#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khq s ILE 2 N 0.00 0.34 0.52 2.02 2.07 -1.26 -5.08 121.20 119.81 2khq s ILE 2 Ca 0.00 -1.77 -0.18 0.00 -1.41 0.00 0.00 60.65 57.29 2khq s ILE 2 Cb 0.00 -1.47 -0.07 0.00 0.13 0.00 0.00 42.46 41.05 2khq s ILE 2 CO 0.00 -0.93 1.01 0.42 -1.91 0.00 0.00 174.94 173.53 2khq s THR 3 N -3.65 4.15 0.14 4.00 -4.23 -1.26 -0.75 115.64 114.05 2khq s THR 3 Ca 0.06 1.14 -0.15 0.00 -1.18 0.00 0.00 61.69 61.57 2khq s THR 3 Cb 0.06 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.36 2khq s THR 3 CO -0.08 -0.48 1.67 0.15 -0.54 0.00 0.00 174.62 175.34 2khq h PHE 4 N 1.08 0.71 -0.06 3.99 3.57 -0.62 -0.92 116.94 124.70 2khq h PHE 4 Ca -0.48 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 60.96 2khq h PHE 4 Cb 1.20 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 2khq h PHE 4 CO 0.61 0.63 0.04 0.00 -2.23 0.00 0.00 178.31 177.36 2khq h ALA 5 N 1.00 0.07 -0.38 2.41 0.00 -1.82 0.21 119.26 120.75 2khq h ALA 5 Ca 0.15 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2khq h ALA 5 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2khq h ALA 5 CO -0.01 -0.43 -0.36 0.22 0.00 0.00 0.00 179.25 178.67 2khq h ASP 6 N 0.08 0.95 -0.64 0.00 3.58 -1.91 -2.66 116.42 115.81 2khq h ASP 6 Ca 0.02 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 2khq h ASP 6 Cb -0.01 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 2khq h ASP 6 CO -0.01 1.20 0.28 0.22 -2.88 0.00 0.00 179.24 178.06 2khq h TYR 7 N 0.74 0.95 -0.57 0.28 3.20 -1.01 0.61 116.97 121.16 2khq h TYR 7 Ca 0.07 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.91 2khq h TYR 7 Cb 0.94 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 2khq h TYR 7 CO 0.06 0.73 0.34 0.35 -1.64 0.00 0.00 178.16 178.00 2khq h PHE 8 N 0.89 0.63 -0.26 -3.82 3.57 -0.77 0.45 116.94 117.62 2khq h PHE 8 Ca 0.22 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 2khq h PHE 8 Cb 0.16 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 2khq h PHE 8 CO 0.01 0.34 -0.30 -0.92 -2.23 0.00 0.00 178.31 175.22 2khq h TYR 9 N 0.66 0.81 -0.47 0.41 3.20 -1.23 -1.62 116.97 118.73 2khq h TYR 9 Ca 0.24 -0.25 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2khq h TYR 9 Cb 0.06 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 2khq h TYR 9 CO -0.07 0.99 0.30 0.37 -1.64 0.00 0.00 178.16 178.11 2khq h GLN 10 N 0.39 0.60 -0.05 1.82 4.15 -0.43 0.16 115.11 121.75 2khq h GLN 10 Ca 0.04 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.45 2khq h GLN 10 Cb 0.87 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 2khq h GLN 10 CO 0.07 0.39 -0.11 2.35 -1.93 0.00 0.00 178.83 179.61 2khq h TRP 11 N 0.61 -0.27 0.08 3.99 7.01 -0.06 -2.36 115.95 124.94 2khq h TRP 11 Ca 0.18 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 2khq h TRP 11 Cb -0.04 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 2khq h TRP 11 CO -0.05 -0.17 -0.04 -0.92 -2.79 0.00 0.00 178.44 174.48 2khq h TYR 12 N -0.16 -0.09 -0.85 2.65 3.20 -0.91 0.42 116.97 121.21 2khq h TYR 12 Ca 0.06 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.11 2khq h TYR 12 Cb 0.24 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 2khq h TYR 12 CO -0.19 -0.04 0.57 1.49 -1.64 0.00 0.00 178.16 178.35 2khq h GLU 13 N -0.12 0.40 0.03 1.82 4.57 -0.51 -1.05 114.58 119.71 2khq h GLU 13 Ca -0.01 -0.02 -0.33 0.00 -1.18 0.00 0.00 59.36 57.82 2khq h GLU 13 Cb 0.10 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 2khq h GLU 13 CO 0.02 0.26 -1.93 0.28 -1.18 0.00 0.00 179.01 176.46 2khq n VAL 14 N -4.50 1.61 -0.11 0.32 0.31 -0.90 -4.47 118.33 110.59 2khq n VAL 14 Ca 0.18 -0.76 -0.20 0.00 -0.01 0.00 0.00 64.34 63.55 2khq n VAL 14 Cb 0.64 -1.15 -0.07 0.00 -0.91 0.00 0.00 33.84 32.35 2khq n VAL 14 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2khq n ASN 15 N -3.13 1.94 -0.00 4.52 2.85 0.12 -4.69 