#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hsh s VAL 2 N 0.00 5.38 -0.42 1.12 1.01 -1.26 -4.45 120.40 121.77 2hsh s VAL 2 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 61.98 62.07 2hsh s VAL 2 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.88 2hsh s VAL 2 CO 0.00 0.46 0.85 -0.54 0.00 0.00 0.00 175.10 175.87 2hsh s LYS 3 N 0.08 3.60 -0.35 2.72 1.02 0.20 -4.92 119.74 122.09 2hsh s LYS 3 Ca 0.13 0.19 -0.28 0.00 0.02 0.00 0.00 55.97 56.03 2hsh s LYS 3 Cb -0.12 -3.88 0.02 0.00 -0.52 0.00 0.00 37.83 33.33 2hsh s LYS 3 CO 0.02 -1.05 1.03 -1.14 -0.92 0.00 0.00 175.35 173.29 2hsh s GLN 4 N 3.41 3.95 -0.18 1.68 2.00 -1.26 -1.10 119.66 128.16 2hsh s GLN 4 Ca 0.34 0.85 -0.12 0.00 -2.00 0.00 0.00 55.36 54.43 2hsh s GLN 4 Cb -0.12 -3.78 -0.05 0.00 0.80 0.00 0.00 33.01 29.87 2hsh s GLN 4 CO 0.22 -0.98 0.21 0.42 -0.50 0.00 0.00 175.29 174.66 2hsh s ILE 5 N 3.70 5.36 -0.07 -2.34 -1.09 -0.55 -4.96 121.20 121.24 2hsh s ILE 5 Ca 0.43 0.37 0.12 0.00 -2.23 0.00 0.00 60.65 59.34 2hsh s ILE 5 Cb -0.11 -3.55 0.23 0.00 -1.58 0.00 0.00 42.46 37.44 2hsh s ILE 5 CO 0.19 0.41 1.11 -0.62 -1.23 0.00 0.00 174.94 174.79 2hsh n GLU 6 N 3.59 0.58 -3.53 2.79 -0.58 -1.26 -4.59 120.64 117.63 2hsh n GLU 6 Ca -0.14 -1.98 -0.08 0.00 -0.42 0.00 0.00 57.16 54.55 2hsh n GLU 6 Cb 0.52 -0.83 -0.02 0.00 -0.57 0.00 0.00 31.44 30.53 2hsh n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2hsh s SER 7 N -2.05 -0.31 0.33 1.62 1.04 -1.26 -4.95 113.70 108.12 2hsh s SER 7 Ca 0.21 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.70 2hsh s SER 7 Cb 0.21 0.32 0.57 0.00 0.10 0.00 0.00 66.02 67.23 2hsh s SER 7 CO -0.04 -0.51 1.93 0.50 0.98 0.00 0.00 173.24 176.10 2hsh h LYS 8 N 2.05 0.74 -0.10 4.02 3.64 -1.95 -1.53 116.57 123.44 2hsh h LYS 8 Ca -0.19 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 58.95 2hsh h LYS 8 Cb 1.22 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2hsh h LYS 8 CO 0.29 0.60 -0.58 1.79 -2.27 0.00 0.00 179.45 179.28 2hsh h THR 9 N 0.74 1.36 -0.43 1.00 1.35 -1.99 -0.88 112.91 114.06 2hsh h THR 9 Ca 0.18 -1.90 -0.09 0.00 -0.55 0.00 0.00 66.41 64.05 2hsh h THR 9 Cb 0.12 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 2hsh h THR 9 CO -0.02 0.57 -0.10 0.00 -0.25 0.00 0.00 175.52 175.72 2hsh h ALA 10 N 1.16 1.01 -0.08 6.62 0.00 -1.88 -0.20 119.26 125.88 2hsh h ALA 10 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2hsh h ALA 10 Cb 1.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2hsh h ALA 10 CO 0.09 0.60 0.05 0.35 0.00 0.00 0.00 179.25 180.34 2hsh h PHE 11 N 0.70 0.11 -0.66 0.00 3.57 -0.92 -1.09 116.94 118.65 2hsh h PHE 11 Ca 0.12 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2hsh h PHE 11 Cb 0.57 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2hsh h PHE 11 CO 0.03 0.10 0.28 1.96 -2.23 0.00 0.00 178.31 178.45 2hsh h GLN 12 N 0.08 0.98 -0.28 1.11 4.20 -1.09 -1.75 115.11 118.36 2hsh h GLN 12 Ca 0.03 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 2hsh h GLN 12 Cb 0.02 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2hsh h GLN 12 CO -0.01 0.80 -0.05 0.93 -0.67 0.00 0.00 178.83 179.84 2hsh h GLU 13 N 0.93 0.44 -0.37 1.46 4.39 -0.90 -1.94 114.58 118.59 2hsh h GLU 13 Ca 0.22 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 2hsh h GLU 13 Cb 0.18 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2hsh h GLU 13 CO -0.02 0.51 -0.01 0.00 -1.16 0.00 0.00 179.01 178.33 2hsh h ALA 14 N 1.54 0.51 -0.45 3.43 0.00 -0.79 0.67 119.26 124.16 2hsh h