#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otr s LEU 2 N 0.00 2.08 0.00 4.03 1.02 -1.26 -4.95 118.68 119.60 2otr s LEU 2 Ca 0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 2otr s LEU 2 Cb 0.00 -1.13 0.01 0.00 0.02 0.00 0.00 46.19 45.09 2otr s LEU 2 CO 0.00 0.25 0.03 0.41 0.02 0.00 0.00 176.35 177.06 2otr n THR 3 N 2.30 0.00 -4.48 5.49 -1.04 -1.12 -4.43 114.28 110.99 2otr n THR 3 Ca -0.16 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.64 2otr n THR 3 Cb 0.52 -0.04 -0.15 0.00 -1.82 0.00 0.00 70.33 68.84 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 -0.90 0.91 0.32 12.58 1.09 -1.26 -0.83 121.20 133.12 2otr s ILE 4 Ca 0.03 -0.44 0.04 0.00 -1.10 0.00 0.00 60.65 59.17 2otr s ILE 4 Cb -0.00 -0.80 -0.06 0.00 -1.06 0.00 0.00 42.46 40.53 2otr s ILE 4 CO 0.02 0.28 0.06 -1.61 -0.10 0.00 0.00 174.94 173.59 2otr s GLU 5 N 0.11 1.65 0.16 2.79 0.41 0.45 -4.88 118.70 119.39 2otr s GLU 5 Ca -0.02 -1.91 0.00 0.00 -0.41 0.00 0.00 54.97 52.63 2otr s GLU 5 Cb -0.09 -0.85 -0.04 0.00 -1.78 0.00 0.00 34.13 31.38 2otr s GLU 5 CO 0.01 -0.19 0.04 0.95 -0.49 0.00 0.00 175.26 175.58 2otr s THR 6 N -3.31 0.34 0.22 3.63 -4.23 -1.26 -2.96 115.64 108.08 2otr s THR 6 Ca 0.37 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 2otr s THR 6 Cb 0.09 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 2otr s THR 6 CO 0.15 -0.40 0.09 -1.54 -0.54 0.00 0.00 174.62 172.38 2otr n SER 7 N -0.19 0.99 0.04 3.99 3.41 -1.26 -4.87 113.62 115.73 2otr n SER 7 Ca -0.05 -2.21 -0.12 0.00 -0.26 0.00 0.00 58.87 56.24 2otr n SER 7 Cb 0.64 0.60 -0.09 0.00 -0.26 0.00 0.00 64.21 65.10 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 -0.16 -0.54 4.33 6.56 -1.96 -3.04 116.57 121.76 2otr h LYS 8 Ca -0.17 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.40 2otr h LYS 8 Cb 0.67 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.35 2otr h LYS 8 CO 0.27 0.31 0.21 0.87 -2.06 0.00 0.00 179.45 179.06 2otr h LYS 9 N -0.77 0.78 -0.35 3.15 1.57 -1.99 -2.10 116.57 116.86 2otr h LYS 9 Ca -0.02 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2otr h LYS 9 Cb 0.55 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2otr h LYS 9 CO 0.03 0.64 0.23 0.35 -0.57 0.00 0.00 179.45 180.13 2otr h PHE 10 N 0.77 0.40 -0.32 -1.35 3.57 -1.49 -1.27 116.94 117.26 2otr h PHE 10 Ca 0.18 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.53 2otr h PHE 10 Cb 0.16 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2otr h PHE 10 CO 0.01 0.24 -0.44 0.22 -2.23 0.00 0.00 178.31 176.11 2otr h ASP 11 N 0.42 0.94 0.45 0.41 3.58 -1.26 -2.77 116.42 118.20 2otr h ASP 11 Ca 0.13 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2otr h ASP 11 Cb 0.02 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.81 2otr h ASP 11 CO -0.03 1.26 0.00 0.29 -2.88 0.00 0.00 179.24 177.88 2otr n LYS 12 N -4.08 0.46 -0.08 0.28 5.02 -0.78 -3.41 118.16 115.57 2otr n LYS 12 Ca -0.04 0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 2otr