#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 4.17 0.65 -0.52 2.20 -1.26 -4.98 119.74 120.00 2qrw s LYS 3 Ca 0.00 2.48 -0.14 0.00 -0.36 0.00 0.00 55.97 57.95 2qrw s LYS 3 Cb 0.00 -3.07 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 2qrw s LYS 3 CO 0.00 -0.59 1.08 -1.54 -0.36 0.00 0.00 175.35 173.94 2qrw s SER 4 N 0.62 5.36 0.18 1.43 1.04 -1.26 -4.84 113.70 116.24 2qrw s SER 4 Ca 0.64 1.84 -0.14 0.00 0.48 0.00 0.00 55.95 58.77 2qrw s SER 4 Cb -0.46 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.30 2qrw s SER 4 CO 0.43 -1.45 1.72 0.15 0.98 0.00 0.00 173.24 175.06 2qrw h PHE 5 N -0.07 0.16 -0.26 5.02 3.57 -1.92 0.15 116.94 123.59 2qrw h PHE 5 Ca -0.46 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.13 2qrw h PHE 5 Cb 1.23 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.89 2qrw h PHE 5 CO 0.58 0.01 -0.31 -0.92 -2.23 0.00 0.00 178.31 175.43 2qrw h TYR 6 N 0.24 -0.86 -0.60 0.41 3.20 -1.57 -0.57 116.97 117.22 2qrw h TYR 6 Ca 0.23 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 2qrw h TYR 6 Cb 0.30 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 2qrw h TYR 6 CO -0.22 -0.38 0.03 -0.44 -1.64 0.00 0.00 178.16 175.51 2qrw h ASP 7 N -0.31 1.01 -0.90 -2.11 3.32 -1.76 0.52 116.42 116.18 2qrw h ASP 7 Ca 0.13 -0.29 0.13 0.00 0.02 0.00 0.00 57.03 57.02 2qrw h ASP 7 Cb 0.53 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 2qrw h ASP 7 CO -0.43 1.05 0.58 0.00 -1.72 0.00 0.00 179.24 178.72 2qrw h ALA 8 N 0.99 1.75 -0.44 3.45 0.00 -0.09 -1.95 119.26 122.96 2qrw h ALA 8 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qrw h ALA 8 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qrw h ALA 8 CO 0.03 0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.63 2qrw n VAL 9 N -4.57 0.59 -0.05 0.00 0.24 -0.28 -4.90 118.33 109.37 2qrw n VAL 9 Ca 0.17 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2qrw n VAL 9 Cb 0.42 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 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 1.29 0.89 7.00 7.63 0.00 -0.73 -4.64 105.19 116.62 2qrw n GLY 10 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.04 3.06 0.21 -0.02 0.00 0.18 -3.67 105.19 102.92 2qrw n GLY 11 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.93 0.66 -0.71 4.61 0.00 -1.96 -1.72 119.26 119.20 2qrw h ALA 12 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qrw h ALA 12 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2qrw h ALA 12 CO 0.00 -0.13 0.46 -0.22 0.00 0.00 0.00 179.25 179.36 2qrw h LYS 13 N 0.45 0.95 -0.06 0.00 3.64 -1.97 0.19 116.57 119.77 2qrw h LYS 13 Ca 0.24 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2qrw h LYS 13 Cb 0.20 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2qrw h LYS 13 CO -0.20 0.64 -0.02 1.15 -2.27 0.00 0.00 179.45 178.75 2qrw h THR 14 N 0.97 1.31 -0.32 1.00 2.02 -1.41 -2.11 112.91 114.38 2qrw h THR 14 Ca 0.26 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 2qrw h THR 14 Cb -0.09 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2qrw h THR 14 CO -0.05 0.26 -0.08 -0.26 0.37 0.00 0.00 175.52 175.77 2qrw h PHE 15 N -0.25 0.56 -0.44 3.16 0.04 -1.14 -0.26 116.94 118.60 2qrw h PHE 15 Ca 0.01 