#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otr n LEU 2 N 0.00 -2.52 0.00 -0.89 4.32 -1.26 -4.91 117.00 111.74 2otr n LEU 2 Ca 0.00 2.81 -0.15 0.00 -0.02 0.00 0.00 56.01 58.65 2otr n LEU 2 Cb 0.00 -2.66 0.13 0.00 -1.62 0.00 0.00 43.42 39.27 2otr n LEU 2 CO 0.00 0.31 0.28 0.41 -1.22 0.00 0.00 177.39 177.18 2otr n THR 3 N -0.77 0.00 -3.84 -5.08 -1.04 -0.95 -4.59 114.28 98.00 2otr n THR 3 Ca 0.00 -0.20 -0.24 0.00 -2.04 0.00 0.00 64.05 61.57 2otr n THR 3 Cb 0.00 -1.02 -0.17 0.00 -1.82 0.00 0.00 70.33 67.32 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 -1.92 0.55 0.32 12.58 1.09 -1.26 0.49 121.20 133.05 2otr s ILE 4 Ca 0.35 0.00 0.09 0.00 -1.10 0.00 0.00 60.65 59.99 2otr s ILE 4 Cb -0.04 -0.66 -0.05 0.00 -1.06 0.00 0.00 42.46 40.65 2otr s ILE 4 CO 0.27 0.28 0.02 -1.61 -0.10 0.00 0.00 174.94 173.81 2otr s GLU 5 N 1.80 2.14 0.14 2.79 0.41 0.11 -4.92 118.70 121.17 2otr s GLU 5 Ca 0.03 -1.66 0.07 0.00 -0.41 0.00 0.00 54.97 53.00 2otr s GLU 5 Cb -0.13 -2.00 -0.04 0.00 -1.78 0.00 0.00 34.13 30.19 2otr s GLU 5 CO -0.05 0.18 -0.15 0.95 -0.49 0.00 0.00 175.26 175.70 2otr s THR 6 N -2.47 1.46 0.50 3.63 -4.23 -1.26 -1.50 115.64 111.77 2otr s THR 6 Ca 0.34 -1.82 0.08 0.00 -1.18 0.00 0.00 61.69 59.12 2otr s THR 6 Cb -0.02 -1.66 0.08 0.00 1.34 0.00 0.00 72.50 72.25 2otr s THR 6 CO 0.20 -0.42 0.70 -1.20 -0.54 0.00 0.00 174.62 173.35 2otr n SER 7 N 0.37 1.82 -0.03 3.99 7.64 -1.26 -4.84 113.62 121.32 2otr n SER 7 Ca -0.14 -2.33 -0.15 0.00 1.01 0.00 0.00 58.87 57.26 2otr n SER 7 Cb 0.57 -0.37 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 2otr n SER 7 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2otr h LYS 8 N 0.00 0.29 0.00 1.43 2.10 -1.94 -3.23 116.57 115.22 2otr h LYS 8 Ca -0.23 -0.26 -0.07 0.00 -2.00 0.00 0.00 60.65 58.09 2otr h LYS 8 Cb 1.08 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 2otr h LYS 8 CO 0.33 0.93 -0.32 1.57 -2.00 0.00 0.00 179.45 179.96 2otr h LYS 9 N -0.25 0.00 -0.92 0.07 2.10 -1.97 -2.80 116.57 112.80 2otr h LYS 9 Ca -0.03 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.67 2otr h LYS 9 Cb 1.01 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.28 2otr h LYS 9 CO 0.07 0.32 0.60 0.35 -2.00 0.00 0.00 179.45 178.79 2otr h PHE 10 N 0.00 1.11 -0.28 0.07 3.04 -1.65 0.43 116.94 119.66 2otr h PHE 10 Ca -0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2otr h PHE 10 Cb 0.58 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 2otr h PHE 10 CO 0.00 0.62 0.08 0.22 -2.02 0.00 0.00 178.31 177.21 2otr h ASP 11 N 1.12 0.35 0.92 0.41 3.58 -1.54 -0.56 116.42 120.71 2otr h ASP 11 Ca 0.38 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.75 2otr h ASP 11 Cb 0.08 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2otr h ASP 11 CO -0.13 0.35 -1.11 0.11 -2.88 0.00 0.00 179.24 175.59 2otr h LYS 12 N 0.39 0.00 0.00 0.28 6.56 -1.27 -3.11 116.57 119.42 2otr h LYS 12 Ca 0.10 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.56 