#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 3.76 0.46 1.12 2.07 -1.26 -5.03 121.20 122.32 2khq s ILE 2 Ca 0.00 -1.28 -0.21 0.00 -1.41 0.00 0.00 60.65 57.76 2khq s ILE 2 Cb 0.00 -3.27 -0.09 0.00 0.13 0.00 0.00 42.46 39.23 2khq s ILE 2 CO 0.00 -0.18 1.01 0.42 -1.91 0.00 0.00 174.94 174.28 2khq s THR 3 N -2.26 3.97 0.20 4.00 -4.23 -1.26 -2.26 115.64 113.80 2khq s THR 3 Ca 0.41 1.25 -0.07 0.00 -1.18 0.00 0.00 61.69 62.11 2khq s THR 3 Cb -0.07 -3.52 0.07 0.00 1.34 0.00 0.00 72.50 70.32 2khq s THR 3 CO 0.28 -0.24 1.66 0.15 -0.54 0.00 0.00 174.62 175.93 2khq h PHE 4 N 1.77 1.05 -0.10 3.99 3.57 -0.70 -0.88 116.94 125.63 2khq h PHE 4 Ca -0.49 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 60.81 2khq h PHE 4 Cb 1.21 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 2khq h PHE 4 CO 0.58 0.97 0.05 0.00 -2.23 0.00 0.00 178.31 177.68 2khq h ALA 5 N 1.06 0.13 -0.43 2.41 0.00 -1.85 0.78 119.26 121.36 2khq h ALA 5 Ca 0.15 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2khq h ALA 5 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2khq h ALA 5 CO 0.04 -0.32 -0.29 0.22 0.00 0.00 0.00 179.25 178.90 2khq h ASP 6 N 0.05 1.00 -0.37 0.00 3.58 -1.90 -1.93 116.42 116.84 2khq h ASP 6 Ca 0.03 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2khq h ASP 6 Cb 0.10 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 2khq h ASP 6 CO -0.00 1.22 0.25 0.22 -2.88 0.00 0.00 179.24 178.04 2khq h TYR 7 N 0.80 0.47 -0.53 0.28 3.20 -1.05 -0.75 116.97 119.39 2khq h TYR 7 Ca 0.09 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2khq h TYR 7 Cb 0.88 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 2khq h TYR 7 CO 0.06 0.29 0.33 0.35 -1.64 0.00 0.00 178.16 177.55 2khq h PHE 8 N 0.50 0.68 -0.30 -3.82 3.57 -0.66 0.19 116.94 117.11 2khq h PHE 8 Ca 0.14 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2khq h PHE 8 Cb -0.05 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 2khq h PHE 8 CO -0.05 0.46 0.01 -0.92 -2.23 0.00 0.00 178.31 175.58 2khq h TYR 9 N 0.71 0.56 -0.44 0.41 3.20 -1.13 -1.07 116.97 119.20 2khq h TYR 9 Ca 0.19 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.00 2khq h TYR 9 Cb -0.04 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 2khq h TYR 9 CO -0.03 0.64 0.23 0.37 -1.64 0.00 0.00 178.16 177.73 2khq h GLN 10 N 0.32 0.45 -0.42 1.82 4.15 -0.93 0.13 115.11 120.62 2khq h GLN 10 Ca 0.09 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.54 2khq h GLN 10 Cb 0.41 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 2khq h GLN 10 CO 0.01 0.30 0.10 2.35 -1.93 0.00 0.00 178.83 179.66 2khq h TRP 11 N 0.47 0.17 0.03 3.99 7.01 -0.75 -2.13 115.95 124.73 2khq h TRP 11 Ca 0.19 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 2khq h TRP 11 Cb 0.07 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 2khq h TRP 11 CO -0.09 0.04 -0.01 -0.92 -2.79 0.00 0.00 178.44 174.66 2khq h TYR 12 N 0.24 -0.03 0.00 2.65 3.20 -0.71 -2.66 116.97 119.66 2khq h TYR 12 Ca 0.20 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 2khq h TYR 12 Cb 0.23 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 2khq h TYR 12 CO -0.19 0.24 -0.11 1.49 -1.64 0.00 0.00 178.16 177.95 2khq h GLU 13 N -0.30 0.00 0.00 1.82 4.81 -0.51 0.58 114.58 120.98 2khq h GLU 13 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2khq h GLU 13 Cb 0.