n LYS 12 Cb 0.57 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 2otr n LYS 12 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2otr n ASP 13 N -1.25 1.83 -0.25 4.39 8.00 -0.55 -4.10 116.55 124.63 2otr n ASP 13 Ca 0.14 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.32 2otr n ASP 13 Cb 0.20 -0.91 0.38 0.00 -0.02 0.00 0.00 41.12 40.78 2otr n ASP 13 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2otr h LEU 14 N -1.00 0.64 -1.97 0.64 -0.00 -1.60 0.59 115.31 112.61 2otr h LEU 14 Ca -0.12 0.03 0.03 0.00 -0.00 0.00 0.00 57.88 57.82 2otr h LEU 14 Cb 0.78 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 2otr h LEU 14 CO -0.08 0.34 0.10 0.07 -0.00 0.00 0.00 178.44 178.87 2otr h LYS 15 N 0.68 0.04 0.01 1.13 2.10 -1.74 0.56 116.57 119.35 2otr h LYS 15 Ca 0.42 -0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.83 2otr h LYS 15 Cb 0.65 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.94 2otr h LYS 15 CO -0.18 0.02 -1.20 0.82 -2.00 0.00 0.00 179.45 176.91 2otr h ILE 16 N 0.04 1.48 0.22 0.07 1.08 -1.04 -3.23 117.51 116.13 2otr h ILE 16 Ca 0.06 -3.22 -0.34 0.00 -0.39 0.00 0.00 64.86 60.98 2otr h ILE 16 Cb 0.20 2.75 0.03 0.00 -3.07 0.00 0.00 36.82 36.73 2otr h ILE 16 CO -0.00 0.85 -1.56 -0.07 -0.69 0.00 0.00 178.15 176.68 2otr h LEU 17 N 0.01 0.74 -1.66 1.44 3.38 -0.79 -3.04 115.31 115.40 2otr h LEU 17 Ca -0.09 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 57.01 2otr h LEU 17 Cb 1.85 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 2otr h LEU 17 CO 0.12 1.71 0.24 1.62 0.09 0.00 0.00 178.44 182.22 2otr h VAL 18 N 0.13 1.08 0.00 1.22 3.04 -0.05 -1.46 116.25 120.21 2otr h VAL 18 Ca -0.28 -0.16 -0.20 0.00 -1.01 0.00 0.00 66.70 65.05 2otr h VAL 18 Cb 2.14 0.57 -0.03 0.00 -2.01 0.00 0.00 31.29 31.96 2otr h VAL 18 CO 0.24 0.09 -0.95 0.50 -1.01 0.00 0.00 177.57 176.44 2otr h LYS 19 N 0.47 0.00 -0.96 4.17 3.64 -1.64 -3.23 116.57 119.02 2otr h LYS 19 Ca 0.14 -0.01 -0.43 0.00 -1.27 0.00 0.00 60.65 59.08 2otr h LYS 19 Cb -0.01 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 31.55 2otr h LYS 19 CO -0.03 0.95 0.55 0.09 -2.27 0.00 0.00 179.45 178.73 2otr n ASN 20 N -3.42 3.85 -0.97 4.20 3.02 -0.62 -4.93 115.26 116.39 2otr n ASN 20 Ca -0.00 -3.42 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 2otr n ASN 20 Cb 0.89 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2otr n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2otr n GLY 21 N -0.86 -1.86 3.15 7.41 0.00 -0.75 -4.99 105.19 107.29 2otr n GLY 21 Ca 0.52 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.31 0.00 1.61 2.19 -1.10 -4.73 117.98 115.64 2otr s PHE 22 Ca 0.00 0.20 0.00 0.00 0.33 0.00 0.00 56.93 57.46 2otr s PHE 22 Cb 0.00 0.06 0.00 0.00 -1.31 0.00 0.00 43.02 41.77 2otr s PHE 22 CO 0.00 -0.18 0.00 -3.47 1.83 0.00 0.00 175.22 173.40 2otr n ASP 23 N 5.13 -1.56 -0.01 6.13 2.03 -1.26 -4.18 116.55 122.84 2otr n ASP 23 Ca 0.07 -0.01 -0.01 0.00 0.52 0.00 0.00 54.79 55.36 2otr n