#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 1.42 0.00 -0.89 1.02 -1.26 -4.85 118.68 114.12 2otr s LEU 2 Ca 0.00 0.03 -0.18 0.00 0.02 0.00 0.00 54.13 54.01 2otr s LEU 2 Cb 0.00 0.69 0.27 0.00 0.02 0.00 0.00 46.19 47.17 2otr s LEU 2 CO 0.00 -0.26 0.62 0.41 0.02 0.00 0.00 176.35 177.14 2otr n THR 3 N 2.04 0.00 -4.12 5.49 -1.04 -0.93 -4.37 114.28 111.34 2otr n THR 3 Ca -0.19 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.56 2otr n THR 3 Cb 0.57 -0.70 -0.17 0.00 -1.82 0.00 0.00 70.33 68.21 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 -1.79 1.12 0.35 12.58 1.09 -1.26 0.10 121.20 133.38 2otr s ILE 4 Ca 0.48 -0.38 0.08 0.00 -1.10 0.00 0.00 60.65 59.73 2otr s ILE 4 Cb -0.08 -1.09 -0.07 0.00 -1.06 0.00 0.00 42.46 40.16 2otr s ILE 4 CO 0.40 0.37 -0.07 -1.61 -0.10 0.00 0.00 174.94 173.94 2otr s GLU 5 N 1.37 1.80 0.06 2.79 0.41 0.40 -4.92 118.70 120.61 2otr s GLU 5 Ca -0.01 -1.95 0.03 0.00 -0.41 0.00 0.00 54.97 52.63 2otr s GLU 5 Cb -0.14 -1.59 -0.03 0.00 -1.78 0.00 0.00 34.13 30.60 2otr s GLU 5 CO -0.05 0.08 -0.10 0.95 -0.49 0.00 0.00 175.26 175.66 2otr s THR 6 N -2.71 0.72 0.55 3.63 -4.23 -1.26 -1.92 115.64 110.43 2otr s THR 6 Ca 0.33 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.70 2otr s THR 6 Cb 0.04 -0.82 0.06 0.00 1.34 0.00 0.00 72.50 73.12 2otr s THR 6 CO 0.16 -0.37 0.57 -0.55 -0.54 0.00 0.00 174.62 173.89 2otr s SER 7 N -1.73 4.85 0.03 3.99 0.15 -1.26 -4.92 113.70 114.81 2otr s SER 7 Ca -0.06 -1.06 -0.21 0.00 0.70 0.00 0.00 55.95 55.32 2otr s SER 7 Cb -0.09 0.34 -0.15 0.00 -1.71 0.00 0.00 66.02 64.41 2otr s SER 7 CO 0.01 -1.20 1.35 0.11 1.20 0.00 0.00 173.24 174.72 2otr h LYS 8 N 0.51 0.28 -0.09 5.44 1.79 -1.94 -2.52 116.57 120.03 2otr h LYS 8 Ca -0.34 -0.14 -0.10 0.00 -2.18 0.00 0.00 60.65 57.90 2otr h LYS 8 Cb 1.30 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2otr h LYS 8 CO 0.50 0.66 -0.39 0.87 -1.08 0.00 0.00 179.45 180.01 2otr h LYS 9 N -0.09 0.19 -0.62 3.15 1.79 -1.97 -2.95 116.57 116.08 2otr h LYS 9 Ca 0.02 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 2otr h LYS 9 Cb 0.59 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 2otr h LYS 9 CO 0.02 0.56 0.19 0.35 -1.08 0.00 0.00 179.45 179.50 2otr h PHE 10 N 0.17 0.99 0.27 -1.35 3.57 -1.45 -0.71 116.94 118.43 2otr h PHE 10 Ca 0.02 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2otr h PHE 10 Cb 0.76 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2otr h PHE 10 CO 0.01 0.82 -0.13 -0.44 -2.23 0.00 0.00 178.31 176.34 2otr h ASP 11 N 0.88 -0.31 0.60 0.41 3.32 -1.28 -0.71 116.42 119.33 2otr h ASP 11 Ca 0.20 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2otr h ASP 11 Cb 0.29 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2otr h ASP 11 CO -0.01 -0.21 0.00 2.29 -1.72 0.00 0.00 179.24 179.60 2otr n LYS 12 N -5.24 0.10 0.05 3.56 2.85 -1.15 -1.96 118.16 116.36 2otr n LYS 12 Ca -0.10 0.35 0.03 0.00 -1.05 0.00 0.00 58.31 57.54 2otr