ALA 14 Ca 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2hsh h ALA 14 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2hsh h ALA 14 CO 0.02 0.28 0.28 -0.07 0.00 0.00 0.00 179.25 179.76 2hsh h LEU 15 N 0.48 0.53 0.14 0.00 3.38 -1.03 -2.26 115.31 116.56 2hsh h LEU 15 Ca 0.11 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.75 2hsh h LEU 15 Cb 0.48 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.12 2hsh h LEU 15 CO 0.02 0.41 -1.29 0.44 0.09 0.00 0.00 178.44 178.11 2hsh h ASP 16 N 0.62 0.87 1.00 -0.43 3.32 -1.03 -3.28 116.42 117.48 2hsh h ASP 16 Ca 0.16 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.39 2hsh h ASP 16 Cb -0.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.24 2hsh h ASP 16 CO -0.03 1.63 0.00 0.00 -1.72 0.00 0.00 179.24 179.11 2hsh h ALA 17 N 0.28 1.00 0.00 3.45 0.00 -0.74 -2.78 119.26 120.46 2hsh h ALA 17 Ca -0.20 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2hsh h ALA 17 Cb 1.97 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2hsh h ALA 17 CO 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.48 2hsh h ALA 18 N 2.06 1.15 -0.80 0.00 0.00 -1.47 -3.48 119.26 116.72 2hsh h ALA 18 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hsh h ALA 18 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2hsh h ALA 18 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2hsh n GLY 19 N -0.95 3.00 0.85 0.00 0.00 -1.05 -1.73 105.19 105.31 2hsh n GLY 19 Ca -0.02 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.88 2hsh n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hsh n ASP 20 N 5.60 2.50 -4.78 1.61 5.68 -1.26 -4.09 116.55 121.80 2hsh n ASP 20 Ca 0.00 -1.95 -0.36 0.00 -0.50 0.00 0.00 54.79 51.98 2hsh n ASP 20 Cb 0.00 -0.27 -0.04 0.00 -1.14 0.00 0.00 41.12 39.66 2hsh n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2hsh s LYS 21 N -1.45 4.19 0.31 0.11 1.02 -0.71 -4.82 119.74 118.40 2hsh s LYS 21 Ca 0.33 1.49 -0.29 0.00 0.02 0.00 0.00 55.97 57.52 2hsh s LYS 21 Cb 0.17 -2.55 -0.12 0.00 -0.52 0.00 0.00 37.83 34.82 2hsh s LYS 21 CO 0.24 -0.11 1.43 -0.11 -0.92 0.00 0.00 175.35 175.88 2hsh n LEU 22 N -0.05 3.90 -4.23 3.17 7.94 -1.26 -4.57 117.00 121.90 2hsh n LEU 22 Ca 0.05 1.18 -0.33 0.00 -1.11 0.00 0.00 56.01 55.80 2hsh n LEU 22 Cb 0.50 -1.53 -0.16 0.00 0.53 0.00 0.00 43.42 42.76 2hsh n LEU 22 CO 0.45 -0.20 -0.52 -0.69 -1.11 0.00 0.00 177.39 175.33 2hsh s VAL 23 N -0.59 2.35 -0.19 1.96 1.01 -0.04 -1.09 120.40 123.81 2hsh s VAL 23 Ca 0.60 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 2hsh s VAL 23 Cb -0.55 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2hsh s VAL 23 CO 0.56 0.54 -0.05 -0.69 0.00 0.00 0.00 175.10 175.46 2hsh s VAL 24 N 0.71 3.45 -0.21 2.92 1.01 0.33 -0.65 120.40 127.97 2hsh s VAL 24 Ca -0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2hsh s VAL 24 Cb -0.16 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 2hsh s VAL 24 CO 0.01 0.45 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 2hsh s VAL 25 N 1.09 3.41 -0.35 2.92 1.01 0.54 -0.53 120.40 128.49 2hsh s VAL 25 Ca 0.01 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 2hsh s VAL 25 Cb -0.15 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2hsh s VAL 25 CO -0.00 0.43 0.63 -0.62 0.00 0.00 0.00 175.10 175.54 2hsh s ASP 26 N 1.38 6.43 -0.25 3.32 2.15 -0.11 -1.71 116.67 127.88 2hsh s ASP 26 Ca 0.05 0.19 -0.14 0.00 0.43 0.00 0.00 52.55 53.08 2hsh s ASP 26 Cb -0.14 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2hsh s ASP 26 CO -0.02 -0.57 0.31 -0.36 -0.17 0.00 0.00 175.17 174.36 2hsh s PHE 27 N 2.68 3.29 0.07 -5.34 0.08 0.00 -0.91 117.98 117.85 2hsh s PHE 27 Ca 0.24 0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.67 2hsh s PHE 27 Cb -0.15 -2.