#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bto s ILE 24 N 0.00 4.95 0.17 9.51 1.01 -1.13 -5.02 121.20 130.69 2bto s ILE 24 Ca 0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 2bto s ILE 24 Cb 0.00 -3.53 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 2bto s ILE 24 CO 0.00 0.03 0.60 -1.00 0.00 0.00 0.00 174.94 174.57 2bto s HIS 25 N 1.67 3.60 0.18 3.97 3.76 -1.26 0.57 115.29 127.78 2bto s HIS 25 Ca 0.05 1.13 0.09 0.00 -0.15 0.00 0.00 55.06 56.18 2bto s HIS 25 Cb -0.17 -2.43 -0.04 0.00 1.11 0.00 0.00 32.58 31.05 2bto s HIS 25 CO 0.08 0.39 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.67 2bto s LEU 26 N -2.03 2.46 0.52 0.89 1.43 -0.23 -4.89 118.68 116.83 2bto s LEU 26 Ca 0.40 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2bto s LEU 26 Cb -0.15 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.24 2bto s LEU 26 CO 0.20 -0.04 0.11 0.42 0.23 0.00 0.00 176.35 177.26 2bto s THR 27 N -2.16 1.30 0.28 5.49 -4.23 -1.26 -4.60 115.64 110.45 2bto s THR 27 Ca 0.17 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.83 2bto s THR 27 Cb -0.05 -2.16 0.10 0.00 1.34 0.00 0.00 72.50 71.73 2bto s THR 27 CO 0.07 0.00 1.76 0.44 -0.54 0.00 0.00 174.62 176.35 2bto h ASP 28 N 1.19 0.60 0.10 3.99 3.45 -1.92 -2.56 116.42 121.27 2bto h ASP 28 Ca -0.42 -0.16 -0.12 0.00 0.43 0.00 0.00 57.03 56.75 2bto h ASP 28 Cb 1.31 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.91 2bto h ASP 28 CO 0.70 0.75 -0.41 0.44 -1.57 0.00 0.00 179.24 179.14 2bto h ASP 29 N 0.56 0.42 0.49 6.45 3.45 -2.01 -3.23 116.42 122.55 2bto h ASP 29 Ca 0.10 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.38 2bto h ASP 29 Cb 0.53 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 2bto h ASP 29 CO 0.03 0.78 -0.66 -1.54 -1.57 0.00 0.00 179.24 176.28 2bto n SER 30 N -4.02 0.60 -0.10 6.45 3.41 -1.18 -4.39 113.62 114.39 2bto n SER 30 Ca -0.02 -0.27 -0.06 0.00 -0.26 0.00 0.00 58.87 58.27 2bto n SER 30 Cb 0.50 0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.87 2bto n SER 30 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2bto h PHE 31 N 0.00 -0.09 -0.04 7.33 3.57 -1.47 -0.30 116.94 125.93 2bto h PHE 31 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2bto h PHE 31 Cb 0.58 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 2bto h PHE 31 CO 0.00 -0.10 -0.49 0.22 -2.23 0.00 0.00 178.31 175.70 2bto h ASP 32 N 0.05 -1.54 0.06 0.41 -0.00 -1.79 0.30 116.42 113.92 2bto h ASP 32 Ca 0.17 0.18 -0.00 0.00 -0.00 0.00 0.00 57.03 57.37 2bto h ASP 32 Cb 0.24 0.59 0.00 0.00 -0.00 0.00 0.00 39.33 40.16 2bto h ASP 32 CO -0.31 -0.47 -0.03 0.74 -0.00 0.00 0.00 179.24 179.17 2bto h THR 33 N -0.59 1.14 -0.53 2.25 2.02 -1.81 0.49 112.91 115.89 2bto h THR 33 Ca 0.02 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.39 2bto h THR 33 Cb 0.65 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2bto h THR 33 CO -0.35 0.18 0.02 0.44 0.37 0.00 0.00 175.52 176.18 2bto h ASP 34 N -0.41 0.90 0.00 4.18 3.45 -0.98 -3.26 116.42 120.30 2bto h ASP 34 Ca -0.01 -0.30 -0.26 0.00 0.43 0.00 0.00 57.03 56.89 2bto h ASP 34 Cb 0.36 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.85 2bto h ASP 34 CO 0.01 0.98 -1.87 0.52 -1.57 0.00 0.00 179.24 177.31 2bto n VAL 35 N -4.30 1.50 0.13 -1.35 0.31 0.11 -4.46 118.33 110.26 2bto n VAL 35 Ca 0.02 -0.16 -0.21 0.00 -0.01 0.00 0.00 64.34 63.98 2bto n VAL 35 Cb 0.31 -2.07 -0.15 0.00 -0.91 0.00 0.00 33.84 31.02 2bto n VAL 35 