n LYS 12 Cb 0.17 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.80 2otr n LYS 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2otr n ASP 13 N -1.88 0.87 -0.04 -5.58 8.00 -0.28 -4.10 116.55 113.54 2otr n ASP 13 Ca 0.03 0.37 -0.22 0.00 0.71 0.00 0.00 54.79 55.68 2otr n ASP 13 Cb 0.20 0.23 -0.13 0.00 -0.02 0.00 0.00 41.12 41.39 2otr n ASP 13 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2otr h LEU 14 N 0.00 0.23 -2.01 0.64 5.85 -0.70 -3.35 115.31 115.96 2otr h LEU 14 Ca -0.12 -0.75 0.09 0.00 0.84 0.00 0.00 57.88 57.94 2otr h LEU 14 Cb 1.43 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 2otr h LEU 14 CO 0.03 1.69 0.39 0.07 -0.34 0.00 0.00 178.44 180.29 2otr h LYS 15 N -0.43 0.00 0.00 1.25 2.10 -1.59 0.35 116.57 118.26 2otr h LYS 15 Ca -0.39 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.07 2otr h LYS 15 Cb 1.70 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.00 2otr h LYS 15 CO -0.05 0.00 -0.94 0.82 -2.00 0.00 0.00 179.45 177.28 2otr h ILE 16 N 0.00 1.48 0.14 0.07 1.08 -1.71 -3.18 117.51 115.39 2otr h ILE 16 Ca 0.14 -3.12 -0.34 0.00 -0.39 0.00 0.00 64.86 61.15 2otr h ILE 16 Cb 0.92 2.73 -0.01 0.00 -3.07 0.00 0.00 36.82 37.39 2otr h ILE 16 CO -0.00 0.84 -1.78 -0.07 -0.69 0.00 0.00 178.15 176.45 2otr h LEU 17 N 0.00 0.47 -0.98 1.44 3.38 -0.59 -3.29 115.31 115.74 2otr h LEU 17 Ca -0.03 -0.80 0.03 0.00 0.09 0.00 0.00 57.88 57.18 2otr h LEU 17 Cb 1.70 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.24 2otr h LEU 17 CO 0.11 1.69 0.64 1.62 0.09 0.00 0.00 178.44 182.59 2otr h VAL 18 N 0.08 1.19 0.00 1.22 3.04 -0.84 -1.18 116.25 119.77 2otr h VAL 18 Ca -0.35 -0.43 -0.08 0.00 -1.01 0.00 0.00 66.70 64.83 2otr h VAL 18 Cb 2.06 -0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 2otr h VAL 18 CO 0.14 0.23 -0.38 0.50 -1.01 0.00 0.00 177.57 177.05 2otr h LYS 19 N 1.26 0.00 -0.90 4.17 3.64 -1.69 -2.57 116.57 120.48 2otr h LYS 19 Ca 0.38 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 59.35 2otr h LYS 19 Cb -0.04 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.53 2otr h LYS 19 CO -0.11 0.38 0.51 0.09 -2.27 0.00 0.00 179.45 178.06 2otr n ASN 20 N -4.08 4.03 -1.11 4.20 3.02 -0.52 -4.96 115.26 115.84 2otr n ASN 20 Ca -0.02 -3.50 0.00 0.00 -0.03 0.00 0.00 54.58 51.03 2otr n ASN 20 Cb 0.42 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.85 -2.30 0.00 7.41 0.00 -0.73 -5.00 105.19 103.73 2otr n GLY 21 Ca 0.53 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2otr n GLY 21 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2otr n PHE 22 N 0.29 -0.01 -1.44 1.61 7.35 -1.19 -4.69 117.46 119.38 2otr n PHE 22 Ca 0.00 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 2otr n PHE 22 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 2otr n PHE 22 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2otr n ASP 23 N -0.73 -8.57 -0.23 -2.13 2.03 -1.26 -4.63 116.55 101.03 2otr n ASP 23 Ca 0.00 0.85 0.07 0.00 