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 2hsh s PHE 27 CO 0.14 -0.11 -0.05 0.45 -0.10 0.00 0.00 175.22 175.55 2hsh s SER 28 N 1.41 0.76 0.09 1.36 0.15 -0.63 -2.09 113.70 114.75 2hsh s SER 28 Ca 0.13 -0.97 0.03 0.00 0.70 0.00 0.00 55.95 55.85 2hsh s SER 28 Cb -0.15 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 2hsh s SER 28 CO 0.09 -0.52 -0.09 0.00 1.20 0.00 0.00 173.24 173.91 2hsh s ALA 29 N -3.61 1.04 0.17 5.45 0.00 -1.26 -1.27 121.76 122.28 2hsh s ALA 29 Ca 0.07 -1.17 0.28 0.00 0.00 0.00 0.00 51.96 51.15 2hsh s ALA 29 Cb 0.06 0.05 1.16 0.00 0.00 0.00 0.00 23.12 24.38 2hsh s ALA 29 CO -0.07 -0.06 1.92 1.79 0.00 0.00 0.00 175.76 179.34 2hsh h THR 30 N 3.57 0.36 -0.01 0.00 1.35 -2.00 -2.48 112.91 113.70 2hsh h THR 30 Ca -0.37 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2hsh h THR 30 Cb 1.19 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2hsh h THR 30 CO 0.53 0.13 -0.03 -2.67 -0.25 0.00 0.00 175.52 173.24 2hsh n TRP 31 N -3.32 0.00 -3.22 4.73 4.27 -1.26 -4.82 117.44 113.81 2hsh n TRP 31 Ca -0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 2hsh n TRP 31 Cb 0.36 -0.04 -0.08 0.00 -1.36 0.00 0.00 31.31 30.19 2hsh n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2hsh h GLY 33 N 9.37 -0.46 1.66 0.00 0.00 -1.87 -2.88 103.07 108.90 2hsh h GLY 33 Ca -0.26 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.27 2hsh h GLY 33 CO 0.86 -0.17 0.16 -2.55 0.00 0.00 0.00 176.54 174.84 2hsh h PRO 34 N -0.47 0.17 -0.36 4.80 0.11 -1.92 -1.67 132.00 132.65 2hsh h PRO 34 Ca -0.04 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.08 2hsh h PRO 34 Cb 0.36 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 2hsh h PRO 34 CO 0.07 0.11 0.19 0.00 -0.21 0.00 0.00 178.00 178.16 2hsh h LYS 36 N 0.39 0.95 -0.23 0.00 1.57 -1.14 -2.44 116.57 115.66 2hsh h LYS 36 Ca 0.15 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2hsh h LYS 36 Cb 0.04 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 2hsh h LYS 36 CO -0.09 0.91 -0.10 0.52 -0.57 0.00 0.00 179.45 180.11 2hsh h MET 37 N 0.84 -0.06 -0.00 3.15 2.86 -0.86 -2.85 114.93 118.01 2hsh h MET 37 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2hsh h MET 37 Cb 0.42 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2hsh h MET 37 CO 0.01 -0.04 -0.16 1.51 1.06 0.00 0.00 176.91 179.29 2hsh n ILE 38 N -5.26 0.00 -0.27 -1.22 3.06 -0.73 -4.30 119.36 110.63 2hsh n ILE 38 Ca -0.01 -0.05 -0.05 0.00 -2.50 0.00 0.00 62.75 60.14 2hsh n ILE 38 Cb 0.18 -0.06 0.06 0.00 0.54 0.00 0.00 39.64 40.37 2hsh n ILE 38 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 2hsh h LYS 39 N 0.48 1.01 -0.82 9.51 3.64 -1.18 -0.83 116.57 128.38 2hsh h LYS 39 Ca 0.00 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 2hsh h LYS 39 Cb 0.41 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2hsh h LYS 39 CO 0.00 0.72 0.35 -1.35 -2.27 0.00 0.00 179.45 176.90 2hsh h PRO 40 N 1.02 1.21 -0.80 1.90 0.11 -1.77 -1.28 132.00 132.39 2hsh h PRO 40 Ca 0.27 -0.21 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 2hsh h PRO 40 Cb -0.03 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 30.84 2hsh h PRO 40 CO -0.05 0.96 0.38 0.35 -0.21 0.00 0.00 178.00 179.43 2hsh h PHE 41 N 1.19 1.13 -0.43 0.65 3.57 -1.69 0.36 