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2bto h LEU 36 N -0.99 0.65 -0.67 7.52 3.38 -0.98 -3.17 115.31 121.05 2bto h LEU 36 Ca -0.40 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 56.87 2bto h LEU 36 Cb 1.34 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2bto h LEU 36 CO -0.24 1.55 0.00 0.29 0.09 0.00 0.00 178.44 180.13 2bto n LYS 37 N -3.63 1.45 -2.35 1.13 4.76 0.02 -3.12 118.16 116.42 2bto n LYS 37 Ca -0.13 -0.67 -0.40 0.00 -2.87 0.00 0.00 58.31 54.23 2bto n LYS 37 Cb 1.07 -1.45 -0.04 0.00 -1.84 0.00 0.00 35.03 32.78 2bto n LYS 37 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bto s ALA 38 N -1.95 3.44 0.25 7.82 0.00 -1.20 -5.02 121.76 125.10 2bto s ALA 38 Ca 0.38 1.01 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 2bto s ALA 38 Cb 0.20 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2bto s ALA 38 CO 0.31 -0.33 0.82 0.34 0.00 0.00 0.00 175.76 176.90 2bto s ASP 39 N -0.64 7.21 0.12 0.00 3.68 -1.26 -4.66 116.67 121.12 2bto s ASP 39 Ca 0.47 1.61 0.00 0.00 2.13 0.00 0.00 52.55 56.76 2bto s ASP 39 Cb -0.34 -2.49 0.00 0.00 -1.45 0.00 0.00 42.92 38.63 2bto s ASP 39 CO 0.44 0.02 0.00 0.61 0.13 0.00 0.00 175.17 176.37 2bto n GLY 40 N 0.77 -2.37 3.78 2.66 0.00 -1.26 -4.95 105.19 103.83 2bto n GLY 40 Ca -0.01 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 2bto n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bto s ALA 41 N -2.67 3.00 -0.08 4.61 0.00 -1.26 -4.69 121.76 120.67 2bto s ALA 41 Ca 0.00 0.82 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 2bto s ALA 41 Cb 0.00 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2bto s ALA 41 CO 0.00 -0.47 0.19 -1.50 0.00 0.00 0.00 175.76 173.98 2bto s ILE 42 N -1.62 -0.02 -0.23 0.00 2.07 0.91 -2.29 121.20 120.02 2bto s ILE 42 Ca 0.62 0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.90 2bto s ILE 42 Cb -0.25 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 2bto s ILE 42 CO 0.31 0.04 -0.01 -0.22 -1.91 0.00 0.00 174.94 173.14 2bto s LEU 43 N 0.69 3.05 -0.18 8.50 2.96 -0.40 0.67 118.68 133.98 2bto s LEU 43 Ca -0.05 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2bto s LEU 43 Cb -0.06 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2bto s LEU 43 CO -0.04 -0.02 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.28 2bto s VAL 44 N 1.49 4.11 -0.49 1.68 1.01 0.13 -0.11 120.40 128.21 2bto s VAL 44 Ca 0.06 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 2bto s VAL 44 Cb -0.14 -2.84 0.12 0.00 0.00 0.00 0.00 36.38 33.52 2bto s VAL 44 CO -0.01 0.46 0.38 -0.62 0.00 0.00 0.00 175.10 175.31 2bto s ASP 45 N 0.63 5.87 -0.09 3.32 3.68 0.50 -0.72 116.67 129.86 2bto s ASP 45 Ca -0.00 -1.80 -0.30 0.00 2.13 0.00 0.00 52.55 52.58 2bto s ASP 45 Cb -0.14 -2.08 -0.02 0.00 -1.45 0.00 0.00 42.92 39.24 2bto s ASP 45 CO 0.02 -0.72 1.07 -0.36 0.13 0.00 0.00 175.17 175.31 2bto s PHE 46 N 1.45 3.41 0.31 -5.34 0.08 -0.63 -1.67 117.98 115.59 2bto s PHE 46 Ca 0.05 1.47 -0.14 0.00 0.12 0.00 0.00 56.93 58.43 2bto s PHE 46 Cb -0.27 -3.26 0.02 0.00 -0.57 0.00 0.00 43.02 38.94 2bto s PHE 46 CO 0.01 -0.57 0.61 1.67 -0.10 0.00 0.00 175.22 176.84 2bto s TRP 47 N 2.08 0.29 0.15 0.36 1.48 -0.93 -2.41 118.94 119.97 2bto s TRP 47 Ca 0.51 -0.74 -0.11 0.00 -1.06 0.00 0.00 56.10 54.70 2bto s TRP 47 Cb -0.20 0.43 0.00 0.00 -1.16 0.00 0.00 33.47 32.54 2bto s TRP 47 CO 0.19 -1.23 0.31 0.00 -4.06 0.00 0.00 176.95 172.17 2bto s ALA 48 N -3.39 -0.25 0.19 2.67 0.00 -1.26 -1.39 121.76 118.33 2bto s