0.52 0.00 0.00 54.79 56.23 2otr n ASP 23 Cb 0.00 -4.55 0.13 0.00 -0.72 0.00 0.00 41.12 35.98 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 -4.25 2.57 -0.01 -2.67 4.32 -1.26 -4.62 117.00 111.08 2otr n LEU 24 Ca -0.02 -2.76 -0.13 0.00 -0.02 0.00 0.00 56.01 53.08 2otr n LEU 24 Cb 0.68 -0.34 -0.14 0.00 -1.62 0.00 0.00 43.42 42.00 2otr n LEU 24 CO 0.02 0.66 -0.61 1.17 -1.22 0.00 0.00 177.39 177.41 2otr n LYS 25 N -0.94 0.68 0.22 3.23 3.00 -1.26 -3.92 118.16 119.17 2otr n LYS 25 Ca 0.13 0.29 0.05 0.00 -0.00 0.00 0.00 58.31 58.78 2otr n LYS 25 Cb 0.58 -1.77 0.48 0.00 0.00 0.00 0.00 35.03 34.32 2otr n LYS 25 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 2otr h LEU 26 N 0.03 0.00 -0.47 3.14 8.10 -1.82 -1.60 115.31 122.69 2otr h LEU 26 Ca -0.33 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.49 2otr h LEU 26 Cb 2.02 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 42.24 2otr h LEU 26 CO 0.09 0.22 -0.59 0.25 -4.11 0.00 0.00 178.44 174.30 2otr h LEU 27 N 0.00 0.63 -0.39 0.17 5.85 -1.87 0.17 115.31 119.86 2otr h LEU 27 Ca -0.00 -0.35 -0.13 0.00 0.84 0.00 0.00 57.88 58.23 2otr h LEU 27 Cb 0.41 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2otr h LEU 27 CO 0.03 1.08 -0.63 1.88 -0.34 0.00 0.00 178.44 180.46 2otr h TYR 28 N 0.42 0.00 0.03 1.25 0.05 -1.57 -3.02 116.97 114.12 2otr h TYR 28 Ca -0.00 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.50 2otr h TYR 28 Cb 1.15 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.85 2otr h TYR 28 CO 0.05 0.63 -1.53 -0.22 -1.05 0.00 0.00 178.16 176.04 2otr h LYS 29 N 0.00 0.06 0.00 4.88 3.64 -1.22 -3.30 116.57 120.63 2otr h LYS 29 Ca -0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2otr h LYS 29 Cb 1.31 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2otr h LYS 29 CO 0.08 0.76 0.00 1.55 -2.27 0.00 0.00 179.45 179.57 2otr n VAL 30 N -3.21 0.08 -0.28 2.00 3.14 0.60 -3.78 118.33 116.88 2otr n VAL 30 Ca -0.14 0.02 0.05 0.00 -2.96 0.00 0.00 64.34 61.32 2otr n VAL 30 Cb 1.02 -0.56 0.20 0.00 -1.06 0.00 0.00 33.84 33.44 2otr n VAL 30 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 2otr h VAL 31 N 0.00 0.77 0.00 1.55 -1.51 -1.61 0.13 116.25 115.58 2otr h VAL 31 Ca 0.00 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 65.22 2otr h VAL 31 Cb 0.23 0.08 -0.00 0.00 -2.13 0.00 0.00 31.29 29.47 2otr h VAL 31 CO 0.00 0.12 -0.13 1.23 -1.23 0.00 0.00 177.57 177.55 2otr h GLY 32 N 0.63 0.00 1.44 5.19 0.00 -1.84 -1.91 103.07 106.58 2otr h GLY 32 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.70 2otr h GLY 32 CO -0.33 0.00 -0.76 3.43 0.00 0.00 0.00 176.54 178.88 2otr h ASN 33 N 0.00 0.00 0.01 0.19 2.35 -1.07 -3.11 115.58 113.95 2otr h ASN 33 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2otr h ASN 33 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2otr h ASN 33 CO 0.02 0.24 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.82 2otr h LEU 34 N 0.00 0.12 -0.93 