#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrw s LYS 3 N 0.00 3.25 0.59 0.54 2.20 -1.26 -5.03 119.74 120.03 2qrw s LYS 3 Ca 0.00 1.32 -0.16 0.00 -0.36 0.00 0.00 55.97 56.78 2qrw s LYS 3 Cb 0.00 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 2qrw s LYS 3 CO 0.00 -0.88 1.05 -1.54 -0.36 0.00 0.00 175.35 173.63 2qrw s SER 4 N -2.50 5.80 0.20 1.43 1.04 -1.26 -4.87 113.70 113.55 2qrw s SER 4 Ca 0.66 1.80 -0.11 0.00 0.48 0.00 0.00 55.95 58.78 2qrw s SER 4 Cb -0.18 -2.53 0.25 0.00 0.10 0.00 0.00 66.02 63.65 2qrw s SER 4 CO 0.35 -1.15 1.73 0.15 0.98 0.00 0.00 173.24 175.29 2qrw h PHE 5 N 0.41 0.28 -0.20 5.02 3.57 -1.92 0.11 116.94 124.21 2qrw h PHE 5 Ca -0.47 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.12 2qrw h PHE 5 Cb 1.22 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.85 2qrw h PHE 5 CO 0.59 0.04 -0.31 -0.92 -2.23 0.00 0.00 178.31 175.48 2qrw h TYR 6 N 0.32 -0.86 -0.57 0.41 3.20 -1.35 -1.31 116.97 116.81 2qrw h TYR 6 Ca 0.29 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 2qrw h TYR 6 Cb 0.37 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2qrw h TYR 6 CO -0.20 -0.38 0.11 -0.44 -1.64 0.00 0.00 178.16 175.60 2qrw h ASP 7 N -0.35 0.89 -0.90 -2.11 3.32 -1.77 0.36 116.42 115.86 2qrw h ASP 7 Ca 0.12 -0.25 0.15 0.00 0.02 0.00 0.00 57.03 57.06 2qrw h ASP 7 Cb 0.53 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2qrw h ASP 7 CO -0.39 0.91 0.58 0.00 -1.72 0.00 0.00 179.24 178.62 2qrw h ALA 8 N 1.01 1.83 -0.40 3.45 0.00 0.00 -1.79 119.26 123.35 2qrw h ALA 8 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qrw h ALA 8 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qrw h ALA 8 CO 0.01 -0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.51 2qrw n VAL 9 N -4.57 0.53 -0.01 0.00 0.24 -0.57 -4.90 118.33 109.04 2qrw n VAL 9 Ca 0.18 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 2qrw n VAL 9 Cb 0.48 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 2qrw n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qrw n GLY 10 N 1.40 0.99 7.00 7.63 0.00 -0.67 -4.63 105.19 116.91 2qrw n GLY 10 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2qrw n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrw n GLY 11 N -2.01 1.83 0.31 -0.02 0.00 0.13 -3.24 105.19 102.19 2qrw n GLY 11 Ca 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.77 2qrw n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrw h ALA 12 N -0.43 1.38 -0.81 4.61 0.00 -1.96 -1.65 119.26 120.39 2qrw h ALA 12 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2qrw h ALA 12 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2qrw h ALA 12 CO 0.00 -0.27 0.33 -0.22 0.00 0.00 0.00 179.25 179.09 2qrw h LYS 13 N 0.46 1.21 -0.14 0.00 3.64 -1.95 0.28 116.57 120.06 2qrw h LYS 13 Ca 0.53 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 2qrw h LYS 13 Cb 0.93 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2qrw h LYS 13 CO -0.48 0.97 -0.11 1.15 -2.27 0.00 0.00 179.45 178.71 2qrw h THR 14 N 1.18 1.33 -0.55 1.00 2.02 -1.31 -1.47 112.91 115.11 2qrw h THR 14 Ca 0.27 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.14 2qrw h THR 14 Cb 0.20 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2qrw h THR 14 CO -0.02 0.36 -0.01 -0.26 0.37 0.00 0.00 175.52 175.95 2qrw h PHE 15 N -0.03 1.03 -0.58 3.16 0.04 -1.26 -0.28 116.94 119.01 2qrw h PHE 15 Ca 0.03 -0.17 0.02 0.00 2.80 0.00 0.00 57.97 60.65 2qrw h PHE 15 Cb 0.61 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 2qrw h PHE 15 CO 0.08 0.93 0.36 0.22 -0.60 0.00 0.00 178.31 179.29 2qrw h ASP 16 N 0.87 0.59 -0.19 2.17 -0.00 -0.94 -0.94 116.42 117.98 2qrw h ASP 16 Ca 0.16 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.18 2qrw h ASP 16 Cb 0.53 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.72 2qrw h ASP 16 CO 0.03 0.42 0.09 0.00 -0.00 0.00 0.00 179.24 179.78 2qrw h ALA 17 N 1.24 0.24 0.08 -0.78 0.00 -0.79 -0.52 119.26 118.73 2qrw h ALA 17 Ca 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qrw h ALA 17 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qrw h ALA 17 CO -0.09 -0.20 -0.04 0.82 0.00 0.00 0.00 179.25 179.74 2qrw h ILE 18 N 0.18 0.94 -0.17 0.00 2.04 -0.90 -1.51 117.51 118.10 2qrw h ILE 18 Ca 0.06 -0.07 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 2qrw h ILE 18 Cb 0.11 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2qrw h ILE 18 CO -0.01 0.02 -0.52 0.58 0.00 0.00 0.00 178.15 178.22 2qrw h VAL 19 N -0.14 1.33 -0.35 1.67 2.07 -1.15 -0.15 116.25 119.54 2qrw h VAL 19 Ca -0.01 -1.76 -0.14 0.00 0.82 0.00 0.00 66.70 65.61 2qrw h VAL 19 Cb 0.11 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2qrw h VAL 19 CO 0.02 0.54 -0.34 0.77 0.02 0.00 0.00 177.57 178.58 2qrw h SER 20 N 0.36 0.81 -0.07 0.57 4.64 -1.04 -1.29 113.55 117.53 2qrw h SER 20 Ca 0.01 -0.34 -0.17 0.00 -0.47 0.00 0.00 61.79 60.82 2qrw h SER 20 Cb 1.03 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2qrw h SER 20 CO 0.09 1.07 -0.57 0.03 -0.87 0.00 0.00 176.83 176.59 2qrw h ARG 21 N 0.65 0.67 0.09 4.77 3.08 -1.08 -1.51 114.38 121.04 2qrw h ARG 21 Ca 0.07 -0.43 0.01 0.00 0.07 0.00 0.00 59.98 59.69 2qrw h ARG 21 Cb 0.88 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2qrw h ARG 21 CO 0.08 1.05 -0.11 0.35 -1.07 0.00 0.00 179.97 180.27 2qrw h PHE 22 N 0.51 -0.28 -0.23 3.04 3.57 -0.91 -0.97 116.94 121.67 2qrw h PHE 22 Ca 0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2qrw h PHE 22 Cb 1.14 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2qrw h PHE 22 CO 0.06 -0.17 0.09 1.88 -2.23 0.00 0.00 178.31 177.93 2qrw h TYR 23 N -0.23 0.31 -0.64 0.41 0.05 -1.12 0.92 116.97 116.67 2qrw h TYR 23 Ca 0.01 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 2qrw h TYR 23 Cb 0.23 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 2qrw h TYR 23 CO -0.13 0.26 0.14 0.00 -1.05 0.00 0.00 178.16 177.38 2qrw h ALA 24 N 1.78 0.84 -0.58 3.88 0.00 -0.85 -2.13 119.26 122.20 2qrw h ALA 24 Ca 0.08 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2qrw h ALA 24 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qrw h ALA 24 CO -0.01 0.57 -0.02 1.96 0.00 0.00 0.00 179.25 181.75 2qrw h GLN 25 N 0.95 1.03 -0.65 0.00 1.08 0.06 -2.89 115.11 114.70 2qrw h GLN 25 Ca 0.20 -0.33 0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2qrw h GLN 25 Cb 0.38 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 2qrw h GLN 25 CO 0.01 1.02 0.40 0.28 -0.95 0.00 0.00 178.83 179.58 2qrw h VAL 26 N 0.94 1.07 -0.19 -0.54 2.07 -0.65 -1.51 116.25 117.44 2qrw h VAL 26 Ca 0.16 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2qrw h VAL 26 Cb 0.57 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2qrw h VAL 26 CO 0.03 0.14 0.14 0.00 0.02 0.00 0.00 177.57 177.90 2qrw h ALA 27 N 1.29 2.15 -0.55 1.67 0.00 -1.18 -1.56 119.26 121.08 2qrw h ALA 27 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qrw h ALA 27 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qrw h ALA 27 CO -0.11 -0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.29 2qrw n GLU 28 N -4.43 2.40 -3.73 0.00 -0.58 -0.60 -4.84 120.64 108.86 2qrw n GLU 28 Ca 0.01 -2.16 -0.37 0.00 -0.42 0.00 0.00 57.16 54.23 2qrw n GLU 28 Cb 0.27 -1.48 -0.12 0.00 -0.57 0.00 0.00 31.44 29.54 2qrw n GLU 28 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2qrw s ASP 29 N -1.11 5.26 0.56 1.62 -1.08 -0.59 -4.98 116.67 116.35 2qrw s ASP 29 Ca 0.40 -0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.52 2qrw s ASP 29 Cb 0.21 -1.95 1.68 0.00 -1.46 0.00 0.00 42.92 41.41 2qrw s ASP 29 CO 0.29 -0.04 2.18 -0.33 0.52 0.00 0.00 175.17 177.78 2qrw h GLU 30 N 8.26 0.00 0.00 4.34 3.07 -1.91 -0.78 114.58 127.56 2qrw h GLU 30 Ca -0.38 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.46 2qrw h GLU 30 Cb 1.17 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2qrw h GLU 30 CO 0.58 0.05 -0.19 0.28 -1.40 0.00 0.00 179.01 178.32 2qrw h VAL 31 N 0.00 0.80 0.00 3.13 2.07 -1.93 -3.41 116.25 116.91 2qrw h VAL 31 Ca -0.00 -1.65 -0.16 0.00 0.82 0.00 0.00 66.70 65.71 2qrw h VAL 31 Cb 0.14 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2qrw h VAL 31 CO 0.01 0.27 -0.76 -0.07 0.02 0.00 0.00 177.57 177.04 2qrw h LEU 32 N -1.00 0.00 -2.46 2.57 4.07 -1.78 -3.14 115.31 113.58 2qrw h LEU 32 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 2qrw h LEU 32 Cb 0.59 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 2qrw h LEU 32 CO -0.02 0.76 -0.02 0.08 -1.08 0.00 0.00 178.44 178.16 2qrw h ARG 33 N 0.00 0.00 -0.01 1.13 0.11 -1.14 0.40 114.38 114.87 2qrw h ARG 33 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2qrw h ARG 33 Cb 1.