ALA 48 Ca 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2bto s ALA 48 Cb -0.03 0.78 0.12 0.00 0.00 0.00 0.00 23.12 23.99 2bto s ALA 48 CO 0.11 -0.65 1.48 1.49 0.00 0.00 0.00 175.76 178.19 2bto h GLU 49 N 2.51 0.37 -0.14 0.00 4.57 -2.01 -3.17 114.58 116.72 2bto h GLU 49 Ca -0.32 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 2bto h GLU 49 Cb 1.23 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2bto h GLU 49 CO 0.48 0.91 0.00 -2.67 -1.18 0.00 0.00 179.01 176.55 2bto n TRP 50 N -3.86 0.18 -3.53 0.92 4.27 -1.26 -4.70 117.44 109.46 2bto n TRP 50 Ca -0.04 -0.09 -0.42 0.00 -3.89 0.00 0.00 57.50 53.07 2bto n TRP 50 Cb 0.67 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.52 2bto n TRP 50 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2bto h GLY 52 N 8.53 -1.21 0.97 0.00 0.00 -1.89 -2.70 103.07 106.78 2bto h GLY 52 Ca -0.26 0.61 0.10 0.00 0.00 0.00 0.00 47.33 47.78 2bto h GLY 52 CO 0.70 -0.35 0.42 -2.55 0.00 0.00 0.00 176.54 174.75 2bto h PRO 53 N -0.42 0.00 -0.31 4.80 0.11 -1.94 -2.18 132.00 132.05 2bto h PRO 53 Ca -0.00 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.96 2bto h PRO 53 Cb 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 2bto h PRO 53 CO -0.18 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 177.21 2bto h LYS 55 N 0.60 0.32 -0.81 0.00 1.57 -1.34 -3.01 116.57 113.91 2bto h LYS 55 Ca 0.04 -0.09 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2bto h LYS 55 Cb 0.99 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 2bto h LYS 55 CO 0.09 0.47 0.53 1.98 -0.57 0.00 0.00 179.45 181.95 2bto h MET 56 N 0.30 0.72 -0.01 3.15 4.05 -1.39 -2.94 114.93 118.81 2bto h MET 56 Ca 0.06 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2bto h MET 56 Cb 0.44 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2bto h MET 56 CO 0.03 0.48 -0.62 0.44 0.23 0.00 0.00 176.91 177.46 2bto n ILE 57 N -4.51 0.00 -0.14 1.77 -5.35 -1.15 -4.43 119.36 105.55 2bto n ILE 57 Ca 0.14 -0.19 -0.03 0.00 -0.27 0.00 0.00 62.75 62.40 2bto n ILE 57 Cb 0.33 1.15 0.05 0.00 -1.74 0.00 0.00 39.64 39.43 2bto n ILE 57 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bto h ALA 58 N 3.30 0.47 0.00 -1.28 0.00 -1.41 0.13 119.26 120.47 2bto h ALA 58 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2bto h ALA 58 Cb 0.62 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2bto h ALA 58 CO 0.00 -0.35 -0.32 -1.35 0.00 0.00 0.00 179.25 177.23 2bto h PRO 59 N 0.17 0.00 -0.32 0.00 0.11 -1.78 -3.14 132.00 127.04 2bto h PRO 59 Ca 0.23 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 2bto h PRO 59 Cb 0.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2bto h PRO 59 CO -0.33 0.32 -0.15 0.82 -0.21 0.00 0.00 178.00 178.45 2bto h ILE 60 N 0.00 1.29 0.00 4.15 1.08 -1.46 -3.21 117.51 119.36 2bto h ILE 60 Ca -0.00 -1.25 -0.03 0.00 -0.39 0.00 0.00 64.86 63.19 2bto h ILE 60 Cb 0.72 1.41 -0.00 0.00 -3.07 0.00 0.00 36.82 35.88 2bto h ILE 60 CO 0.04 0.41 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.70 2bto h LEU 61 N 0.44 0.00 -0.93 1.44 3.38 -0.75 -2.39 115.31 116.51 2bto h LEU 61 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2bto h LEU 61 Cb 0.68 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2bto h LEU 61 CO 0.05 0.14 0.11 0.44 0.09 0.00 0.00 178.44 179.26 2bto h ASP 62 N 0.00 0.85 -0.51 -0.43 3.45 -1.56 -2.56 116.42 115.66 2bto h ASP 62 Ca -0.00 -0.17 -0.08 0.00 0.43 0.00 0.00 57.03 57.21 2bto h ASP 62 Cb 0.27 