1.61 3.38 -0.36 0.89 115.31 120.03 2otr h LEU 34 Ca -0.04 -0.82 -0.08 0.00 0.09 0.00 0.00 57.88 57.03 2otr h LEU 34 Cb 1.22 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2otr h LEU 34 CO 0.02 0.93 -0.11 0.00 0.09 0.00 0.00 178.44 179.37 2otr h ALA 35 N 0.20 1.10 0.11 1.53 0.00 -1.56 -3.23 119.26 117.41 2otr h ALA 35 Ca -0.02 -0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.28 2otr h ALA 35 Cb 0.96 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2otr h ALA 35 CO 0.03 0.56 -1.67 1.79 0.00 0.00 0.00 179.25 179.96 2otr h THR 36 N 0.60 0.84 -5.24 0.00 1.35 -1.63 -3.47 112.91 105.35 2otr h THR 36 Ca 0.11 -2.36 -0.25 0.00 -0.55 0.00 0.00 66.41 63.36 2otr h THR 36 Cb 0.55 2.57 0.17 0.00 -1.73 0.00 0.00 68.15 69.71 2otr h THR 36 CO 0.03 0.75 -0.76 -0.62 -0.25 0.00 0.00 175.52 174.67 2otr n GLU 37 N -3.78 -3.11 -0.09 4.72 1.02 0.31 -4.98 120.64 114.71 2otr n GLU 37 Ca -0.29 0.78 -0.18 0.00 -0.02 0.00 0.00 57.16 57.46 2otr n GLU 37 Cb 0.95 -5.46 -0.10 0.00 -0.02 0.00 0.00 31.44 26.81 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 -1.18 0.00 0.00 3.49 4.20 -1.91 -3.46 115.11 116.25 2otr h GLN 38 Ca -0.55 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2otr h GLN 38 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2otr h GLN 38 CO 0.41 0.81 0.00 -0.35 -0.67 0.00 0.00 178.83 179.03 2otr n PRO 39 N -4.49 0.00 -0.96 1.46 -0.04 -1.26 -5.04 135.00 124.67 2otr n PRO 39 Ca -0.25 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.34 2otr n PRO 39 Cb 0.58 -0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 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 -3.86 1.53 4.32 -1.26 -4.77 117.00 112.97 2otr n LEU 40 Ca 0.00 1.03 -0.30 0.00 -0.02 0.00 0.00 56.01 56.73 2otr n LEU 40 Cb 0.00 -2.99 -0.16 0.00 -1.62 0.00 0.00 43.42 38.66 2otr n LEU 40 CO 0.00 -2.10 -0.38 0.00 -1.22 0.00 0.00 177.39 173.69 2otr s ALA 41 N -1.95 1.77 -1.29 -1.18 0.00 -1.24 -4.98 121.76 112.89 2otr s ALA 41 Ca 0.00 -1.43 0.16 0.00 0.00 0.00 0.00 51.96 50.69 2otr s ALA 41 Cb 0.00 -1.49 0.79 0.00 0.00 0.00 0.00 23.12 22.42 2otr s ALA 41 CO 0.00 -1.36 1.49 -0.35 0.00 0.00 0.00 175.76 175.54 2otr n PRO 42 N 4.74 0.16 -1.03 0.00 -0.04 -1.26 -3.00 135.00 134.57 2otr n PRO 42 Ca -0.07 0.16 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 2otr n PRO 42 Cb 0.44 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.53 2otr n PRO 42 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2otr n LYS 43 N -1.36 2.08 0.00 0.54 0.00 -1.26 -4.61 118.16 113.56 2otr n LYS 43 Ca 0.07 -2.48 0.00 0.00 -0.00 0.00 0.00 58.31 55.89 2otr n LYS 43 Cb 0.15 -1.97 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 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 -0.76 0.00 -2.29 5.58 4.01 -1.16 -5.07 117.16 117.47 2otr n TYR 44 Ca 0.49 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 58.23 2otr n TYR 44 Cb 1.29 0.02 0.01 0.00 -0.31 0.00 0.00 39.34 40.35 