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2khq h GLU 13 CO 0.01 0.11 -1.64 0.28 -0.73 0.00 0.00 179.01 177.04 2khq n VAL 14 N -3.64 0.69 -0.04 0.32 0.31 -0.82 -4.15 118.33 110.99 2khq n VAL 14 Ca -0.02 -0.62 -0.05 0.00 -0.01 0.00 0.00 64.34 63.65 2khq n VAL 14 Cb 0.23 -0.36 -0.06 0.00 -0.91 0.00 0.00 33.84 32.74 2khq n VAL 14 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2khq n ASN 15 N -2.61 2.98 -0.00 4.52 3.02 -0.88 -4.73 115.26 117.56 2khq n ASN 15 Ca -0.09 -0.01 0.04 0.00 -0.03 0.00 0.00 54.58 54.49 2khq n ASN 15 Cb 0.73 0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 40.43 2khq n ASN 15 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2khq n LYS 16 N -2.38 1.66 0.06 3.52 4.01 0.14 -4.81 118.16 120.37 2khq n LYS 16 Ca -0.14 -0.04 -0.15 0.00 -0.51 0.00 0.00 58.31 57.46 2khq n LYS 16 Cb 0.76 -1.06 -0.09 0.00 -0.51 0.00 0.00 35.03 34.13 2khq n LYS 16 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2khq h LEU 17 N 0.00 -1.52 -1.38 -0.35 5.85 -1.68 -0.58 115.31 115.64 2khq h LEU 17 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2khq h LEU 17 Cb 0.28 0.58 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2khq h LEU 17 CO 0.00 -0.51 0.00 -0.81 -0.34 0.00 0.00 178.44 176.78 2khq n PRO 18 N -5.46 1.91 0.01 5.25 -0.04 -1.26 -4.16 135.00 131.25 2khq n PRO 18 Ca -0.07 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2khq n PRO 18 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.18 -0.05 -2.61 0.54 8.25 -0.76 -5.08 115.22 115.69 2khq n HIS 19 Ca 0.08 0.01 -0.33 0.00 -0.26 0.00 0.00 57.72 57.22 2khq n HIS 19 Cb 0.39 0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 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 -2.00 4.39 0.97 1.59 -7.23 -0.30 -5.05 120.40 112.77 2khq s VAL 20 Ca 0.00 1.34 -0.13 0.00 -1.81 0.00 0.00 61.98 61.38 2khq s VAL 20 Cb 0.00 -3.63 0.17 0.00 0.56 0.00 0.00 36.38 33.48 2khq s VAL 20 CO 0.00 -0.47 1.14 -0.44 -0.31 0.00 0.00 175.10 175.02 2khq s SER 21 N -2.54 2.98 0.50 4.85 0.01 -1.26 -4.78 113.70 113.46 2khq s SER 21 Ca 0.61 0.93 0.25 0.00 1.31 0.00 0.00 55.95 59.06 2khq s SER 21 Cb -0.10 -1.46 1.35 0.00 0.21 0.00 0.00 66.02 66.02 2khq s SER 21 CO 0.21 -2.88 2.04 -0.33 0.41 0.00 0.00 173.24 172.69 2khq h GLU 22 N -1.72 0.00 -0.62 12.44 3.07 -1.98 -0.30 114.58 125.47 2khq h GLU 22 Ca -0.51 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.33 2khq h GLU 22 Cb 1.32 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.21 2khq h GLU 22 CO 0.57 0.14 0.28 0.66 -1.40 0.00 0.00 179.01 179.26 2khq h SER 23 N 0.00 0.82 0.52 1.42 4.64 -2.00 -1.78 113.55 117.17 2khq h SER 23 Ca -0.00 -0.14 -0.15 0.00 -0.47 0.00 0.00 61.79 61.02 2khq h SER 23 Cb 0.37 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2khq h SER 23 CO 0.02 0.74 -0.68 0.74 -0.87 0.00 0.00 176.83 176.77 2khq h THR 24 N 0.85 1.44 -0.57 2.95 2.02 -1.51 -2.81 112.91 115.29 2khq h THR 24 Ca 0.21 -2.23 0.06 0.00 0.77 0.00 0.00 66.41 65.22 2khq h THR 24 Cb 0.15 2.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.69 2khq h THR 24 CO -0.02 0.65 0.29 0.11 0.37 0.00 0.00 175.52 176.91 2khq h LYS 25 N 0.09 0.53 -0.69 6.66 1.79 -0.82 -1.88 116.57 122.26 2khq h LYS 25 Ca -0.01 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.48 2khq h LYS 25 Cb 1.22 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 2khq h LYS 25 CO 0.10 0.35 0.40 -0.09 -1.08 0.00 0.00 179.45 179.13 2khq h ARG 26 N 0.54 0.73 0.19 3.15 9.65 -1.09 -0.26 114.38 127.30 2khq h ARG 26 Ca 0.26 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 2khq h ARG 26 Cb 0.19 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2khq h ARG 26 CO -0.19 0.48 -0.18 0.45 2.80 0.00 0.00 179.97 183.33 2khq h HIS 27 N 0.75 -0.48 -0.66 2.20 3.86 -1.16 0.32 115.15 119.99 2khq h HIS 27 Ca 0.30 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.45 2khq h HIS 27 Cb 0.15 0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 2khq h HIS 27 CO -0.07 -0.28 0.19 1.88 0.86 0.00 0.00 177.93 180.51 2khq h TYR 28 N -0.40 1.08 -0.67 2.45 0.05 -1.05 0.48 116.97 118.89 2khq h TYR 28 Ca -0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 2khq h TYR 28 Cb 0.38 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 2khq h TYR 28 CO -0.14 0.88 0.38 0.93 -1.05 0.00 0.00 178.16 179.16 2khq h GLU 29 N 0.96 0.93 -0.67 4.88 5.08 -0.92 0.18 114.58 125.02 2khq h GLU 29 Ca 0.21 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2khq h GLU 29 Cb 0.32 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2khq h GLU 29 CO -0.00 0.69 0.24 0.77 -1.00 0.00 0.00 179.01 179.71 2khq h SER 30 N 0.92 0.94 0.16 1.42 0.02 -0.42 -0.06 113.55 116.52 2khq h SER 30 Ca 0.24 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2khq h SER 30 Cb 0.