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 2bto h ASP 62 CO 0.02 0.84 0.03 -0.33 -1.57 0.00 0.00 179.24 178.23 2bto h GLU 63 N 0.86 0.93 -0.10 3.56 5.08 -1.52 -2.81 114.58 120.57 2bto h GLU 63 Ca 0.18 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2bto h GLU 63 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2bto h GLU 63 CO 0.00 0.91 -0.52 0.82 -1.00 0.00 0.00 179.01 179.22 2bto h ILE 64 N 0.87 1.35 0.00 3.13 5.03 -1.55 -1.90 117.51 124.43 2bto h ILE 64 Ca 0.17 -1.78 -0.00 0.00 -0.12 0.00 0.00 64.86 63.12 2bto h ILE 64 Cb 0.48 1.84 -0.00 0.00 -3.03 0.00 0.00 36.82 36.11 2bto h ILE 64 CO 0.02 0.53 -0.01 0.00 -0.68 0.00 0.00 178.15 178.01 2bto h ALA 65 N 1.23 1.12 0.00 1.87 0.00 -1.20 -1.83 119.26 120.46 2bto h ALA 65 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2bto h ALA 65 Cb 0.99 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2bto h ALA 65 CO 0.08 0.01 -0.72 -0.44 0.00 0.00 0.00 179.25 178.19 2bto h ASP 66 N 0.00 0.00 0.67 0.00 5.19 -1.36 -3.40 116.42 117.52 2bto h ASP 66 Ca -0.00 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 2bto h ASP 66 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2bto h ASP 66 CO 0.00 0.98 0.00 -0.62 -3.12 0.00 0.00 179.24 176.48 2bto n GLU 67 N -4.57 0.15 -1.88 3.56 1.02 -0.76 -2.67 120.64 115.50 2bto n GLU 67 Ca -0.15 0.39 -0.23 0.00 -0.02 0.00 0.00 57.16 57.15 2bto n GLU 67 Cb 0.39 -1.79 0.04 0.00 -0.02 0.00 0.00 31.44 30.05 2bto n GLU 67 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2bto n TYR 68 N -2.08 2.65 -1.82 -0.32 4.02 -0.70 -5.02 117.16 113.89 2bto n TYR 68 Ca 0.02 -2.25 -0.42 0.00 -0.01 0.00 0.00 57.90 55.24 2bto n TYR 68 Cb 0.21 -0.44 -0.03 0.00 -0.02 0.00 0.00 39.34 39.07 2bto n TYR 68 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2bto s GLN 69 N -3.60 4.17 0.00 -0.72 2.00 -1.09 -0.43 119.66 119.99 2bto s GLN 69 Ca 0.52 2.49 0.00 0.00 -2.00 0.00 0.00 55.36 56.36 2bto s GLN 69 Cb 0.42 -3.23 0.00 0.00 0.80 0.00 0.00 33.01 31.00 2bto s GLN 69 CO 0.03 -0.71 0.00 0.41 -0.50 0.00 0.00 175.29 174.52 2bto n GLY 70 N 3.93 0.99 0.19 2.59 0.00 -1.26 -4.65 105.19 106.98 2bto n GLY 70 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 2bto n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bto h LYS 71 N 0.00 0.00 -2.29 1.61 1.57 -1.86 -3.46 116.57 112.14 2bto h LYS 71 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2bto h LYS 71 Cb 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.11 2bto h LYS 71 CO 0.00 0.36 0.04 -1.17 -0.57 0.00 0.00 179.45 178.11 2bto s LEU 72 N -6.96 -0.25 -0.06 2.94 2.96 0.43 -4.48 118.68 113.26 2bto s LEU 72 Ca 0.01 0.76 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 2bto s LEU 72 Cb 0.10 2.14 -0.02 0.00 0.50 0.00 0.00 46.19 48.92 2bto s LEU 72 CO 0.68 -0.45 -0.20 0.28 -1.32 0.00 0.00 176.35 175.35 2bto s THR 73 N -0.72 2.52 -0.24 3.68 -1.32 -0.97 -4.56 115.64 114.04 2bto s THR 73 Ca -0.08 -0.91 -0.05 0.00 -1.21 0.00 0.00 61.69 59.44 2bto s THR 73 Cb -0.02 -1.95 -0.01 0.00 -1.51 0.00 0.00 72.50 69.00 2bto s THR 73 CO 0.06 0.57 -0.00 -0.69 -2.21 0.00 0.00 174.62 172.35 2bto s VAL 74 N -0.39 3.65 0.18 5.08 1.01 -1.26 -1.28 120.40 127.38 2bto s VAL 74 Ca 0.04 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 61.68 2bto s VAL 74 Cb -0.12 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2bto s VAL 74 CO 0.02 0.36 -0.24 0.00 0.00 0.00 0.00 175.10 175.24 2bto s ALA 75 N 1.51 2.46 -0.01 5.51 0.00 0.84 -2.84 121.76 129.23 