2otr h LYS 12 Cb 0.13 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 2otr h LYS 12 CO -0.01 0.08 -0.58 -0.44 -2.06 0.00 0.00 179.45 176.44 2otr h ASP 13 N 0.00 0.00 0.21 0.86 3.32 0.47 -3.26 116.42 118.02 2otr h ASP 13 Ca -0.05 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.65 2otr h ASP 13 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2otr h ASP 13 CO 0.01 0.58 -1.88 -0.07 -1.72 0.00 0.00 179.24 176.17 2otr h LEU 14 N 0.00 0.40 -1.97 1.55 4.07 -1.25 -3.21 115.31 114.91 2otr h LEU 14 Ca -0.01 -0.81 0.06 0.00 0.08 0.00 0.00 57.88 57.21 2otr h LEU 14 Cb 1.43 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 2otr h LEU 14 CO 0.08 1.71 0.17 0.07 -1.08 0.00 0.00 178.44 179.39 2otr h LYS 15 N 0.07 0.04 0.00 1.13 2.10 -1.64 0.57 116.57 118.83 2otr h LYS 15 Ca -0.38 -0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.04 2otr h LYS 15 Cb 2.04 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 33.33 2otr h LYS 15 CO 0.11 0.03 -1.29 0.82 -2.00 0.00 0.00 179.45 177.12 2otr h ILE 16 N 0.04 1.17 0.17 0.07 1.08 -1.70 -3.32 117.51 115.02 2otr h ILE 16 Ca 0.11 -2.88 -0.30 0.00 -0.39 0.00 0.00 64.86 61.39 2otr h ILE 16 Cb 0.40 2.55 0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2otr h ILE 16 CO -0.01 0.66 -1.40 -0.07 -0.69 0.00 0.00 178.15 176.65 2otr h LEU 17 N 0.00 0.55 -2.36 1.44 3.38 -1.22 -2.64 115.31 114.46 2otr h LEU 17 Ca -0.14 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.20 2otr h LEU 17 Cb 1.82 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 2otr h LEU 17 CO 0.10 1.50 -0.00 1.62 0.09 0.00 0.00 178.44 181.74 2otr h VAL 18 N 0.10 0.62 0.09 1.22 3.04 -0.06 0.70 116.25 121.96 2otr h VAL 18 Ca -0.20 -0.02 -0.33 0.00 -1.01 0.00 0.00 66.70 65.14 2otr h VAL 18 Cb 2.05 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 32.32 2otr h VAL 18 CO 0.21 0.00 -1.78 1.17 -1.01 0.00 0.00 177.57 176.17 2otr n LYS 19 N -3.98 0.70 0.14 4.17 0.00 -1.23 -3.95 118.16 114.01 2otr n LYS 19 Ca -0.03 0.36 -0.00 0.00 0.00 0.00 0.00 58.31 58.64 2otr n LYS 19 Cb 0.09 -1.72 0.27 0.00 0.00 0.00 0.00 35.03 33.66 2otr n LYS 19 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 2otr h ASN 20 N -0.25 0.09 0.00 3.14 -1.24 -1.09 -3.45 115.58 112.78 2otr h ASN 20 Ca -0.40 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.57 2otr h ASN 20 Cb 1.82 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.85 2otr h ASN 20 CO 0.00 0.52 0.00 0.61 -1.29 0.00 0.00 177.43 177.27 2otr n GLY 21 N -0.20 -0.54 3.77 1.57 0.00 0.23 -5.07 105.19 104.94 2otr n GLY 21 Ca -0.02 0.31 -0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 0.05 0.21 1.61 5.36 -0.22 -4.81 117.98 120.18 2otr s PHE 22 Ca 0.00 -0.51 -0.07 0.00 -0.96 0.00 0.00 56.93 55.39 2otr s PHE 22 Cb 0.00 0.58 -0.02 0.00 -0.34 0.00 0.00 43.02 43.23 2otr s PHE 22 CO 0.00 -1.24 0.28 0.34 -1.46 0.00 0.00 175.22 173.15 2otr s ASP 23 N -2.98 0.05 -0.12 6.13 2.15 -1.26 -4.60 116.67 116.04 2otr s ASP 23 Ca 0.15 -1.15 