116.94 121.71 2hsh h PHE 41 Ca 0.28 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2hsh h PHE 41 Cb 0.18 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2hsh h PHE 41 CO 0.02 0.82 0.22 0.35 -2.23 0.00 0.00 178.31 177.49 2hsh h PHE 42 N 1.13 0.62 -0.65 0.41 3.57 -0.69 -0.03 116.94 121.31 2hsh h PHE 42 Ca 0.27 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2hsh h PHE 42 Cb 0.11 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 2hsh h PHE 42 CO 0.01 0.50 0.37 0.45 -2.23 0.00 0.00 178.31 177.41 2hsh h HIS 43 N 0.56 0.69 -0.65 0.41 3.86 -0.96 -2.20 115.15 116.86 2hsh h HIS 43 Ca 0.15 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 2hsh h HIS 43 Cb 0.10 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.30 2hsh h HIS 43 CO -0.01 0.35 0.36 0.66 0.86 0.00 0.00 177.93 180.15 2hsh h SER 44 N 0.71 0.53 -0.77 2.45 4.64 0.03 -0.95 113.55 120.18 2hsh h SER 44 Ca 0.28 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 2hsh h SER 44 Cb 0.12 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 2hsh h SER 44 CO -0.15 0.34 0.46 -0.07 -0.87 0.00 0.00 176.83 176.54 2hsh h LEU 45 N 0.66 0.95 -1.51 5.97 3.38 -0.60 -1.07 115.31 123.09 2hsh h LEU 45 Ca 0.29 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.24 2hsh h LEU 45 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2hsh h LEU 45 CO -0.18 0.74 0.38 -1.28 0.09 0.00 0.00 178.44 178.18 2hsh h SER 46 N 1.08 0.55 0.79 -0.43 0.87 -0.58 0.36 113.55 116.20 2hsh h SER 46 Ca 0.28 -0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.59 2hsh h SER 46 Cb -0.02 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2hsh h SER 46 CO -0.05 0.37 -1.18 -0.33 -0.53 0.00 0.00 176.83 175.11 2hsh h GLU 47 N 0.63 0.11 -0.07 2.24 5.08 -1.00 -3.34 114.58 118.23 2hsh h GLU 47 Ca 0.23 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2hsh h GLU 47 Cb 0.13 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2hsh h GLU 47 CO -0.06 1.04 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.65 2hsh h LYS 48 N 0.03 0.21 -3.17 2.33 3.64 -0.86 -3.37 116.57 115.38 2hsh h LYS 48 Ca -0.09 -0.13 -0.79 0.00 -1.27 0.00 0.00 60.65 58.37 2hsh h LYS 48 Cb 1.88 0.01 -0.29 0.00 -0.41 0.00 0.00 32.23 33.41 2hsh h LYS 48 CO 0.15 0.70 0.51 0.66 -2.27 0.00 0.00 179.45 179.20 2hsh n TYR 49 N -4.64 3.70 0.29 1.91 4.01 0.09 -4.85 117.16 117.67 2hsh n TYR 49 Ca -0.08 -3.33 0.17 0.00 -0.16 0.00 0.00 57.90 54.50 2hsh n TYR 49 Cb 0.35 -1.39 0.67 0.00 -0.31 0.00 0.00 39.34 38.67 2hsh n TYR 49 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2hsh h SER 50 N 5.89 0.00 -0.44 7.72 4.64 -1.73 -2.30 113.55 127.33 2hsh h SER 50 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2hsh h SER 50 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2hsh h SER 50 CO 1.14 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.69 2hsh n ASN 51 N -3.04 2.50 -4.56 4.97 3.02 -1.26 -4.85 115.26 112.03 2hsh n ASN 51 Ca 0.01 -1.97 -0.31 0.00 -0.03 0.00 0.00 54.58 52.28 2hsh n ASN 51 Cb 0.30 -0.29 -0.11 0.00 -0.61 0.00 0.00 39.78 39.07 2hsh n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2hsh s VAL 52 N -1.42 3.39 -0.14 2.41 1.01 -0.87 -4.67 120.40 120.11 2hsh s VAL 52 Ca 0.32 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 2hsh s VAL 52 Cb 0.17 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 2hsh s VAL 52 CO 0.23 0.32 0.22 -0.63 0.00 0.00 0.00 175.10 175.24 2hsh s ILE 53 N -1.03 5.36 -0.13 2.22 -1.09 -0.25 -4.97 121.20 121.30 2hsh s ILE 53 Ca 0.17 0.39 0.03 