#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2voc s ILE 3 N 0.00 3.94 -0.17 0.00 1.01 -1.26 -4.58 121.20 120.14 2voc s ILE 3 Ca 0.00 1.78 -0.07 0.00 0.00 0.00 0.00 60.65 62.36 2voc s ILE 3 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2voc s ILE 3 CO 0.00 0.29 0.06 -0.69 0.00 0.00 0.00 174.94 174.61 2voc s VAL 4 N -1.37 4.80 -0.51 2.92 1.01 0.81 -4.99 120.40 123.06 2voc s VAL 4 Ca 0.47 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 2voc s VAL 4 Cb -0.24 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.03 2voc s VAL 4 CO 0.31 0.49 0.89 -0.75 0.00 0.00 0.00 175.10 176.04 2voc s LYS 5 N 0.13 3.37 0.49 2.72 2.20 -1.26 -0.52 119.74 126.86 2voc s LYS 5 Ca 0.05 -0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.41 2voc s LYS 5 Cb -0.12 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.15 2voc s LYS 5 CO 0.01 -1.36 0.78 0.00 -0.36 0.00 0.00 175.35 174.42 2voc s ALA 6 N 3.72 3.42 0.44 3.13 0.00 0.24 -4.96 121.76 127.75 2voc s ALA 6 Ca 0.30 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 51.76 2voc s ALA 6 Cb -0.12 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 2voc s ALA 6 CO 0.21 -0.38 0.07 0.95 0.00 0.00 0.00 175.76 176.60 2voc s THR 7 N -2.74 1.88 0.38 0.00 -4.23 -1.26 -4.61 115.64 105.05 2voc s THR 7 Ca 0.48 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.17 2voc s THR 7 Cb -0.10 -2.78 0.31 0.00 1.34 0.00 0.00 72.50 71.27 2voc s THR 7 CO 0.44 0.00 1.93 0.44 -0.54 0.00 0.00 174.62 176.90 2voc h ASP 8 N 1.55 0.58 0.27 3.99 3.32 -1.89 0.19 116.42 124.44 2voc h ASP 8 Ca -0.43 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 2voc h ASP 8 Cb 1.26 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2voc h ASP 8 CO 0.76 0.35 -0.52 -0.61 -1.72 0.00 0.00 179.24 177.49 2voc h GLN 9 N 0.65 0.28 0.00 3.56 4.15 -2.01 -3.35 115.11 118.38 2voc h GLN 9 Ca 0.35 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2voc h GLN 9 Cb 0.50 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.20 2voc h GLN 9 CO -0.13 0.73 -1.07 -1.13 -1.93 0.00 0.00 178.83 175.31 2voc n SER 10 N -3.94 0.83 -0.07 -0.69 3.41 -0.66 -4.65 113.62 107.86 2voc n SER 10 Ca -0.02 -0.70 -0.07 0.00 -0.26 0.00 0.00 58.87 57.82 2voc n SER 10 Cb 0.56 1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 65.70 2voc n SER 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2voc h PHE 11 N 0.00 -0.47 -0.50 7.33 3.57 -1.14 0.42 116.94 126.15 2voc h PHE 11 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2voc h PHE 11 Cb 0.51 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2voc h PHE 11 CO 0.00 -0.26 0.25 0.77 -2.23 0.00 0.00 178.31 176.84 2voc h SER 12 N -0.15 0.65 -0.52 0.41 0.02 -1.84 -1.99 113.55 110.12 2voc h SER 12 Ca 0.16 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2voc h SER 12 Cb 0.39 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2voc h SER 12 CO -0.39 0.59 0.09 0.00 -1.14 0.00 0.00 176.83 175.98 2voc h ALA 13 N 1.09 0.69 0.00 3.77 0.00 -1.77 -2.33 119.26 120.71 2voc h ALA 13 Ca 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2voc h ALA 13 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2voc h ALA 13 CO -0.02 0.42 -0.11 0.93 0.00 0.00 0.00 179.25 180.46 2voc h GLU 14 N 0.74 0.00 -0.36 0.00 4.39 -0.61 -2.92 114.58 115.82 2voc h GLU 14 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2voc h GLU 14 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2voc h GLU 14 CO 0.01 0.11 0.00 0.25 -1.16 0.00 0.00 179.01 178.22 2voc n THR 15 N -3.44 1.63 0.18 1.13 -2.24 -0.78 -4.67 114.28 106.09 