0.18 0.00 0.43 0.00 0.00 52.55 52.16 2otr s ASP 23 Cb -0.04 0.47 -0.25 0.00 -0.30 0.00 0.00 42.92 42.79 2otr s ASP 23 CO 0.09 -0.96 0.30 0.18 -0.17 0.00 0.00 175.17 174.61 2otr n LEU 24 N -0.31 0.21 0.03 -1.34 4.32 -1.26 -4.29 117.00 114.36 2otr n LEU 24 Ca -0.01 0.09 -0.02 0.00 -0.02 0.00 0.00 56.01 56.06 2otr n LEU 24 Cb 0.64 0.32 0.24 0.00 -1.62 0.00 0.00 43.42 43.01 2otr n LEU 24 CO 0.28 0.36 0.79 0.50 -1.22 0.00 0.00 177.39 178.10 2otr h LYS 25 N 0.00 0.45 -0.31 3.23 3.64 -1.98 -2.14 116.57 119.46 2otr h LYS 25 Ca -0.38 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 2otr h LYS 25 Cb 1.93 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.69 2otr h LYS 25 CO 0.03 0.63 -0.07 1.37 -2.27 0.00 0.00 179.45 179.14 2otr h LEU 26 N 0.41 0.47 -0.03 5.20 8.10 -1.98 0.79 115.31 128.27 2otr h LEU 26 Ca 0.07 -0.11 -0.23 0.00 0.11 0.00 0.00 57.88 57.73 2otr h LEU 26 Cb 0.57 -0.12 0.02 0.00 -0.44 0.00 0.00 40.66 40.68 2otr h LEU 26 CO 0.04 0.59 -0.87 0.25 -4.11 0.00 0.00 178.44 174.34 2otr h LEU 27 N 0.47 0.81 -1.00 0.17 5.85 -1.67 -0.01 115.31 119.93 2otr h LEU 27 Ca 0.09 -0.72 -0.05 0.00 0.84 0.00 0.00 57.88 58.04 2otr h LEU 27 Cb 0.41 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2otr h LEU 27 CO 0.02 1.42 -0.23 1.88 -0.34 0.00 0.00 178.44 181.20 2otr h TYR 28 N 0.28 0.00 0.02 1.25 0.05 -1.20 -2.69 116.97 114.68 2otr h TYR 28 Ca -0.10 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.38 2otr h TYR 28 Cb 1.53 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.23 2otr h TYR 28 CO 0.11 0.23 -1.75 1.63 -1.05 0.00 0.00 178.16 177.33 2otr n LYS 29 N -3.35 0.65 0.00 4.88 4.76 0.25 -3.96 118.16 121.39 2otr n LYS 29 Ca 0.00 0.30 0.14 0.00 -2.87 0.00 0.00 58.31 55.89 2otr n LYS 29 Cb 0.45 -1.78 0.68 0.00 -1.84 0.00 0.00 35.03 32.53 2otr n LYS 29 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2otr n VAL 30 N -3.12 0.00 -0.31 -0.18 3.14 -0.02 -3.83 118.33 114.01 2otr n VAL 30 Ca -0.19 -0.01 0.05 0.00 -2.96 0.00 0.00 64.34 61.24 2otr n VAL 30 Cb 1.05 -0.43 0.20 0.00 -1.06 0.00 0.00 33.84 33.60 2otr n VAL 30 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2otr h VAL 31 N 0.05 0.84 0.00 1.55 2.07 -1.60 0.10 116.25 119.26 2otr h VAL 31 Ca 0.00 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2otr h VAL 31 Cb 0.38 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2otr h VAL 31 CO 0.00 0.14 -0.20 1.23 0.02 0.00 0.00 177.57 178.76 2otr h GLY 32 N 0.76 0.00 1.28 2.17 0.00 -1.84 -2.25 103.07 103.19 2otr h GLY 32 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2otr h GLY 32 CO -0.29 0.00 -0.70 3.43 0.00 0.00 0.00 176.54 178.98 2otr h ASN 33 N 0.00 0.00 0.26 0.19 -0.26 -1.13 -3.29 115.58 111.36 2otr h ASN 33 Ca -0.00 -0.02 -0.28 0.00 -0.56 0.00 0.00 56.30 55.43 2otr h ASN 33 Cb 0.45 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.73 2otr h ASN 33 CO 0.03 0.01 -1.21 -0.07 -1.06 0.00 0.00 177.43 175.13 2otr h LEU 34 N 0.00 0.74 -0.92 1.61 3.38 -0.40 