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 2qrw h PHE 15 Cb 0.43 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2qrw h PHE 15 CO 0.06 0.60 0.14 0.22 -0.60 0.00 0.00 178.31 178.72 2qrw h ASP 16 N 0.49 0.64 -0.51 2.17 3.58 -0.95 -0.52 116.42 121.32 2qrw h ASP 16 Ca 0.10 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 2qrw h ASP 16 Cb 0.44 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2qrw h ASP 16 CO 0.02 0.67 0.24 0.00 -2.88 0.00 0.00 179.24 177.29 2qrw h ALA 17 N 0.99 0.66 -0.10 -0.78 0.00 -1.00 0.32 119.26 119.35 2qrw h ALA 17 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qrw h ALA 17 Cb 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qrw h ALA 17 CO -0.00 0.23 -0.01 0.82 0.00 0.00 0.00 179.25 180.29 2qrw h ILE 18 N 0.68 1.27 -0.22 0.00 2.04 -0.84 -1.71 117.51 118.72 2qrw h ILE 18 Ca 0.17 -0.85 -0.16 0.00 1.00 0.00 0.00 64.86 65.02 2qrw h ILE 18 Cb 0.14 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2qrw h ILE 18 CO -0.02 0.24 -0.54 0.58 0.00 0.00 0.00 178.15 178.42 2qrw h VAL 19 N -0.11 1.31 -0.11 1.67 2.07 -1.06 -0.57 116.25 119.44 2qrw h VAL 19 Ca 0.03 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 2qrw h VAL 19 Cb 0.38 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2qrw h VAL 19 CO 0.01 0.56 0.06 -1.28 0.02 0.00 0.00 177.57 176.94 2qrw h SER 20 N 0.49 0.13 -0.43 0.57 0.87 -0.95 -1.14 113.55 113.09 2qrw h SER 20 Ca 0.01 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 2qrw h SER 20 Cb 1.09 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 2qrw h SER 20 CO 0.11 0.16 0.02 0.03 -0.53 0.00 0.00 176.83 176.61 2qrw h ARG 21 N 0.10 0.83 -0.01 2.24 -0.00 -1.23 -1.81 114.38 114.50 2qrw h ARG 21 Ca 0.04 -0.22 0.02 0.00 -0.50 0.00 0.00 59.98 59.32 2qrw h ARG 21 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 29.97 29.90 2qrw h ARG 21 CO -0.01 0.82 -0.10 0.35 0.00 0.00 0.00 179.97 181.03 2qrw h PHE 22 N 0.78 -0.25 -0.53 3.04 3.57 -0.80 -1.46 116.94 121.28 2qrw h PHE 22 Ca 0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2qrw h PHE 22 Cb 0.44 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2qrw h PHE 22 CO 0.02 -0.15 0.30 1.88 -2.23 0.00 0.00 178.31 178.14 2qrw h TYR 23 N -0.17 0.70 -0.61 0.41 0.05 -0.98 0.43 116.97 116.79 2qrw h TYR 23 Ca 0.04 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 2qrw h TYR 23 Cb 0.22 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 2qrw h TYR 23 CO -0.17 0.48 0.25 0.00 -1.05 0.00 0.00 178.16 177.68 2qrw h ALA 24 N 1.60 1.29 -0.30 3.88 0.00 -1.06 -2.22 119.26 122.46 2qrw h ALA 24 Ca 0.19 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2qrw h ALA 24 Cb -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qrw h ALA 24 CO -0.03 0.53 -0.26 1.96 0.00 0.00 0.00 179.25 181.44 2qrw h GLN 25 N 0.88 0.71 -0.72 0.00 1.08 -0.17 -3.18 115.11 113.70 2qrw h GLN 25 Ca 0.21 -0.36 0.14 0.00 -1.45 0.00 0.00 58.65 57.19 2qrw h GLN 25 Cb 0.16 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.50 2qrw h GLN 25 CO -0.02 0.97 0.24 0.28 -0.95 0.00 0.00 178.83 179.35 2qrw h VAL 26 N 0.46 0.61 0.00 -0.54 2.07 -0.77 -0.80 116.25 117.28 2qrw h VAL 26 Ca 0.05 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2qrw