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 -1.05 0.11 -1.72 -0.72 5.02 -1.26 -5.06 118.16 113.47 2otr n LYS 45 Ca 0.00 -0.12 -0.37 0.00 -2.02 0.00 0.00 58.31 55.80 2otr n LYS 45 Cb 0.00 0.15 -0.05 0.00 -0.02 0.00 0.00 35.03 35.11 2otr n LYS 45 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2otr n ASP 46 N -0.12 3.12 -3.58 4.39 5.75 -1.25 -4.22 116.55 120.63 2otr n ASP 46 Ca -0.02 -2.73 0.03 0.00 -0.01 0.00 0.00 54.79 52.06 2otr n ASP 46 Cb 0.48 -1.48 -0.00 0.00 -1.03 0.00 0.00 41.12 39.09 2otr n ASP 46 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2otr s HIS 47 N 7.21 -0.02 0.67 2.11 3.76 -0.77 -4.97 115.29 123.30 2otr s HIS 47 Ca 0.61 -0.02 -0.09 0.00 -0.15 0.00 0.00 55.06 55.40 2otr s HIS 47 Cb 0.07 0.52 0.15 0.00 1.11 0.00 0.00 32.58 34.43 2otr s HIS 47 CO 0.11 -0.11 0.33 -2.30 -0.85 0.00 0.00 174.74 171.91 2otr n PRO 48 N -0.50 -1.58 0.00 8.40 -0.02 -1.26 -3.20 135.00 136.85 2otr n PRO 48 Ca -0.09 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 60.83 2otr n PRO 48 Cb 0.64 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 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 0.00 0.00 0.00 2.45 4.32 -1.25 -4.71 117.00 117.81 2otr n LEU 49 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 2otr n LEU 49 Cb 0.23 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 2otr n LEU 49 CO 0.15 -0.24 0.00 0.29 -1.22 0.00 0.00 177.39 176.37 2otr n LYS 50 N -1.87 -1.89 0.00 3.23 5.02 -1.26 -5.16 118.16 116.22 2otr n LYS 50 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2otr n LYS 50 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.09 -0.21 1.28 0.72 0.00 -1.26 -4.46 105.19 101.17 2otr n GLY 51 Ca 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 46.02 44.70 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 2.69 0.12 -0.02 0.00 -1.26 -4.82 105.19 101.91 2otr n GLY 52 Ca 0.00 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.17 2.20 -2.35 0.99 4.32 -1.26 -4.98 117.00 115.74 2otr n LEU 53 Ca 0.12 0.29 -0.20 0.00 -0.02 0.00 0.00 56.01 56.20 2otr n LEU 53 Cb 0.96 -0.96 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 2otr n LEU 53 CO -0.02 0.56 -0.25 0.29 -1.22 0.00 0.00 177.39 176.75 2otr n LYS 54 N -4.03 -1.73 -0.00 3.23 4.01 -1.26 -4.81 118.16 113.56 2otr n LYS 54 Ca -0.39 0.98 -0.00 0.00 -0.51 0.00 0.00 58.31 58.38 2otr n LYS 54 Cb 0.85 -5.62 -0.00 0.00 -0.51 0.00 0.00 35.03 29.75 2otr n LYS 54 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2otr n ASP 55 N -1.94 3.38 -4.71 4.39 -0.08 -1.26 -5.01 116.55 111.32 2otr n ASP 55 Ca -0.23 -0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.63 2otr n ASP 55 Cb 0.68 -0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.10 2otr n ASP 55 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2otr s PHE 56 N -2.00 3.63 -0.12 -0.67 0.08 -1.26 -4.02 117.98 113.62 2otr s PHE 56 Ca -0.00 1.64 -0.08 0.00 0.12 0.00 0.00 56.93 58.61 2otr s PHE 56 Cb 0.00 -3.10 