2voc n THR 15 Ca -0.01 -1.37 0.12 0.00 -2.27 0.00 0.00 64.05 60.52 2voc n THR 15 Cb 0.28 0.15 0.10 0.00 -2.10 0.00 0.00 70.33 68.76 2voc n THR 15 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2voc h SER 16 N 2.28 0.00 -4.31 3.42 4.64 -1.22 -3.28 113.55 115.09 2voc h SER 16 Ca 0.00 -0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 2voc h SER 16 Cb 1.12 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.91 2voc h SER 16 CO 0.12 0.00 -0.85 -1.61 -0.87 0.00 0.00 176.83 173.63 2voc s GLU 17 N -3.27 1.61 2.48 4.77 2.02 -1.26 -2.31 118.70 122.73 2voc s GLU 17 Ca 0.04 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.35 2voc s GLU 17 Cb 0.07 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.77 2voc s GLU 17 CO 0.72 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.80 2voc n GLY 18 N 2.69 -0.30 3.71 -1.39 0.00 -1.26 -4.68 105.19 103.96 2voc n GLY 18 Ca -0.15 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 2voc n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2voc s VAL 19 N 0.00 5.14 -0.02 1.61 1.01 -1.26 -1.39 120.40 125.49 2voc s VAL 19 Ca 0.00 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.05 2voc s VAL 19 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2voc s VAL 19 CO 0.00 0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.61 2voc s VAL 20 N 0.90 0.67 -0.24 2.92 1.01 -0.09 -2.03 120.40 123.54 2voc s VAL 20 Ca 0.28 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2voc s VAL 20 Cb -0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2voc s VAL 20 CO 0.11 0.22 0.07 -0.22 0.00 0.00 0.00 175.10 175.28 2voc s LEU 21 N 0.20 3.48 -0.13 3.92 2.96 -0.09 -0.77 118.68 128.25 2voc s LEU 21 Ca -0.03 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2voc s LEU 21 Cb -0.08 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2voc s LEU 21 CO 0.00 -0.01 -0.14 0.00 -1.32 0.00 0.00 176.35 174.88 2voc s ALA 22 N 1.47 2.58 -0.29 5.97 0.00 0.28 -0.59 121.76 131.19 2voc s ALA 22 Ca 0.06 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 2voc s ALA 22 Cb -0.15 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.81 2voc s ALA 22 CO 0.04 0.26 0.04 0.34 0.00 0.00 0.00 175.76 176.43 2voc s ASP 23 N 0.34 4.90 -0.34 0.00 2.15 0.16 -0.90 116.67 122.99 2voc s ASP 23 Ca -0.12 -0.84 -0.17 0.00 0.43 0.00 0.00 52.55 51.85 2voc s ASP 23 Cb -0.16 -1.81 -0.01 0.00 -0.30 0.00 0.00 42.92 40.65 2voc s ASP 23 CO 0.06 -0.19 0.47 -0.36 -0.17 0.00 0.00 175.17 174.98 2voc s PHE 24 N 1.42 3.19 0.24 -5.34 0.08 0.20 -0.71 117.98 117.07 2voc s PHE 24 Ca 0.01 0.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.16 2voc s PHE 24 Cb -0.17 -2.84 -0.02 0.00 -0.57 0.00 0.00 43.02 39.41 2voc s PHE 24 CO 0.00 -0.49 0.28 1.67 -0.10 0.00 0.00 175.22 176.58 2voc s TRP 25 N 2.28 0.96 -0.21 0.36 1.48 -0.87 -2.53 118.94 120.40 2voc s TRP 25 Ca 0.17 -1.20 -0.21 0.00 -1.06 0.00 0.00 56.10 53.80 2voc s TRP 25 Cb -0.16 -0.30 0.06 0.00 -1.16 0.00 0.00 33.47 31.91 2voc s TRP 25 CO 0.13 -0.81 0.59 0.00 -4.06 0.00 0.00 176.95 172.79 2voc s ALA 26 N -3.95 -1.46 0.45 2.67 0.00 -1.26 -0.77 121.76 117.44 2voc s ALA 26 Ca 0.33 1.64 0.19 0.00 0.00 0.00 0.00 51.96 54.12 2voc s ALA 26 Cb 0.04 -0.92 1.16 0.00 0.00 0.00 0.00 23.12 23.39 2voc s ALA 26 CO 0.13 -0.28 1.92 -1.35 0.00 0.00 0.00 175.76 176.18 2voc h PRO 27 N 5.11 0.30 0.00 0.00 0.11 -1.98 -1.28 132.00 134.25 2voc h PRO 27 Ca -0.28 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 2voc h PRO 27 Cb 1.17 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2voc h PRO 27 CO 0.14 0.20 -0.25 2.35 -0.21 0.00 0.00 178.00 180.23 2voc h TRP 28 N 0.30 0.00 -2.74 0.65 7.01 -2.03 -3.33 115.95 115.81 2voc h TRP 28 Ca 0.37 0.00 -0.70 0.00 2.11 0.00 0.00 58.89 60.67 2voc h TRP 28 Cb 1.01 0.00 -0.19 0.00 -2.10 0.00 0.00 29.16 27.88 2voc h TRP 28 CO -0.00 0.25 0.58 0.00 -2.79 0.00 0.00 178.44 176.48 2voc n GLY 30 N 5.19 -1.54 0.34 0.00 0.00 -1.25 -1.64 105.19 106.29 2voc n GLY 30 Ca 0.15 1.02 0.17 0.00 0.00 0.00 0.00 46.02 47.36 2voc n GLY 30 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2voc h PRO 31 N 0.00 0.00 0.00 1.61 0.11 -1.93 -1.35 132.00 130.43 2voc h PRO 31 Ca 0.52 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.54 2voc h PRO 31 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 2voc h PRO 31 CO -0.98 0.00 -0.40 0.66 -0.21 0.00 0.00 178.00 177.07 2voc h SER 32 N 0.00 0.00 0.85 -2.05 4.64 -1.60 -3.11 113.55 112.29 2voc h SER 32 Ca 0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 2voc h SER 32 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2voc h SER 32 CO -0.00 0.40 -0.47 0.11 -0.87 0.00 0.00 176.83 176.00 2voc h LYS 33 N 0.00 0.00 -0.10 4.77 1.57 -1.25 -2.98 116.57 118.59 2voc h LYS 33 Ca -0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2voc h LYS 33 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 2voc h LYS 33 CO 0.05 0.47 0.12 0.52 -0.57 0.00 0.00 179.45 180.04 2voc h MET 34 N 0.00 0.00 0.00 3.15 2.86 -1.53 -1.83 114.93 117.58 2voc h MET 34 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2voc h MET 34 Cb 1.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 2voc h MET 34 CO 0.06 0.00 -0.12 0.82 1.06 0.00 0.00 176.91 178.74 2voc h ILE 35 N 0.00 0.44 0.30 -1.22 1.08 -1.68 -3.37 117.51 113.06 2voc h ILE 35 Ca 0.05 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 2voc h ILE 35 Cb 0.28 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 2voc h ILE 35 CO -0.00 0.11 -0.15 0.00 -0.69 0.00 0.00 178.15 177.43 2voc h ALA 36 N 1.88 -0.41 -0.50 1.87 0.00 -1.54 -1.58 119.26 118.98 2voc h ALA 36 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2voc h ALA 36 Cb 0.42 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2voc h ALA 36 CO 0.02 -0.71 0.33 -1.00 0.00 0.00 0.00 179.25 177.89 2voc h PRO 37 N -0.44 0.42 -0.29 0.00 0.13 -1.80 -1.28 132.00 128.73 2voc h PRO 37 Ca -0.04 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2voc h PRO 37 Cb 0.34 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 2voc h PRO 37 CO 0.07 0.28 0.18 0.28 -0.23 0.00 0.00 178.00 178.57 2voc h VAL 38 N 0.43 1.11 -0.61 1.56 2.07 -1.65 -0.93 116.25 118.23 2voc h VAL 38 Ca 0.22 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2voc h VAL 38 Cb 0.31 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2voc h VAL 38 CO -0.06 0.11 0.17 -0.07 0.02 0.00 0.00 177.57 177.74 2voc h LEU 39 N 0.37 0.87 -1.06 2.57 3.38 -0.55 0.11 115.31 120.99 2voc h LEU 39 Ca 0.10 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2voc h LEU 39 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2voc h LEU 39 CO -0.02 0.83 0.04 -0.33 0.09 0.00 0.00 178.44 179.05 2voc h GLU 40 N 0.90 0.71 -0.19 1.13 4.39 -0.87 0.58 114.58 121.23 2voc h GLU 40 Ca 0.20 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 2voc h GLU 40 Cb 0.29 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2voc h GLU 40 CO -0.00 0.69 -0.35 0.93 -1.16 0.00 0.00 179.01 179.12 2voc h GLU 41 N 0.68 0.58 -0.98 2.33 5.08 -0.59 -1.50 114.58 120.18 2voc h GLU 41 Ca 0.14 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.19 2voc h GLU 41 Cb 0.35 