h VAL 26 Cb 0.83 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2qrw h VAL 26 CO 0.07 0.07 -0.08 0.00 0.02 0.00 0.00 177.57 177.64 2qrw h ALA 27 N 1.55 1.36 -0.02 1.67 0.00 -1.39 -1.89 119.26 120.55 2qrw h ALA 27 Ca 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2qrw h ALA 27 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qrw h ALA 27 CO -0.43 0.10 -0.22 0.39 0.00 0.00 0.00 179.25 179.09 2qrw n GLU 28 N -3.71 1.62 -3.05 0.00 1.02 -0.42 -4.86 120.64 111.24 2qrw n GLU 28 Ca -0.02 -1.26 -0.41 0.00 -0.02 0.00 0.00 57.16 55.45 2qrw n GLU 28 Cb 0.19 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 2qrw n GLU 28 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2qrw s ASP 29 N -2.25 6.61 0.39 1.62 -1.08 -0.55 -4.95 116.67 116.47 2qrw s ASP 29 Ca 0.25 0.69 0.10 0.00 -0.52 0.00 0.00 52.55 53.07 2qrw s ASP 29 Cb 0.19 -2.36 0.89 0.00 -1.46 0.00 0.00 42.92 40.18 2qrw s ASP 29 CO 0.44 -0.45 1.94 -0.33 0.52 0.00 0.00 175.17 177.29 2qrw h GLU 30 N 7.96 0.57 0.10 4.34 3.07 -1.91 -1.56 114.58 127.15 2qrw h GLU 30 Ca -0.26 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 2qrw h GLU 30 Cb 1.11 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 2qrw h GLU 30 CO 0.81 0.38 -0.05 0.28 -1.40 0.00 0.00 179.01 179.03 2qrw h VAL 31 N 0.59 0.88 0.00 3.13 2.07 -1.92 -3.40 116.25 117.60 2qrw h VAL 31 Ca 0.33 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 2qrw h VAL 31 Cb 0.51 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2qrw h VAL 31 CO -0.11 0.26 -0.67 -0.07 0.02 0.00 0.00 177.57 177.00 2qrw h LEU 32 N -0.92 0.00 -1.17 2.57 3.38 -1.77 -3.18 115.31 114.23 2qrw h LEU 32 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qrw h LEU 32 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2qrw h LEU 32 CO 0.02 0.46 0.00 0.08 0.09 0.00 0.00 178.44 179.10 2qrw h ARG 33 N 0.00 0.00 -0.02 1.13 0.11 -1.23 0.23 114.38 114.61 2qrw h ARG 33 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2qrw h ARG 33 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 2qrw h ARG 33 CO 0.05 0.00 -0.18 0.54 0.10 0.00 0.00 179.97 180.49 2qrw n ARG 34 N -2.38 1.49 -0.08 0.08 5.12 -1.20 -4.43 116.66 115.26 2qrw n ARG 34 Ca 0.00 -1.07 -0.16 0.00 -1.93 0.00 0.00 57.85 54.69 2qrw n ARG 34 Cb 0.16 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 29.92 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 0.18 0.88 -1.73 1.55 0.31 0.01 -5.00 118.33 114.52 2qrw n VAL 35 Ca 0.14 -0.24 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 2qrw n VAL 35 Cb 0.44 -1.64 0.05 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.29 2.56 -0.30 3.52 1.51 -0.82 -4.92 117.35 116.60 2qrw s TYR 36 Ca -0.22 1.56 -0.29 0.00 -1.01 0.00 0.00 57.07 57.11 2qrw s TYR 36 Cb 0.08 -3.20 0.00 0.00 -0.11 0.00 0.00 41.96 38.73 2qrw s TYR 36 CO 0.29 -1.79 1.30 -1.25 -1.11 0.00 0.00 175.55 173.00 2qrw s PRO 37 N -4.06 3.91 0.54 -1.71 0.04 -1.26 -4.88 135.00 127.58 2qrw s PRO 37 Ca 0.68 1.24 0.21 0.00 0.04 0.00 0.00 61.00 63.17 2qrw s PRO 37 Cb -0.21 -3.88 1.45 0.00 0.04 0.00 0.00 34.50 31.90 2qrw s PRO 37 CO 0.42 -1.13 2.16 1.05 0.04 0.00 0.00 177.00 179.54 2qrw h GLU 38 N 9.31 0.00 -0.54 4.56 -0.00 -1.91 -2.02 114.58 123.99 