0.00 -2.23 0.00 0.00 60.65 59.02 2hsh s ILE 53 Cb -0.11 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 2hsh s ILE 53 CO 0.08 0.48 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.70 2hsh s PHE 54 N -0.11 2.61 0.08 3.97 0.40 -1.26 -0.51 117.98 123.17 2hsh s PHE 54 Ca 0.14 -1.29 0.09 0.00 -0.60 0.00 0.00 56.93 55.27 2hsh s PHE 54 Cb -0.13 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 2hsh s PHE 54 CO 0.03 -0.58 -0.20 -0.51 0.70 0.00 0.00 175.22 174.66 2hsh s LEU 55 N 0.77 2.55 -0.15 -0.37 1.43 0.31 -0.62 118.68 122.59 2hsh s LEU 55 Ca -0.08 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 2hsh s LEU 55 Cb -0.16 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.61 2hsh s LEU 55 CO -0.01 0.21 -0.19 -0.70 0.23 0.00 0.00 176.35 175.90 2hsh s GLU 56 N -1.79 3.09 -0.19 1.70 2.56 -0.26 -0.94 118.70 122.88 2hsh s GLU 56 Ca 0.15 -0.81 0.01 0.00 0.00 0.00 0.00 54.97 54.32 2hsh s GLU 56 Cb -0.10 -2.53 0.04 0.00 2.00 0.00 0.00 34.13 33.54 2hsh s GLU 56 CO 0.07 -0.03 -0.10 0.08 -0.56 0.00 0.00 175.26 174.72 2hsh s VAL 57 N 0.88 1.54 -0.22 3.70 1.01 -0.09 -1.49 120.40 125.74 2hsh s VAL 57 Ca -0.05 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 2hsh s VAL 57 Cb -0.15 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 2hsh s VAL 57 CO -0.02 0.20 0.90 -0.62 0.00 0.00 0.00 175.10 175.55 2hsh s ASP 58 N 1.45 6.96 0.53 3.32 -1.08 -1.26 -1.60 116.67 124.99 2hsh s ASP 58 Ca -0.00 1.19 0.24 0.00 -0.52 0.00 0.00 52.55 53.46 2hsh s ASP 58 Cb -0.16 -2.48 1.45 0.00 -1.46 0.00 0.00 42.92 40.28 2hsh s ASP 58 CO -0.08 -0.54 2.12 -0.37 0.52 0.00 0.00 175.17 176.82 2hsh h VAL 59 N 5.38 0.72 -0.32 1.11 -1.51 -1.49 -1.55 116.25 118.59 2hsh h VAL 59 Ca -0.23 -0.33 -0.16 0.00 -1.23 0.00 0.00 66.70 64.74 2hsh h VAL 59 Cb 1.09 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2hsh h VAL 59 CO 0.90 0.08 -0.44 -0.78 -1.23 0.00 0.00 177.57 176.10 2hsh h ASP 60 N 0.00 0.93 -0.36 4.19 -0.00 -1.92 -3.03 116.42 116.23 2hsh h ASP 60 Ca -0.00 -0.50 -0.09 0.00 -0.00 0.00 0.00 57.03 56.43 2hsh h ASP 60 Cb 0.19 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 39.24 2hsh h ASP 60 CO 0.01 1.25 -0.11 0.44 -0.00 0.00 0.00 179.24 180.83 2hsh h ASP 61 N 0.64 0.79 -2.18 2.28 5.19 -1.71 -3.35 116.42 118.08 2hsh h ASP 61 Ca 0.03 -0.24 -0.58 0.00 -0.62 0.00 0.00 57.03 55.63 2hsh h ASP 61 Cb 1.04 -0.21 -0.41 0.00 0.18 0.00 0.00 39.33 39.92 2hsh h ASP 61 CO 0.10 0.92 -0.73 0.00 -3.12 0.00 0.00 179.24 176.42 2hsh h GLN 63 N 3.71 0.59 -0.48 0.00 4.20 -1.67 -1.06 115.11 120.41 2hsh h GLN 63 Ca 0.15 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2hsh h GLN 63 Cb 0.67 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2hsh h GLN 63 CO 0.75 0.69 0.02 0.38 -0.67 0.00 0.00 178.83 180.01 2hsh h ASP 64 N 0.55 0.81 -0.22 1.46 2.03 -1.91 -0.40 116.42 118.74 2hsh h ASP 64 Ca 0.10 -0.29 -0.01 0.00 -0.73 0.00 0.00 57.03 56.10 2hsh h ASP 64 Cb 0.51 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 2hsh h ASP 64 CO 0.03 0.90 0.09 0.58 -1.03 0.00 0.00 179.24 179.82 2hsh h VAL 65 N 0.69 1.16 -0.48 4.15 2.07 -1.84 -0.16 116.25 121.83 2hsh h VAL 65 Ca 0.14 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.26 2hsh h VAL 65 Cb 0.47 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2hsh h VAL 65 CO 0.02 0.15 0.18 0.00 0.02 0.00 0.00 177.57 177.94 2hsh h ALA 66 N 0.94 0.58 -0.16 1.67 0.00 -1.09 -0.26 119.26 120.95 2hsh h ALA 66 Ca 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2hsh h ALA 66 