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 2voc h GLU 41 CO 0.01 0.98 0.63 -0.07 -1.00 0.00 0.00 179.01 179.56 2voc h LEU 42 N 0.25 1.02 -0.32 1.33 3.38 -0.70 -0.53 115.31 119.74 2voc h LEU 42 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2voc h LEU 42 Cb 0.95 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2voc h LEU 42 CO 0.08 0.67 -0.03 -0.78 0.09 0.00 0.00 178.44 178.46 2voc h ASP 43 N 1.17 0.59 -0.75 -0.43 3.58 -0.69 0.00 116.42 119.88 2voc h ASP 43 Ca 0.41 -0.33 0.05 0.00 0.42 0.00 0.00 57.03 57.58 2voc h ASP 43 Cb 0.12 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 40.97 2voc h ASP 43 CO -0.15 0.78 0.49 1.56 -2.88 0.00 0.00 179.24 179.04 2voc h GLN 44 N 0.38 0.83 0.04 0.28 4.20 -0.76 0.65 115.11 120.73 2voc h GLN 44 Ca 0.09 -0.05 -0.25 0.00 0.06 0.00 0.00 58.65 58.50 2voc h GLN 44 Cb 0.50 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2voc h GLN 44 CO 0.02 0.55 -1.25 1.49 -0.67 0.00 0.00 178.83 178.97 2voc h GLU 45 N 0.86 0.08 0.00 1.46 4.81 -0.73 -3.41 114.58 117.65 2voc h GLU 45 Ca 0.31 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 2voc h GLU 45 Cb 0.16 0.05 -0.24 0.00 0.63 0.00 0.00 28.75 29.35 2voc h GLU 45 CO -0.10 0.96 -0.65 0.00 -0.73 0.00 0.00 179.01 178.49 2voc n MET 46 N -3.34 0.00 0.31 1.92 0.00 -0.05 -4.94 117.12 111.02 2voc n MET 46 Ca -0.07 -1.42 0.20 0.00 0.00 0.00 0.00 57.70 56.41 2voc n MET 46 Cb 0.99 0.13 0.96 0.00 0.00 0.00 0.00 33.22 35.30 2voc n MET 46 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2voc h GLY 47 N 0.48 0.00 2.00 3.17 0.00 -0.96 -1.14 103.07 106.63 2voc h GLY 47 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2voc h GLY 47 CO -0.06 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.93 2voc h ASP 48 N 0.00 0.00 0.00 0.19 3.32 -1.92 -3.32 116.42 114.69 2voc h ASP 48 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2voc h ASP 48 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2voc h ASP 48 CO 0.00 0.00 -0.49 0.29 -1.72 0.00 0.00 179.24 177.32 2voc n LYS 49 N -2.63 4.02 -4.39 3.56 5.02 -0.57 -4.99 118.16 118.18 2voc n LYS 49 Ca 0.05 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 2voc n LYS 49 Cb 0.46 -0.82 -0.16 0.00 -0.02 0.00 0.00 35.03 34.48 2voc n LYS 49 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2voc s LEU 50 N -2.52 1.51 -0.17 -0.35 2.96 -0.54 -4.61 118.68 114.96 2voc s LEU 50 Ca 0.01 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 2voc s LEU 50 Cb 0.03 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 2voc s LEU 50 CO 0.19 -0.00 0.11 -0.75 -1.32 0.00 0.00 176.35 174.57 2voc s LYS 51 N 0.75 3.92 -0.14 1.98 2.20 -0.86 -4.50 119.74 123.09 2voc s LYS 51 Ca -0.13 -0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.22 2voc s LYS 51 Cb -0.15 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.87 2voc s LYS 51 CO 0.02 0.41 -0.10 0.42 -0.36 0.00 0.00 175.35 175.75 2voc s ILE 52 N 0.02 3.36 -0.11 5.43 1.01 -1.26 -0.91 121.20 128.73 2voc s ILE 52 Ca 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2voc s ILE 52 Cb -0.12 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 39.93 2voc s ILE 52 CO -0.00 0.51 -0.16 -0.69 0.00 0.00 0.00 174.94 174.61 2voc s VAL 53 N 0.35 1.55 0.01 2.92 1.01 0.24 -0.13 120.40 126.35 2voc s VAL 53 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2voc s VAL 53 Cb -0.15 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2voc s VAL 53 CO 0.05 0.45 0.08 -0.54 0.00 0.00 0.00 175.10 175.14 2voc s LYS 54 N 1.00 3.04 -0.06 2.72 1.02 0.32 -0.66 119.74 127.12 2voc s