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.61 2qrw h ARG 33 CO 0.10 0.02 -0.32 0.54 0.10 0.00 0.00 179.97 180.40 2qrw n ARG 34 N -3.23 0.64 -0.11 0.08 5.12 -1.19 -4.41 116.66 113.56 2qrw n ARG 34 Ca -0.02 -0.38 -0.22 0.00 -1.93 0.00 0.00 57.85 55.30 2qrw n ARG 34 Cb 0.15 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 29.87 2qrw n ARG 34 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2qrw n VAL 35 N -0.85 1.26 -2.13 1.55 0.31 0.08 -4.99 118.33 113.57 2qrw n VAL 35 Ca 0.11 -0.36 -0.34 0.00 -0.01 0.00 0.00 64.34 63.73 2qrw n VAL 35 Cb 0.35 -1.67 0.01 0.00 -0.91 0.00 0.00 33.84 31.61 2qrw n VAL 35 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2qrw s TYR 36 N -2.43 2.70 -0.33 3.52 1.51 -0.92 -4.92 117.35 116.49 2qrw s TYR 36 Ca -0.32 1.55 -0.29 0.00 -1.01 0.00 0.00 57.07 57.01 2qrw s TYR 36 Cb 0.11 -3.23 -0.01 0.00 -0.11 0.00 0.00 41.96 38.72 2qrw s TYR 36 CO 0.43 -1.53 1.68 -1.25 -1.11 0.00 0.00 175.55 173.77 2qrw s PRO 37 N -3.55 3.48 0.46 -1.71 0.04 -1.26 -4.87 135.00 127.59 2qrw s PRO 37 Ca 0.70 1.37 0.13 0.00 0.04 0.00 0.00 61.00 63.23 2qrw s PRO 37 Cb -0.22 -4.13 1.07 0.00 0.04 0.00 0.00 34.50 31.26 2qrw s PRO 37 CO 0.31 -1.68 2.07 1.05 0.04 0.00 0.00 177.00 178.79 2qrw h GLU 38 N 11.96 0.29 -0.51 4.56 -0.00 -1.91 -2.16 114.58 126.81 2qrw h GLU 38 Ca -0.32 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 2qrw h GLU 38 Cb 1.15 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 2qrw h GLU 38 CO 1.04 0.19 0.00 -0.40 -0.00 0.00 0.00 179.01 179.84 2qrw n ASP 39 N -4.49 3.23 -2.15 3.06 3.85 -1.26 -4.33 116.55 114.47 2qrw n ASP 39 Ca 0.03 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.14 2qrw n ASP 39 Cb 0.17 -0.34 0.04 0.00 -1.35 0.00 0.00 41.12 39.63 2qrw n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2qrw n ASP 40 N 1.29 0.58 0.06 -1.12 2.03 -0.82 -4.95 116.55 113.63 2qrw n ASP 40 Ca 0.20 -2.04 -0.07 0.00 0.52 0.00 0.00 54.79 53.40 2qrw n ASP 40 Cb 0.54 -0.14 0.10 0.00 -0.72 0.00 0.00 41.12 40.89 2qrw n ASP 40 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qrw h LEU 41 N 1.51 0.37 -0.26 -2.67 3.38 -1.74 -1.82 115.31 114.08 2qrw h LEU 41 Ca -0.27 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 2qrw h LEU 41 Cb 1.50 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2qrw h LEU 41 CO 0.04 0.89 -0.23 0.00 0.09 0.00 0.00 178.44 179.22 2qrw h ALA 42 N 1.11 0.38 -0.53 1.53 0.00 -1.92 -1.49 119.26 118.35 2qrw h ALA 42 Ca -0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2qrw h ALA 42 Cb 1.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2qrw h ALA 42 CO 0.10 0.35 -0.03 0.78 0.00 0.00 0.00 179.25 180.45 2qrw h GLY 43 N 0.35 1.01 0.89 0.00 0.00 -1.95 -1.61 103.07 101.75 2qrw h GLY 43 Ca 0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 2qrw h GLY 43 CO 0.06 0.68 0.05 0.00 0.00 0.00 0.00 176.54 177.32 2qrw h ALA 44 N 1.10 0.41 -0.36 3.60 0.00 -1.29 -1.50 119.26 121.23 2qrw h ALA 44 Ca 0.15 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qrw h ALA 44 Cb 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2qrw h ALA 44 CO 0.03 0.11 0.15 1.49 0.00 0.00 0.00 179.25 181.03 2qrw h GLU 45 N 0.34 0.31 -0.94 0.00 4.81 -1.13 -2.23 114.58 115.74 2qrw h GLU 45 Ca 0.09 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2qrw h GLU 45 Cb 0.35 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2qrw h GLU 45 CO 0.01 0.21 0.62 1.49 -0.73 0.00 0.00 179.01 180.60 2qrw h GLU 46 N 0.32 1.20 -0.61 1.92 4.81 -1.12 -0.91 114.58 120.20 2qrw h GLU 46 Ca 0.16 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2qrw h GLU 46 Cb 0.10 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2qrw h GLU 46 CO -0.13 0.80 0.12 0.00 -0.73 0.00 0.00 179.01 179.07 2qrw h ARG 47 N 1.24 0.99 -0.41 1.92 3.08 -0.95 -0.40 114.38 119.84 2qrw h ARG 47 Ca 0.36 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2qrw h ARG 47 Cb -0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2qrw h ARG 47 CO -0.09 0.91 0.11 1.25 -1.07 0.00 0.00 179.97 181.08 2qrw h LEU 48 N 0.89 0.61 -0.16 3.04 5.85 -1.17 0.22 115.31 124.59 2qrw h LEU 48 Ca 0.19 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2qrw h LEU 48 Cb 0.39 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2qrw h LEU 48 CO 0.01 0.67 0.04 -0.09 -0.34 0.00 0.00 178.44 178.72 2qrw h ARG 49 N 0.52 0.10 -0.96 1.25 2.43 -1.06 -0.45 114.38 116.22 2qrw h ARG 49 Ca 0.13 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2qrw h ARG 49 Cb 0.29 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 2qrw h ARG 49 CO -0.00 