Cb 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2hsh h ALA 66 CO -0.01 -0.21 -0.01 1.03 0.00 0.00 0.00 179.25 180.05 2hsh h SER 67 N 0.36 0.29 0.45 0.00 0.87 -0.94 -2.00 113.55 112.57 2hsh h SER 67 Ca 0.23 -0.33 -0.07 0.00 -1.23 0.00 0.00 61.79 60.39 2hsh h SER 67 Cb 0.23 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2hsh h SER 67 CO -0.23 0.55 -0.32 -0.33 -0.53 0.00 0.00 176.83 175.98 2hsh h GLU 68 N 0.02 0.00 -0.01 2.24 5.08 -0.81 -1.28 114.58 119.81 2hsh h GLU 68 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2hsh h GLU 68 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2hsh h GLU 68 CO 0.01 0.32 -0.01 0.00 -1.00 0.00 0.00 179.01 178.33 2hsh n GLU 70 N -0.26 -6.33 -2.26 0.00 1.02 -0.48 -4.91 120.64 107.41 2hsh n GLU 70 Ca 0.20 0.75 -0.42 0.00 -0.02 0.00 0.00 57.16 57.67 2hsh n GLU 70 Cb 0.27 -5.63 -0.03 0.00 -0.02 0.00 0.00 31.44 26.03 2hsh n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2hsh s VAL 71 N -3.42 3.69 -0.03 2.62 1.01 -0.91 -4.89 120.40 118.47 2hsh s VAL 71 Ca 0.24 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2hsh s VAL 71 Cb -0.11 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 2hsh s VAL 71 CO 0.77 0.04 0.10 0.29 0.00 0.00 0.00 175.10 176.29 2hsh n LYS 72 N 4.73 5.65 -3.61 2.72 5.02 -1.26 -4.94 118.16 126.48 2hsh n LYS 72 Ca 0.12 -0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 2hsh n LYS 72 Cb 0.44 -0.60 -0.04 0.00 -0.02 0.00 0.00 35.03 34.81 2hsh n LYS 72 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2hsh s SER 73 N -0.89 -0.29 -0.16 4.39 0.15 -1.26 -5.13 113.70 110.51 2hsh s SER 73 Ca 0.00 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2hsh s SER 73 Cb 0.00 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 2hsh s SER 73 CO 0.02 -0.89 -0.11 -0.04 1.20 0.00 0.00 173.24 173.41 2hsh s MET 74 N -3.80 2.03 0.70 5.44 -1.94 -1.26 -2.80 119.30 117.67 2hsh s MET 74 Ca 0.03 -0.62 -0.11 0.00 -1.71 0.00 0.00 55.69 53.28 2hsh s MET 74 Cb 0.01 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.72 2hsh s MET 74 CO -0.11 -0.33 1.08 -1.25 -0.01 0.00 0.00 175.02 174.40 2hsh s PRO 75 N 1.50 2.87 -0.05 2.03 0.04 -1.26 -4.72 135.00 135.41 2hsh s PRO 75 Ca 0.02 0.64 0.05 0.00 0.04 0.00 0.00 61.00 61.76 2hsh s PRO 75 Cb -0.14 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2hsh s PRO 75 CO -0.09 -1.07 -0.22 0.99 0.04 0.00 0.00 177.00 176.66 2hsh s THR 76 N -3.23 1.78 -0.24 1.26 2.01 -0.89 -1.22 115.64 115.11 2hsh s THR 76 Ca 0.58 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 2hsh s THR 76 Cb -0.12 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 2hsh s THR 76 CO 0.53 0.50 0.05 -0.36 -0.69 0.00 0.00 174.62 174.65 2hsh s PHE 77 N -0.12 3.07 0.12 4.92 0.08 -0.18 -0.82 117.98 125.05 2hsh s PHE 77 Ca -0.03 -0.48 0.09 0.00 0.12 0.00 0.00 56.93 56.63 2hsh s PHE 77 Cb -0.12 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.08 2hsh s PHE 77 CO 0.03 -0.36 -0.17 -0.65 -0.10 0.00 0.00 175.22 173.96 2hsh s GLN 78 N 1.50 1.81 -0.07 0.44 -0.21 -0.70 -1.75 119.66 120.69 2hsh s GLN 78 Ca 0.06 -1.17 0.03 0.00 0.02 0.00 0.00 55.36 54.30 2hsh s GLN 78 Cb -0.15 -2.13 0.01 0.00 1.00 0.00 0.00 33.01 31.74 2hsh s GLN 78 CO 0.03 0.48 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.46 2hsh s PHE 79 N -1.15 1.78 0.06 0.91 0.40 -0.32 -0.34 117.98 119.31 2hsh s PHE 79 Ca 0.18 -0.64 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 2hsh s PHE 79 Cb -0.11 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 