0.93 115.31 120.65 2otr h LEU 34 Ca 0.00 -0.69 -0.11 0.00 0.09 0.00 0.00 57.88 57.17 2otr h LEU 34 Cb 0.97 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2otr h LEU 34 CO 0.00 1.50 -0.39 0.00 0.09 0.00 0.00 178.44 179.64 2otr h ALA 35 N 0.42 1.08 0.00 1.53 0.00 -1.59 -3.24 119.26 117.46 2otr h ALA 35 Ca -0.16 -0.41 -0.36 0.00 0.00 0.00 0.00 54.91 53.98 2otr h ALA 35 Cb 1.88 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 2otr h ALA 35 CO 0.22 0.59 -2.26 0.25 0.00 0.00 0.00 179.25 178.05 2otr n THR 36 N -4.04 1.46 -3.20 0.00 -2.24 -1.24 -5.03 114.28 99.99 2otr n THR 36 Ca -0.01 -0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 60.81 2otr n THR 36 Cb 0.47 -0.72 0.07 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.89 -2.60 0.05 -0.78 1.02 0.32 -4.98 120.64 110.78 2otr n GLU 37 Ca -0.31 0.83 -0.07 0.00 -0.02 0.00 0.00 57.16 57.58 2otr n GLU 37 Cb 1.12 -5.66 -0.05 0.00 -0.02 0.00 0.00 31.44 26.82 2otr n GLU 37 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2otr h GLN 38 N -1.12 -0.21 0.00 3.49 4.20 -1.92 -3.42 115.11 116.13 2otr h GLN 38 Ca -0.58 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.14 2otr h GLN 38 Cb 1.30 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2otr h GLN 38 CO 0.43 0.09 0.00 -0.35 -0.67 0.00 0.00 178.83 178.33 2otr n PRO 39 N -4.91 0.00 -2.95 1.46 -0.04 -1.26 -4.99 135.00 122.31 2otr n PRO 39 Ca -0.06 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.39 2otr n PRO 39 Cb 0.20 -0.80 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.35 -5.13 -4.48 1.53 7.99 -1.26 -4.81 117.00 110.47 2otr n LEU 40 Ca 0.00 1.24 -0.40 0.00 -0.01 0.00 0.00 56.01 56.84 2otr n LEU 40 Cb 0.00 -2.13 0.02 0.00 -0.11 0.00 0.00 43.42 41.19 2otr n LEU 40 CO 0.00 -2.92 0.15 0.00 -1.51 0.00 0.00 177.39 173.11 2otr n ALA 41 N 1.96 -1.09 0.20 -1.18 0.00 -1.26 -4.58 120.51 114.56 2otr n ALA 41 Ca -0.11 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2otr n ALA 41 Cb 0.25 -1.84 0.37 0.00 0.00 0.00 0.00 19.45 18.23 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 0.72 0.00 0.00 0.00 0.13 -1.97 0.37 132.00 131.25 2otr h PRO 42 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 2otr h PRO 42 Cb 1.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.50 2otr h PRO 42 CO 0.51 0.32 -0.54 1.57 -0.23 0.00 0.00 178.00 179.63 2otr h LYS 43 N 0.00 0.00 0.00 0.86 -0.00 -2.01 -3.40 116.57 112.02 2otr h LYS 43 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2otr h LYS 43 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.09 2otr h LYS 43 CO 0.04 0.54 -0.12 0.66 -0.00 0.00 0.00 179.45 180.57 2otr n TYR 44 N -3.63 0.00 -1.37 0.07 4.01 -1.14 -5.14 117.16 109.96 2otr n TYR 44 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2otr n TYR 44 Cb 0.60 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 2otr n TYR 44 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2otr n LYS 45 N -2.94 -3.61 -2.48 -0.72 4.81 0.13 -4.77 118.16 108.58 