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2khq h SER 30 CO -0.04 0.88 -0.08 0.00 -1.14 0.00 0.00 176.83 176.45 2khq h ALA 31 N 1.10 -0.22 -0.73 3.77 0.00 -0.57 -2.39 119.26 120.23 2khq h ALA 31 Ca 0.22 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2khq h ALA 31 Cb 0.25 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2khq h ALA 31 CO -0.01 -0.58 0.44 -0.92 0.00 0.00 0.00 179.25 178.17 2khq h TYR 32 N -0.30 0.81 -0.08 0.00 3.20 -0.43 -0.20 116.97 119.97 2khq h TYR 32 Ca -0.02 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 2khq h TYR 32 Cb 0.23 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2khq h TYR 32 CO -0.04 0.42 -0.54 1.57 -1.64 0.00 0.00 178.16 177.93 2khq h LYS 33 N 0.82 0.22 -0.04 1.82 2.10 -0.95 0.19 116.57 120.73 2khq h LYS 33 Ca 0.31 -0.14 -0.21 0.00 -2.00 0.00 0.00 60.65 58.61 2khq h LYS 33 Cb 0.12 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2khq h LYS 33 CO -0.15 0.71 -0.86 0.45 -2.00 0.00 0.00 179.45 177.60 2khq h HIS 34 N 0.17 0.65 0.08 0.07 3.86 -1.02 -0.71 115.15 118.26 2khq h HIS 34 Ca 0.00 -0.33 -0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2khq h HIS 34 Cb 1.01 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.40 2khq h HIS 34 CO 0.02 1.13 -0.04 0.82 0.86 0.00 0.00 177.93 180.72 2khq h ILE 35 N 0.28 1.00 0.00 2.45 2.04 -0.80 -1.31 117.51 121.17 2khq h ILE 35 Ca -0.06 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 2khq h ILE 35 Cb 1.48 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2khq h ILE 35 CO 0.15 0.07 -0.15 0.50 0.00 0.00 0.00 178.15 178.72 2khq h LYS 36 N -0.23 0.00 -0.26 2.37 3.64 -0.99 0.51 116.57 121.61 2khq h LYS 36 Ca -0.01 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2khq h LYS 36 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2khq h LYS 36 CO 0.02 0.15 -0.14 0.22 -2.27 0.00 0.00 179.45 177.42 2khq h ASP 37 N 0.00 0.58 0.00 4.20 3.58 -0.72 -3.34 116.42 120.72 2khq h ASP 37 Ca -0.00 -0.42 -0.08 0.00 0.42 0.00 0.00 57.03 56.95 2khq h ASP 37 Cb 0.30 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2khq h ASP 37 CO 0.02 0.87 -0.61 0.45 -2.88 0.00 0.00 179.24 177.09 2khq h HIS 38 N 0.29 0.00 -1.09 0.28 3.86 -0.88 -3.41 115.15 114.21 2khq h HIS 38 Ca 0.06 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.53 2khq h HIS 38 Cb 0.66 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.01 2khq h HIS 38 CO 0.06 0.68 2.44 1.19 0.86 0.00 0.00 177.93 183.16 2khq n PHE 39 N -4.58 2.72 -2.07 2.45 3.72 0.17 -4.94 117.46 114.94 2khq n PHE 39 Ca -0.15 -2.84 -0.43 0.00 -0.05 0.00 0.00 57.45 53.98 2khq n PHE 39 Cb 0.40 -1.96 -0.03 0.00 -0.94 0.00 0.00 39.48 36.96 2khq n PHE 39 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2khq s ARG 40 N -0.18 3.53 -1.52 -1.08 0.52 -1.25 -2.48 118.95 116.50 2khq s ARG 40 Ca 0.50 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 57.19 2khq s ARG 40 Cb 0.15 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.50 2khq s ARG 40 CO -0.06 -1.61 0.00 0.72 0.02 0.00 0.00 175.30 174.37 2khq n HIS 41 N 9.44 -0.39 -3.30 -0.53 8.25 -1.26 -4.97 115.22 122.46 2khq n HIS 41 Ca 0.21 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.29 2khq n HIS 41 Cb 0.46 -3.03 -0.06 0.00 1.12 0.00 0.00 29.99 28.48 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 -4.09 4.29 0.62 -0.41 2.47 -1.03 -4.99 119.74 116.59 2khq s LYS 42 Ca 0.00 0.53 -0.14 0.00 -1.56 0.00 0.00 55.97 54.79 2khq s LYS 42 Cb 0.00 -3.39 -0.03 0.00 -1.46 0.00 0.00 37.83 32.95 2khq s LYS 42 CO 0.00 0.26 1.05 -0.51 0.16 0.00 0.00 175.35 176.31 2khq s LEU 43 N 0.26 3.40 0.36 5.43 1.43 -1.26 -0.10 118.68 128.20 2khq s LEU 43 Ca 0.27 1.74 0.08 0.00 -1.03 0.00 0.00 54.13 55.19 2khq s LEU 43 Cb -0.16 -4.52 0.70 0.00 0.03 0.00 0.00 46.19 42.24 2khq s LEU 43 CO 0.12 -1.20 1.89 0.17 0.23 0.00 0.00 176.35 177.56 2khq h LEU 44 N 0.14 0.30 -1.04 1.79 -0.00 -1.69 -0.36 115.31 114.45 2khq h LEU 44 Ca -0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 2khq h LEU 44 Cb 1.21 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2khq h LEU 44 CO 0.58 0.46 -0.12 2.29 -0.00 0.00 0.00 178.44 181.64 2khq n LYS 45 N -4.26 1.53 0.00 0.17 2.85 -1.26 -3.62 118.16 113.58 2khq n LYS 45 Ca -0.00 -1.04 0.12 0.00 -1.05 0.00 0.00 58.31 56.34 2khq n LYS 45 Cb 0.28 -1.48 0.25 0.00 -0.65 0.00 0.00 35.03 33.43 2khq n LYS 45 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2khq n ASP 46 N 0.18 1.05 -4.55 -5.58 2.03 -0.19 -4.78 116.55 104.70 2khq n ASP 46 Ca 0.15 -0.84 -0.36 0.00 0.52 0.00 0.00 54.79 54.26 2khq n ASP 46 Cb 0.42 0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 41.07 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 -2.65 3.28 0.35 5.18 -1.09 -0.92 -4.81 121.20 120.54 2khq s ILE 47 Ca 0.19 0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.43 2khq s ILE 47 Cb 0.18 -3.73 -0.11 0.00 -1.58 0.00 0.00 42.46 37.22 2khq s ILE 47 CO 0.60 -0.71 1.52 1.17 -1.23 0.00 0.00 174.94 176.29 2khq n LYS 48 N 9.11 2.68 -0.26 2.79 4.81 -1.26 -4.65 118.16 131.38 2khq n LYS 48 Ca 0.26 0.95 -0.05 0.00 -0.87 0.00 0.00 58.31 58.60 2khq n LYS 48 Cb 0.52 -2.69 0.06 0.00 0.02 0.00 0.00 35.03 32.94 2khq n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2khq h ARG 49 N 3.48 0.96 0.00 1.64 -0.00 -1.92 0.20 114.38 118.74 2khq h ARG 49 Ca -0.50 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.98 58.83 2khq h ARG 49 Cb 1.24 -0.21 -0.01 0.00 0.00 0.00 0.00 29.97 30.98 2khq h ARG 49 CO 0.68 0.65 -0.42 1.15 0.00 0.00 0.00 179.97 182.03 2khq h THR 50 N 0.98 1.09 -0.27 2.04 2.02 -1.90 -1.44 112.91 115.42 2khq h THR 50 Ca 0.26 -1.56 -0.16 0.00 0.77 0.00 0.00 66.41 65.72 2khq h THR 50 Cb -0.09 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2khq h THR 50 CO -0.05 0.41 -0.49 -0.08 0.37 0.00 0.00 175.52 175.68 2khq h GLU 51 N 0.00 0.74 -0.50 6.66 4.57 -1.55 -1.68 114.58 122.82 2khq h GLU 51 Ca -0.00 -0.44 -0.07 0.00 -1.18 0.00 0.00 59.36 57.67 2khq h GLU 51 Cb 0.86 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2khq h GLU 51 CO 0.05 1.06 0.01 -0.92 -1.18 0.00 0.00 179.01 178.04 2khq h TYR 52 N 0.59 0.88 0.28 0.92 3.20 -0.32 -0.14 116.97 122.37 2khq h TYR 52 Ca 0.03 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2khq h TYR 52 Cb 1.05 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 2khq h TYR 52 CO 0.06 0.80 -0.39 0.37 -1.64 0.00 0.00 178.16 177.35 2khq h GLN 53 N 0.77 -0.70 -1.00 1.82 5.75 -1.07 -0.87 115.11 119.80 2khq h GLN 53 Ca 0.15 0.05 0.19 0.00 -0.15 0.00 0.00 58.65 58.89 2khq h GLN 53 Cb 0.45 0.16 -0.10 0.00 1.07 0.00 0.00 27.48 29.05 2khq h GLN 53 CO 0.02 -0.47 0.61 0.87 -2.65 0.00 0.00 178.83 177.21 2khq h LYS 54 N -0.73 0.74 0.14 1.69 1.57 -0.95 0.63 116.57 119.67 2khq h LYS 54 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2khq h LYS 54 Cb 0.69 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2khq h LYS 54 CO -0.13 0.49 -0.07 0.35 -0.57 0.00 0.00 179.45 179.52 2khq h PHE 55 N 0.77 -0.18 -0.51 -1.35 3.57 -0.52 -1.38 116.94 117.33 2khq h PHE 55 Ca 0.57 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.98 2khq h PHE 55 Cb 0.89 