115.26 116.87 2khq n ASN 15 Ca -0.25 0.36 0.08 0.00 -0.11 0.00 0.00 54.58 54.66 2khq n ASN 15 Cb 1.06 -0.80 -0.10 0.00 1.24 0.00 0.00 39.78 41.18 2khq n ASN 15 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2khq n LYS 16 N -4.36 1.49 -0.03 1.20 4.76 -0.49 -4.67 118.16 116.06 2khq n LYS 16 Ca -0.35 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 54.95 2khq n LYS 16 Cb 0.70 -1.28 -0.05 0.00 -1.84 0.00 0.00 35.03 32.55 2khq n LYS 16 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2khq h LEU 17 N 0.00 -1.28 -0.68 -0.35 5.85 -1.61 -1.40 115.31 115.84 2khq h LEU 17 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2khq h LEU 17 Cb 0.44 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2khq h LEU 17 CO 0.00 -0.40 0.00 -0.81 -0.34 0.00 0.00 178.44 176.89 2khq n PRO 18 N -5.43 1.35 0.00 5.25 -0.04 -1.26 -3.61 135.00 131.26 2khq n PRO 18 Ca -0.03 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 2khq n PRO 18 Cb 0.35 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2khq n PRO 18 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2khq n HIS 19 N -0.10 0.00 -3.85 0.54 8.25 -0.60 -5.06 115.22 114.40 2khq n HIS 19 Ca 0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.27 2khq n HIS 19 Cb 0.18 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 2khq n HIS 19 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2khq s VAL 20 N -1.96 5.24 0.76 1.59 -7.23 -0.76 -5.11 120.40 112.93 2khq s VAL 20 Ca 0.00 -0.78 -0.07 0.00 -1.81 0.00 0.00 61.98 59.32 2khq s VAL 20 Cb 0.00 -3.82 0.10 0.00 0.56 0.00 0.00 36.38 33.22 2khq s VAL 20 CO 0.00 -0.30 1.07 -0.94 -0.31 0.00 0.00 175.10 174.62 2khq s SER 21 N -3.75 4.37 0.30 4.85 1.04 -1.26 -4.86 113.70 114.39 2khq s SER 21 Ca 0.35 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.00 2khq s SER 21 Cb -0.10 -0.69 0.48 0.00 0.10 0.00 0.00 66.02 65.81 2khq s SER 21 CO 0.30 -1.88 1.88 -0.33 0.98 0.00 0.00 173.24 174.19 2khq h GLU 22 N -0.77 0.81 -0.61 4.02 3.07 -1.98 0.13 114.58 119.24 2khq h GLU 22 Ca -0.42 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.28 2khq h GLU 22 Cb 1.29 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 29.03 2khq h GLU 22 CO 0.51 0.68 0.30 0.77 -1.40 0.00 0.00 179.01 179.86 2khq h SER 23 N 0.79 0.77 0.18 1.42 0.02 -2.00 -1.20 113.55 113.53 2khq h SER 23 Ca 0.19 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 2khq h SER 23 Cb 0.19 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2khq h SER 23 CO -0.01 0.65 -0.56 0.74 -1.14 0.00 0.00 176.83 176.51 2khq h THR 24 N 0.86 1.35 -0.48 -2.27 2.02 -1.49 -2.45 112.91 110.44 2khq h THR 24 Ca 0.21 -1.85 0.07 0.00 0.77 0.00 0.00 66.41 65.61 2khq h THR 24 Cb 0.08 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 2khq h THR 24 CO -0.03 0.56 0.17 0.11 0.37 0.00 0.00 175.52 176.70 2khq h LYS 25 N 0.31 0.33 -0.84 6.66 1.79 0.02 -0.69 116.57 124.14 2khq h LYS 25 Ca 0.00 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2khq h LYS 25 Cb 1.08 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.60 2khq h LYS 25 CO 0.10 0.22 0.54 0.00 -1.08 0.00 0.00 179.45 179.22 2khq h ARG 26 N 0.34 1.00 -0.26 3.15 2.47 -0.96 0.15 114.38 120.28 2khq h ARG 26 Ca 0.23 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 2khq h ARG 26 Cb 0.25 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2khq h ARG 26 CO -0.24 0.66 0.13 0.45 0.56 0.00 0.00 179.97 181.54 2khq h HIS 27 N 1.04 0.37 -0.46 3.04 3.86 -0.89 0.63 115.15 122.74 2khq h HIS 27 Ca 0.34 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.46 2khq h HIS 27 Cb 0.04 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2khq h HIS 27 CO -0.02 0.34 -0.01 1.88 0.86 0.00 0.00 177.93 180.98 2khq h TYR 28 N 0.30 0.81 0.18 2.45 0.05 -0.70 0.58 116.97 120.64 2khq h TYR 28 Ca 0.09 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.77 2khq