0.04 0.00 -0.57 0.00 0.00 43.02 39.39 2otr s PHE 56 CO 0.00 -0.03 0.30 1.03 -0.10 0.00 0.00 175.22 176.42 2otr s ARG 57 N 1.14 0.29 0.03 0.44 0.52 -0.86 -3.83 118.95 116.69 2otr s ARG 57 Ca 0.50 0.55 0.04 0.00 -0.52 0.00 0.00 55.73 56.30 2otr s ARG 57 Cb -0.20 -0.00 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 2otr s ARG 57 CO 0.26 -0.12 -0.04 -2.00 0.02 0.00 0.00 175.30 173.42 2otr s GLU 58 N 0.93 2.57 -0.11 3.54 2.12 -1.19 -0.94 118.70 125.61 2otr s GLU 58 Ca -0.06 -0.75 -0.13 0.00 0.36 0.00 0.00 54.97 54.39 2otr s GLU 58 Cb -0.07 -2.54 0.03 0.00 0.26 0.00 0.00 34.13 31.81 2otr s GLU 58 CO -0.07 0.58 0.34 0.00 -0.54 0.00 0.00 175.26 175.58 2otr s HIS 60 N -0.11 3.60 0.23 0.00 3.76 -1.26 0.24 115.29 121.75 2otr s HIS 60 Ca -0.03 -1.94 -0.07 0.00 -0.15 0.00 0.00 55.06 52.88 2otr s HIS 60 Cb -0.03 -3.72 0.20 0.00 1.11 0.00 0.00 32.58 30.14 2otr s HIS 60 CO 0.01 -0.98 1.83 1.37 -0.85 0.00 0.00 174.74 176.12 2otr h LEU 61 N 7.95 1.11-10.24 0.89 8.10 -1.84 -3.29 115.31 117.99 2otr h LEU 61 Ca -0.01 -0.13 -0.47 0.00 0.11 0.00 0.00 57.88 57.39 2otr h LEU 61 Cb 1.04 -0.29 -0.02 0.00 -0.44 0.00 0.00 40.66 40.96 2otr h LEU 61 CO 0.81 0.93 -0.35 -0.54 -4.11 0.00 0.00 178.44 175.18 2otr s LYS 62 N -5.72 2.67 0.00 0.17 1.02 -1.24 -4.82 119.74 111.82 2otr s LYS 62 Ca -0.12 -1.40 0.16 0.00 0.02 0.00 0.00 55.97 54.63 2otr s LYS 62 Cb 0.16 -2.52 0.77 0.00 -0.52 0.00 0.00 37.83 35.72 2otr s LYS 62 CO 0.83 -0.17 1.50 -0.35 -0.92 0.00 0.00 175.35 176.25 2otr n PRO 63 N -1.61 0.12 -2.72 -1.68 -0.04 -1.26 -3.52 135.00 124.29 2otr n PRO 63 Ca 0.04 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 2otr n PRO 63 Cb 0.61 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.65 2otr n PRO 63 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2otr n ASP 64 N -1.40 -0.19 -3.65 3.54 8.00 -1.26 -5.10 116.55 116.50 2otr n ASP 64 Ca 0.06 -2.35 -0.08 0.00 0.71 0.00 0.00 54.79 53.13 2otr n ASP 64 Cb 0.16 0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 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 -3.57 -0.83 0.00 0.64 1.02 -1.23 -4.58 118.68 110.12 2otr s LEU 65 Ca 0.21 1.44 0.02 0.00 0.02 0.00 0.00 54.13 55.82 2otr s LEU 65 Cb 0.41 2.26 0.13 0.00 0.02 0.00 0.00 46.19 49.01 2otr s LEU 65 CO -0.06 -0.23 0.92 0.18 0.02 0.00 0.00 176.35 177.18 2otr n LEU 66 N 4.28 0.00 -3.15 1.79 4.32 0.81 -3.30 117.00 121.75 2otr n LEU 66 Ca -0.20 -2.14 0.05 0.00 -0.02 0.00 0.00 56.01 53.70 2otr n LEU 66 Cb 0.58 -0.58 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2otr n LEU 66 CO -0.01 -0.91 0.41 -0.22 -1.22 0.00 0.00 177.39 175.44 2otr s LEU 67 N 0.00 -0.78 -0.07 2.23 0.20 0.14 -3.16 118.68 117.24 2otr s LEU 67 Ca 0.63 0.17 -0.13 0.00 0.69 0.00 0.00 54.13 55.49 2otr s LEU 67 Cb -0.04 1.53 -0.05 0.00 -0.43 0.00 0.00 46.19 47.20 2otr s LEU 67 CO 0.41 -0.14 0.33 -0.69 -0.29 0.00 0.00 176.35 175.97 2otr s VAL 68 N 2.92 5.20 0.24 1.68 1.01 -0.82 -0.58 120.40 130.04 