2bto s ALA 75 Ca 0.05 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.46 2bto s ALA 75 Cb -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2bto s ALA 75 CO -0.01 0.44 -0.13 0.15 0.00 0.00 0.00 175.76 176.21 2bto s LYS 76 N -2.53 1.09 -0.13 0.00 1.02 0.19 -0.37 119.74 119.01 2bto s LYS 76 Ca 0.19 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.70 2bto s LYS 76 Cb -0.08 -1.05 0.04 0.00 -0.52 0.00 0.00 37.83 36.22 2bto s LYS 76 CO 0.09 0.27 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.60 2bto s LEU 77 N -0.25 1.07 -0.48 3.17 0.20 -0.67 -1.06 118.68 120.65 2bto s LEU 77 Ca 0.04 -0.44 -0.25 0.00 0.69 0.00 0.00 54.13 54.17 2bto s LEU 77 Cb -0.06 -0.65 0.03 0.00 -0.43 0.00 0.00 46.19 45.08 2bto s LEU 77 CO -0.00 -0.21 0.92 0.21 -0.29 0.00 0.00 176.35 176.97 2bto s ASN 78 N 1.83 6.45 0.51 3.68 2.47 -1.26 -2.19 114.94 126.43 2bto s ASN 78 Ca 0.02 -0.01 0.34 0.00 0.42 0.00 0.00 52.86 53.64 2bto s ASN 78 Cb -0.14 -2.44 1.62 0.00 -1.45 0.00 0.00 41.25 38.84 2bto s ASN 78 CO -0.07 -1.08 2.03 0.16 -3.72 0.00 0.00 177.10 174.42 2bto h ILE 79 N 6.06 0.00 0.18 -5.21 3.07 -1.48 -2.32 117.51 117.81 2bto h ILE 79 Ca -0.25 -0.24 -0.01 0.00 1.55 0.00 0.00 64.86 65.91 2bto h ILE 79 Cb 1.08 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 2bto h ILE 79 CO 1.03 0.00 -0.09 0.44 -1.05 0.00 0.00 178.15 178.49 2bto h ASP 80 N 0.00 -0.20 0.43 2.16 3.32 -1.92 -3.03 116.42 117.17 2bto h ASP 80 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2bto h ASP 80 Cb 0.26 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2bto h ASP 80 CO 0.00 0.25 -0.09 0.00 -1.72 0.00 0.00 179.24 177.67 2bto n GLN 81 N -4.99 0.59 -3.20 3.56 10.64 -1.07 -4.13 117.38 118.78 2bto n GLN 81 Ca -0.09 -0.16 -0.24 0.00 -1.83 0.00 0.00 57.00 54.68 2bto n GLN 81 Cb 0.26 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.07 2bto n GLN 81 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2bto n ASN 82 N -1.06 0.17 0.00 2.61 3.02 -0.90 -4.94 115.26 114.17 2bto n ASN 82 Ca 0.14 -2.69 0.10 0.00 -0.03 0.00 0.00 54.58 52.10 2bto n ASN 82 Cb 0.27 -0.64 0.48 0.00 -0.61 0.00 0.00 39.78 39.28 2bto n ASN 82 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2bto n PRO 83 N 1.44 0.23 0.13 3.52 -0.04 -1.14 -3.85 135.00 135.28 2bto n PRO 83 Ca 0.21 0.11 0.01 0.00 -0.04 0.00 0.00 63.50 63.79 2bto n PRO 83 Cb 0.53 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2bto n PRO 83 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2bto h GLY 84 N 3.25 0.00 0.19 0.55 0.00 -1.94 -3.41 103.07 101.71 2bto h GLY 84 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2bto h GLY 84 CO 0.00 0.00 -1.11 -0.84 0.00 0.00 0.00 176.54 174.59 2bto h THR 85 N 0.00 1.09 -0.51 4.70 2.02 -1.96 -3.40 112.91 114.85 2bto h THR 85 Ca -0.01 -2.28 0.08 0.00 0.77 0.00 0.00 66.41 64.98 2bto h THR 85 Cb 1.41 2.59 -0.07 0.00 -1.74 0.00 0.00 68.15 70.34 2bto h THR 85 CO 0.08 0.51 0.14 0.00 0.37 0.00 0.00 175.52 176.61 2bto h ALA 86 N -0.25 0.60 -0.60 6.16 0.00 -1.83 -1.56 119.26 121.79 2bto h ALA 86 Ca -0.28 0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.90 2bto h ALA 86 Cb 1.42 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2bto h ALA 86 CO -0.08 -0.27 0.43 -1.35 0.00 0.00 0.00 179.25 177.98 2bto h PRO 87 N 0.29 0.01 0.00 0.00 0.11 -1.80 -0.60 132.00 130.01 2bto h PRO 87 Ca 0.25 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 2bto h PRO 87 Cb 0.32 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 