h TYR 28 Cb 0.10 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 2khq h TYR 28 CO -0.02 0.76 -0.24 0.93 -1.05 0.00 0.00 178.16 178.53 2khq h GLU 29 N 0.71 -0.46 -0.39 4.88 5.08 -0.40 0.80 114.58 124.80 2khq h GLU 29 Ca 0.14 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 2khq h GLU 29 Cb 0.45 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 2khq h GLU 29 CO 0.02 -0.31 0.06 1.03 -1.00 0.00 0.00 179.01 178.81 2khq h SER 30 N -0.48 -0.03 0.35 1.42 0.87 -0.44 0.73 113.55 115.97 2khq h SER 30 Ca 0.01 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2khq h SER 30 Cb 0.47 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2khq h SER 30 CO -0.10 0.02 -0.32 0.00 -0.53 0.00 0.00 176.83 175.90 2khq h ALA 31 N 1.31 -0.70 -0.59 6.23 0.00 -0.71 -0.60 119.26 124.20 2khq h ALA 31 Ca 0.19 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2khq h ALA 31 Cb 0.24 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2khq h ALA 31 CO -0.27 -0.93 0.32 -0.92 0.00 0.00 0.00 179.25 177.46 2khq h TYR 32 N -0.69 0.59 -0.31 0.00 3.20 -0.37 0.24 116.97 119.63 2khq h TYR 32 Ca -0.02 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 2khq h TYR 32 Cb 0.62 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2khq h TYR 32 CO -0.18 0.29 -0.37 0.87 -1.64 0.00 0.00 178.16 177.14 2khq h LYS 33 N 0.61 0.72 -0.06 1.82 1.57 -0.73 0.60 116.57 121.10 2khq h LYS 33 Ca 0.26 -0.35 -0.19 0.00 -1.87 0.00 0.00 60.65 58.49 2khq h LYS 33 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2khq h LYS 33 CO -0.16 0.97 -0.77 0.45 -0.57 0.00 0.00 179.45 179.36 2khq h HIS 34 N 0.59 0.52 0.09 -1.35 3.86 -0.69 -2.26 115.15 115.93 2khq h HIS 34 Ca 0.06 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2khq h HIS 34 Cb 0.90 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.29 2khq h HIS 34 CO 0.04 1.01 -0.05 0.82 0.86 0.00 0.00 177.93 180.62 2khq h ILE 35 N 0.25 0.99 0.00 2.45 2.04 -0.28 -1.51 117.51 121.45 2khq h ILE 35 Ca -0.04 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 2khq h ILE 35 Cb 1.36 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2khq h ILE 35 CO 0.13 0.07 -0.14 0.07 0.00 0.00 0.00 178.15 178.28 2khq h LYS 36 N -0.26 0.00 -0.00 2.37 2.10 -0.88 0.81 116.57 120.71 2khq h LYS 36 Ca -0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2khq h LYS 36 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2khq h LYS 36 CO 0.02 0.14 -0.00 0.22 -2.00 0.00 0.00 179.45 177.83 2khq h ASP 37 N 0.00 0.01 0.56 7.07 3.58 -1.23 -3.15 116.42 123.25 2khq h ASP 37 Ca -0.00 -0.61 -0.21 0.00 0.42 0.00 0.00 57.03 56.62 2khq h ASP 37 Cb 0.34 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2khq h ASP 37 CO 0.02 0.62 -0.93 0.45 -2.88 0.00 0.00 179.24 176.51 2khq h HIS 38 N -0.61 0.37 -3.40 0.28 3.86 -0.82 -3.38 115.15 111.44 2khq h HIS 38 Ca -0.00 -0.21 -0.64 0.00 -1.16 0.00 0.00 60.37 58.36 2khq h HIS 38 Cb 0.62 -0.04 -0.41 0.00 1.06 0.00 0.00 27.41 28.65 2khq h HIS 38 CO 0.14 1.04 -0.66 -0.06 0.86 0.00 0.00 177.93 179.25 2khq s PHE 39 N -3.14 3.14 -0.05 2.45 0.08 0.28 -4.99 117.98 115.76 2khq s PHE 39 Ca -0.03 -3.03 -0.21 0.00 0.12 0.00 0.00 56.93 53.77 2khq s PHE 39 Cb 0.09 -2.72 -0.16 0.00 -0.57 0.00 0.00 43.02 39.66 2khq s PHE 39 CO 0.84 -0.79 0.89 0.00 -0.10 0.00 0.00 175.22 176.06 2khq h ARG 40 N 6.80 -0.19 0.00 0.44 2.47 -1.74 -3.36 114.38 118.79 2khq h ARG 40 Ca -0.07 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2khq h ARG 40 Cb 0.93 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.22 2khq h ARG 40 CO 0.63 0.25 -0.43 0.72 0.56 0.00 0.00 179.97 181.70 2khq n HIS 41 N -4.91 0.00 -2.03 3.04 8.25 -1.26 -4.93 115.22 113.37 2khq n HIS 41 Ca -0.08 -0.67 -0.42 0.00 -0.26 0.00 0.00 57.72 56.30 2khq n HIS 41 Cb 0.27 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 2khq n HIS 41 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2khq