2otr s VAL 68 Ca 0.18 0.65 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 2otr s VAL 68 Cb -0.06 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2otr s VAL 68 CO -0.22 0.53 0.35 -0.72 0.00 0.00 0.00 175.10 175.04 2otr s TYR 69 N -0.64 0.71 -0.14 5.22 -0.85 -0.12 0.15 117.35 121.68 2otr s TYR 69 Ca 0.20 -1.01 -0.04 0.00 -0.52 0.00 0.00 57.07 55.70 2otr s TYR 69 Cb -0.15 -0.12 0.07 0.00 0.38 0.00 0.00 41.96 42.14 2otr s TYR 69 CO 0.09 -0.87 0.16 -1.14 -1.52 0.00 0.00 175.55 172.27 2otr s GLN 70 N -4.01 0.09 0.06 -3.49 0.74 0.96 -2.02 119.66 111.98 2otr s GLN 70 Ca 0.29 0.28 -0.25 0.00 0.05 0.00 0.00 55.36 55.73 2otr s GLN 70 Cb 0.02 -0.98 -0.06 0.00 1.10 0.00 0.00 33.01 33.10 2otr s GLN 70 CO 0.11 -0.51 0.76 0.42 -0.55 0.00 0.00 175.29 175.51 2otr s ILE 71 N 2.26 4.68 -0.38 -2.34 1.09 -1.26 -2.53 121.20 122.72 2otr s ILE 71 Ca 0.04 1.62 -0.04 0.00 -1.10 0.00 0.00 60.65 61.17 2otr s ILE 71 Cb -0.14 -4.11 0.09 0.00 -1.06 0.00 0.00 42.46 37.24 2otr s ILE 71 CO -0.09 0.39 0.16 -1.59 -0.10 0.00 0.00 174.94 173.72 2otr s LYS 72 N -0.25 2.26 0.64 2.79 0.00 -0.87 -4.94 119.74 119.36 2otr s LYS 72 Ca 0.38 -1.59 0.42 0.00 0.00 0.00 0.00 55.97 55.18 2otr s LYS 72 Cb -0.21 -3.53 2.23 0.00 0.00 0.00 0.00 37.83 36.33 2otr s LYS 72 CO 0.23 -0.92 2.29 1.57 0.00 0.00 0.00 175.35 178.52 2otr h LYS 73 N 8.12 0.00 -0.95 1.78 2.10 -1.96 0.27 116.57 125.93 2otr h LYS 73 Ca -0.17 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.68 2otr h LYS 73 Cb 1.06 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.31 2otr h LYS 73 CO 0.67 0.00 0.61 0.37 -2.00 0.00 0.00 179.45 179.10 2otr h GLN 74 N 0.00 0.50 0.00 0.07 5.75 -1.98 -3.17 115.11 116.28 2otr h GLN 74 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2otr h GLN 74 Cb 0.09 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.52 2otr h GLN 74 CO 0.00 0.33 -0.32 -0.85 -2.65 0.00 0.00 178.83 175.34 2otr n GLU 75 N -4.59 0.00 -3.35 1.69 0.28 -0.97 -5.06 120.64 108.65 2otr n GLU 75 Ca 0.21 -0.70 -0.25 0.00 -0.16 0.00 0.00 57.16 56.26 2otr n GLU 75 Cb 0.67 -0.38 0.02 0.00 1.43 0.00 0.00 31.44 33.19 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 -6.24 -3.97 -1.84 4.13 0.90 -4.79 115.26 103.46 2otr n ASN 76 Ca 0.00 -0.12 -0.13 0.00 1.68 0.00 0.00 54.58 56.01 2otr n ASN 76 Cb 0.63 -2.97 -0.13 0.00 -1.54 0.00 0.00 39.78 35.77 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 -2.18 0.32 -0.81 3.41 2.01 -1.10 -2.19 115.64 115.09 2otr s THR 77 Ca 0.25 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.60 2otr s THR 77 Cb -0.04 -0.33 0.20 0.00 0.01 0.00 0.00 72.50 72.34 2otr s THR 77 CO 0.84 -0.13 0.79 -0.22 -0.69 0.00 0.00 174.62 175.21 2otr s LEU 78 N -0.67 6.48 -0.53 4.42 2.96 0.29 -2.06 118.68 129.58 2otr s LEU 78 Ca -0.04 -2.51 -0.22 0.00 -0.22 0.00 0.00 54.13 51.14 2otr s LEU 78 Cb -0.05 -2.24 0.05 0.00 0.50 0.00 0.00 46.19 44.45 2otr s LEU 78 CO -0.00 -0.67 0.80 0.12 -1.32 0.00 0.00 176.35 