2qrw h GLU 38 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 2qrw h GLU 38 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 2qrw h GLU 38 CO 1.03 0.00 0.00 -0.40 -0.00 0.00 0.00 179.01 179.64 2qrw n ASP 39 N -4.30 3.58 -1.71 3.06 3.85 -1.26 -4.41 116.55 115.36 2qrw n ASP 39 Ca -0.02 -1.99 0.02 0.00 -0.71 0.00 0.00 54.79 52.10 2qrw n ASP 39 Cb 0.15 -0.35 0.02 0.00 -1.35 0.00 0.00 41.12 39.58 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 1.50 0.87 0.10 -1.12 2.03 -0.77 -4.92 116.55 114.25 2qrw n ASP 40 Ca 0.21 -2.01 -0.04 0.00 0.52 0.00 0.00 54.79 53.48 2qrw n ASP 40 Cb 0.60 -0.26 0.14 0.00 -0.72 0.00 0.00 41.12 40.88 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 1.18 0.17 0.09 -2.67 3.38 -1.75 -1.36 115.31 114.35 2qrw h LEU 41 Ca -0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2qrw h LEU 41 Cb 1.74 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2qrw h LEU 41 CO 0.07 0.74 -0.04 0.00 0.09 0.00 0.00 178.44 179.30 2qrw h ALA 42 N 1.26 -0.12 -0.77 1.53 0.00 -1.91 -0.54 119.26 118.72 2qrw h ALA 42 Ca -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2qrw h ALA 42 Cb 1.10 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2qrw h ALA 42 CO 0.09 -0.40 0.27 0.78 0.00 0.00 0.00 179.25 179.99 2qrw h GLY 43 N -0.46 1.26 0.95 0.00 0.00 -1.95 -1.31 103.07 101.56 2qrw h GLY 43 Ca -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 2qrw h GLY 43 CO 0.02 0.68 0.15 0.00 0.00 0.00 0.00 176.54 177.39 2qrw h ALA 44 N 1.15 0.55 -0.79 3.60 0.00 -1.21 -0.66 119.26 121.89 2qrw h ALA 44 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2qrw h ALA 44 Cb 0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2qrw h ALA 44 CO -0.01 0.17 0.52 1.49 0.00 0.00 0.00 179.25 181.42 2qrw h GLU 45 N 0.53 1.03 -0.72 0.00 4.81 -0.85 -2.29 114.58 117.10 2qrw h GLU 45 Ca 0.14 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2qrw h GLU 45 Cb 0.22 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2qrw h GLU 45 CO -0.01 0.68 0.20 1.49 -0.73 0.00 0.00 179.01 180.65 2qrw h GLU 46 N 1.06 1.13 -0.59 1.92 4.81 -0.82 -1.61 114.58 120.47 2qrw h GLU 46 Ca 0.29 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2qrw h GLU 46 Cb -0.11 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 2qrw h GLU 46 CO -0.07 0.98 0.14 0.00 -0.73 0.00 0.00 179.01 179.33 2qrw h ARG 47 N 1.07 0.95 -0.56 1.92 3.08 -0.84 -0.97 114.38 119.04 2qrw h ARG 47 Ca 0.23 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2qrw h ARG 47 Cb 0.33 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2qrw h ARG 47 CO -0.00 0.88 0.10 1.25 -1.07 0.00 0.00 179.97 181.13 2qrw h LEU 48 N 0.86 0.88 0.08 3.04 5.85 -1.20 -0.65 115.31 124.17 2qrw h LEU 48 Ca 0.19 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2qrw h LEU 48 Cb 0.35 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2qrw h LEU 48 CO 0.00 0.91 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.88 2qrw h ARG 49 N 0.82 -0.10 -0.67 1.25 2.43 -1.17 -0.32 114.38 116.62 2qrw h ARG 49 Ca 0.17 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.46 2qrw h ARG 49 Cb 0.40 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 2qrw h ARG 49 CO 0.01 -0.06 0.26 0.52 -1.51 