LYS 54 Ca -0.06 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.39 2voc s LYS 54 Cb -0.15 -2.84 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2voc s LYS 54 CO -0.02 0.63 0.06 -1.50 -0.92 0.00 0.00 175.35 173.61 2voc s ILE 55 N -1.23 -0.09 -0.51 2.17 2.07 0.12 -0.59 121.20 123.14 2voc s ILE 55 Ca 0.24 0.34 -0.28 0.00 -1.41 0.00 0.00 60.65 59.53 2voc s ILE 55 Cb -0.12 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.27 2voc s ILE 55 CO 0.15 0.12 1.26 -0.62 -1.91 0.00 0.00 174.94 173.94 2voc s ASP 56 N 2.16 6.42 0.25 4.50 -1.08 -1.26 -2.05 116.67 125.60 2voc s ASP 56 Ca 0.05 0.39 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 2voc s ASP 56 Cb -0.13 -2.55 0.82 0.00 -1.46 0.00 0.00 42.92 39.61 2voc s ASP 56 CO -0.04 -1.45 1.76 -0.37 0.52 0.00 0.00 175.17 175.59 2voc h VAL 57 N 6.29 0.00 -0.13 1.11 -1.51 -1.16 -0.77 116.25 120.07 2voc h VAL 57 Ca -0.25 -0.47 -0.13 0.00 -1.23 0.00 0.00 66.70 64.62 2voc h VAL 57 Cb 1.07 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 2voc h VAL 57 CO 1.15 0.00 -0.47 0.44 -1.23 0.00 0.00 177.57 177.46 2voc h ASP 58 N 0.00 0.36 0.25 4.19 3.32 -1.90 -2.91 116.42 119.72 2voc h ASP 58 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2voc h ASP 58 Cb 0.68 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2voc h ASP 58 CO 0.00 0.78 -0.82 -0.62 -1.72 0.00 0.00 179.24 176.85 2voc n GLU 59 N -3.98 0.05 -3.30 3.56 -0.58 -0.87 -4.64 120.64 110.88 2voc n GLU 59 Ca -0.02 -0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.46 2voc n GLU 59 Cb 0.53 -1.51 -0.08 0.00 -0.57 0.00 0.00 31.44 29.81 2voc n GLU 59 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2voc n ASN 60 N -1.57 0.33 0.06 1.62 3.02 -0.35 -4.88 115.26 113.48 2voc n ASN 60 Ca 0.04 -2.66 0.13 0.00 -0.03 0.00 0.00 54.58 52.06 2voc n ASN 60 Cb 0.35 -0.62 0.42 0.00 -0.61 0.00 0.00 39.78 39.33 2voc n ASN 60 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2voc n GLN 61 N 1.86 0.16 -0.08 3.52 -0.06 -1.11 -3.67 117.38 118.00 2voc n GLN 61 Ca 0.25 0.11 -0.09 0.00 -2.00 0.00 0.00 57.00 55.27 2voc n GLN 61 Cb 0.50 -1.67 0.07 0.00 -4.06 0.00 0.00 30.24 25.08 2voc n GLN 61 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2voc h GLU 62 N 0.00 0.78 -0.22 3.69 4.81 -1.93 -3.26 114.58 118.45 2voc h GLU 62 Ca 0.00 -0.34 -0.17 0.00 -0.13 0.00 0.00 59.36 58.72 2voc h GLU 62 Cb 0.64 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 2voc h GLU 62 CO 0.00 0.96 -0.55 1.15 -0.73 0.00 0.00 179.01 179.84 2voc h THR 63 N 0.66 1.31 -0.90 0.32 2.02 -1.91 -2.76 112.91 111.65 2voc h THR 63 Ca 0.08 -1.78 0.02 0.00 0.77 0.00 0.00 66.41 65.50 2voc h THR 63 Cb 0.81 1.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.90 2voc h THR 63 CO 0.07 0.56 0.59 0.00 0.37 0.00 0.00 175.52 177.11 2voc h ALA 64 N 0.88 1.15 -0.51 6.16 0.00 -1.75 -1.20 119.26 123.98 2voc h ALA 64 Ca 0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2voc h ALA 64 Cb 1.12 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2voc h ALA 64 CO 0.11 0.51 0.06 0.78 0.00 0.00 0.00 179.25 180.71 2voc h GLY 65 N 1.19 0.88 2.00 0.00 0.00 -1.61 -1.27 103.07 104.26 2voc h GLY 65 Ca 0.34 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2voc h GLY 65 CO -0.09 0.51 -0.07 0.50 0.00 0.00 0.00 176.54 177.40 2voc h LYS 66 N 0.78 0.00 -0.35 4.80 1.57 -1.06 -2.80 116.57 119.50 2voc h LYS 66 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2voc h LYS 66 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2voc h LYS 66 CO 0.01 0.07 0.00 0.66 -0.57 0.00 0.00 179.45 179.62 