2bto h PRO 87 CO -0.30 0.01 -0.15 0.87 -0.21 0.00 0.00 178.00 178.22 2bto h LYS 88 N 0.01 0.00 -0.32 1.05 1.57 -1.48 -3.15 116.57 114.26 2bto h LYS 88 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2bto h LYS 88 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2bto h LYS 88 CO -0.01 0.15 0.00 0.66 -0.57 0.00 0.00 179.45 179.68 2bto n TYR 89 N -3.47 0.42 -3.33 -1.35 4.02 -0.24 -4.99 117.16 108.22 2bto n TYR 89 Ca -0.01 -0.32 -0.18 0.00 -0.01 0.00 0.00 57.90 57.38 2bto n TYR 89 Cb 0.31 -0.01 0.07 0.00 -0.02 0.00 0.00 39.34 39.68 2bto n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bto n GLY 90 N 0.91 -0.23 3.71 2.72 0.00 -1.13 -4.98 105.19 106.19 2bto n GLY 90 Ca 0.14 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2bto n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bto s ILE 91 N -3.26 3.64 -1.31 -0.61 1.09 -1.20 -4.93 121.20 114.61 2bto s ILE 91 Ca 0.38 1.15 0.22 0.00 -1.10 0.00 0.00 60.65 61.30 2bto s ILE 91 Cb -0.17 -3.74 -0.12 0.00 -1.06 0.00 0.00 42.46 37.38 2bto s ILE 91 CO 0.58 0.07 1.04 0.54 -0.10 0.00 0.00 174.94 177.07 2bto n ARG 92 N 4.23 0.36 -3.69 2.79 1.74 -1.26 -4.90 116.66 115.94 2bto n ARG 92 Ca 0.11 -0.29 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2bto n ARG 92 Cb 0.44 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2bto n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bto n GLY 93 N 1.47 -1.75 3.11 -0.13 0.00 -1.26 -5.17 105.19 101.45 2bto n GLY 93 Ca 0.06 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 2bto n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bto s ILE 94 N -2.61 0.74 0.39 -0.61 -5.25 -1.26 -3.99 121.20 108.61 2bto s ILE 94 Ca 0.00 -1.21 -0.25 0.00 -0.99 0.00 0.00 60.65 58.20 2bto s ILE 94 Cb 0.00 -0.83 -0.09 0.00 2.95 0.00 0.00 42.46 44.49 2bto s ILE 94 CO 0.00 -0.37 1.07 -2.16 -1.79 0.00 0.00 174.94 171.69 2bto s PRO 95 N -1.79 4.19 -0.16 0.37 0.04 -1.26 -4.78 135.00 131.61 2bto s PRO 95 Ca -0.06 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.57 2bto s PRO 95 Cb -0.09 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.86 2bto s PRO 95 CO 0.01 -0.13 -0.17 0.99 0.04 0.00 0.00 177.00 177.73 2bto s THR 96 N -1.58 1.79 -0.21 1.26 2.01 -1.01 -0.50 115.64 117.40 2bto s THR 96 Ca 0.57 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.64 2bto s THR 96 Cb -0.24 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 2bto s THR 96 CO 0.30 0.50 0.37 -0.76 -0.69 0.00 0.00 174.62 174.33 2bto s LEU 97 N 1.31 4.15 -0.14 4.42 1.43 0.19 -1.61 118.68 128.43 2bto s LEU 97 Ca 0.03 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2bto s LEU 97 Cb -0.13 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.62 2bto s LEU 97 CO -0.10 -0.06 -0.16 -0.76 0.23 0.00 0.00 176.35 175.50 2bto s LEU 98 N 1.28 2.47 -0.26 1.79 1.02 0.11 -0.84 118.68 124.24 2bto s LEU 98 Ca 0.18 -0.45 -0.15 0.00 0.02 0.00 0.00 54.13 53.72 2bto s LEU 98 Cb -0.15 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 2bto s LEU 98 CO 0.07 0.12 0.39 -0.22 0.02 0.00 0.00 176.35 176.73 2bto s LEU 99 N 0.62 4.05 0.05 1.79 2.96 -0.48 0.19 118.68 127.86 2bto s LEU 99 Ca -0.09 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 2bto s LEU 99 Cb -0.16 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2bto s LEU 99 CO 0.03 -0.19 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.47 2bto s PHE 100 N 2.03 2.93 0.00 5.38 0.08 0.21 0.20 117.98 128.82 2bto s PHE 100 Ca 0.16 