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2khq h PHE 55 CO -0.00 -0.07 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.90 2khq h LEU 56 N -0.24 0.87 -0.05 0.59 3.38 -0.17 -1.97 115.31 117.70 2khq h LEU 56 Ca -0.02 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2khq h LEU 56 Cb 0.19 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2khq h LEU 56 CO 0.03 0.95 -0.23 -1.13 0.09 0.00 0.00 178.44 178.16 2khq h ASN 57 N 0.82 -0.69 -0.61 -0.43 -0.73 0.48 0.46 115.58 114.88 2khq h ASN 57 Ca 0.15 0.10 -0.09 0.00 1.87 0.00 0.00 56.30 58.33 2khq h ASN 57 Cb 0.54 0.29 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 2khq h ASN 57 CO 0.03 -0.29 0.03 -0.08 -0.37 0.00 0.00 177.43 176.75 2khq h GLU 58 N -0.33 1.06 -0.55 6.67 4.81 -1.21 -2.37 114.58 122.67 2khq h GLU 58 Ca 0.08 -0.32 -0.10 0.00 -0.13 0.00 0.00 59.36 58.89 2khq h GLU 58 Cb 0.44 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2khq h GLU 58 CO -0.25 1.02 -0.05 -0.92 -0.73 0.00 0.00 179.01 178.09 2khq h TYR 59 N 0.96 1.07 0.00 0.92 5.03 -0.77 -2.31 116.97 121.87 2khq h TYR 59 Ca 0.18 -0.19 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2khq h TYR 59 Cb 0.52 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.53 2khq h TYR 59 CO 0.04 0.97 0.00 0.78 -1.32 0.00 0.00 178.16 178.63 2khq h GLY 60 N 0.98 0.00 1.54 1.82 0.00 0.01 -0.93 103.07 106.49 2khq h GLY 60 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2khq h GLY 60 CO 0.03 0.00 -0.31 1.04 0.00 0.00 0.00 176.54 177.31 2khq n LEU 61 N -2.39 0.58 0.00 3.11 4.77 -0.89 -3.29 117.00 118.88 2khq n LEU 61 Ca 0.04 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2khq n LEU 61 Cb 0.37 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2khq n LEU 61 CO 0.27 -0.06 0.22 0.35 -1.33 0.00 0.00 177.39 176.85 2khq n THR 62 N -1.96 0.00 -4.13 -5.08 -2.24 -0.98 -4.75 114.28 95.14 2khq n THR 62 Ca 0.05 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2khq n THR 62 Cb 0.40 1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.04 0.87 0.82 4.78 3.76 -0.39 -5.08 115.29 120.01 2khq s HIS 63 Ca 0.00 -1.16 -0.11 0.00 -0.15 0.00 0.00 55.06 53.64 2khq s HIS 63 Cb 0.00 -0.35 0.11 0.00 1.11 0.00 0.00 32.58 33.45 2khq s HIS 63 CO 0.00 -0.70 1.16 -1.54 -0.85 0.00 0.00 174.74 172.82 2khq s SER 64 N -3.09 4.18 0.12 1.40 1.04 -1.26 -4.67 113.70 111.41 2khq s SER 64 Ca 0.31 0.47 -0.19 0.00 0.48 0.00 0.00 55.95 57.01 2khq s SER 64 Cb 0.05 -0.87 -0.06 0.00 0.10 0.00 0.00 66.02 65.24 2khq s SER 64 CO 0.08 -2.06 1.73 0.22 0.98 0.00 0.00 173.24 174.19 2khq h TYR 65 N -1.06 0.31 -0.39 5.02 3.20 -1.91 -2.47 116.97 119.67 2khq h TYR 65 Ca -0.44 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 2khq h TYR 65 Cb 1.29 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 2khq h TYR 65 CO -0.13 0.26 0.26 0.93 -1.64 0.00 0.00 178.16 177.83 2khq h GLU 66 N 0.28 0.51 -0.09 1.82 4.39 -1.95 0.29 114.58 119.83 2khq h GLU 66 Ca 0.08 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2khq h GLU 66 Cb 0.04 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2khq h GLU 66 CO -0.01 0.34 -0.01 1.15 -1.16 0.00 0.00 179.01 179.32 2khq h THR 67 N 0.53 1.27 -0.08 1.13 2.02 -1.83 0.17 112.91 116.11 2khq h THR 67 Ca 0.14 -0.87 -0.16 0.00 0.77 0.00 0.00 66.41 66.29 2khq h THR 67 Cb -0.06 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2khq h THR 67 CO -0.03 0.25 -0.66 -0.29 0.37 0.00 0.00 175.52 175.16 2khq h ILE 68 N -0.13 1.38 0.03 3.11 2.10 -1.14 -1.39 117.51 121.48 2khq h ILE 68 Ca 0.03 -2.05 -0.00 0.00 1.08 0.00 0.00 64.86 63.92 2khq h ILE 68 Cb 0.39 2.03 0.00 0.00 -1.09 0.00 0.00 36.82 38.15 2khq h ILE 68 CO 0.01 0.61 -0.02 -0.09 -1.08 0.00 0.00 178.15 177.58 2khq h ARG 69 N 0.24 -0.05 -0.30 2.19 2.43 -0.33 0.95 114.38 119.52 2khq h ARG 69 Ca -0.01 