0.07 0.62 0.52 -1.51 0.00 0.00 179.97 179.67 2qrw h MET 50 N 0.11 1.17 -0.04 0.20 2.86 -0.85 -1.17 114.93 117.20 2qrw h MET 50 Ca 0.07 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2qrw h MET 50 Cb 0.06 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 2qrw h MET 50 CO -0.09 0.77 0.01 0.35 1.06 0.00 0.00 176.91 179.01 2qrw h PHE 51 N 1.20 0.08 -0.66 -0.22 3.57 -0.51 -2.30 116.94 118.09 2qrw h PHE 51 Ca 0.38 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 2qrw h PHE 51 Cb 0.02 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2qrw h PHE 51 CO -0.01 0.32 0.28 -0.07 -2.23 0.00 0.00 178.31 176.60 2qrw h LEU 52 N -0.18 0.90 -0.67 0.59 3.38 -0.93 0.29 115.31 118.68 2qrw h LEU 52 Ca 0.01 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2qrw h LEU 52 Cb 0.28 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2qrw h LEU 52 CO 0.00 0.81 0.37 -0.33 0.09 0.00 0.00 178.44 179.38 2qrw h GLU 53 N 0.93 0.65 -0.19 1.13 5.08 -1.19 -1.10 114.58 119.89 2qrw h GLU 53 Ca 0.22 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2qrw h GLU 53 Cb 0.18 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2qrw h GLU 53 CO -0.02 0.43 -0.12 0.37 -1.00 0.00 0.00 179.01 178.67 2qrw h GLN 54 N 0.67 0.42 -0.95 2.33 4.15 -0.92 0.67 115.11 121.48 2qrw h GLN 54 Ca 0.30 -0.20 0.08 0.00 0.77 0.00 0.00 58.65 59.60 2qrw h GLN 54 Cb 0.20 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.82 2qrw h GLN 54 CO -0.19 0.74 0.60 -0.92 -1.93 0.00 0.00 178.83 177.13 2qrw h TYR 55 N 0.10 1.11 -0.33 3.99 5.03 0.03 -2.03 116.97 124.88 2qrw h TYR 55 Ca 0.04 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2qrw h TYR 55 Cb 0.63 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2qrw h TYR 55 CO 0.07 0.54 0.00 0.91 -1.32 0.00 0.00 178.16 178.36 2qrw n TRP 56 N -4.57 0.83 -0.00 -3.82 7.02 -0.46 -4.86 117.44 111.58 2qrw n TRP 56 Ca 0.15 -0.32 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 2qrw n TRP 56 Cb 0.22 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 28.93 2qrw n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2qrw n GLY 57 N 0.64 0.96 0.00 6.99 0.00 -0.76 -0.94 105.19 112.08 2qrw n GLY 57 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2qrw n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrw n GLY 58 N -2.00 -0.14 3.62 -0.02 0.00 0.23 -4.80 105.19 102.08 2qrw n GLY 58 Ca 0.00 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2qrw n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qrw n PRO 59 N 0.00 1.39 -1.02 1.61 -0.02 -1.26 -4.59 135.00 131.11 2qrw n PRO 59 Ca 0.00 0.50 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 2qrw n PRO 59 Cb 0.00 -2.10 0.25 0.00 -0.02 0.00 0.00 33.50 31.64 2qrw n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qrw n ARG 60 N 0.05 3.16 -0.18 -0.52 1.74 -1.26 -3.40 116.66 116.24 2qrw n ARG 60 Ca 0.09 -2.86 0.01 0.00 -0.77 0.00 0.00 57.85 54.33 2qrw n ARG 60 Cb 0.40 -2.15 0.28 0.00 -1.02 0.00 0.00 32.46 29.97 2qrw n ARG 60 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2qrw h THR 61 N 2.05 1.17 -0.26 0.55 2.02 -1.90 -2.83 112.91 113.70 2qrw h THR 61 Ca 0.36 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 67.28 2qrw h THR 61 Cb 2.41 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 68.89 2qrw h THR 61 CO 0.81 0.17 -0.37 0.22 0.37 0.00 0.00 175.52 176.72 2qrw h TYR 62 N 0.94 -1.04 -0.85 3.16 3.20 -1.79 -0.84 116.97 119.75 2qrw h TYR 62 Ca 0.26 0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.21 2qrw h TYR 62 Cb -0.09 0.49 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 2qrw h TYR 62 CO -0.00 -0.42 0.56 0.66 -1.64 0.00 0.00 178.16 177.32 2qrw h SER 63 N -0.36 0.92 -0.31 -2.11 4.64 -1.69 0.36 113.55 115.00 2qrw h SER 63 Ca 0.12 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 2qrw h SER 63 Cb 0.57 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2qrw h SER 63 CO -0.46 0.63 0.08 -0.33 -0.87 0.00 0.00 176.83 175.88 2qrw h GLU 64 N 1.07 0.49 0.10 4.77 5.08 -1.32 0.11 114.58 124.89 2qrw h GLU 64 Ca 0.34 -0.12 -0.27 0.00 -1.00 0.00 0.00 59.36 58.31 2qrw h GLU 64 Cb 0.02 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2qrw h GLU 64 CO -0.10 0.56 -1.18 1.96 -1.00 0.00 0.00 179.01 179.25 2qrw h GLN 65 N 0.34 0.40 -0.00 2.33 1.08 -0.76 -3.40 115.11 115.10 2qrw h GLN 65 Ca 0.10 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2qrw h GLN 65 Cb 0.29 