175.28 2otr s PHE 79 N 0.64 2.91 1.10 5.38 5.36 -1.05 -0.45 117.98 131.86 2otr s PHE 79 Ca 0.18 -0.23 -0.13 0.00 -0.96 0.00 0.00 56.93 55.80 2otr s PHE 79 Cb -0.11 -3.82 0.24 0.00 -0.34 0.00 0.00 43.02 38.99 2otr s PHE 79 CO -0.08 -1.20 1.06 -0.51 -1.46 0.00 0.00 175.22 173.03 2otr s LEU 80 N 3.36 1.16 0.00 6.12 1.43 -0.81 -0.03 118.68 129.91 2otr s LEU 80 Ca 0.24 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 2otr s LEU 80 Cb -0.15 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2otr s LEU 80 CO 0.16 -3.76 0.00 0.52 0.23 0.00 0.00 176.35 173.50 2otr n VAL 81 N -4.61 0.00 -4.50 -1.59 0.31 0.41 -4.06 118.33 104.29 2otr n VAL 81 Ca 0.04 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.10 2otr n VAL 81 Cb 0.55 -0.15 -0.10 0.00 -0.91 0.00 0.00 33.84 33.24 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 -0.85 1.98 -0.30 5.55 0.52 -0.76 -2.73 118.95 122.35 2otr s ARG 82 Ca 0.00 -2.00 -0.18 0.00 -0.52 0.00 0.00 55.73 53.04 2otr s ARG 82 Cb 0.00 -1.73 0.18 0.00 0.52 0.00 0.00 34.95 33.92 2otr s ARG 82 CO 0.00 -0.00 1.20 -1.17 0.02 0.00 0.00 175.30 175.35 2otr s LEU 83 N -3.72 -0.21 0.00 2.53 0.20 -1.26 -1.94 118.68 114.28 2otr s LEU 83 Ca 0.35 0.24 0.00 0.00 0.69 0.00 0.00 54.13 55.41 2otr s LEU 83 Cb 0.06 1.22 0.00 0.00 -0.43 0.00 0.00 46.19 47.04 2otr s LEU 83 CO 0.19 -0.04 0.00 0.61 -0.29 0.00 0.00 176.35 176.82 2otr n GLY 84 N 4.88 -0.38 2.95 7.98 0.00 -1.19 -4.54 105.19 114.89 2otr n GLY 84 Ca -0.07 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.09 0.51 1.61 0.15 -1.26 -0.13 113.70 110.48 2otr s SER 85 Ca 0.00 0.22 0.18 0.00 0.70 0.00 0.00 55.95 57.05 2otr s SER 85 Cb 0.00 0.18 1.27 0.00 -1.71 0.00 0.00 66.02 65.76 2otr s SER 85 CO 0.00 -0.07 2.09 0.45 1.20 0.00 0.00 173.24 176.92 2otr h HIS 86 N 6.38 0.05 0.00 3.44 3.86 -1.98 0.20 115.15 127.10 2otr h HIS 86 Ca -0.31 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.72 2otr h HIS 86 Cb 1.18 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2otr h HIS 86 CO 0.42 0.03 -0.86 0.66 0.86 0.00 0.00 177.93 179.04 2otr h SER 87 N 0.05 0.07 0.00 2.45 4.64 -1.95 -2.34 113.55 116.47 2otr h SER 87 Ca 0.09 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2otr h SER 87 Cb 0.30 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2otr h SER 87 CO -0.01 0.89 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.74 2otr h GLU 88 N 0.03 0.00 0.52 4.77 4.22 -1.52 -3.39 114.58 119.20 2otr h GLU 88 Ca -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.39 2otr h GLU 88 Cb 1.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.76 2otr h GLU 88 CO 0.12 0.52 -0.25 -0.07 -2.18 0.00 0.00 179.01 177.15 2otr h LEU 89 N -1.00 -0.59 0.00 1.64 4.07 -0.82 -3.49 115.31 115.12 2otr h LEU 89 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2otr h LEU 89 Cb 0.53 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2otr h LEU 89 CO -0.00 -0.42 0.00 0.49 -1.08 0.00 0.00 178.44 177.43