s LYS 42 N -1.49 4.25 0.74 -0.41 2.47 -1.26 -4.89 119.74 119.14 2khq s LYS 42 Ca 0.23 2.24 -0.11 0.00 -1.56 0.00 0.00 55.97 56.76 2khq s LYS 42 Cb 0.22 -3.25 0.04 0.00 -1.46 0.00 0.00 37.83 33.38 2khq s LYS 42 CO -0.03 -0.56 1.09 -0.51 0.16 0.00 0.00 175.35 175.50 2khq s LEU 43 N 1.33 3.12 0.37 5.43 1.43 -1.26 -0.07 118.68 129.04 2khq s LEU 43 Ca 0.68 1.81 0.06 0.00 -1.03 0.00 0.00 54.13 55.65 2khq s LEU 43 Cb -0.40 -4.52 0.76 0.00 0.03 0.00 0.00 46.19 42.05 2khq s LEU 43 CO 0.31 -1.84 1.99 0.25 0.23 0.00 0.00 176.35 177.28 2khq h LEU 44 N -0.83 0.62 -2.35 1.79 7.12 -1.13 -0.70 115.31 119.84 2khq h LEU 44 Ca -0.44 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.56 2khq h LEU 44 Cb 1.23 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 2khq h LEU 44 CO 0.53 0.42 0.00 2.29 -0.13 0.00 0.00 178.44 181.55 2khq n LYS 45 N -4.47 2.50 0.00 1.25 -0.00 -1.26 -4.10 118.16 112.09 2khq n LYS 45 Ca 0.08 -2.31 0.12 0.00 -0.00 0.00 0.00 58.31 56.20 2khq n LYS 45 Cb 0.17 -1.52 0.09 0.00 -0.00 0.00 0.00 35.03 33.76 2khq n LYS 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2khq n ASP 46 N 1.43 2.85 -4.63 -5.58 2.03 -0.27 -4.77 116.55 107.62 2khq n ASP 46 Ca 0.21 -1.93 -0.43 0.00 0.52 0.00 0.00 54.79 53.16 2khq n ASP 46 Cb 0.58 0.06 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 2khq n ASP 46 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2khq s ILE 47 N -2.03 4.09 0.74 5.18 -1.09 -1.23 -4.87 121.20 121.99 2khq s ILE 47 Ca 0.26 1.23 -0.06 0.00 -2.23 0.00 0.00 60.65 59.85 2khq s ILE 47 Cb 0.19 -4.09 0.10 0.00 -1.58 0.00 0.00 42.46 37.08 2khq s ILE 47 CO 0.33 -0.44 1.05 -0.54 -1.23 0.00 0.00 174.94 174.11 2khq s LYS 48 N 4.21 1.81 -0.00 2.79 1.02 -1.26 -4.19 119.74 124.11 2khq s LYS 48 Ca 0.58 -0.54 -0.25 0.00 0.02 0.00 0.00 55.97 55.79 2khq s LYS 48 Cb -0.18 -2.18 -0.19 0.00 -0.52 0.00 0.00 37.83 34.77 2khq s LYS 48 CO 0.24 -1.47 1.31 0.00 -0.92 0.00 0.00 175.35 174.51 2khq h ARG 49 N -0.72 0.08 -0.07 1.68 -0.00 -1.91 -2.13 114.38 111.31 2khq h ARG 49 Ca -0.42 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.98 58.89 2khq h ARG 49 Cb 1.29 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.24 2khq h ARG 49 CO 0.51 0.51 -0.54 1.79 0.00 0.00 0.00 179.97 182.24 2khq h THR 50 N -0.36 1.37 -0.21 2.04 1.35 -1.92 -0.63 112.91 114.55 2khq h THR 50 Ca 0.01 -1.84 -0.01 0.00 -0.55 0.00 0.00 66.41 64.01 2khq h THR 50 Cb 0.49 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 2khq h THR 50 CO 0.01 0.54 0.07 -0.33 -0.25 0.00 0.00 175.52 175.56 2khq h GLU 51 N 0.16 0.32 -0.54 4.72 5.08 -1.96 0.17 114.58 122.53 2khq h GLU 51 Ca 0.00 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2khq h GLU 51 Cb 1.01 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2khq h GLU 51 CO 0.08 0.40 0.34 -0.92 -1.00 0.00 0.00 179.01 177.91 2khq h TYR 52 N 0.17 0.64 -0.56 4.33 3.20 -1.17 0.10 116.97 123.68 2khq h TYR 52 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2khq h TYR 52 Cb 0.21 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2khq h TYR 52 CO -0.00 0.39 0.28 0.37 -1.64 0.00 0.00 178.16 177.55 2khq h GLN 53 N 0.69 0.81 -0.74 1.82 5.75 -0.93 -1.36 115.11 121.15 2khq h GLN 53 Ca 0.21 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 2khq h GLN 53 Cb -0.03 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 2khq h GLN 53 CO -0.07 0.65 0.26 0.87 -2.65 0.00 0.00 178.83 177.89 2khq h LYS 54 N 0.76 1.13 -0.34 1.69 6.56 -0.15 0.11 116.57 126.34 2khq h LYS 54 Ca 0.19 -0.22 0.01 0.00 -1.06 0.00 0.00 60.65 59.57 2khq h LYS 54 Cb 0.10 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.57 2khq h LYS 54 CO -0.03 0.94 0.19 0.35 -2.06 0.00 0.00 179.45 178.85 2khq h PHE 55 N 1.09 0.36 -0.46 -1.35 3.57 -0.44 -0.29 116.94 119.42 2khq h PHE 55 Ca 0.24 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2khq