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2qrw h GLN 65 CO 0.00 1.23 -0.05 0.54 -0.95 0.00 0.00 178.83 179.61 2qrw n ARG 66 N -3.66 5.85 0.00 1.46 5.12 0.12 -5.10 116.66 120.46 2qrw n ARG 66 Ca -0.10 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2qrw n ARG 66 Cb 0.97 -0.60 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 2qrw n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qrw n GLY 67 N 0.93 -0.93 3.65 -0.13 0.00 0.03 -4.80 105.19 103.93 2qrw n GLY 67 Ca 0.00 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 2qrw n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qrw n HIS 68 N 0.00 1.46 -0.27 1.61 8.25 -1.26 -4.29 115.22 120.73 2qrw n HIS 68 Ca 0.00 0.49 0.01 0.00 -0.26 0.00 0.00 57.72 57.97 2qrw n HIS 68 Cb 0.00 -2.26 0.14 0.00 1.12 0.00 0.00 29.99 28.99 2qrw n HIS 68 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2qrw h PRO 69 N 1.39 0.69 -6.85 -0.41 0.11 -1.97 -3.46 132.00 121.52 2qrw h PRO 69 Ca -0.47 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 2qrw h PRO 69 Cb 1.33 -0.16 -0.16 0.00 0.11 0.00 0.00 31.00 32.13 2qrw h PRO 69 CO 0.56 0.46 -0.93 0.54 -0.21 0.00 0.00 178.00 178.42 2qrw n ARG 70 N -4.79 -1.95 -0.05 1.05 1.74 -1.26 -4.73 116.66 106.67 2qrw n ARG 70 Ca 0.12 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2qrw n ARG 70 Cb 0.25 -4.07 0.29 0.00 -1.02 0.00 0.00 32.46 27.92 2qrw n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2qrw h LEU 71 N -1.76 0.58 -0.34 0.55 3.38 -1.98 -0.05 115.31 115.70 2qrw h LEU 71 Ca -0.64 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.26 2qrw h LEU 71 Cb 1.39 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 2qrw h LEU 71 CO 0.69 0.57 0.18 0.03 0.09 0.00 0.00 178.44 180.00 2qrw h ARG 72 N 0.62 0.36 -0.10 1.13 2.47 -1.95 -0.45 114.38 116.47 2qrw h ARG 72 Ca 0.15 -0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.70 2qrw h ARG 72 Cb 0.21 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2qrw h ARG 72 CO -0.01 0.24 -0.55 0.52 0.56 0.00 0.00 179.97 180.73 2qrw h MET 73 N 0.37 0.29 0.00 0.04 2.86 -1.76 -0.85 114.93 115.88 2qrw h MET 73 Ca 0.14 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2qrw h MET 73 Cb 0.03 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2qrw h MET 73 CO -0.08 0.77 -0.23 0.00 1.06 0.00 0.00 176.91 178.42 2qrw h ARG 74 N 0.22 0.00 -0.01 1.72 -0.00 -0.64 -2.44 114.38 113.23 2qrw h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2qrw h ARG 74 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.01 2qrw h ARG 74 CO 0.09 0.23 -0.40 0.72 0.00 0.00 0.00 179.97 180.61 2qrw n HIS 75 N -3.74 0.00 -0.26 3.04 8.25 -0.21 -4.42 115.22 117.87 2qrw n HIS 75 Ca -0.01 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.65 2qrw n HIS 75 Cb 0.34 -0.02 0.52 0.00 1.12 0.00 0.00 29.99 31.94 2qrw n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qrw h ALA 76 N 3.89 2.25 0.00 -1.41 0.00 -0.64 -0.99 119.26 122.35 2qrw h ALA 76 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qrw h ALA 76 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2qrw h ALA 76 CO 0.00 -0.56 0.00 -2.30 0.00 0.00 0.00 179.25 176.39 2qrw n PRO 77 N -4.52 0.08 -4.56 0.00 -0.02 -1.26 -4.74 135.00 119.97 2qrw n PRO 77 Ca 0.21 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 2qrw n PRO 77 Cb 0.76 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.42 2qrw n PRO 77 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2qrw s PHE 78 N -3.20 2.73 -0.75 6.00 0.40 -0.38 -5.06 117.98 117.72 2qrw s PHE 78 Ca 0.03 -0.14 -0.22 0.00 -0.60 0.00 0.00 56.93 56.00 2qrw s PHE 78 Cb 0.07 -1.54 0.08 0.00 0.51 0.00 0.00 43.02 42.14 2qrw s PHE 78 CO 0.23 0.31 1.05 1.03 0.70 0.00 0.00 175.22 178.54 2qrw s ARG 79 N -1.41 3.27 -0.50 0.44 0.52 -1.26 -4.90 118.95 115.11 2qrw s ARG 79 Ca 0.16 -1.07 -0.15 0.00 -0.52 0.00 0.00 55.73 54.15 2qrw s ARG 79 Cb -0.11 -4.47 0.10 0.00 0.52 0.00 0.00 34.95 30.99 2qrw s ARG 79 CO 0.06 -1.84 0.43 0.42 0.02 0.00 0.00 175.30 174.39 2qrw s ILE 80 N 3.83 5.09 0.44 1.52 1.01 -1.26 -4.91 121.20 126.92 2qrw s ILE 80 Ca 0.27 -1.33 0.06 0.00 0.00 0.00 0.00 60.65 59.65 2qrw s ILE 80 Cb -0.12 -4.16 0.08 0.00 0.01 0.00 0.00 42.46 38.26 2qrw s ILE 80 CO 0.04 -0.72 0.61 -1.54 0.00 0.00 0.00 174.94 173.33 2qrw n SER 81 N 5.19 1.49 -0.07 3.58 3.41 -1.26 -0.49 113.62 125.47 2qrw n SER 81 Ca -0.13 -2.10 0.19 0.00 -0.26 0.00 0.00 