2otr n LYS 45 Ca -0.02 2.80 -0.43 0.00 -0.87 0.00 0.00 58.31 59.80 2otr n LYS 45 Cb 0.06 -3.50 -0.02 0.00 0.02 0.00 0.00 35.03 31.59 2otr n LYS 45 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2otr s ASP 46 N -5.07 7.01 0.15 3.14 -1.08 -1.26 -4.66 116.67 114.90 2otr s ASP 46 Ca 0.00 1.66 -0.11 0.00 -0.52 0.00 0.00 52.55 53.58 2otr s ASP 46 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2otr s ASP 46 CO 0.00 -0.69 0.32 -1.00 0.52 0.00 0.00 175.17 174.32 2otr s HIS 47 N 3.09 0.23 0.84 -5.34 3.76 -1.21 -5.05 115.29 111.61 2otr s HIS 47 Ca 0.53 -0.60 -0.11 0.00 -0.15 0.00 0.00 55.06 54.73 2otr s HIS 47 Cb -0.21 0.04 0.10 0.00 1.11 0.00 0.00 32.58 33.62 2otr s HIS 47 CO 0.15 -0.72 1.10 -1.25 -0.85 0.00 0.00 174.74 173.16 2otr s PRO 48 N -3.92 1.68 0.00 8.40 0.04 -1.26 -3.17 135.00 136.77 2otr s PRO 48 Ca 0.13 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2otr s PRO 48 Cb 0.03 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2otr s PRO 48 CO -0.03 -2.03 0.00 1.28 0.04 0.00 0.00 177.00 176.26 2otr n LEU 49 N -3.77 0.06 -4.97 -3.56 4.32 -1.26 -4.87 117.00 102.94 2otr n LEU 49 Ca 0.09 0.09 -0.22 0.00 -0.02 0.00 0.00 56.01 55.95 2otr n LEU 49 Cb 0.54 -0.45 0.05 0.00 -1.62 0.00 0.00 43.42 41.94 2otr n LEU 49 CO 0.54 -0.45 0.42 -0.54 -1.22 0.00 0.00 177.39 176.14 2otr s LYS 50 N -0.91 2.32 -0.32 3.23 -0.14 -1.26 -5.07 119.74 117.59 2otr s LYS 50 Ca 0.00 -0.83 -0.11 0.00 -1.36 0.00 0.00 55.97 53.68 2otr s LYS 50 Cb 0.00 -2.43 -0.02 0.00 -1.68 0.00 0.00 37.83 33.70 2otr s LYS 50 CO 0.00 -0.92 0.19 0.20 -0.76 0.00 0.00 175.35 174.06 2otr s GLY 51 N -4.50 1.91 0.00 -3.33 0.00 -1.26 -4.36 107.32 95.77 2otr s GLY 51 Ca 0.60 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2otr s GLY 51 CO 0.40 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.83 2otr n GLY 52 N 5.03 1.83 3.15 0.20 0.00 -1.26 -5.10 105.19 109.04 2otr n GLY 52 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 2otr n GLY 52 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2otr s LEU 53 N 0.00 -1.15 -0.46 0.99 0.05 -1.26 -5.03 118.68 111.82 2otr s LEU 53 Ca 0.00 0.60 0.02 0.00 0.05 0.00 0.00 54.13 54.80 2otr s LEU 53 Cb 0.00 1.92 0.57 0.00 -2.05 0.00 0.00 46.19 46.63 2otr s LEU 53 CO 0.00 -0.21 1.89 2.29 -0.55 0.00 0.00 176.35 179.77 2otr n LYS 54 N 5.42 2.25 -0.06 1.48 0.00 -1.26 -4.26 118.16 121.73 2otr n LYS 54 Ca -0.01 -2.84 -0.11 0.00 -0.00 0.00 0.00 58.31 55.35 2otr n LYS 54 Cb 0.52 -2.11 -0.15 0.00 -0.00 0.00 0.00 35.03 33.30 2otr n LYS 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2otr n ASP 55 N -0.96 0.79 -4.67 -5.58 8.00 -1.26 -4.93 116.55 107.94 2otr n ASP 55 Ca 0.56 0.19 -0.32 0.00 0.71 0.00 0.00 54.79 55.93 2otr n ASP 55 Cb 1.37 0.21 -0.09 0.00 -0.02 0.00 0.00 41.12 42.59 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 -2.55 3.04 -0.27 1.24 0.40 -1.26 -3.94 117.98 114.64 2otr s PHE 56 Ca -0.11 0.05 -0.14 0.00 -0.60 0.00 0.00 56.93 56.12 2otr s PHE 56 Cb 