0.00 0.00 179.97 179.20 2qrw h MET 50 N -0.12 0.43 0.00 0.20 2.86 -1.03 0.54 114.93 117.81 2qrw h MET 50 Ca -0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qrw h MET 50 Cb 0.09 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2qrw h MET 50 CO 0.02 0.28 -0.00 0.35 1.06 0.00 0.00 176.91 178.62 2qrw h PHE 51 N 0.44 -0.01 -0.56 -0.22 3.57 -0.77 -2.16 116.94 117.24 2qrw h PHE 51 Ca 0.35 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 2qrw h PHE 51 Cb 0.46 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2qrw h PHE 51 CO -0.16 0.16 0.18 -0.07 -2.23 0.00 0.00 178.31 176.19 2qrw h LEU 52 N -0.17 0.81 -0.69 0.59 3.38 -0.73 0.50 115.31 119.00 2qrw h LEU 52 Ca -0.00 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2qrw h LEU 52 Cb 0.17 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2qrw h LEU 52 CO 0.00 0.79 0.36 -0.33 0.09 0.00 0.00 178.44 179.35 2qrw h GLU 53 N 0.78 0.62 -0.21 1.13 5.08 -0.85 -2.06 114.58 119.07 2qrw h GLU 53 Ca 0.18 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2qrw h GLU 53 Cb 0.27 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2qrw h GLU 53 CO -0.01 0.41 -0.29 0.37 -1.00 0.00 0.00 179.01 178.50 2qrw h GLN 54 N 0.64 0.57 -0.99 2.33 4.15 -1.03 0.30 115.11 121.08 2qrw h GLN 54 Ca 0.32 -0.33 0.09 0.00 0.77 0.00 0.00 58.65 59.50 2qrw h GLN 54 Cb 0.27 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.92 2qrw h GLN 54 CO -0.22 0.93 0.64 -0.92 -1.93 0.00 0.00 178.83 177.32 2qrw h TYR 55 N 0.25 1.16 -0.41 3.99 5.03 -0.53 -1.81 116.97 124.66 2qrw h TYR 55 Ca 0.02 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2qrw h TYR 55 Cb 0.86 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.77 2qrw h TYR 55 CO 0.08 0.54 0.00 0.91 -1.32 0.00 0.00 178.16 178.37 2qrw n TRP 56 N -4.55 0.54 0.00 -3.82 7.02 -0.81 -4.87 117.44 110.96 2qrw n TRP 56 Ca 0.17 -0.27 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 2qrw n TRP 56 Cb 0.26 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.15 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 1.16 1.12 0.00 6.99 0.00 -0.68 -1.47 105.19 112.32 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 -1.57 1.12 3.57 -0.02 0.00 0.11 -4.80 105.19 103.60 2qrw n GLY 58 Ca 0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 1.20 -1.01 1.61 -0.02 -1.26 -4.57 135.00 130.94 2qrw n PRO 59 Ca 0.00 0.43 -0.17 0.00 -2.02 0.00 0.00 63.50 61.73 2qrw n PRO 59 Cb 0.00 -1.87 0.17 0.00 -0.02 0.00 0.00 33.50 31.78 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 0.42 2.32 -0.10 -0.52 1.74 -1.26 -3.31 116.66 115.94 2qrw n ARG 60 Ca 0.10 -2.57 -0.01 0.00 -0.77 0.00 0.00 57.85 54.59 2qrw n ARG 60 Cb 0.37 -2.02 0.23 0.00 -1.02 0.00 0.00 32.46 30.02 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 1.13 1.21 -0.36 0.55 2.02 -1.90 -2.88 112.91 112.69 2qrw h THR 61 Ca 0.48 -0.71 0.08 0.00 0.77 0.00 0.00 66.41 67.03 2qrw h THR 61 Cb 2.51 0.65 -0.09 0.00 -1.74 0.00 0.00 68.15 69.48 2qrw h THR 61 CO 0.89 0.27 -0.27 0.22 0.37 0.00 0.00 175.52 177.00 2qrw h TYR 62 N 0.75 -0.72 -0.26 3.16 3.20 -1.80 -0.66 116.97 120.64 2qrw h TYR 62 Ca 0.17 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 2qrw h TYR 62 Cb 0.23 