58.87 56.57 2qrw n SER 81 Cb 0.42 -0.33 0.62 0.00 -0.26 0.00 0.00 64.21 64.65 2qrw n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qrw h LEU 82 N 0.00 0.15 -0.26 1.04 4.07 -1.88 -1.21 115.31 117.21 2qrw h LEU 82 Ca -0.21 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.73 2qrw h LEU 82 Cb 0.92 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 2qrw h LEU 82 CO 0.28 0.08 0.02 0.40 -1.08 0.00 0.00 178.44 178.14 2qrw h ILE 83 N 0.16 1.24 -0.39 1.22 2.04 -1.95 -0.18 117.51 119.65 2qrw h ILE 83 Ca 0.31 -0.85 -0.13 0.00 1.00 0.00 0.00 64.86 65.19 2qrw h ILE 83 Cb 0.99 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2qrw h ILE 83 CO -0.05 0.27 -0.26 -0.33 0.00 0.00 0.00 178.15 177.78 2qrw h GLU 84 N 0.24 0.82 -0.51 2.37 3.07 -1.83 -1.74 114.58 117.01 2qrw h GLU 84 Ca 0.08 -0.36 0.03 0.00 -0.50 0.00 0.00 59.36 58.61 2qrw h GLU 84 Cb 0.38 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.22 2qrw h GLU 84 CO 0.01 0.99 0.29 -0.09 -1.40 0.00 0.00 179.01 178.80 2qrw h ARG 85 N 0.70 0.55 -0.36 2.33 2.43 -1.10 0.48 114.38 119.41 2qrw h ARG 85 Ca 0.09 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.06 2qrw h ARG 85 Cb 0.80 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2qrw h ARG 85 CO 0.07 0.36 -0.42 -0.44 -1.51 0.00 0.00 179.97 178.03 2qrw h ASP 86 N 0.57 0.99 -0.44 -3.80 3.45 -0.91 -1.93 116.42 114.34 2qrw h ASP 86 Ca 0.21 -0.47 -0.02 0.00 0.43 0.00 0.00 57.03 57.18 2qrw h ASP 86 Cb 0.06 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.53 2qrw h ASP 86 CO -0.11 1.27 0.19 0.00 -1.57 0.00 0.00 179.24 179.02 2qrw h ALA 87 N 0.77 0.57 -0.28 3.45 0.00 -1.11 -0.26 119.26 122.40 2qrw h ALA 87 Ca 0.05 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2qrw h ALA 87 Cb 1.02 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2qrw h ALA 87 CO 0.10 0.16 -0.09 0.35 0.00 0.00 0.00 179.25 179.77 2qrw h PHE 88 N 0.57 -0.19 -0.29 0.00 3.57 -0.81 -1.31 116.94 118.48 2qrw h PHE 88 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 2qrw h PHE 88 Cb 0.16 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2qrw h PHE 88 CO -0.00 -0.14 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.69 2qrw h LEU 89 N -0.02 0.52 -0.11 0.59 3.38 -1.16 -0.15 115.31 118.36 2qrw h LEU 89 Ca 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qrw h LEU 89 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2qrw h LEU 89 CO -0.30 0.72 0.07 -0.09 0.09 0.00 0.00 178.44 178.93 2qrw h ARG 90 N 0.48 0.15 -0.43 1.13 2.43 -0.71 0.14 114.38 117.57 2qrw h ARG 90 Ca 0.08 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 2qrw h ARG 90 Cb 0.59 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2qrw h ARG 90 CO 0.04 0.10 -0.03 0.00 -1.51 0.00 0.00 179.97 178.57 2qrw h MET 92 N 0.61 0.61 -0.96 0.00 -1.53 -0.97 -1.73 114.93 110.97 2qrw h MET 92 Ca 0.12 -0.14 0.05 0.00 -3.44 0.00 0.00 59.70 56.28 2qrw h MET 92 Cb 0.53 -0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 31.44 2qrw h MET 92 CO 0.03 0.64 0.62 0.45 0.14 0.00 0.00 176.91 178.79 2qrw h HIS 93 N 0.48 1.16 -0.19 1.39 -0.00 -0.62 0.64 115.15 118.00 2qrw h HIS 93 Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2qrw h HIS 93 Cb 0.29 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 2qrw h HIS 93 CO 0.02 0.63 0.11 1.15 -0.00 0.00 0.00 177.93 179.84 2qrw h THR 94 N 1.17 1.09 -0.45 2.45 2.02 -1.16 -0.46 112.91 117.57 2qrw h THR 94 Ca 0.40 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2qrw h THR 94 Cb 0.08 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2qrw h THR 94 CO -0.15 0.09 0.22 0.00 0.37 0.00 0.00 175.52 176.05 2qrw h ALA 95 N 1.01 0.58 -0.45 6.16 0.00 -0.75 -2.34 119.26 123.46 2qrw h ALA 95 Ca 0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2qrw h ALA 95 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2qrw h ALA 95 CO -0.01 0.14 -0.17 0.28 0.00 0.00 0.00 179.25 179.48 2qrw h VAL 96 N 0.58 1.27 0.00 0.00 2.07 -0.82 -2.52 116.25 116.82 2qrw h VAL 96 Ca 0.15 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2qrw h VAL 96 Cb 0.12 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2qrw h VAL 96 CO -0.02 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.01 2qrw h ALA 97 N 1.03 1.00 0.00 1.67 0.00 -0.87 -1.94 119.26 120.16 2qrw h ALA 97 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qrw h ALA 97 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2qrw