ASP 23 Cb 0.58 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.97 2otr n ASP 23 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2otr n LEU 24 N 0.00 2.98 0.22 -2.67 7.99 -1.26 -4.68 117.00 119.58 2otr n LEU 24 Ca 0.00 -0.01 0.08 0.00 -0.01 0.00 0.00 56.01 56.07 2otr n LEU 24 Cb 0.00 -0.06 0.53 0.00 -0.11 0.00 0.00 43.42 43.78 2otr n LEU 24 CO 0.00 0.52 0.85 0.11 -1.51 0.00 0.00 177.39 177.36 2otr h LYS 25 N 0.00 0.00 -0.84 3.23 1.57 -2.00 -2.90 116.57 115.62 2otr h LYS 25 Ca -0.04 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2otr h LYS 25 Cb 1.06 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 2otr h LYS 25 CO -0.01 0.24 0.53 1.37 -0.57 0.00 0.00 179.45 181.01 2otr h LEU 26 N 0.00 0.86 -1.55 2.94 8.10 -1.98 -1.14 115.31 122.53 2otr h LEU 26 Ca -0.00 0.01 -0.05 0.00 0.11 0.00 0.00 57.88 57.95 2otr h LEU 26 Cb 0.52 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 2otr h LEU 26 CO 0.03 0.57 -0.22 0.25 -4.11 0.00 0.00 178.44 174.96 2otr h LEU 27 N 1.00 0.01 -0.74 0.17 5.85 -1.80 0.12 115.31 119.91 2otr h LEU 27 Ca 0.35 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.96 2otr h LEU 27 Cb 0.09 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2otr h LEU 27 CO -0.14 0.23 -0.51 1.88 -0.34 0.00 0.00 178.44 179.55 2otr h TYR 28 N 0.01 0.00 0.01 1.25 0.05 -1.30 -2.71 116.97 114.28 2otr h TYR 28 Ca -0.00 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.49 2otr h TYR 28 Cb 0.39 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.09 2otr h TYR 28 CO 0.00 0.51 -1.64 0.87 -1.05 0.00 0.00 178.16 176.85 2otr h LYS 29 N 0.00 0.02 0.00 4.88 6.56 -0.87 -3.33 116.57 123.83 2otr h LYS 29 Ca -0.01 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2otr h LYS 29 Cb 1.06 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 2otr h LYS 29 CO 0.07 0.60 0.00 0.28 -2.06 0.00 0.00 179.45 178.34 2otr h VAL 30 N 0.01 0.00 -0.84 0.50 2.07 -0.98 -3.22 116.25 113.79 2otr h VAL 30 Ca -0.26 -0.60 0.24 0.00 0.82 0.00 0.00 66.70 66.90 2otr h VAL 30 Cb 1.99 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 2otr h VAL 30 CO 0.09 0.00 0.71 -0.37 0.02 0.00 0.00 177.57 178.02 2otr h VAL 31 N 0.00 0.38 0.00 2.57 -1.51 -1.59 0.60 116.25 116.69 2otr h VAL 31 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.37 2otr h VAL 31 Cb 0.68 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 2otr h VAL 31 CO 0.00 0.00 -0.46 1.23 -1.23 0.00 0.00 177.57 177.11 2otr h GLY 32 N 0.00 0.00 1.30 5.19 0.00 -1.82 -3.02 103.07 104.72 2otr h GLY 32 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.50 2otr h GLY 32 CO -0.00 0.00 -1.37 3.43 0.00 0.00 0.00 176.54 178.60 2otr h ASN 33 N 0.00 0.00 -0.37 0.19 2.35 -0.07 -3.13 115.58 114.55 2otr h ASN 33 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2otr h ASN 33 Cb 0.97 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 2otr h ASN 33 CO 0.06 0.85 0.06 -0.07 -1.65 0.00 0.00 177.43 176.69 2otr h LEU 34 N 0.00 0.58 -0.41 1.61 