2hsh s PHE 79 CO 0.10 -0.28 -0.14 -0.06 0.70 0.00 0.00 175.22 175.55 2hsh s PHE 80 N 0.42 1.20 -0.03 0.36 0.40 0.18 -0.22 117.98 120.29 2hsh s PHE 80 Ca -0.13 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.80 2hsh s PHE 80 Cb -0.15 -0.69 0.02 0.00 0.51 0.00 0.00 43.02 42.71 2hsh s PHE 80 CO 0.05 0.04 -0.01 0.15 0.70 0.00 0.00 175.22 176.15 2hsh s LYS 81 N -1.45 0.42 -1.52 0.44 1.02 -0.30 -0.86 119.74 117.48 2hsh s LYS 81 Ca -0.01 0.02 -0.08 0.00 0.02 0.00 0.00 55.97 55.93 2hsh s LYS 81 Cb -0.09 -0.54 0.06 0.00 -0.52 0.00 0.00 37.83 36.74 2hsh s LYS 81 CO 0.02 -0.11 0.59 1.63 -0.92 0.00 0.00 175.35 176.56 2hsh n LYS 82 N 4.03 -3.45 -0.75 1.68 5.02 -1.26 -1.16 118.16 122.27 2hsh n LYS 82 Ca -0.26 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2hsh n LYS 82 Cb 0.51 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 2hsh n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hsh n GLY 83 N -1.76 1.25 3.64 0.72 0.00 -1.26 -5.00 105.19 102.77 2hsh n GLY 83 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2hsh n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hsh s GLN 84 N -0.09 2.87 -0.07 1.61 -1.52 -0.31 -5.07 119.66 117.08 2hsh s GLN 84 Ca 0.00 -0.48 -0.30 0.00 -1.95 0.00 0.00 55.36 52.64 2hsh s GLN 84 Cb 0.00 -2.70 -0.03 0.00 -0.22 0.00 0.00 33.01 30.06 2hsh s GLN 84 CO 0.00 0.68 1.25 0.21 -0.25 0.00 0.00 175.29 177.18 2hsh s LYS 85 N -0.88 4.31 0.00 2.91 2.20 -1.26 -1.15 119.74 125.87 2hsh s LYS 85 Ca 0.13 1.72 0.01 0.00 -0.36 0.00 0.00 55.97 57.47 2hsh s LYS 85 Cb -0.11 -3.62 0.01 0.00 -1.51 0.00 0.00 37.83 32.60 2hsh s LYS 85 CO 0.02 -0.53 0.49 1.33 -0.36 0.00 0.00 175.35 176.30 2hsh n VAL 86 N 4.81 0.00 -3.55 4.02 0.24 0.70 -4.96 118.33 119.59 2hsh n VAL 86 Ca 0.12 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.34 61.86 2hsh n VAL 86 Cb 0.45 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.83 2hsh n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2hsh s GLY 87 N -0.21 -0.37 -0.20 7.63 0.00 -1.14 -4.97 107.32 108.07 2hsh s GLY 87 Ca 0.01 1.37 -0.28 0.00 0.00 0.00 0.00 44.72 45.82 2hsh s GLY 87 CO 0.02 0.47 0.90 1.85 0.00 0.00 0.00 173.10 176.34 2hsh s GLU 88 N -2.67 0.69 0.23 2.90 2.12 -1.26 -1.18 118.70 119.54 2hsh s GLU 88 Ca 0.07 0.47 -0.18 0.00 0.36 0.00 0.00 54.97 55.69 2hsh s GLU 88 Cb -0.01 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.73 2hsh s GLU 88 CO -0.06 -0.15 0.57 -0.59 -0.54 0.00 0.00 175.26 174.49 2hsh s PHE 89 N -0.40 -0.05 0.13 5.30 -0.12 -0.72 -5.02 117.98 117.11 2hsh s PHE 89 Ca -0.01 -0.33 0.09 0.00 -0.05 0.00 0.00 56.93 56.63 2hsh s PHE 89 Cb -0.03 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 2hsh s PHE 89 CO 0.00 -1.03 -0.16 -1.12 -0.05 0.00 0.00 175.22 172.87 2hsh s SER 90 N -2.91 3.97 0.00 1.98 0.01 -1.26 -1.01 113.70 114.47 2hsh s SER 90 Ca 0.12 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2hsh s SER 90 Cb -0.02 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.62 2hsh s SER 90 CO 0.02 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2hsh n GLY 91 N 0.62 2.05 2.61 3.44 0.00 -0.36 -4.81 105.19 108.74 2hsh n GLY 91 Ca -0.14 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 2hsh n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hsh n ALA 92 N 1.74 6.24 -3.19 4.61 0.00 -1.26 -4.78 120.51 123.87 2hsh n ALA 92 Ca 0.00 -4.48 -0.45 0.00 0.00 0.00 0.00 53.44 48.51 2hsh n ALA 92 Cb 0.00 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 2hsh n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2hsh