h ALA 97 CO 0.05 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 2qrw n SER 98 N -3.05 0.00 -4.74 0.00 3.41 -0.90 -4.73 113.62 103.62 2qrw n SER 98 Ca -0.01 0.33 -0.38 0.00 -0.26 0.00 0.00 58.87 58.55 2qrw n SER 98 Cb 0.21 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 2qrw n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qrw s ILE 99 N -2.88 5.15 0.75 -1.33 -1.09 -0.73 -5.06 121.20 116.01 2qrw s ILE 99 Ca 0.16 0.96 -0.11 0.00 -2.23 0.00 0.00 60.65 59.44 2qrw s ILE 99 Cb 0.17 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2qrw s ILE 99 CO 0.45 0.36 1.08 1.51 -1.23 0.00 0.00 174.94 177.11 2qrw s ASP 100 N 0.40 4.79 0.49 3.58 3.84 -1.26 -4.81 116.67 123.71 2qrw s ASP 100 Ca 0.26 1.62 0.28 0.00 -0.00 0.00 0.00 52.55 54.72 2qrw s ASP 100 Cb -0.15 -2.40 1.04 0.00 -1.38 0.00 0.00 42.92 40.02 2qrw s ASP 100 CO 0.11 -1.82 1.86 0.28 -0.00 0.00 0.00 175.17 175.60 2qrw h SER 101 N -0.98 0.00 0.08 2.11 0.02 -1.97 -1.15 113.55 111.66 2qrw h SER 101 Ca -0.45 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2qrw h SER 101 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2qrw h SER 101 CO 0.55 0.09 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.96 2qrw h GLU 102 N 0.00 -0.10 0.43 3.45 3.07 -1.98 -2.99 114.58 116.46 2qrw h GLU 102 Ca -0.00 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2qrw h GLU 102 Cb 0.68 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2qrw h GLU 102 CO 0.01 0.14 -0.21 1.15 -1.40 0.00 0.00 179.01 178.71 2qrw h THR 103 N -0.34 0.50 -3.46 1.13 2.02 -1.88 -3.40 112.91 107.49 2qrw h THR 103 Ca -0.01 -0.44 -0.71 0.00 0.77 0.00 0.00 66.41 66.02 2qrw h THR 103 Cb 0.29 0.69 -0.33 0.00 -1.74 0.00 0.00 68.15 67.06 2qrw h THR 103 CO 0.02 0.07 -0.42 -0.22 0.37 0.00 0.00 175.52 175.34 2qrw s LEU 104 N -9.60 5.46 1.01 2.58 0.20 -0.45 -4.48 118.68 113.40 2qrw s LEU 104 Ca -0.14 -2.23 -0.14 0.00 0.69 0.00 0.00 54.13 52.30 2qrw s LEU 104 Cb 0.02 -1.91 0.19 0.00 -0.43 0.00 0.00 46.19 44.07 2qrw s LEU 104 CO 0.53 -0.55 1.14 1.51 -0.29 0.00 0.00 176.35 178.69 2qrw s ASP 105 N 1.82 2.63 0.21 3.68 3.84 -1.13 -4.18 116.67 123.55 2qrw s ASP 105 Ca 0.10 0.86 -0.09 0.00 -0.00 0.00 0.00 52.55 53.42 2qrw s ASP 105 Cb -0.23 -1.32 0.23 0.00 -1.38 0.00 0.00 42.92 40.23 2qrw s ASP 105 CO -0.03 -3.09 1.84 0.44 -0.00 0.00 0.00 175.17 174.33 2qrw h ASP 106 N -1.87 0.70 -0.38 2.11 3.32 -1.99 0.11 116.42 118.43 2qrw h ASP 106 Ca -0.50 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 2qrw h ASP 106 Cb 1.31 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2qrw h ASP 106 CO 0.52 0.47 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.40 2qrw h GLU 107 N 0.84 0.68 -0.27 3.56 4.81 -1.99 -1.31 114.58 120.90 2qrw h GLU 107 Ca 0.30 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 2qrw h GLU 107 Cb 0.09 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2qrw h GLU 107 CO -0.14 0.80 -0.34 0.45 -0.73 0.00 0.00 179.01 179.05 2qrw h HIS 108 N 0.50 0.86 -0.72 0.92 3.86 -1.85 -1.81 115.15 116.90 2qrw h HIS 108 Ca 0.10 -0.28 0.08 0.00 -1.16 0.00 0.00 60.37 59.12 2qrw h HIS 108 Cb 0.51 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 2qrw h HIS 108 CO 0.04 1.03 0.39 -0.09 0.86 0.00 0.00 177.93 180.17 2qrw h ARG 109 N 0.44 0.67 -0.28 2.45 2.43 -0.78 -0.31 114.38 119.00 2qrw h ARG 109 Ca 0.03 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 2qrw h ARG 109 Cb 0.92 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2qrw h ARG 109 CO 0.08 0.44 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.79 2qrw h ARG 110 N 0.69 0.56 -0.77 0.20 2.43 -1.10 -1.70 114.38 114.70 2qrw h ARG 110 Ca 0.34 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2qrw h ARG 110 Cb 0.29 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 2qrw h ARG 110 CO -0.23 0.78 0.30 1.49 -1.51 0.00 0.00 179.97 180.81 2qrw h GLU 111 N 0.31 1.14 0.42 0.20 4.81 -1.02 -0.11 114.58 120.33 2qrw h GLU 111 Ca 0.07 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2qrw h GLU 111 Cb 0.60 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2qrw h GLU 111 CO 0.03 0.93 -0.20 1.25 -0.73 0.00 0.00 179.01 180.29 2qrw h LEU 112 N 1.12 -0.48 -1.33 1.64 5.85 -0.98 -2.26 115.31 118.87 2qrw h LEU 112 Ca 0.26 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2qrw h LEU 112 Cb 0.22 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2qrw h LEU 