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.18 2bto s PHE 100 Cb -0.16 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 2bto s PHE 100 CO 0.10 0.43 0.00 1.63 -0.10 0.00 0.00 175.22 177.28 2bto n LYS 101 N 1.07 0.00 0.00 0.44 5.02 -0.77 -0.06 118.16 123.86 2bto n LYS 101 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2bto n LYS 101 Cb 0.52 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 2bto n LYS 101 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2bto n ASN 102 N -2.10 0.00 -2.10 4.39 0.23 -1.26 -4.15 115.26 110.27 2bto n ASN 102 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 2bto n ASN 102 Cb 0.00 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 37.83 2bto n ASN 102 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bto n GLY 103 N 5.00 4.54 3.09 4.83 0.00 -1.18 -4.58 105.19 116.88 2bto n GLY 103 Ca 0.00 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.53 2bto n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bto s GLU 104 N -2.96 1.09 -0.43 1.61 0.41 -1.26 -4.98 118.70 112.18 2bto s GLU 104 Ca 0.51 -0.46 -0.29 0.00 -0.41 0.00 0.00 54.97 54.32 2bto s GLU 104 Cb 0.42 -1.04 0.01 0.00 -1.78 0.00 0.00 34.13 31.73 2bto s GLU 104 CO 0.06 0.27 1.45 0.08 -0.49 0.00 0.00 175.26 176.63 2bto s VAL 105 N -0.26 3.85 -0.10 2.63 1.01 -1.26 -1.85 120.40 124.42 2bto s VAL 105 Ca 0.04 0.85 -0.22 0.00 0.00 0.00 0.00 61.98 62.64 2bto s VAL 105 Cb -0.06 -4.18 -0.19 0.00 0.00 0.00 0.00 36.38 31.95 2bto s VAL 105 CO -0.00 -0.78 0.73 0.00 0.00 0.00 0.00 175.10 175.04 2bto h ALA 106 N 10.99 -0.05 -2.75 5.51 0.00 0.20 -3.49 119.26 129.68 2bto h ALA 106 Ca -0.28 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 2bto h ALA 106 Cb 1.11 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 2bto h ALA 106 CO 1.09 -0.10 -0.31 0.00 0.00 0.00 0.00 179.25 179.94 2bto s ALA 107 N -2.83 0.34 -0.02 0.00 0.00 -1.21 -5.00 121.76 113.04 2bto s ALA 107 Ca -0.14 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.61 2bto s ALA 107 Cb -0.01 1.20 0.02 0.00 0.00 0.00 0.00 23.12 24.32 2bto s ALA 107 CO 0.53 -0.75 -0.01 0.99 0.00 0.00 0.00 175.76 176.52 2bto s THR 108 N -4.03 0.19 -0.14 0.00 2.01 -1.26 -1.38 115.64 111.04 2bto s THR 108 Ca 0.29 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.33 2bto s THR 108 Cb 0.02 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.30 2bto s THR 108 CO 0.11 0.13 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.27 2bto s LYS 109 N 0.77 2.32 -0.16 4.92 2.36 -0.02 -5.00 119.74 124.93 2bto s LYS 109 Ca -0.08 -0.57 -0.06 0.00 -2.55 0.00 0.00 55.97 52.71 2bto s LYS 109 Cb -0.11 -2.07 -0.04 0.00 -1.05 0.00 0.00 37.83 34.56 2bto s LYS 109 CO -0.01 -0.19 0.03 0.08 1.55 0.00 0.00 175.35 176.81 2bto s VAL 110 N 1.34 4.54 0.00 4.02 1.01 -1.26 0.55 120.40 130.61 2bto s VAL 110 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2bto s VAL 110 Cb -0.13 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2bto s VAL 110 CO -0.08 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2bto n GLY 111 N 3.26 0.55 3.78 4.51 0.00 0.34 -4.98 105.19 112.65 2bto n GLY 111 Ca -0.17 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 2bto n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bto s ALA 112 N -2.99 3.07 0.21 4.61 0.00 -1.26 -4.86 121.76 120.54 2bto s ALA 112 Ca 0.00 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 2bto s ALA 112 Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2bto s ALA 112 CO 0.00 -0.32 0.35 -0.48 0.00 0.00 0.00 175.76 175.31 2bto s LEU 113 N -2.69 0.67 0.76 0.00 2.34 -1.26 -5.13 118.68 113.37 2bto s LEU 113 Ca 0.59 -0.97 -0.14 0.00 0.06 0.00 0.00 54.13 53.67 2bto s LEU 113 Cb -0.24 1.35 0.05 0.00 -0.56 0.00 0.00 46.19 46.79 2bto s LEU 113 CO 0.30 -1.00 1.17 -0.94 -1.06 0.00 0.00 176.35 174.82 2bto s SER 114 N -3.02 4.13 0.29 1.48 1.04 -1.26 -4.92 113.70 111.44 2bto s SER 114 Ca 0.23 2.22 0.24 0.00 0.48 0.00 0.00 55.95 59.12 2bto s SER 114 Cb 0.02 -2.57 1.03 0.00 0.10 0.00 0.00 66.02 64.60 2bto s SER 114 CO 0.06 -2.30 1.73 0.07 0.98 0.00 0.00 173.24 173.78 2bto h LYS 115 N -0.62 0.00 0.08 4.02 -0.00 -1.99 -2.69 116.57 115.37 2bto h LYS 115 Ca -0.46 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 59.91 2bto h LYS 115 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.49 2bto h LYS 115 CO 0.49 0.00 -1.49 0.78 -0.00 0.00 0.00 179.45 179.23 2bto h GLY 116 N 2.11 0.19 1.77 0.07 0.00 -2.00 -3.20 103.07 102.01 2bto h GLY 116 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2bto h GLY 116 CO 0.00 0.43 -0.07 -1.61 0.00 0.00 0.00 176.54 175.29 2bto h GLN 117 N -0.44 0.30 -0.80 4.80 4.15 -1.94 -2.31 115.11 118.87 2bto h GLN 117 Ca -0.34 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 58.97 2bto h GLN 117 Cb 1.67 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 29.28 2bto h GLN 117 CO -0.02 0.38 0.33 1.25 -1.93 0.00 0.00 178.83 178.84 2bto h LEU 118 N 0.29 1.09 -0.15 -2.39 5.85 -1.62 -2.12 115.31 116.26 2bto h LEU 118 Ca 0.06 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2bto h LEU 118 Cb 0.31 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2bto h LEU 118 CO 0.01 0.96 -0.09 0.11 -0.34 0.00 0.00 178.44 179.09 2bto h LYS 119 N 1.16 0.33 -0.47 1.25 1.57 -1.44 -1.29 116.57 117.68 2bto h LYS 119 Ca 0.27 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2bto h LYS 119 Cb 0.20 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2bto h LYS 119 CO -0.02 0.67 0.31 1.49 -0.57 0.00 0.00 179.45 181.32 2bto h GLU 120 N -0.02 0.60 -0.62 3.15 4.81 -1.40 0.66 114.58 121.77 2bto h GLU 120 Ca 0.03 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2bto h GLU 120 Cb 0.58 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2bto h GLU 120 CO 0.03 0.40 0.14 0.35 -0.73 0.00 0.00 179.01 179.20 2bto h PHE 121 N 0.62 1.06 0.01 0.92 3.04 -1.22 -2.94 116.94 118.43 2bto h PHE 121 Ca 0.17 -0.13 -0.21 0.00 3.98 0.00 0.00 57.97 61.78 2bto h PHE 121 Cb -0.06 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.15 2bto h PHE 121 CO -0.00 0.89 -0.92 -0.07 -2.02 0.00 0.00 178.31 176.19 2bto h LEU 122 N 0.92 0.32 -0.66 0.59 3.38 0.22 -3.26 115.31 116.82 2bto h LEU 122 Ca 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2bto h LEU 122 Cb 0.37 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2bto h LEU 122 CO 0.00 1.08 0.32 0.44 0.09 0.00 0.00 178.44 180.37 2bto h ASP 123 N 0.13 0.86 1.34 -0.43 3.45 0.24 -3.16 116.42 118.85 2bto h ASP 123 Ca -0.06 -0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.20 2bto h ASP 123 Cb 1.55 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 40.09 2bto h ASP 123 CO 0.14 0.74 -0.36 0.00 -1.57 0.00 0.00 179.24 178.20 2bto h ALA 124 N 1.15 0.83 -0.00 3.45 0.00 -1.61 -3.51 119.26 119.57 2bto h ALA 124 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2bto h ALA 124 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2bto h ALA 124 CO -0.03 0.44 0.00 0.09 0.00 0.00 0.00 179.25 179.76