2voc n TYR 67 N -3.16 0.52 -1.57 -1.35 4.01 -0.76 -4.98 117.16 109.87 2voc n TYR 67 Ca 0.01 -0.53 -0.16 0.00 -0.16 0.00 0.00 57.90 57.07 2voc n TYR 67 Cb 0.41 -0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.33 2voc n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2voc n GLY 68 N 0.48 1.40 3.65 2.72 0.00 -0.85 -4.95 105.19 107.64 2voc n GLY 68 Ca 0.13 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2voc n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2voc s VAL 69 N -2.63 3.68 -0.08 1.61 1.01 -0.54 -4.87 120.40 118.59 2voc s VAL 69 Ca 0.00 0.81 0.17 0.00 0.00 0.00 0.00 61.98 62.96 2voc s VAL 69 Cb 0.00 -3.57 -0.26 0.00 0.00 0.00 0.00 36.38 32.55 2voc s VAL 69 CO 0.00 -0.12 0.41 0.23 0.00 0.00 0.00 175.10 175.61 2voc n MET 70 N 7.22 0.59 -3.85 2.72 2.81 -1.26 -4.63 117.12 120.72 2voc n MET 70 Ca 0.17 -0.15 -0.09 0.00 -1.81 0.00 0.00 57.70 55.83 2voc n MET 70 Cb 0.44 -1.41 -0.04 0.00 -0.71 0.00 0.00 33.22 31.50 2voc n MET 70 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2voc s SER 71 N -3.91 -0.20 0.01 7.83 1.04 -1.26 -5.17 113.70 112.04 2voc s SER 71 Ca -0.05 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.75 2voc s SER 71 Cb 0.11 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 2voc s SER 71 CO 0.72 -1.14 -0.09 0.27 0.98 0.00 0.00 173.24 173.98 2voc s ILE 72 N -3.93 0.70 0.63 -1.02 -4.36 -1.26 -3.91 121.20 108.04 2voc s ILE 72 Ca 0.14 -0.62 -0.10 0.00 -0.26 0.00 0.00 60.65 59.80 2voc s ILE 72 Cb -0.02 -0.64 -0.02 0.00 1.25 0.00 0.00 42.46 43.03 2voc s ILE 72 CO 0.03 0.02 1.02 -2.16 0.24 0.00 0.00 174.94 174.10 2voc s PRO 73 N -0.67 3.35 -0.02 0.37 0.04 -1.26 -4.76 135.00 132.05 2voc s PRO 73 Ca 0.00 0.58 0.01 0.00 0.04 0.00 0.00 61.00 61.63 2voc s PRO 73 Cb -0.05 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.40 2voc s PRO 73 CO 0.00 -0.67 -0.01 0.99 0.04 0.00 0.00 177.00 177.35 2voc s THR 74 N -3.18 0.18 0.02 1.26 2.01 -1.05 -0.74 115.64 114.14 2voc s THR 74 Ca 0.55 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.63 2voc s THR 74 Cb -0.11 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 2voc s THR 74 CO 0.52 0.11 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.67 2voc s LEU 75 N 0.64 2.82 0.03 4.42 1.02 0.73 -0.62 118.68 127.71 2voc s LEU 75 Ca -0.06 -0.32 0.07 0.00 0.02 0.00 0.00 54.13 53.84 2voc s LEU 75 Cb -0.09 -1.63 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 2voc s LEU 75 CO -0.01 0.27 -0.20 -0.76 0.02 0.00 0.00 176.35 175.66 2voc s LEU 76 N -1.41 2.13 -0.15 1.79 1.43 -0.07 -0.49 118.68 121.90 2voc s LEU 76 Ca 0.16 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 2voc s LEU 76 Cb -0.11 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 2voc s LEU 76 CO 0.06 0.18 0.10 -0.69 0.23 0.00 0.00 176.35 176.23 2voc s VAL 77 N -0.72 5.12 0.06 -1.59 1.01 -0.50 -0.56 120.40 123.23 2voc s VAL 77 Ca 0.07 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2voc s VAL 77 Cb -0.08 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2voc s VAL 77 CO 0.01 0.53 -0.20 -0.76 0.00 0.00 0.00 175.10 174.68 2voc s LEU 78 N -0.26 2.20 -0.18 3.92 1.02 0.05 -0.10 118.68 125.33 2voc s LEU 78 Ca 0.10 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.70 2voc s LEU 78 Cb -0.12 -0.89 0.03 0.00 0.02 0.00 0.00 46.19 45.23 2voc s LEU 78 CO 0.01 0.12 -0.11 -0.75 0.02 0.00 0.00 176.35 175.64 2voc s LYS 79 N -1.33 2.07 -1.56 1.70 2.47 -0.04 -0.92 119.74 122.14 2voc s LYS 79 Ca 0.06 -0.70 -0.13 0.00 -1.56 0.00 0.00 55.97 53.65 2voc s LYS 79 Cb -0.09 -2.25 0.09 0.00 -1.46 0.00 