00 -0.84 0.00 0.00 28.75 29.63 2otr h GLU 88 CO 0.17 -0.32 -0.29 -0.07 -1.40 0.00 0.00 179.01 177.10 2otr h LEU 89 N -1.04 -0.68 -1.24 1.33 -0.00 -0.63 -3.48 115.31 109.57 2otr h LEU 89 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2otr h LEU 89 Cb 0.58 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2otr h LEU 89 CO 0.11 -0.40 0.00 0.49 -0.00 0.00 0.00 178.44 178.64