0.07 -1.64 0.09 0.00 0.51 0.00 0.00 43.02 42.04 2otr s PHE 56 CO 0.80 0.45 0.65 1.03 0.70 0.00 0.00 175.22 178.85 2otr s ARG 57 N -1.63 0.65 -0.12 0.44 0.52 -1.07 -4.11 118.95 113.63 2otr s ARG 57 Ca 0.20 1.22 -0.04 0.00 -0.52 0.00 0.00 55.73 56.59 2otr s ARG 57 Cb -0.11 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.55 2otr s ARG 57 CO 0.11 -0.16 0.02 -2.00 0.02 0.00 0.00 175.30 173.29 2otr s GLU 58 N 1.81 3.35 0.08 3.54 -6.30 -1.19 -1.77 118.70 118.22 2otr s GLU 58 Ca -0.09 -0.38 0.06 0.00 -2.50 0.00 0.00 54.97 52.05 2otr s GLU 58 Cb -0.06 -2.94 -0.03 0.00 0.00 0.00 0.00 34.13 31.09 2otr s GLU 58 CO -0.19 0.55 -0.16 0.00 0.02 0.00 0.00 175.26 175.48 2otr s HIS 60 N -1.21 3.75 0.24 0.00 3.76 -1.26 -0.84 115.29 119.73 2otr s HIS 60 Ca 0.00 -2.62 -0.07 0.00 -0.15 0.00 0.00 55.06 52.22 2otr s HIS 60 Cb -0.10 -3.45 0.26 0.00 1.11 0.00 0.00 32.58 30.39 2otr s HIS 60 CO 0.03 -0.86 1.90 1.37 -0.85 0.00 0.00 174.74 176.32 2otr h LEU 61 N 6.87 1.00 -9.89 0.89 8.10 -1.89 -3.35 115.31 117.04 2otr h LEU 61 Ca 0.09 -0.02 -0.55 0.00 0.11 0.00 0.00 57.88 57.52 2otr h LEU 61 Cb 0.92 -0.24 -0.07 0.00 -0.44 0.00 0.00 40.66 40.83 2otr h LEU 61 CO 0.80 0.70 -0.50 -0.54 -4.11 0.00 0.00 178.44 174.79 2otr s LYS 62 N -6.11 2.33 0.00 0.17 1.02 -1.25 -4.83 119.74 111.06 2otr s LYS 62 Ca -0.13 -1.67 0.16 0.00 0.02 0.00 0.00 55.97 54.35 2otr s LYS 62 Cb 0.17 -2.12 0.76 0.00 -0.52 0.00 0.00 37.83 36.12 2otr s LYS 62 CO 0.80 -0.02 1.49 -0.35 -0.92 0.00 0.00 175.35 176.35 2otr n PRO 63 N -1.23 0.13 -2.75 -1.68 -0.04 -1.26 -3.41 135.00 124.76 2otr n PRO 63 Ca -0.01 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2otr n PRO 63 Cb 0.63 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.38 0.24 -3.69 3.54 2.03 -1.26 -5.10 116.55 110.94 2otr n ASP 64 Ca 0.06 -2.22 -0.12 0.00 0.52 0.00 0.00 54.79 53.03 2otr n ASP 64 Cb 0.15 0.03 -0.09 0.00 -0.72 0.00 0.00 41.12 40.49 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 -3.76 -0.15 0.45 -2.67 1.43 -1.22 -4.38 118.68 108.39 2otr s LEU 65 Ca 0.21 1.07 0.08 0.00 -1.03 0.00 0.00 54.13 54.45 2otr s LEU 65 Cb 0.39 1.74 0.01 0.00 0.03 0.00 0.00 46.19 48.36 2otr s LEU 65 CO -0.06 -0.19 0.54 -0.76 0.23 0.00 0.00 176.35 176.11 2otr s LEU 66 N 0.80 3.45 -0.29 1.79 1.02 0.15 -3.75 118.68 121.85 2otr s LEU 66 Ca -0.04 -0.62 -0.00 0.00 0.02 0.00 0.00 54.13 53.48 2otr s LEU 66 Cb -0.05 -2.26 0.19 0.00 0.02 0.00 0.00 46.19 44.09 2otr s LEU 66 CO -0.06 -0.83 0.76 -0.22 0.02 0.00 0.00 176.35 176.01 2otr s LEU 67 N -4.33 -1.19 -0.10 1.79 0.20 -0.02 -2.68 118.68 112.35 2otr s LEU 67 Ca 0.53 0.15 -0.12 0.00 0.69 0.00 0.00 54.13 55.38 2otr s LEU 67 Cb -0.07 1.76 -0.05 0.00 -0.43 0.00 0.00 46.19 47.40 2otr s LEU 67 CO 0.32 -0.22 0.29 -0.69 -0.29 0.00 0.00 176.35 175.76 2otr s VAL 68 N 2.88 5.27 0.11 1.68 1.01 -0.69 -0.77 120.40 129.88 2otr s VAL 68 Ca 0.16 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 2otr s VAL 68 Cb -0.07 