h PHE 55 Cb 0.27 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2khq h PHE 55 CO 0.02 0.21 0.13 -0.07 -2.23 0.00 0.00 178.31 176.38 2khq h LEU 56 N 0.40 0.69 -0.41 0.59 3.38 -0.89 -1.11 115.31 117.97 2khq h LEU 56 Ca 0.13 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2khq h LEU 56 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2khq h LEU 56 CO -0.06 0.72 0.26 0.78 0.09 0.00 0.00 178.44 180.23 2khq h ASN 57 N 0.62 0.44 1.02 -0.43 4.21 -0.67 0.13 115.58 120.90 2khq h ASN 57 Ca 0.15 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.60 2khq h ASN 57 Cb 0.29 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 2khq h ASN 57 CO -0.00 0.32 -0.26 -0.33 -1.29 0.00 0.00 177.43 175.87 2khq h GLU 58 N 0.53 0.00 0.08 0.81 5.08 -0.96 -2.94 114.58 117.18 2khq h GLU 58 Ca 0.15 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.23 2khq h GLU 58 Cb -0.04 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.23 2khq h GLU 58 CO -0.04 0.26 -1.17 -0.92 -1.00 0.00 0.00 179.01 176.14 2khq h TYR 59 N 0.00 0.95 0.00 4.33 3.20 -0.55 -3.22 116.97 121.68 2khq h TYR 59 Ca -0.00 -0.57 0.00 0.00 3.14 0.00 0.00 58.73 61.30 2khq h TYR 59 Cb 0.83 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2khq h TYR 59 CO 0.00 1.41 0.00 0.41 -1.64 0.00 0.00 178.16 178.34 2khq n GLY 60 N 1.27 -0.94 0.12 1.82 0.00 0.40 -2.42 105.19 105.44 2khq n GLY 60 Ca -0.12 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.89 2khq n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2khq h LEU 61 N 0.00 0.00 -1.66 0.99 3.38 -1.53 -0.47 115.31 116.02 2khq h LEU 61 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2khq h LEU 61 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2khq h LEU 61 CO 0.00 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.91 2khq n THR 62 N -2.55 0.39 -4.06 0.22 -2.24 -1.06 -4.56 114.28 100.43 2khq n THR 62 Ca 0.03 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 2khq n THR 62 Cb 0.50 0.93 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 2khq n THR 62 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2khq s HIS 63 N -0.39 0.58 0.90 4.78 3.76 -1.02 -5.11 115.29 118.79 2khq s HIS 63 Ca 0.00 -0.59 -0.12 0.00 -0.15 0.00 0.00 55.06 54.20 2khq s HIS 63 Cb 0.00 -0.36 0.13 0.00 1.11 0.00 0.00 32.58 33.46 2khq s HIS 63 CO 0.00 -0.14 1.11 -1.12 -0.85 0.00 0.00 174.74 173.75 2khq s SER 64 N -1.80 3.54 0.14 1.40 0.01 -1.26 -4.66 113.70 111.07 2khq s SER 64 Ca -0.08 1.13 -0.15 0.00 1.31 0.00 0.00 55.95 58.16 2khq s SER 64 Cb -0.07 -1.77 0.01 0.00 0.21 0.00 0.00 66.02 64.39 2khq s SER 64 CO -0.01 -2.55 1.67 0.22 0.41 0.00 0.00 173.24 172.98 2khq h TYR 65 N -1.49 0.68 -0.17 2.43 3.20 -1.94 -2.36 116.97 117.32 2khq h TYR 65 Ca -0.50 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.23 2khq h TYR 65 Cb 1.31 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 2khq h TYR 65 CO 0.34 0.61 -0.19 0.93 -1.64 0.00 0.00 178.16 178.21 2khq h GLU 66 N 0.56 0.30 -0.43 1.82 5.08 -1.99 -1.09 114.58 118.83 2khq h GLU 66 Ca 0.14 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2khq h GLU 66 Cb 0.24 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2khq h GLU 66 CO -0.01 0.49 0.01 1.15 -1.00 0.00 0.00 179.01 179.65 2khq h THR 67 N 0.28 1.26 -0.11 1.13 2.02 -1.82 -1.26 112.91 114.40 2khq h THR 67 Ca 0.05 -1.