112 CO -0.02 -0.21 0.01 -0.07 -0.34 0.00 0.00 178.44 177.81 2qrw h LEU 113 N -0.74 0.43 -0.49 2.25 4.07 -1.24 -1.46 115.31 118.13 2qrw h LEU 113 Ca -0.06 -0.07 0.01 0.00 0.08 0.00 0.00 57.88 57.84 2qrw h LEU 113 Cb 0.52 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 2qrw h LEU 113 CO 0.10 0.49 0.31 0.44 -1.08 0.00 0.00 178.44 178.69 2qrw h ASP 114 N 0.45 0.53 -0.29 -0.43 3.32 -0.98 -1.40 116.42 117.62 2qrw h ASP 114 Ca 0.10 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2qrw h ASP 114 Cb 0.28 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2qrw h ASP 114 CO 0.01 0.38 0.06 0.22 -1.72 0.00 0.00 179.24 178.19 2qrw h TYR 115 N 0.63 0.49 -0.50 4.55 5.03 -0.77 -2.36 116.97 124.03 2qrw h TYR 115 Ca 0.19 -0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 2qrw h TYR 115 Cb -0.04 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 2qrw h TYR 115 CO -0.05 0.54 0.20 -0.07 -1.32 0.00 0.00 178.16 177.46 2qrw h LEU 116 N 0.30 0.65 -0.19 2.82 3.38 -1.14 0.11 115.31 121.24 2qrw h LEU 116 Ca 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2qrw h LEU 116 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qrw h LEU 116 CO 0.00 0.59 -0.16 -0.33 0.09 0.00 0.00 178.44 178.64 2qrw h GLU 117 N 0.72 0.44 -0.31 1.13 5.08 -1.17 -0.47 114.58 120.00 2qrw h GLU 117 Ca 0.17 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2qrw h GLU 117 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2qrw h GLU 117 CO -0.02 0.78 0.18 1.98 -1.00 0.00 0.00 179.01 180.94 2qrw h MET 118 N 0.12 0.42 -0.49 2.33 4.05 -1.23 -1.96 114.93 118.17 2qrw h MET 118 Ca 0.03 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 2qrw h MET 118 Cb 0.69 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 2qrw h MET 118 CO 0.04 0.33 0.06 0.00 0.23 0.00 0.00 176.91 177.57 2qrw h ALA 119 N 1.07 0.65 -0.44 0.39 0.00 -0.76 -1.52 119.26 118.65 2qrw h ALA 119 Ca 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2qrw h ALA 119 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2qrw h ALA 119 CO -0.02 0.40 0.08 0.00 0.00 0.00 0.00 179.25 179.71 2qrw h ALA 120 N 0.95 0.59 -0.97 0.00 0.00 -1.02 -2.33 119.26 116.47 2qrw h ALA 120 Ca 0.15 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2qrw h ALA 120 Cb 0.42 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2qrw h ALA 120 CO 0.01 0.30 0.63 1.25 0.00 0.00 0.00 179.25 181.45 2qrw h HIS 121 N 0.59 1.19 0.00 0.00 6.17 -1.21 -2.02 115.15 119.86 2qrw h HIS 121 Ca 0.14 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.25 2qrw h HIS 121 Cb 0.37 -0.39 0.00 0.00 2.52 0.00 0.00 27.41 29.90 2qrw h HIS 121 CO 0.02 0.67 0.00 0.66 0.71 0.00 0.00 177.93 180.00 2qrw h SER 122 N 1.22 0.00 -0.08 3.26 4.64 -0.76 -2.70 113.55 119.12 2qrw h SER 122 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2qrw h SER 122 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2qrw h SER 122 CO -0.13 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.01 2qrw n LEU 123 N -3.07 2.26 -4.71 5.97 4.77 -0.77 -4.89 117.00 116.57 2qrw n LEU 123 Ca -0.01 -0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 2qrw n LEU 123 Cb 0.22 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2qrw n LEU 123 CO 0.24 0.40 1.39 -0.69 -1.33 0.00 0.00 177.39 177.40 2qrw s VAL 124 N -1.92 2.33 0.00 4.08 1.01 -1.02 -4.78 120.40 120.10 2qrw s VAL 124 Ca 0.34 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2qrw s VAL 124 Cb 0.20 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2qrw s VAL 124 CO 0.31 0.01 0.45 -0.46 0.00 0.00 0.00 175.10 175.41 2qrw n ASN 125 N 4.63 0.21 -3.90 3.32 0.23 0.36 -5.03 115.26 115.08 2qrw n ASN 125 Ca 0.16 -1.09 -0.10 0.00 -0.53 0.00 0.00 54.58 53.02 2qrw n ASN 125 Cb 0.37 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.97 2qrw n ASN 125 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2qrw s SER 126 N -0.09 0.09 0.46 0.53 0.01 -0.74 -4.81 113.70 109.15 2qrw s SER 126 Ca 0.00 -0.31 0.26 0.00 1.31 0.00 0.00 55.95 57.21 2qrw s SER 126 Cb 0.00 0.18 0.74 0.00 0.21 0.00 0.00 66.02 67.15 2qrw s SER 126 CO 0.00 -0.36 1.75 1.55 0.41 0.00 0.00 173.24 176.59 2qrw h PRO 127 N 4.33 0.00 0.00 12.44 0.13 -1.98 -3.35 132.00 143.56 2qrw h PRO 127 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2qrw h PRO 127 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qrw h PRO 127 CO 0.41 0.08 0.00 1.97 -0.23 0.00 0.00 178.00 180.23