0.00 37.83 34.12 2voc s LYS 79 CO 0.02 -0.35 0.82 -0.25 0.16 0.00 0.00 175.35 175.75 2voc n ASP 80 N 4.74 -3.43 0.00 1.43 8.00 -0.49 -1.81 116.55 124.99 2voc n ASP 80 Ca -0.15 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.46 2voc n ASP 80 Cb 0.48 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 2voc n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2voc n GLY 81 N -1.62 0.80 3.59 0.44 0.00 -0.98 -4.79 105.19 102.64 2voc n GLY 81 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2voc n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2voc s GLU 82 N -0.29 3.83 -0.02 1.61 2.12 -0.75 -4.97 118.70 120.24 2voc s GLU 82 Ca 0.00 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 2voc s GLU 82 Cb 0.00 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.24 2voc s GLU 82 CO 0.00 0.29 1.48 0.08 -0.54 0.00 0.00 175.26 176.57 2voc s VAL 83 N 0.30 3.63 -0.09 3.70 1.01 -1.26 -0.86 120.40 126.83 2voc s VAL 83 Ca 0.01 0.96 0.03 0.00 0.00 0.00 0.00 61.98 62.98 2voc s VAL 83 Cb -0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2voc s VAL 83 CO 0.01 -0.03 0.11 1.33 0.00 0.00 0.00 175.10 176.52 2voc n VAL 84 N 4.92 0.00 -3.85 2.92 0.24 0.86 -4.94 118.33 118.47 2voc n VAL 84 Ca 0.15 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 2voc n VAL 84 Cb 0.43 0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 2voc n VAL 84 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2voc s GLU 85 N -1.70 0.61 -0.02 7.34 0.41 -0.98 -4.96 118.70 119.39 2voc s GLU 85 Ca 0.00 -0.51 0.03 0.00 -0.41 0.00 0.00 54.97 54.08 2voc s GLU 85 Cb 0.02 0.26 -0.00 0.00 -1.78 0.00 0.00 34.13 32.63 2voc s GLU 85 CO 0.14 -0.17 -0.10 0.99 -0.49 0.00 0.00 175.26 175.63 2voc s THR 86 N -2.01 0.86 -0.22 3.63 2.01 -1.26 -1.41 115.64 117.24 2voc s THR 86 Ca -0.09 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 2voc s THR 86 Cb -0.04 -0.75 0.07 0.00 0.01 0.00 0.00 72.50 71.79 2voc s THR 86 CO -0.01 0.26 0.04 -0.55 -0.69 0.00 0.00 174.62 173.67 2voc s SER 87 N 0.05 3.21 -0.20 3.53 0.15 0.36 -5.01 113.70 115.79 2voc s SER 87 Ca -0.01 -1.01 -0.13 0.00 0.70 0.00 0.00 55.95 55.50 2voc s SER 87 Cb -0.08 -0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 63.50 2voc s SER 87 CO 0.00 -0.32 0.25 -0.69 1.20 0.00 0.00 173.24 173.68 2voc s VAL 88 N 1.78 5.32 0.00 4.45 1.01 -1.26 -0.19 120.40 131.51 2voc s VAL 88 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2voc s VAL 88 Cb -0.17 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2voc s VAL 88 CO -0.12 0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2voc n GLY 89 N 3.74 0.68 3.75 4.51 0.00 0.09 -4.92 105.19 113.03 2voc n GLY 89 Ca -0.13 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 2voc n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2voc s PHE 90 N -1.35 3.13 0.02 1.61 5.36 -1.26 -4.72 117.98 120.77 2voc s PHE 90 Ca 0.00 1.17 0.03 0.00 -0.96 0.00 0.00 56.93 57.16 2voc s PHE 90 Cb 0.00 -3.71 -0.02 0.00 -0.34 0.00 0.00 43.02 38.96 2voc s PHE 90 CO 0.00 -2.21 -0.08 0.15 -1.46 0.00 0.00 175.22 171.62 2voc s LYS 91 N -0.47 0.59 0.81 10.12 1.02 -1.26 -5.16 119.74 125.39 2voc s LYS 91 Ca 0.57 -0.52 -0.12 0.00 0.02 0.00 0.00 55.97 55.92 2voc s LYS 91 Cb -0.39 -0.50 0.07 0.00 -0.52 0.00 0.00 37.83 36.49 2voc s LYS 91 CO 0.42 0.12 1.10 -1.25 -0.92 0.00 0.00 175.35 174.83 2voc s PRO 92 N -0.87 2.01 0.28 -1.68 0.04 -1.26 -4.80 135.00 128.72 2voc s PRO 92 Ca -0.02 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 61.60 2voc s PRO 92 Cb -0.06 -1.91 0.63 0.00 0.04 0.00 0.00 34.50 33.20 2voc s PRO 92 CO 0.00 -1.66 1.62 -0.22 0.04 0.00 0.00 177.00 176.79 2voc h LYS 93 N -1.12 0.12 -0.30 4.56 3.64 -1.99 -2.27 116.57 119.20 2voc h LYS 93 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2voc h LYS 93 Cb 1.27 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2voc h LYS 93 CO 0.60 0.08 0.19 1.49 -2.27 0.00 0.00 179.45 179.54 2voc h GLU 94 N 0.12 0.41 -0.64 1.90 4.22 -1.99 0.14 114.58 118.75 2voc h GLU 94 Ca 0.52 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.94 2voc h GLU 94 Cb 1.