3.38 -1.30 0.84 115.31 120.02 2otr h LEU 34 Ca -0.17 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.36 2otr h LEU 34 Cb 1.80 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 2otr h LEU 34 CO 0.08 0.69 -0.69 0.00 0.09 0.00 0.00 178.44 178.62 2otr h ALA 35 N 0.91 0.59 0.04 1.53 0.00 -1.67 -3.29 119.26 117.37 2otr h ALA 35 Ca 0.11 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 2otr h ALA 35 Cb 0.35 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2otr h ALA 35 CO 0.01 0.73 -0.58 1.79 0.00 0.00 0.00 179.25 181.20 2otr h THR 36 N 0.35 1.49 -5.41 0.00 1.35 -1.47 -3.49 112.91 105.73 2otr h THR 36 Ca -0.02 -2.20 -0.27 0.00 -0.55 0.00 0.00 66.41 63.36 2otr h THR 36 Cb 1.26 2.84 0.18 0.00 -1.73 0.00 0.00 68.15 70.70 2otr h THR 36 CO 0.12 0.63 -0.79 -0.62 -0.25 0.00 0.00 175.52 174.61 2otr n GLU 37 N -4.25 -3.85 -0.10 4.72 1.02 0.29 -4.98 120.64 113.49 2otr n GLU 37 Ca -0.11 0.83 -0.19 0.00 -0.02 0.00 0.00 57.16 57.66 2otr n GLU 37 Cb 0.68 -5.69 -0.09 0.00 -0.02 0.00 0.00 31.44 26.32 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 -3.50 0.55 0.00 3.49 6.02 -1.26 -4.84 117.38 117.84 2otr n GLN 38 Ca -0.15 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 2otr n GLN 38 Cb 0.63 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.95 -1.09 -0.04 -1.26 -4.93 135.00 121.29 2otr n PRO 39 Ca -0.30 0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.04 2otr n PRO 39 Cb 0.63 -0.50 -0.05 0.00 -0.04 0.00 0.00 33.50 33.54 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 -0.91 -1.54 -1.49 1.53 4.77 -1.26 -4.49 117.00 113.61 2otr n LEU 40 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2otr n LEU 40 Cb 0.00 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 38.42 2otr n LEU 40 CO 0.00 -0.60 -0.42 0.00 -1.33 0.00 0.00 177.39 175.04 2otr n ALA 41 N -0.40 -1.95 0.23 -1.18 0.00 -1.16 -2.04 120.51 114.01 2otr n ALA 41 Ca -0.20 0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.78 2otr n ALA 41 Cb 0.64 -1.34 0.37 0.00 0.00 0.00 0.00 19.45 19.12 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 1.69 0.00 -1.02 0.00 0.13 -1.93 -2.33 132.00 128.53 2otr h PRO 42 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 2otr h PRO 42 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 2otr h PRO 42 CO 0.00 0.07 0.61 0.36 -0.23 0.00 0.00 178.00 178.81 2otr n LYS 43 N -3.14 2.17 0.00 0.86 0.00 -1.26 -4.63 118.16 112.15 2otr n LYS 43 Ca 0.02 -2.70 0.00 0.00 -0.00 0.00 0.00 58.31 55.63 2otr n LYS 43 Cb 0.46 -2.06 0.00 0.00 -0.00 0.00 0.00 35.03 33.43 2otr n LYS 43 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2otr n TYR 44 N -0.91 -2.04 -1.44 5.58 4.01 -1.20 -5.10 117.16 116.06 2otr n TYR 44 Ca 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 2otr n TYR 44 Cb 1.40 0.46 0.00 0.00 -0.31 0.00 0.00 39.34 40.89 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 -2.37 -4.14 -1.48 -0.72 4.76 -0.87 -4.94 118.16 108.41 2otr n LYS 45 Ca 0.00 3.09 -0.31 0.00 -2.87 0.00 0.00 58.31 58.22 2otr n LYS 45 Cb 0.00 -3.47 0.08 0.00 -1.84 0.00 0.00 35.03 29.80 2otr n LYS 45 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2otr s ASP 46 N -3.28 4.77 -0.05 4.39 2.15 -1.26 -4.72 116.67 118.67 2otr s ASP 46 Ca 0.00 1.55 -0.29 0.00 0.43 0.00 0.00 52.55 54.24 2otr s ASP 46 Cb 0.00 -2.33 0.10 0.00 -0.30 0.00 0.00 42.92 40.39 2otr s ASP 46 CO 0.00 -1.82 0.84 -1.00 -0.17 0.00 0.00 175.17 173.01 2otr s HIS 47 N -3.04 -0.45 0.84 -5.34 3.76 -1.26 -5.05 115.29 104.75 2otr s HIS 47 Ca 0.60 0.59 -0.10 0.00 -0.15 0.00 0.00 55.06 56.00 2otr s HIS 47 Cb -0.15 0.48 0.10 0.00 1.11 0.00 0.00 32.58 34.12 2otr s HIS 47 CO 0.55 -0.53 1.12 -1.25 -0.85 0.00 0.00 174.74 173.78 2otr s PRO 48 N -2.06 1.63 -0.18 8.40 0.04 -1.26 -4.09 135.00 137.47 2otr s PRO 48 Ca -0.02 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 2otr s PRO 48 Cb -0.01 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 2otr s PRO 48 CO -0.01 -2.14 -0.30 1.28 0.04 0.00 0.00 177.00 175.87 2otr n LEU 49 N -3.88 1.91 -4.28 -3.56 4.77 -1.24 -4.95 117.00 105.77 2otr n LEU 49 Ca 0.10 0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 56.31 2otr n LEU 49 Cb 0.53 -0.78 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 2otr n LEU 49 CO 0.51 -0.23 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.37 2otr s LYS 50 N -2.72 1.13 -0.24 3.23 1.02 -1.26 -5.11 119.74 115.80 2otr s LYS 50 Ca -0.27 -1.39 -0.15 0.00 0.02 0.00 0.00 55.97 54.18 2otr s LYS 50 Cb 0.05 -0.92 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 2otr s LYS 50 CO 0.39 0.16 0.36 0.20 -0.92 0.00 0.00 175.35 175.54 2otr s GLY 51 N -2.86 1.98 0.00 -3.33 0.00 -1.26 -3.46 107.32 98.39 2otr s GLY 51 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.17 2otr s GLY 51 CO 0.04 0.84 0.00 0.61 0.00 0.00 0.00 173.10 174.58 2otr n GLY 52 N 4.31 1.27 1.16 0.20 0.00 -1.26 -4.92 105.19 105.94 2otr n GLY 52 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2otr n GLY 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2otr n LEU 53 N 0.00 0.33 -2.46 0.99 -0.00 -1.26 -5.03 117.00 109.57 2otr n LEU 53 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 2otr n LEU 53 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 2otr n LEU 53 CO 0.00 -0.16 -0.23 0.29 -0.00 0.00 0.00 177.39 177.29 2otr n LYS 54 N -2.48 -2.01 -0.03 1.47 5.02 -1.23 -4.88 118.16 114.02 2otr n LYS 54 Ca 0.00 0.92 -0.15 0.00 -2.02 0.00 0.00 58.31 57.06 2otr n LYS 54 Cb 0.20 -5.59 -0.12 0.00 -0.02 0.00 0.00 35.03 29.51 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 -0.10 0.19 -3.56 4.39 5.19 -1.93 -3.45 116.42 117.15 2otr h ASP 55 Ca -0.46 -0.80 -0.52 0.00 -0.62 0.00 0.00 57.03 54.63 2otr h ASP 55 Cb 1.34 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.76 2otr h ASP 55 CO 0.54 0.96 0.02 -0.36 -3.12 0.00 0.00 179.24 177.28 2otr s PHE 56 N -3.04 3.48 -0.12 4.55 0.40 -1.26 -3.86 117.98 118.13 2otr s PHE 56 Ca -0.16 1.15 -0.29 0.00 -0.60 0.00 0.00 