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2khq h ARG 69 Cb 1.20 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 2khq h ARG 69 CO 0.11 0.02 0.14 0.87 -1.51 0.00 0.00 179.97 179.59 2khq h LYS 70 N -0.10 0.28 -0.03 0.20 6.56 -0.61 0.48 116.57 123.36 2khq h LYS 70 Ca -0.00 -0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.60 2khq h LYS 70 Cb 0.08 -0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 31.63 2khq h LYS 70 CO 0.01 0.19 -0.29 1.25 -2.06 0.00 0.00 179.45 178.54 2khq h LEU 71 N 0.29 -0.88 -1.42 2.94 5.85 -1.05 -1.51 115.31 119.53 2khq h LEU 71 Ca 0.13 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2khq h LEU 71 Cb 0.06 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2khq h LEU 71 CO -0.10 -0.35 0.05 -1.13 -0.34 0.00 0.00 178.44 176.56 2khq h ASN 72 N -0.42 0.39 -0.19 1.25 -0.73 -0.60 -2.13 115.58 113.15 2khq h ASN 72 Ca 0.07 -0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 2khq h ASN 72 Cb 0.52 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 2khq h ASN 72 CO -0.27 0.42 0.11 -1.28 -0.37 0.00 0.00 177.43 176.05 2khq h SER 73 N 0.42 0.24 -0.62 1.15 0.87 -0.23 -0.19 113.55 115.20 2khq h SER 73 Ca 0.10 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2khq h SER 73 Cb 0.20 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 2khq h SER 73 CO -0.00 0.23 0.33 1.88 -0.53 0.00 0.00 176.83 178.74 2khq h TYR 74 N 0.22 0.86 -0.65 2.24 0.05 -0.82 -1.50 116.97 117.37 2khq h TYR 74 Ca 0.07 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 2khq h TYR 74 Cb 0.04 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 2khq h TYR 74 CO -0.04 0.62 0.28 0.82 -1.05 0.00 0.00 178.16 178.79 2khq h ILE 75 N 0.84 1.23 -0.17 -2.88 2.04 -1.19 0.51 117.51 117.89 2khq h ILE 75 Ca 0.22 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.38 2khq h ILE 75 Cb 0.06 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2khq h ILE 75 CO -0.03 0.28 0.09 0.03 0.00 0.00 0.00 178.15 178.52 2khq h ARG 76 N 0.91 0.19 -0.36 2.37 3.08 -0.69 -2.27 114.38 117.62 2khq h ARG 76 Ca 0.22 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 2khq h ARG 76 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2khq h ARG 76 CO -0.02 0.13 -0.16 -0.97 -1.07 0.00 0.00 179.97 177.87 2khq h ASN 77 N 0.20 0.65 -0.76 7.04 -0.00 -0.91 0.13 115.58 121.93 2khq h ASN 77 Ca 0.07 -0.20 -0.01 0.00 -0.00 0.00 0.00 56.30 56.16 2khq h ASN 77 Cb 0.00 -0.17 -0.04 0.00 -0.00 0.00 0.00 38.32 38.11 2khq h ASN 77 CO -0.04 0.82 0.44 0.00 -0.00 0.00 0.00 177.43 178.66 2khq h ALA 78 N 1.24 0.97 -0.00 1.57 0.00 -0.75 -2.01 119.26 120.28 2khq h ALA 78 Ca 0.10 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2khq h ALA 78 Cb 0.61 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2khq h ALA 78 CO 0.04 0.46 -0.71 0.74 0.00 0.00 0.00 179.25 179.78 2khq h PHE 79 N 1.05 0.04 -0.65 0.00 0.04 -0.84 -2.44 116.94 114.14 2khq h PHE 79 Ca 0.27 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.09 2khq h PHE 79 Cb -0.01 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 2khq h PHE 79 CO -0.00 0.73 0.35 -0.44 -0.60 0.00 0.00 178.31 178.34 2khq h ASP 80 N 0.02 0.50 -0.02 2.17 3.32 -0.16 0.49 116.42 122.74 2khq h ASP 80 Ca -0.01 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 2khq h ASP 80 Cb 1.25 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2khq h ASP 80 CO 0.09 0.32 -0.36 0.44 -1.72 0.00 0.00 179.24 178.01 2khq h ASP 81 N 0.64 0.54 -0.28 6.45 3.32 -1.25 -2.03 116.42 123.81 2khq h ASP 81 Ca 0.30 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2khq h ASP 81 Cb 0.21 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2khq h ASP 81 CO -0.20 0.85 -0.14 0.00 -1.72 0.00 0.00 179.24 178.04 2khq h ALA 82 N 1.18 0.39 0.00 3.45 0.00 -0.86 -3.11 119.26 120.30 2khq h ALA 82 Ca 