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 2voc h GLU 94 CO -0.73 0.30 0.42 0.00 -2.18 0.00 0.00 179.01 176.82 2voc h ALA 95 N 1.09 0.81 -0.32 2.92 0.00 -1.79 -1.21 119.26 120.76 2voc h ALA 95 Ca 0.11 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2voc h ALA 95 Cb -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2voc h ALA 95 CO -0.02 0.22 -0.39 -0.07 0.00 0.00 0.00 179.25 178.99 2voc h LEU 96 N 0.84 0.90 -0.55 0.00 3.38 -1.05 -2.31 115.31 116.53 2voc h LEU 96 Ca 0.24 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.81 2voc h LEU 96 Cb -0.07 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.35 2voc h LEU 96 CO -0.06 1.21 0.14 -0.61 0.09 0.00 0.00 178.44 179.20 2voc h GLN 97 N 0.62 0.27 -0.63 1.13 4.15 -0.59 -1.16 115.11 118.90 2voc h GLN 97 Ca 0.04 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2voc h GLN 97 Cb 0.98 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.58 2voc h GLN 97 CO 0.09 0.18 0.38 1.49 -1.93 0.00 0.00 178.83 179.05 2voc h GLU 98 N 0.28 0.86 -0.32 1.69 4.81 -1.07 0.24 114.58 121.07 2voc h GLU 98 Ca 0.28 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2voc h GLU 98 Cb 0.38 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2voc h GLU 98 CO -0.34 0.61 0.07 -0.07 -0.73 0.00 0.00 179.01 178.55 2voc h LEU 99 N 0.86 0.03 -0.53 1.64 3.38 -0.93 -2.19 115.31 117.56 2voc h LEU 99 Ca 0.23 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2voc h LEU 99 Cb -0.03 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2voc h LEU 99 CO -0.04 0.05 0.16 0.58 0.09 0.00 0.00 178.44 179.28 2voc h VAL 100 N 0.19 1.24 -0.07 1.22 2.07 -0.95 -3.18 116.25 116.76 2voc h VAL 100 Ca 0.15 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2voc h VAL 100 Cb 0.16 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2voc h VAL 100 CO -0.19 0.30 -0.09 0.78 0.02 0.00 0.00 177.57 178.38 2voc h ASN 101 N 0.74 0.09 0.00 0.57 2.35 -0.67 0.22 115.58 118.88 2voc h ASN 101 Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2voc h ASN 101 Cb 0.29 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2voc h ASN 101 CO -0.00 0.20 0.07 0.29 -1.65 0.00 0.00 177.43 176.33 2voc n LYS 102 N -4.37 0.11 0.00 0.81 5.02 -0.85 -2.81 118.16 116.06 2voc n LYS 102 Ca -0.02 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2voc n LYS 102 Cb 0.20 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 2voc n LYS 102 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2voc n HIS 103 N -2.10 0.00 -2.49 2.13 8.25 0.76 -5.03 115.22 116.74 2voc n HIS 103 Ca -0.01 -0.40 -0.25 0.00 -0.26 0.00 0.00 57.72 56.80 2voc n HIS 103 Cb 0.10 -0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.20 2voc n HIS 103 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2voc s LEU 104 N -0.80 3.21 0.00 2.41 2.01 -1.12 -4.97 118.68 119.41 2voc s LEU 104 Ca 0.00 0.45 0.00 0.00 0.01 0.00 0.00 54.13 54.59 2voc s LEU 104 Cb 0.00 -3.25 0.00 0.00 0.01 0.00 0.00 46.19 42.95 2voc s LEU 104 CO 0.00 -1.14 0.00 0.18 1.01 0.00 0.00 176.35 176.40