56.93 57.03 2otr s PHE 56 Cb 0.00 -2.46 0.08 0.00 0.51 0.00 0.00 43.02 41.15 2otr s PHE 56 CO 0.73 0.24 0.72 0.50 0.70 0.00 0.00 175.22 178.12 2otr s ARG 57 N -2.55 0.95 -0.15 0.44 3.52 -0.98 -3.67 118.95 116.52 2otr s ARG 57 Ca 0.47 0.46 -0.00 0.00 -0.13 0.00 0.00 55.73 56.54 2otr s ARG 57 Cb -0.13 0.45 0.03 0.00 -1.56 0.00 0.00 34.95 33.75 2otr s ARG 57 CO 0.19 -0.25 -0.09 -2.00 -0.81 0.00 0.00 175.30 172.35 2otr s GLU 58 N -0.72 1.74 0.51 5.12 2.12 -1.26 -1.42 118.70 124.80 2otr s GLU 58 Ca -0.07 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 54.80 2otr s GLU 58 Cb -0.02 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.41 2otr s GLU 58 CO 0.07 -0.34 0.19 0.00 -0.54 0.00 0.00 175.26 174.64 2otr s HIS 60 N -2.80 2.68 0.35 0.00 3.76 -1.26 -1.30 115.29 116.72 2otr s HIS 60 Ca 0.22 -2.86 0.08 0.00 -0.15 0.00 0.00 55.06 52.35 2otr s HIS 60 Cb 0.00 -2.43 0.65 0.00 1.11 0.00 0.00 32.58 31.92 2otr s HIS 60 CO 0.13 -0.76 1.84 1.37 -0.85 0.00 0.00 174.74 176.47 2otr h LEU 61 N 6.60 0.26 -8.46 0.89 8.10 -1.82 -3.07 115.31 117.81 2otr h LEU 61 Ca -0.05 -0.07 -0.20 0.00 0.11 0.00 0.00 57.88 57.67 2otr h LEU 61 Cb 0.91 -0.07 -0.15 0.00 -0.44 0.00 0.00 40.66 40.91 2otr h LEU 61 CO 0.60 0.49 -0.65 -0.54 -4.11 0.00 0.00 178.44 174.23 2otr s LYS 62 N -4.56 0.95 0.20 0.17 1.02 -1.26 -4.58 119.74 111.70 2otr s LYS 62 Ca -0.05 -1.45 -0.32 0.00 0.02 0.00 0.00 55.97 54.17 2otr s LYS 62 Cb 0.15 0.16 -0.11 0.00 -0.52 0.00 0.00 37.83 37.51 2otr s LYS 62 CO 0.75 -0.24 1.64 -1.25 -0.92 0.00 0.00 175.35 175.33 2otr s PRO 63 N -4.03 4.16 -1.65 -1.68 0.04 -1.26 -1.99 135.00 128.59 2otr s PRO 63 Ca 0.24 2.50 -0.01 0.00 0.04 0.00 0.00 61.00 63.77 2otr s PRO 63 Cb 0.07 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2otr s PRO 63 CO 0.02 -0.67 0.12 -0.25 0.04 0.00 0.00 177.00 176.25 2otr n ASP 64 N 3.78 -5.73 -3.66 6.66 8.00 -1.26 -4.98 116.55 119.37 2otr n ASP 64 Ca 0.14 -0.07 -0.21 0.00 0.71 0.00 0.00 54.79 55.36 2otr n ASP 64 Cb 0.37 -4.71 -0.18 0.00 -0.02 0.00 0.00 41.12 36.58 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2otr s LEU 65 N -5.83 0.17 0.61 0.64 1.02 -0.84 -4.16 118.68 110.27 2otr s LEU 65 Ca 0.06 -0.04 0.06 0.00 0.02 0.00 0.00 54.13 54.24 2otr s LEU 65 Cb -0.03 -0.14 0.09 0.00 0.02 0.00 0.00 46.19 46.14 2otr s LEU 65 CO 0.07 -0.27 0.83 -0.76 0.02 0.00 0.00 176.35 176.25 2otr s LEU 66 N 2.17 3.11 -0.29 1.79 1.02 0.53 -3.69 118.68 123.32 2otr s LEU 66 Ca 0.04 -0.67 -0.02 0.00 0.02 0.00 0.00 54.13 53.51 2otr s LEU 66 Cb -0.13 -1.82 0.19 0.00 0.02 0.00 0.00 46.19 44.46 2otr s LEU 66 CO -0.04 -1.45 0.76 -0.22 0.02 0.00 0.00 176.35 175.42 2otr s LEU 67 N -4.78 -1.16 -0.22 1.79 0.20 -0.42 -2.73 118.68 111.37 2otr s LEU 67 Ca 0.63 0.26 -0.16 0.00 0.69 0.00 0.00 54.13 55.55 2otr s LEU 67 Cb -0.06 1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 47.45 2otr s LEU 67 CO 0.40 -0.21 0.39 -0.69 -0.29 0.00 0.00 176.35 175.95 2otr s VAL 68 N 2.88 5.19 0.05 1.68 1.01 -0.57 -2.01 120.40 128.63 2otr s VAL 68 Ca 0.15 0.68 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 2otr s VAL 68 Cb -0.08 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2otr s VAL 68 CO -0.23 0.23 0.01 -0.72 0.00 0.00 0.00 175.10 174.39 2otr s TYR 69 N 1.47 0.41 -0.13 5.22 -0.85 -0.51 0.15 117.35 123.11 2otr s TYR 69 Ca 0.18 -0.87 -0.03 0.00 -0.52 0.00 0.00 57.07 55.83 2otr s TYR 69 Cb -0.15 -0.30 0.05 0.00 0.38 0.00 0.00 41.96 41.94 2otr s TYR 69 CO 0.08 -0.37 0.05 -1.14 -1.52 0.00 0.00 175.55 172.65 2otr s GLN 70 N -3.40 0.35 -0.01 -3.49 0.74 0.94 -2.31 119.66 112.48 2otr s GLN 70 Ca 0.02 -0.06 -0.25 0.00 0.05 0.00 0.00 55.36 55.12 2otr s GLN 70 Cb 0.04 -1.50 -0.04 0.00 1.10 0.00 0.00 33.01 32.61 2otr s GLN 70 CO -0.08 -0.52 0.76 0.42 -0.55 0.00 0.00 175.29 175.32 2otr s ILE 71 N 2.02 4.89 -0.45 -2.34 1.09 -1.25 -2.66 121.20 122.50 2otr s ILE 71 Ca 0.02 1.60 -0.09 0.00 -1.10 0.00 0.00 60.65 61.08 2otr s ILE 71 Cb -0.15 -4.11 0.10 0.00 -1.06 0.00 0.00 42.46 37.25 2otr s ILE 71 CO -0.07 0.29 0.31 -1.59 -0.10 0.00 0.00 174.94 173.78 2otr s LYS 72 N 0.45 2.55 0.62 2.79 0.00 -0.87 -4.94 119.74 120.35 2otr s LYS 72 Ca 0.40 -1.61 0.34 0.00 0.00 0.00 0.00 55.97 55.10 2otr s LYS 72 Cb -0.19 -3.87 2.00 0.00 0.00 0.00 0.00 37.83 35.77 2otr s LYS 72 CO 0.21 -1.08 2.26 0.87 0.00 0.00 0.00 175.35 177.62 2otr h LYS 73 N 8.44 0.00 -0.92 1.78 1.57 -1.96 0.36 116.57 125.84 2otr h LYS 73 Ca -0.22 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 58.79 2otr h LYS 73 Cb 1.08 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 2otr h LYS 73 CO 0.81 0.00 0.62 -0.56 -0.57 0.00 0.00 179.45 179.76 2otr h GLN 74 N 0.00 0.26 0.00 3.15 3.07 -1.98 -3.10 115.11 116.51 2otr h GLN 74 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2otr h GLN 74 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.59 2otr h GLN 74 CO -0.00 0.17 -0.26 -0.85 0.09 0.00 0.00 178.83 177.98 2otr n GLU 75 N -4.45 0.00 -3.50 0.06 0.28 -0.86 -5.06 120.64 107.12 2otr n GLU 75 Ca 0.20 -0.62 -0.20 0.00 -0.16 0.00 0.00 57.16 56.37 2otr n GLU 75 Cb 0.81 -0.36 0.01 0.00 1.43 0.00 0.00 31.44 33.33 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 -5.90 -4.09 -1.84 4.13 0.12 -4.83 115.26 102.84 2otr n ASN 76 Ca 0.00 -0.49 -0.20 0.00 1.68 0.00 0.00 54.58 55.57 2otr n ASN 76 Cb 0.60 -2.82 -0.14 0.00 -1.54 0.00 0.00 39.78 35.89 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 -2.69 0.95 -0.85 3.41 2.01 -1.10 -2.81 115.64 114.56 2otr s THR 77 Ca 0.09 -0.72 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 2otr s THR 77 Cb -0.01 -0.83 0.19 0.00 0.01 0.00 0.00 72.50 71.85 2otr s THR 77 CO 0.85 0.11 0.86 -0.22 -0.69 0.00 0.00 174.62 175.53 2otr s LEU 78 N -0.69 6.27 -0.51 4.42 2.96 -0.01 -2.04 118.68 129.08 2otr s LEU 78 Ca 0.02 -2.49 -0.21 0.00 -0.22 0.00 0.00 54.13 51.24 2otr s LEU 78 Cb -0.06 -2.26 0.05 0.00 0.50 0.00 0.00 46.19 44.41 2otr s LEU 78 CO 0.00 -0.72 0.71 0.12 -1.32 0.00 0.00 176.35 175.15 2otr s PHE 