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.09 2khq h THR 67 Cb 0.51 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2khq h THR 67 CO 0.03 0.35 -0.46 -0.29 0.37 0.00 0.00 175.52 175.52 2khq h ILE 68 N 0.60 1.33 -0.23 3.11 2.10 -1.20 -2.42 117.51 120.79 2khq h ILE 68 Ca 0.12 -1.64 0.03 0.00 1.08 0.00 0.00 64.86 64.45 2khq h ILE 68 Cb 0.48 1.75 -0.03 0.00 -1.09 0.00 0.00 36.82 37.93 2khq h ILE 68 CO 0.02 0.49 0.04 0.03 -1.08 0.00 0.00 178.15 177.65 2khq h ARG 69 N 0.22 0.12 -0.37 2.19 3.08 -0.84 -0.72 114.38 118.07 2khq h ARG 69 Ca 0.01 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2khq h ARG 69 Cb 0.90 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 2khq h ARG 69 CO 0.07 0.08 0.05 0.87 -1.07 0.00 0.00 179.97 179.97 2khq h LYS 70 N 0.12 0.16 0.06 0.04 6.56 -1.03 -0.94 116.57 121.55 2khq h LYS 70 Ca 0.10 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.71 2khq h LYS 70 Cb 0.11 -0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 31.68 2khq h LYS 70 CO -0.14 0.11 -0.37 1.25 -2.06 0.00 0.00 179.45 178.23 2khq h LEU 71 N 0.17 -1.10 -1.12 2.94 5.85 -0.97 -1.56 115.31 119.51 2khq h LEU 71 Ca 0.18 0.13 0.06 0.00 0.84 0.00 0.00 57.88 59.09 2khq h LEU 71 Cb 0.22 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 2khq h LEU 71 CO -0.26 -0.44 0.60 -1.13 -0.34 0.00 0.00 178.44 176.88 2khq h ASN 72 N -0.56 0.94 -0.80 1.25 -1.24 -0.91 -1.87 115.58 112.39 2khq h ASN 72 Ca 0.04 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 2khq h ASN 72 Cb 0.62 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.43 2khq h ASN 72 CO -0.26 0.61 0.48 0.28 -1.29 0.00 0.00 177.43 177.25 2khq h SER 73 N 1.07 0.96 -0.06 1.15 0.02 -0.48 -0.94 113.55 115.26 2khq h SER 73 Ca 0.39 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2khq h SER 73 Cb 0.16 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2khq h SER 73 CO -0.14 0.74 -0.02 1.88 -1.14 0.00 0.00 176.83 178.15 2khq h TYR 74 N 1.09 0.14 -0.32 3.45 0.05 -0.52 -2.09 116.97 118.77 2khq h TYR 74 Ca 0.29 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.01 2khq h TYR 74 Cb -0.04 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2khq h TYR 74 CO -0.01 0.47 0.12 0.82 -1.05 0.00 0.00 178.16 178.51 2khq h ILE 75 N -0.23 1.19 -0.52 -2.88 2.04 -1.30 0.90 117.51 116.70 2khq h ILE 75 Ca 0.01 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 2khq h ILE 75 Cb 0.43 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2khq h ILE 75 CO 0.01 0.20 0.21 -0.09 0.00 0.00 0.00 178.15 178.48 2khq h ARG 76 N 0.36 0.75 -0.17 2.37 2.43 -1.22 -1.06 114.38 117.84 2khq h ARG 76 Ca 0.10 -0.11 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 2khq h ARG 76 Cb 0.20 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2khq h ARG 76 CO -0.01 0.61 -0.67 -0.97 -1.51 0.00 0.00 179.97 177.43 2khq h ASN 77 N 0.74 0.78 -0.24 -3.80 -0.00 -0.93 -0.54 115.58 111.59 2khq h ASN 77 Ca 0.18 -0.47 0.00 0.00 -0.00 0.00 0.00 56.30 56.01 2khq h ASN 77 Cb 0.14 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.22 2khq h ASN 77 CO -0.02 1.24 0.15 0.00 -0.00 0.00 0.00 177.43 178.80 2khq h ALA 78 N 0.76 0.31 -0.08 1.57 0.00 -0.30 -1.64 119.26 119.88 2khq h ALA 78 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2khq h ALA 78 Cb 1.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2khq h ALA 78 CO 0.13 -0.20 -0.19 0.74 0.00 0.00 0.00 179.25 179.74 2khq h PHE 79 N 0.31 0.13 -0.35 0.00 0.04 -1.18 -2.73 116.94 113.17 2khq h PHE 79 Ca 0.09 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2khq h PHE 79 Cb -0.00 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 2khq h PHE 79 CO -0.05 0.31 0.17 0.22 -0.60 0.00 0.00 178.31 178.36 2khq h ASP 80 N 0.12 0.45 -0.94 2.17 3.58 -0.20 0.54 116.42 122.14 2khq h ASP 80 Ca 0.02 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.37 2khq h ASP 80 Cb 0.40 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 2khq h ASP 80 CO 0.03 0.44 0.62 0.44 -2.88 0.00 0.00 179.24 177.89 2khq h ASP 81 N 0.43 1.07 0.08 2.28 3.32 -1.19 -1.11 116.42 121.30 2khq h ASP 81 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2khq h ASP 81 Cb 0.11 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2khq h ASP 81 CO -0.02 0.76 -0.04 0.00 -1.72 0.00 0.00 179.24 178.23 2khq h ALA 82 N 1.36 -0.11 -0.15 3.45 0.00 -1.10 -3.27 119.26 119.45 2khq h ALA 82 Ca 0.35 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2khq h ALA 82 Cb -0.