0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2khq h ALA 82 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2khq h ALA 82 CO 0.07 0.27 -0.34 0.97 0.00 0.00 0.00 179.25 180.22 2khq h ILE 83 N 0.32 1.13 -0.61 0.00 2.10 0.03 0.88 117.51 121.35 2khq h ILE 83 Ca 0.06 -1.23 0.14 0.00 1.08 0.00 0.00 64.86 64.92 2khq h ILE 83 Cb 0.66 1.68 -0.03 0.00 -1.09 0.00 0.00 36.82 38.04 2khq h ILE 83 CO 0.04 0.34 0.42 0.45 -1.08 0.00 0.00 178.15 178.32 2khq h HIS 84 N 0.00 0.24 0.01 2.19 3.86 -1.29 -1.80 115.15 118.36 2khq h HIS 84 Ca -0.00 0.01 -0.35 0.00 -1.16 0.00 0.00 60.37 58.87 2khq h HIS 84 Cb 0.66 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.99 2khq h HIS 84 CO 0.00 0.10 -2.13 -1.91 0.86 0.00 0.00 177.93 174.85 2khq n GLU 85 N -4.43 0.67 0.00 2.45 2.13 -0.76 -5.00 120.64 115.71 2khq n GLU 85 Ca 0.11 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2khq n GLU 85 Cb 0.54 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.61 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 1.78 1.75 0.31 8.31 0.00 0.13 -5.03 105.19 112.44 2khq n GLY 86 Ca -0.29 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.69 -3.14 1.61 5.03 -1.33 -3.41 116.97 115.05 2khq h TYR 87 Ca 0.00 -0.01 -0.66 0.00 2.58 0.00 0.00 58.73 60.63 2khq h TYR 87 Cb 0.00 0.23 -0.35 0.00 1.55 0.00 0.00 36.73 38.16 2khq h TYR 87 CO 0.00 -0.42 -0.86 0.08 -1.32 0.00 0.00 178.16 175.63 2khq s VAL 88 N -6.08 2.01 0.12 1.81 1.01 -1.26 -4.98 120.40 113.03 2khq s VAL 88 Ca -0.17 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2khq s VAL 88 Cb 0.04 -1.79 -0.21 0.00 0.00 0.00 0.00 36.38 34.41 2khq s VAL 88 CO 0.63 0.54 1.27 -0.29 0.00 0.00 0.00 175.10 177.24 2khq h ILE 89 N 5.89 1.57 -3.51 2.22 2.10 -1.97 -3.41 117.51 120.41 2khq h ILE 89 Ca -0.38 -3.03 -0.62 0.00 1.08 0.00 0.00 64.86 61.91 2khq h ILE 89 Cb 1.17 2.75 -0.39 0.00 -1.09 0.00 0.00 36.82 39.25 2khq h ILE 89 CO 0.58 0.88 -0.75 -0.54 -1.08 0.00 0.00 178.15 177.24 2khq s LYS 90 N -2.87 1.28 0.48 2.19 -0.14 -1.26 -5.11 119.74 114.31 2khq s LYS 90 Ca -0.02 -1.40 -0.24 0.00 -1.36 0.00 0.00 55.97 52.95 2khq s LYS 90 Cb 0.09 -2.66 -0.07 0.00 -1.68 0.00 0.00 37.83 33.50 2khq s LYS 90 CO 0.84 -0.87 1.42 0.09 -0.76 0.00 0.00 175.35 176.08 2khq n ASN 91 N 4.54 3.20 0.00 2.83 3.02 -1.26 -4.86 115.26 122.73 2khq n ASN 91 Ca -0.02 1.08 0.02 0.00 -0.03 0.00 0.00 54.58 55.63 2khq n ASN 91 Cb 0.42 -1.60 0.07 0.00 -0.61 0.00 0.00 39.78 38.07 2khq n ASN 91 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2khq n PRO 92 N -0.42 0.01 -2.17 3.52 -0.02 -1.26 -4.23 135.00 130.43 2khq n PRO 92 Ca 0.06 0.42 -0.38 0.00 -2.02 0.00 0.00 63.50 61.58 2khq n PRO 92 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 2khq n PRO 92 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2khq n THR 93 N -1.47 3.02 0.00 3.45 -2.24 -1.26 -4.46 114.28 111.32 2khq n THR 93 Ca 0.01 -3.05 0.00 0.00 -2.27 0.00 0.00 64.05 58.74 2khq n THR 93 Cb 0.04 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 65.95 2khq n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2khq n TYR 94 N 10.00 0.00 -3.71 4.78 9.36 -1.26 -4.75 117.16 131.57 2khq n TYR 94 Ca 0.48 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 61.35 2khq n TYR 94 Cb 0.45 -0.06 -0.09 0.00 -0.63 0.00 0.00 39.34 39.01 2khq n TYR 94 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2khq s LYS 95 N -0.20 2.85 -0.82 2.98 -2.85 -1.26 -5.02 119.74 115.42 2khq s LYS 95 Ca 0.00 -2.97 -0.21 0.00 -1.00 0.00 0.00 55.97 51.79 2khq s LYS 95 Cb 0.00 -3.78 0.10 0.00 -2.06 0.00 0.00 37.83 32.09 2khq s LYS 95 CO 0.00 -1.23 1.07 0.00 0.10 0.00 0.00 175.35 175.30 2khq s ALA 96 N -0.82 3.22 -0.42 0.59 0.00 -1.26 -4.80 121.76 118.27 2khq s ALA 96 Ca 0.23 -2.35 -0.15 0.00 0.00 0.00 0.00 51.96 49.69 2khq s ALA 96 Cb -0.13 -3.99 0.03 0.00 0.00 0.00 0.00 23.12 19.03 2khq s ALA 96 CO -0.09 -2.93 0.32 -1.21 0.00 0.00 0.00 175.76 171.86 2khq s GLU 97 N 3.40 2.97 -0.16 0.00 0.41 -1.26 -4.94 118.70 119.11 2khq s GLU 97 Ca 0.29 -1.10 -0.02 0.00 -0.41 0.00 0.00 54.97 53.73 2khq s GLU 97 Cb -0.10 -4.01 0.03 0.00 -1.78 0.00 0.00 34.13 28.26 2khq s GLU 97 CO -0.01 -0.81 2.43 1.28 -0.49 0.00 0.00 175.26 177.65 2khq n LEU 98 N 5.17 5.84 -4.51 1.80 4.77 -1.26 -4.80 117.00 124.01 2khq n LEU 98 Ca -0.11 -3.07 -0.43 0.00 -0.03 0.00 0.00 56.01 52.36 2khq n LEU 98 Cb 0.46 -1.