s ASN 93 N -0.90 6.16 0.09 0.00 3.84 -1.26 -4.92 114.94 117.94 2hsh s ASN 93 Ca 0.43 -1.66 -0.22 0.00 0.21 0.00 0.00 52.86 51.62 2hsh s ASN 93 Cb 0.18 -2.20 -0.12 0.00 -0.55 0.00 0.00 41.25 38.57 2hsh s ASN 93 CO -0.11 -0.79 1.68 0.11 -2.79 0.00 0.00 177.10 175.19 2hsh h LYS 94 N 8.84 0.14 -0.81 0.43 1.57 -1.99 -0.93 116.57 123.81 2hsh h LYS 94 Ca -0.29 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 2hsh h LYS 94 Cb 1.10 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2hsh h LYS 94 CO 0.99 0.18 0.41 1.49 -0.57 0.00 0.00 179.45 181.95 2hsh h GLU 95 N 0.06 1.16 -0.48 3.15 4.81 -2.00 -1.92 114.58 119.35 2hsh h GLU 95 Ca 0.03 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 2hsh h GLU 95 Cb 0.08 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2hsh h GLU 95 CO -0.01 0.88 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.76 2hsh h LYS 96 N 1.14 0.95 0.14 1.92 3.64 -1.94 -0.85 116.57 121.57 2hsh h LYS 96 Ca 0.28 -0.37 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2hsh h LYS 96 Cb 0.08 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2hsh h LYS 96 CO -0.04 1.04 -0.22 1.25 -2.27 0.00 0.00 179.45 179.21 2hsh h LEU 97 N 0.83 -0.60 -0.70 5.20 5.85 -0.82 -0.39 115.31 124.68 2hsh h LEU 97 Ca 0.12 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 2hsh h LEU 97 Cb 0.72 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2hsh h LEU 97 CO 0.06 -0.31 0.21 -0.08 -0.34 0.00 0.00 178.44 177.98 2hsh h GLU 98 N -0.42 1.10 -0.58 1.25 4.81 -1.24 -2.14 114.58 117.35 2hsh h GLU 98 Ca 0.02 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 2hsh h GLU 98 Cb 0.43 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2hsh h GLU 98 CO -0.10 0.95 0.19 0.00 -0.73 0.00 0.00 179.01 179.31 2hsh h ALA 99 N 1.10 1.23 -0.44 2.92 0.00 -0.96 -1.58 119.26 121.53 2hsh h ALA 99 Ca 0.23 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2hsh h ALA 99 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2hsh h ALA 99 CO -0.01 0.54 0.04 1.15 0.00 0.00 0.00 179.25 180.98 2hsh h THR 100 N 0.85 1.25 -0.39 0.00 2.02 -0.82 -0.79 112.91 115.03 2hsh h THR 100 Ca 0.19 -0.95 0.06 0.00 0.77 0.00 0.00 66.41 66.48 2hsh h THR 100 Cb 0.24 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 2hsh h THR 100 CO -0.01 0.33 0.08 0.40 0.37 0.00 0.00 175.52 176.69 2hsh h ILE 101 N 0.59 0.80 0.00 3.11 2.04 -1.05 -1.62 117.51 121.39 2hsh h ILE 101 Ca 0.13 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 2hsh h ILE 101 Cb 0.42 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2hsh h ILE 101 CO 0.01 0.04 -0.24 0.78 0.00 0.00 0.00 178.15 178.75 2hsh h ASN 102 N 0.21 0.00 0.14 1.72 2.35 -0.99 0.10 115.58 119.10 2hsh h ASN 102 Ca 0.19 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.79 2hsh h ASN 102 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2hsh h ASN 102 CO -0.24 0.24 -0.53 -0.08 -1.65 0.00 0.00 177.43 175.16 2hsh h GLU 103 N 0.00 0.43 0.00 0.81 4.22 -0.43 -3.34 114.58 116.27 2hsh h GLU 103 Ca -0.00 -0.27 0.00 0.00 0.08 0.00 0.00 59.36 59.17 2hsh h GLU 103 Cb 0.48 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2hsh h GLU 103 CO 0.03 0.86 -1.84 1.28 -2.18 0.00 0.00 179.01 177.16 2hsh n LEU 104 N -3.95 0.10 0.00 1.64 4.77 -0.68 -5.10 117.00 113.78 2hsh n LEU 104 Ca -0.03 -0.05 0.01 0.00 -0.03 0.00 0.00 56.01 55.92 2hsh n LEU 104 Cb 0.58 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.75 2hsh n LEU 104 CO 0.45 0.02 0.31 0.55 -1.33 0.00 0.00 177.39 177.40