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2otr s VAL 68 CO -0.25 0.50 0.19 -0.72 0.00 0.00 0.00 175.10 174.82 2otr s TYR 69 N -0.36 0.31 -0.08 5.22 -0.85 -0.73 0.18 117.35 121.05 2otr s TYR 69 Ca 0.18 -0.73 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 2otr s TYR 69 Cb -0.14 -0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.10 2otr s TYR 69 CO 0.07 -0.58 -0.07 -1.14 -1.52 0.00 0.00 175.55 172.31 2otr s GLN 70 N -3.91 1.25 0.23 -3.49 0.74 0.18 -2.60 119.66 112.06 2otr s GLN 70 Ca 0.10 -0.20 -0.21 0.00 0.05 0.00 0.00 55.36 55.10 2otr s GLN 70 Cb 0.05 -1.26 -0.08 0.00 1.10 0.00 0.00 33.01 32.82 2otr s GLN 70 CO -0.07 -0.15 0.77 0.42 -0.55 0.00 0.00 175.29 175.71 2otr s ILE 71 N 1.29 4.49 -0.48 -2.34 -1.09 -1.25 -2.55 121.20 119.25 2otr s ILE 71 Ca -0.04 1.43 0.03 0.00 -2.23 0.00 0.00 60.65 59.84 2otr s ILE 71 Cb -0.14 -3.92 0.14 0.00 -1.58 0.00 0.00 42.46 36.96 2otr s ILE 71 CO -0.03 0.24 0.29 -1.59 -1.23 0.00 0.00 174.94 172.62 2otr s LYS 72 N -1.87 1.52 0.64 2.79 -2.85 -1.02 -4.95 119.74 113.99 2otr s LYS 72 Ca 0.43 -2.29 0.35 0.00 -1.00 0.00 0.00 55.97 53.47 2otr s LYS 72 Cb -0.18 -2.55 1.98 0.00 -2.06 0.00 0.00 37.83 35.02 2otr s LYS 72 CO 0.22 -1.19 2.19 1.57 0.10 0.00 0.00 175.35 178.24 2otr h LYS 73 N 6.42 0.00 -0.87 1.78 2.10 -1.95 0.13 116.57 124.17 2otr h LYS 73 Ca 0.03 0.00 0.23 0.00 -2.00 0.00 0.00 60.65 58.90 2otr h LYS 73 Cb 0.90 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.18 2otr h LYS 73 CO 0.54 0.00 0.60 -0.56 -2.00 0.00 0.00 179.45 178.03 2otr h GLN 74 N 0.00 0.17 0.00 0.07 3.07 -1.97 -2.92 115.11 113.53 2otr h GLN 74 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.75 2otr h GLN 74 Cb 0.28 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2otr h GLN 74 CO -0.00 0.11 -0.24 -0.85 0.09 0.00 0.00 178.83 177.94 2otr n GLU 75 N -4.39 0.00 -3.53 0.06 0.28 -0.69 -5.06 120.64 107.32 2otr n GLU 75 Ca 0.18 -0.71 -0.16 0.00 -0.16 0.00 0.00 57.16 56.31 2otr n GLU 75 Cb 0.82 -0.47 0.00 0.00 1.43 0.00 0.00 31.44 33.22 2otr n GLU 75 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2otr n ASN 76 N 0.00 -5.91 -3.99 -1.84 5.15 0.35 -4.81 115.26 104.21 2otr n ASN 76 Ca 0.00 -0.65 -0.13 0.00 -0.60 0.00 0.00 54.58 53.21 2otr n ASN 76 Cb 0.60 -3.00 -0.12 0.00 -0.53 0.00 0.00 39.78 36.73 2otr n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2otr s THR 77 N -3.00 0.34 -0.75 -0.44 2.01 -1.13 -2.25 115.64 110.42 2otr s THR 77 Ca 0.00 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 2otr s THR 77 Cb -0.00 -0.38 0.20 0.00 0.01 0.00 0.00 72.50 72.32 2otr s THR 77 CO 0.84 -0.23 0.68 -0.22 -0.69 0.00 0.00 174.62 175.00 2otr s LEU 78 N -0.97 6.52 -0.37 4.42 2.96 0.18 -2.44 118.68 128.99 2otr s LEU 78 Ca -0.07 -2.50 -0.21 0.00 -0.22 0.00 0.00 54.13 51.13 2otr s LEU 78 Cb -0.07 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.45 2otr s LEU 78 CO -0.00 -0.62 0.65 0.12 -1.32 0.00 0.00 176.35 175.18 2otr s PHE 79 N 0.46 3.14 1.19 5.38 5.36 -1.06 0.07 117.98 