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.37 2khq n LEU 98 CO 0.42 1.31 1.58 -2.28 -1.33 0.00 0.00 177.39 177.10 2khq s HIS 99 N -0.63 3.11 -0.46 -1.77 2.46 -1.26 -4.87 115.29 111.87 2khq s HIS 99 Ca 0.31 -1.76 -0.28 0.00 0.47 0.00 0.00 55.06 53.79 2khq s HIS 99 Cb 0.19 -4.51 0.01 0.00 -0.13 0.00 0.00 32.58 28.14 2khq s HIS 99 CO -0.03 -1.61 1.48 0.00 -2.47 0.00 0.00 174.74 172.11 2khq s ALA 100 N 2.97 2.90 -2.00 1.58 0.00 -1.26 -4.83 121.76 121.12 2khq s ALA 100 Ca 0.46 -0.30 0.23 0.00 0.00 0.00 0.00 51.96 52.35 2khq s ALA 100 Cb -0.00 -4.02 1.35 0.00 0.00 0.00 0.00 23.12 20.45 2khq s ALA 100 CO 0.01 -2.69 1.74 0.43 0.00 0.00 0.00 175.76 175.25 2khq n SER 101 N 9.47 0.00 0.16 0.00 7.64 -1.21 -2.15 113.62 127.53 2khq n SER 101 Ca 0.16 -0.78 0.01 0.00 1.01 0.00 0.00 58.87 59.27 2khq n SER 101 Cb 0.48 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.92 2khq n SER 101 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2khq h VAL 102 N 0.00 1.30 -0.09 0.44 2.07 -1.84 -3.18 116.25 114.94 2khq h VAL 102 Ca 0.00 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2khq h VAL 102 Cb 0.00 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2khq h VAL 102 CO 0.00 0.52 0.00 0.18 0.02 0.00 0.00 177.57 178.29 2khq n LEU 103 N -3.79 2.31 -4.59 2.57 4.77 -0.92 -4.84 117.00 112.52 2khq n LEU 103 Ca -0.01 -0.84 -0.34 0.00 -0.03 0.00 0.00 56.01 54.79 2khq n LEU 103 Cb 0.56 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 2khq n LEU 103 CO 0.40 0.42 -0.34 -1.83 -1.33 0.00 0.00 177.39 174.71 2khq s GLU 104 N -1.90 3.16 0.50 3.23 -1.05 -1.20 -5.11 118.70 116.33 2khq s GLU 104 Ca 0.34 -0.48 0.04 0.00 -0.15 0.00 0.00 54.97 54.71 2khq s GLU 104 Cb 0.20 -2.78 -0.00 0.00 -0.44 0.00 0.00 34.13 31.11 2khq s GLU 104 CO 0.31 0.53 0.18 -1.01 0.95 0.00 0.00 175.26 176.22 2khq s HIS 105 N -0.43 1.93 -0.12 4.83 3.76 -1.26 -4.98 115.29 119.01 2khq s HIS 105 Ca 0.07 -0.84 -0.04 0.00 -0.15 0.00 0.00 55.06 54.10 2khq s HIS 105 Cb -0.12 -1.79 0.06 0.00 1.11 0.00 0.00 32.58 31.84 2khq s HIS 105 CO 0.02 -0.03 0.18 -1.58 -0.85 0.00 0.00 174.74 172.48 2khq s HIS 106 N -2.79 -0.19 0.58 1.40 2.46 -1.26 -5.16 115.29 110.34 2khq s HIS 106 Ca 0.23 0.49 0.04 0.00 0.47 0.00 0.00 55.06 56.29 2khq s HIS 106 Cb 0.01 -0.30 0.07 0.00 -0.13 0.00 0.00 32.58 32.23 2khq s HIS 106 CO 0.13 -0.37 0.81 -1.01 -2.47 0.00 0.00 174.74 171.84 2khq s HIS 107 N 2.30 2.06 0.58 3.88 3.76 -1.26 -5.11 115.29 121.49 2khq s HIS 107 Ca 0.04 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.55 2khq s HIS 107 Cb -0.13 -2.60 0.02 0.00 1.11 0.00 0.00 32.58 30.98 2khq s HIS 107 CO -0.08 -1.12 0.86 -1.01 -0.85 0.00 0.00 174.74 172.54 2khq s HIS 108 N -2.77 3.10 0.00 1.40 3.76 -1.26 -5.01 115.29 114.51 2khq s HIS 108 Ca 0.61 0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.92 2khq s HIS 108 Cb -0.07 -2.75 0.00 0.00 1.11 0.00 0.00 32.58 30.87 2khq s HIS 108 CO 0.39 -0.86 0.00 -2.39 -0.85 0.00 0.00 174.74 171.03 2khq n HIS 109 N -2.51 0.00 -0.64 1.40 1.44 -1.26 -5.34 115.22 108.31 2khq n HIS 109 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2khq n HIS 109 Cb 0.59 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.70 2khq n HIS 109 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11