79 N 0.90 2.98 1.03 5.38 5.36 -1.09 -0.41 117.98 132.14 2otr s PHE 79 Ca 0.22 -0.31 -0.17 0.00 -0.96 0.00 0.00 56.93 55.70 2otr s PHE 79 Cb -0.09 -3.65 0.26 0.00 -0.34 0.00 0.00 43.02 39.20 2otr s PHE 79 CO -0.09 -1.09 0.76 1.28 -1.46 0.00 0.00 175.22 174.63 2otr n LEU 80 N 6.53 0.00 0.15 6.12 7.99 -1.15 -0.04 117.00 136.60 2otr n LEU 80 Ca -0.03 -0.80 0.00 0.00 -0.01 0.00 0.00 56.01 55.17 2otr n LEU 80 Cb 0.46 -0.77 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 2otr n LEU 80 CO 0.57 -2.19 0.00 0.52 -1.51 0.00 0.00 177.39 174.78 2otr n VAL 81 N -4.71 0.00 -4.41 4.08 0.31 0.40 -4.49 118.33 109.50 2otr n VAL 81 Ca 0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.24 2otr n VAL 81 Cb 0.46 -0.12 -0.10 0.00 -0.91 0.00 0.00 33.84 33.17 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 -1.70 1.53 -0.30 5.55 0.52 -0.67 -2.17 118.95 121.72 2otr s ARG 82 Ca 0.00 -1.80 -0.18 0.00 -0.52 0.00 0.00 55.73 53.23 2otr s ARG 82 Cb 0.00 -0.96 0.20 0.00 0.52 0.00 0.00 34.95 34.72 2otr s ARG 82 CO 0.00 -0.06 1.30 -1.17 0.02 0.00 0.00 175.30 175.39 2otr s LEU 83 N -3.43 -0.08 0.00 2.53 0.20 -1.26 -1.51 118.68 115.13 2otr s LEU 83 Ca 0.31 0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.26 2otr s LEU 83 Cb 0.06 1.12 0.00 0.00 -0.43 0.00 0.00 46.19 46.94 2otr s LEU 83 CO 0.12 -0.02 0.00 0.61 -0.29 0.00 0.00 176.35 176.77 2otr n GLY 84 N 2.72 0.39 3.18 7.98 0.00 -1.10 -4.54 105.19 113.81 2otr n GLY 84 Ca -0.15 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 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 1.83 0.22 1.61 0.15 -1.26 -0.34 113.70 111.90 2otr s SER 85 Ca 0.00 -0.56 -0.06 0.00 0.70 0.00 0.00 55.95 56.02 2otr s SER 85 Cb 0.00 -0.09 0.20 0.00 -1.71 0.00 0.00 66.02 64.42 2otr s SER 85 CO 0.00 -0.01 1.75 1.12 1.20 0.00 0.00 173.24 177.30 2otr h HIS 86 N 4.52 1.10 -0.07 3.44 2.07 -1.98 -2.40 115.15 121.82 2otr h HIS 86 Ca -0.41 -0.12 -0.07 0.00 -2.85 0.00 0.00 60.37 56.92 2otr h HIS 86 Cb 1.18 -0.31 -0.01 0.00 2.57 0.00 0.00 27.41 30.84 2otr h HIS 86 CO 0.59 0.90 -0.29 0.66 -3.07 0.00 0.00 177.93 176.72 2otr h SER 87 N 1.00 0.13 0.18 3.10 4.64 -1.96 -1.57 113.55 119.07 2otr h SER 87 Ca 0.21 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2otr h SER 87 Cb 0.35 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2otr h SER 87 CO 0.00 0.42 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.22 2otr h GLU 88 N 0.12 -0.23 0.08 4.77 4.57 -1.86 -3.28 114.58 118.74 2otr h GLU 88 Ca 0.02 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2otr h GLU 88 Cb 0.57 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2otr h GLU 88 CO 0.04 0.15 -0.04 -0.07 -1.18 0.00 0.00 179.01 177.91 2otr h LEU 89 N -0.67 -0.09 0.00 1.64 4.07 -1.40 -3.50 115.31 115.37 2otr h LEU 89 Ca -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2otr h LEU 89 Cb 0.48 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2otr h LEU 89 CO 0.04 -0.05 0.00 0.49 -1.08 0.00 0.00 178.44 177.84