132.52 2otr s PHE 79 Ca 0.15 0.30 -0.20 0.00 -0.96 0.00 0.00 56.93 56.22 2otr s PHE 79 Cb -0.15 -3.18 0.29 0.00 -0.34 0.00 0.00 43.02 39.63 2otr s PHE 79 CO -0.06 -0.67 1.15 -0.51 -1.46 0.00 0.00 175.22 173.67 2otr s LEU 80 N 2.75 0.94 0.00 6.12 1.43 -0.56 0.49 118.68 129.84 2otr s LEU 80 Ca 0.25 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2otr s LEU 80 Cb -0.14 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.86 2otr s LEU 80 CO 0.16 -4.02 0.00 0.52 0.23 0.00 0.00 176.35 173.23 2otr n VAL 81 N -4.67 0.00 -4.43 -1.59 0.31 0.48 -4.12 118.33 104.31 2otr n VAL 81 Ca 0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.27 2otr n VAL 81 Cb 0.60 -0.04 -0.10 0.00 -0.91 0.00 0.00 33.84 33.38 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 -0.92 1.65 -0.22 5.55 3.52 -0.96 -3.78 118.95 123.79 2otr s ARG 82 Ca 0.00 -1.93 -0.31 0.00 -0.13 0.00 0.00 55.73 53.36 2otr s ARG 82 Cb 0.00 -0.67 0.16 0.00 -1.56 0.00 0.00 34.95 32.88 2otr s ARG 82 CO 0.00 -0.27 1.21 -1.17 -0.81 0.00 0.00 175.30 174.26 2otr s LEU 83 N -3.47 -0.16 0.00 -0.88 0.20 -1.26 -1.71 118.68 111.40 2otr s LEU 83 Ca 0.35 0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.30 2otr s LEU 83 Cb 0.07 1.40 0.00 0.00 -0.43 0.00 0.00 46.19 47.23 2otr s LEU 83 CO 0.15 -0.18 0.00 0.61 -0.29 0.00 0.00 176.35 176.64 2otr n GLY 84 N 0.42 0.59 3.26 7.98 0.00 -1.09 -4.78 105.19 111.56 2otr n GLY 84 Ca -0.03 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 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 3.08 0.13 1.61 0.15 -1.26 0.31 113.70 113.71 2otr s SER 85 Ca 0.00 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 55.94 2otr s SER 85 Cb 0.00 -0.99 -0.05 0.00 -1.71 0.00 0.00 66.02 63.27 2otr s SER 85 CO 0.00 0.22 1.78 1.12 1.20 0.00 0.00 173.24 177.56 2otr h HIS 86 N 6.23 0.28 -0.08 3.44 2.07 -1.97 0.13 115.15 125.26 2otr h HIS 86 Ca -0.28 0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.19 2otr h HIS 86 Cb 1.19 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 31.07 2otr h HIS 86 CO 0.44 0.17 -0.18 0.66 -3.07 0.00 0.00 177.93 175.95 2otr h SER 87 N 0.31 0.12 0.20 3.10 4.64 -1.96 -1.11 113.55 118.85 2otr h SER 87 Ca 0.09 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2otr h SER 87 Cb -0.02 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2otr h SER 87 CO -0.03 0.32 -0.10 -0.08 -0.87 0.00 0.00 176.83 176.07 2otr h GLU 88 N 0.12 -0.26 -0.26 4.77 4.57 -1.82 -3.26 114.58 118.45 2otr h GLU 88 Ca 0.02 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2otr h GLU 88 Cb 0.40 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2otr h GLU 88 CO 0.03 0.07 0.18 -0.07 -1.18 0.00 0.00 179.01 178.03 2otr h LEU 89 N -0.97 0.08 0.00 1.64 4.07 -0.74 -3.50 115.31 115.90 2otr h LEU 89 Ca -0.03 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2otr h LEU 89 Cb 0.45 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2otr h LEU 89 CO 0.05 0.06 0.00 0.49 -1.08 0.00 0.00 178.44 177.95