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2qrw h TYR 62 CO 0.01 -0.34 -0.23 0.66 -1.64 0.00 0.00 178.16 176.62 2qrw h SER 63 N -0.22 0.48 -0.51 -2.11 4.64 -1.69 0.42 113.55 114.55 2qrw h SER 63 Ca 0.17 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2qrw h SER 63 Cb 0.49 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2qrw h SER 63 CO -0.48 0.71 0.28 -0.33 -0.87 0.00 0.00 176.83 176.14 2qrw h GLU 64 N 0.43 0.72 0.14 4.77 5.08 -1.33 0.11 114.58 124.49 2qrw h GLU 64 Ca 0.07 -0.08 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 2qrw h GLU 64 Cb 0.64 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2qrw h GLU 64 CO 0.05 0.56 -1.40 1.96 -1.00 0.00 0.00 179.01 179.17 2qrw h GLN 65 N 0.68 0.29 0.00 2.33 1.08 -0.71 -3.40 115.11 115.38 2qrw h GLN 65 Ca 0.18 -0.49 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2qrw h GLN 65 Cb 0.05 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2qrw h GLN 65 CO -0.03 1.19 -0.26 0.54 -0.95 0.00 0.00 178.83 179.32 2qrw n ARG 66 N -3.51 5.22 0.00 1.46 5.12 0.14 -5.10 116.66 119.99 2qrw n ARG 66 Ca -0.13 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 2qrw n ARG 66 Cb 1.04 -0.64 0.00 0.00 -1.16 0.00 0.00 32.46 31.70 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 1.35 -1.54 3.74 -0.13 0.00 0.39 -4.82 105.19 104.18 2qrw n GLY 67 Ca 0.00 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 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 2.52 -0.23 1.61 8.25 -1.26 -4.28 115.22 121.82 2qrw n HIS 68 Ca 0.00 0.48 0.03 0.00 -0.26 0.00 0.00 57.72 57.97 2qrw n HIS 68 Cb 0.00 -2.44 0.15 0.00 1.12 0.00 0.00 29.99 28.82 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 2.40 0.38 -6.90 -0.41 0.11 -1.97 -3.46 132.00 122.15 2qrw h PRO 69 Ca -0.49 -0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.01 2qrw h PRO 69 Cb 1.27 -0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 2qrw h PRO 69 CO 0.61 0.25 -0.95 0.54 -0.21 0.00 0.00 178.00 178.24 2qrw n ARG 70 N -5.04 -1.48 -0.15 1.05 1.74 -1.26 -4.72 116.66 106.80 2qrw n ARG 70 Ca 0.12 0.18 0.01 0.00 -0.77 0.00 0.00 57.85 57.38 2qrw n ARG 70 Cb 0.37 -3.73 0.27 0.00 -1.02 0.00 0.00 32.46 28.35 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 -1.89 0.76 -0.32 0.55 3.38 -1.98 -0.83 115.31 114.99 2qrw h LEU 71 Ca -0.66 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.32 2qrw h LEU 71 Cb 1.39 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 2qrw h LEU 71 CO 0.66 0.59 0.07 0.03 0.09 0.00 0.00 178.44 179.88 2qrw h ARG 72 N 0.88 0.18 -0.07 1.13 3.08 -1.94 0.11 114.38 117.75 2qrw h ARG 72 Ca 0.23 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.12 2qrw h ARG 72 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2qrw h ARG 72 CO -0.04 0.12 -0.62 0.52 -1.07 0.00 0.00 179.97 178.88 2qrw h MET 73 N 0.18 0.23 0.00 0.04 2.86 -1.74 -1.47 114.93 115.03 2qrw h MET 73 Ca 0.15 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2qrw h MET 73 Cb 0.16 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2qrw h MET 73 CO -0.20 0.78 -0.09 0.00 1.06 0.00 0.00 176.91 178.46 2qrw h ARG 74 N 0.17 0.00 -0.02 1.72 3.08 -0.73 -2.71 114.38 115.89 2qrw h ARG 74 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2qrw