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2khq h ALA 82 CO -0.09 -0.38 -0.25 0.97 0.00 0.00 0.00 179.25 179.50 2khq h ILE 83 N -0.47 1.24 0.00 0.00 2.10 0.19 0.17 117.51 120.74 2khq h ILE 83 Ca -0.01 -1.12 0.00 0.00 1.08 0.00 0.00 64.86 64.80 2khq h ILE 83 Cb 0.40 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 2khq h ILE 83 CO 0.02 0.34 0.00 1.41 -1.08 0.00 0.00 178.15 178.84 2khq n HIS 84 N -4.16 0.69 -0.04 2.19 8.25 -0.43 -2.65 115.22 119.07 2khq n HIS 84 Ca -0.01 0.31 -0.05 0.00 -0.26 0.00 0.00 57.72 57.71 2khq n HIS 84 Cb 0.36 -0.99 -0.05 0.00 1.12 0.00 0.00 29.99 30.43 2khq n HIS 84 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2khq n GLU 85 N -2.16 1.81 0.00 -0.41 2.13 -0.83 -5.02 120.64 116.16 2khq n GLU 85 Ca 0.01 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2khq n GLU 85 Cb 0.14 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.66 2khq n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2khq n GLY 86 N 2.72 1.65 0.15 8.31 0.00 0.13 -5.01 105.19 113.14 2khq n GLY 86 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 2khq n GLY 86 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2khq h TYR 87 N 0.00 0.05 -2.73 1.61 3.20 -1.07 -3.44 116.97 114.59 2khq h TYR 87 Ca 0.00 -0.02 -0.61 0.00 3.14 0.00 0.00 58.73 61.24 2khq h TYR 87 Cb 0.00 -0.01 -0.13 0.00 1.54 0.00 0.00 36.73 38.13 2khq h TYR 87 CO 0.00 0.59 -0.71 0.54 -1.64 0.00 0.00 178.16 176.93 2khq s VAL 88 N -3.78 3.12 -0.08 1.81 0.11 -1.25 -4.94 120.40 115.39 2khq s VAL 88 Ca -0.02 -1.83 -0.01 0.00 -2.93 0.00 0.00 61.98 57.19 2khq s VAL 88 Cb 0.13 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.39 2khq s VAL 88 CO 0.76 -0.21 0.05 0.40 -3.33 0.00 0.00 175.10 172.77 2khq h ILE 89 N 2.52 0.00 -3.13 7.04 1.08 -1.87 -3.45 117.51 119.70 2khq h ILE 89 Ca -0.45 -0.80 -0.19 0.00 -0.39 0.00 0.00 64.86 63.03 2khq h ILE 89 Cb 1.22 0.00 -0.28 0.00 -3.07 0.00 0.00 36.82 34.69 2khq h ILE 89 CO 0.56 0.00 -0.48 -0.75 -0.69 0.00 0.00 178.15 176.79 2khq s LYS 90 N -1.59 0.22 0.30 2.37 2.20 -1.26 -5.12 119.74 116.87 2khq s LYS 90 Ca -0.01 0.41 -0.28 0.00 -0.36 0.00 0.00 55.97 55.74 2khq s LYS 90 Cb 0.00 -0.01 -0.09 0.00 -1.51 0.00 0.00 37.83 36.22 2khq s LYS 90 CO 0.02 -0.10 1.05 -0.80 -0.36 0.00 0.00 175.35 175.15 2khq s ASN 91 N 0.71 7.22 0.00 1.43 -0.87 -1.26 -4.91 114.94 117.26 2khq s ASN 91 Ca -0.05 2.12 0.20 0.00 -1.57 0.00 0.00 52.86 53.56 2khq s ASN 91 Cb -0.06 -2.61 0.85 0.00 -0.02 0.00 0.00 41.25 39.41 2khq s ASN 91 CO -0.04 -0.16 1.59 -0.81 -2.57 0.00 0.00 177.10 175.11 2khq n PRO 92 N 0.89 1.49 0.00 -0.60 -0.04 -1.26 -4.28 135.00 131.21 2khq n PRO 92 Ca 0.00 -0.74 0.02 0.00 -0.04 0.00 0.00 63.50 62.74 2khq n PRO 92 Cb 0.47 -1.36 0.10 0.00 -0.04 0.00 0.00 33.50 32.67 2khq n PRO 92 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2khq n THR 93 N -0.03 0.00 0.31 0.52 -2.24 -1.26 -3.49 114.28 108.08 2khq n THR 93 Ca 0.15 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.77 2khq n THR 93 Cb 0.24 -0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.22 2khq n THR 93 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2khq h TYR 94 N 0.00 -0.70 -2.39 4.78 3.20 -1.93 -3.25 116.97 116.68 2khq h TYR 94 Ca 0.00 -0.02 -0.76 0.00 3.14 0.00 0.00 58.73 61.09 2khq h TYR 94 Cb 0.00 0.23 -0.20 0.00 1.54 0.00 0.00 36.73 38.30 2khq h TYR 94 CO 0.00 -0.40 1.24 1.63 -1.64 0.00 0.00 178.16 178.99 2khq n LYS 95 N -5.39 3.57 -1.22 1.82 5.02 -1.23 -4.75 118.16 115.99 2khq n LYS 95 Ca -0.12 -3.99 -0.21 0.00 -2.02 0.00 0.00 58.31 51.97 2khq n LYS 95 Cb 0.32 -2.86 0.14 0.00 -0.02 0.00 0.00 35.03 32.62 2khq n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2khq n ALA 96 N 4.22 5.34 -2.06 7.82 0.00 -1.23 -3.66 120.51 130.94 2khq n ALA 96 Ca 0.34 -3.22 -0.43 0.00 0.00 0.00 0.00 53.44 50.13 2khq n ALA 96 Cb 0.40 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 2khq n ALA 96 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2khq s GLU 97 N -3.45 3.74 -0.84 0.00 2.02 -1.26 -4.92 118.70 113.99 2khq s GLU 97 Ca 0.54 1.71 -0.25 0.00 0.02 0.00 0.00 54.97 56.99 2khq s GLU 97 Cb 0.46 -4.07 0.03 0.00 0.10 0.00 0.00 34.13 30.65 2khq s GLU 97 CO 0.04 -1.37 1.38 -0.51 0.02 0.00 0.00 175.26 174.82 2khq s LEU 98 N 5.46 3.29 -0.78 1.80 1.43 -1.26 -4.75 118.68 123.86 2khq s LEU 98 Ca 0.74 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 2khq s LEU 98 Cb -0.26 -2.56 0.21 0.00 0.03 0.00 0.00 46.19 43.60 2khq s LEU 98 CO 0.30 -1.76 0.71 -1.00 0.23 0.00 0.00 176.35 174.84 2khq s HIS 99 N 5.68 3.69 -0.81 0.29 3.76 -1.26 -4.99 115.29 121.65 2khq s HIS 99 Ca 0.41 -2.04 -0.18 0.00 -0.15 0.00 0.00 55.06 53.10 2khq s HIS 99 Cb -0.05 -3.74 0.13 0.00 1.11 0.00 0.00 32.58 30.03 2khq s HIS 99 CO 0.06 -0.97 0.95 0.00 -0.85 0.00 0.00 174.74 173.92 2khq s ALA 100 N 0.22 3.48 -2.02 -1.40 0.00 -1.26 -4.20 121.76 116.58 2khq s ALA 100 Ca 0.17 -2.66 0.08 0.00 0.00 0.00 0.00 51.96 49.56 2khq s ALA 100 Cb -0.13 -3.82 0.29 0.00 0.00 0.00 0.00 23.12 19.46 2khq s ALA 100 CO -0.07 -2.69 1.22 0.45 0.00 0.00 0.00 175.76 174.66 2khq n SER 101 N 6.15 1.10 -0.22 0.00 2.88 -0.20 -3.43 113.62 119.89 2khq n SER 101 Ca 0.12 -1.94 -0.04 0.00 -1.33 0.00 0.00 58.87 55.67 2khq n SER 101 Cb 0.47 -0.13 0.13 0.00 -0.75 0.00 0.00 64.21 63.93 2khq n SER 101 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2khq h VAL 102 N 1.23 1.24 -1.78 2.46 2.07 -1.76 -3.36 116.25 116.35 2khq h VAL 102 Ca 0.00 -0.80 -0.57 0.00 0.82 0.00 0.00 66.70 66.14 2khq h VAL 102 Cb 0.28 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 2khq h VAL 102 CO 0.00 0.32 1.25 -0.76 0.02 0.00 0.00 177.57 178.40 2khq s LEU 103 N -9.56 3.39 -0.08 2.57 1.43 -1.22 -4.83 118.68 110.37 2khq s LEU 103 Ca -0.11 -0.97 -0.21 0.00 -1.03 0.00 0.00 54.13 51.81 2khq s LEU 103 Cb 0.16 -2.56 -0.17 0.00 0.03 0.00 0.00 46.19 43.65 2khq s LEU 103 CO 0.82 -1.66 0.74 -0.08 0.23 0.00 0.00 176.35 176.41 2khq h GLU 104 N 9.89 -0.10 -5.37 1.70 4.22 -1.90 -3.47 114.58 119.54 2khq h GLU 104 Ca -0.05 0.01 -0.42 0.00 0.08 0.00 0.00 59.36 58.98 2khq h GLU 104 Cb 1.03 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.16 2khq h GLU 104 CO 1.34 0.45 -0.70 -3.38 -2.18 0.00 0.00 179.01 174.54 2khq s HIS 105 N -2.84 1.65 0.09 0.92 -3.43 -1.26 -5.15 115.29 105.26 2khq s HIS 105 Ca -0.13 -0.70 0.02 0.00 -0.80 0.00 0.00 55.06 53.45 2khq s HIS 105 Cb -0.01 -0.85 -0.04 0.00 -1.43 0.00 0.00 32.58 30.25 2khq s HIS 105 CO 0.49 0.22 0.18 -1.01 -2.00 0.00 0.00 174.74 172.61 2khq s HIS 106 N -3.13 3.38 -0.27 0.38 3.76 -1.26 -5.05 115.29 113.10 2khq s HIS 106 Ca 0.24 0.15 -0.29 0.00 -0.15 0.00 0.00 55.06 55.01 2khq s HIS 106 Cb 0.02 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 2khq s HIS 106 CO 0.07 0.55 1.62 -1.01 -0.85 0.00 0.00 174.74 175.12 2khq s HIS 107 N -1.55 2.10 0.25 1.40 3.76 -1.26 -4.87 115.29 115.12 2khq s HIS 107 Ca 0.33 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 55.84 2khq s HIS 107 Cb -0.12 -4.06 0.30 0.00 1.11 0.00 0.00 32.58 29.82 2khq s HIS 107 CO 0.26 -2.76 1.65 0.45 -0.85 0.00 0.00 174.74 173.49 2khq h HIS 108 N 11.16 0.61 -2.24 1.40 3.86 -2.08 -3.45 115.15 124.41 2khq h HIS 108 Ca -0.33 -0.15 0.04 0.00 -1.16 0.00 0.00 60.37 58.77 2khq h HIS 108 Cb 1.15 -0.14 -0.17 0.00 1.06 0.00 0.00 27.41 29.31 2khq h HIS 108 CO 0.93 0.79 0.38 -3.38 0.86 0.00 0.00 177.93 177.51 2khq s HIS 109 N -4.37 -0.46 -2.40 2.45 -3.43 -1.26 -5.36 115.29 100.45 2khq s HIS 109 Ca -0.07 0.51 0.29 0.00 -0.80 0.00 0.00 55.06 54.98 2khq s HIS 109 Cb 0.13 0.50 1.22 0.00 -1.43 0.00 0.00 32.58 33.00 2khq s HIS 109 CO 0.81 -0.59 1.84 -2.39 -2.00 0.00 0.00 174.74 172.41