h ARG 74 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2qrw h ARG 74 CO 0.10 0.09 -0.09 0.72 -1.07 0.00 0.00 179.97 179.72 2qrw n HIS 75 N -3.23 0.00 -0.20 3.04 8.25 0.34 -4.46 115.22 118.96 2qrw n HIS 75 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 2qrw n HIS 75 Cb 0.36 -0.01 0.30 0.00 1.12 0.00 0.00 29.99 31.77 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 4.46 1.59 0.00 -1.41 0.00 -0.93 -1.15 119.26 121.82 2qrw h ALA 76 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qrw h ALA 76 Cb 0.84 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qrw h ALA 76 CO 0.00 0.32 0.00 -2.30 0.00 0.00 0.00 179.25 177.27 2qrw n PRO 77 N -4.46 0.06 -4.75 0.00 -0.02 -1.26 -4.70 135.00 119.87 2qrw n PRO 77 Ca 0.10 0.52 -0.31 0.00 -2.02 0.00 0.00 63.50 61.78 2qrw n PRO 77 Cb 0.15 -1.68 -0.13 0.00 -0.02 0.00 0.00 33.50 31.82 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 -3.21 2.60 -0.73 6.00 0.40 -0.44 -5.07 117.98 117.54 2qrw s PHE 78 Ca 0.00 -0.23 -0.23 0.00 -0.60 0.00 0.00 56.93 55.86 2qrw s PHE 78 Cb 0.04 -1.51 0.06 0.00 0.51 0.00 0.00 43.02 42.11 2qrw s PHE 78 CO 0.12 0.22 1.10 1.03 0.70 0.00 0.00 175.22 178.39 2qrw s ARG 79 N -1.21 3.20 -0.47 0.44 0.52 -1.26 -4.91 118.95 115.26 2qrw s ARG 79 Ca 0.14 -0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 54.44 2qrw s ARG 79 Cb -0.11 -4.35 0.08 0.00 0.52 0.00 0.00 34.95 31.10 2qrw s ARG 79 CO 0.04 -1.93 0.38 0.42 0.02 0.00 0.00 175.30 174.22 2qrw s ILE 80 N 4.47 5.01 0.31 1.52 1.01 -1.26 -4.91 121.20 127.35 2qrw s ILE 80 Ca 0.28 -1.18 0.05 0.00 0.00 0.00 0.00 60.65 59.80 2qrw s ILE 80 Cb -0.12 -4.03 0.05 0.00 0.01 0.00 0.00 42.46 38.37 2qrw s ILE 80 CO 0.09 -0.59 0.38 -1.54 0.00 0.00 0.00 174.94 173.27 2qrw n SER 81 N 5.14 1.33 0.02 3.58 3.41 -1.25 -0.74 113.62 125.12 2qrw n SER 81 Ca -0.12 -1.87 0.13 0.00 -0.26 0.00 0.00 58.87 56.75 2qrw n SER 81 Cb 0.43 -0.18 0.59 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.17 0.08 1.04 3.38 -1.87 -0.83 115.31 117.28 2qrw h LEU 82 Ca -0.16 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2qrw h LEU 82 Cb 0.67 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2qrw h LEU 82 CO 0.23 0.11 -0.13 0.40 0.09 0.00 0.00 178.44 179.13 2qrw h ILE 83 N 0.20 0.69 -0.32 1.22 1.08 -1.94 0.69 117.51 119.12 2qrw h ILE 83 Ca 0.20 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.55 2qrw h ILE 83 Cb 0.54 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2qrw h ILE 83 CO -0.03 0.00 -0.30 -0.33 -0.69 0.00 0.00 178.15 176.80 2qrw h GLU 84 N -0.26 0.68 -0.30 2.37 3.07 -1.77 -1.89 114.58 116.48 2qrw h GLU 84 Ca 0.02 -0.30 0.02 0.00 -0.50 0.00 0.00 59.36 58.60 2qrw h GLU 84 Cb 0.28 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 2qrw h GLU 84 CO -0.08 0.90 0.16 -0.09 -1.40 0.00 0.00 179.01 178.50 2qrw h ARG 85 N 0.58 0.32 -0.29 2.33 2.43 -0.93 -0.81 114.38 118.02 2qrw h ARG 85 Ca 0.07 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2qrw h ARG 85 Cb 0.80 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2qrw h ARG 85 CO 0.07 0.21 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.02 2qrw h ASP 86 N 0.33 0.60 -0.37 -3.80 3.32 -0.76 -1.85 116.42 113.89 2qrw h ASP 86 Ca 0.12 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.80 2qrw h ASP 86 Cb 0.03 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2qrw h ASP 86 CO -0.07 0.86 -0.37 0.00 -1.72 0.00 0.00 179.24 177.94 2qrw h ALA 87 N 1.19 0.61 0.00 3.45 0.00 -1.13 -0.95 119.26 122.44 2qrw h ALA 87 Ca 0.07 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2qrw h ALA 87 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2qrw h ALA 87 CO 0.06 0.68 -0.03 0.35 0.00 0.00 0.00 179.25 180.30 2qrw h PHE 88 N 0.76 -0.08 -0.34 0.00 3.57 -0.95 -1.23 116.94 118.67 2qrw h PHE 88 Ca 0.07 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2qrw h PHE 88 Cb 0.95 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2qrw h PHE 88 CO 0.06 -0.05 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.88 2qrw h LEU 89 N -0.06 0.59 -0.11 0.59 3.38 -1.23 0.13 115.31 118.60 2qrw h LEU 89 Ca 0.01 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2qrw h LEU 89 Cb 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qrw h LEU 89 CO -0.03 0.76 -0.01 -0.09 0.09 0.00 0.00 178.44 179.16 2qrw h ARG 90 N 0.55 0.02 -0.50 1.13 2.43 -0.99 0.35 114.38 117.36 2qrw h ARG 90 Ca 0.09 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2qrw h ARG 90 Cb 0.57 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2qrw h ARG 90 CO 0.04 0.01 0.16 0.00 -1.51 0.00 0.00 179.97 178.67 2qrw h MET 92 N 0.68 0.71 -0.84 0.00 4.05 -0.60 -1.65 114.93 117.28 2qrw h MET 92 Ca 0.16 -0.16 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 2qrw h MET 92 Cb 0.28 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.92 2qrw h MET 92 CO -0.00 0.69 0.54 0.45 0.23 0.00 0.00 176.91 178.81 2qrw h HIS 93 N 0.59 1.01 -0.17 1.39 -0.00 -0.18 0.12 115.15 117.92 2qrw h HIS 93 Ca 0.14 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.54 2qrw h HIS 93 Cb 0.28 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 2qrw h HIS 93 CO 0.01 0.57 0.09 1.15 -0.00 0.00 0.00 177.93 179.76 2qrw h THR 94 N 1.04 1.11 -0.16 2.45 2.02 -1.19 -0.12 112.91 118.06 2qrw h THR 94 Ca 0.34 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2qrw h THR 94 Cb 0.03 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2qrw h THR 94 CO -0.12 0.11 0.10 0.00 0.37 0.00 0.00 175.52 175.97 2qrw h ALA 95 N 0.97 0.20 -0.80 6.16 0.00 -0.91 -2.37 119.26 122.50 2qrw h ALA 95 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qrw h ALA 95 Cb 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2qrw h ALA 95 CO -0.01 -0.32 0.32 0.28 0.00 0.00 0.00 179.25 179.53 2qrw h VAL 96 N 0.21 1.26 0.00 0.00 2.07 -0.68 -2.26 116.25 116.85 2qrw h VAL 96 Ca 0.06 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2qrw h VAL 96 Cb -0.02 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2qrw h VAL 96 CO -0.02 0.34 -0.02 0.00 0.02 0.00 0.00 177.57 177.89 2qrw h ALA 97 N 1.18 1.09 0.00 1.67 0.00 -0.84 -1.86 119.26 120.50 2qrw h ALA 97 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qrw h ALA 97 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qrw h ALA 97 CO -0.02 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 2qrw n SER 98 N -3.24 0.02 -4.74 0.00 3.41 -0.85 -4.73 113.62 103.49 2qrw n SER 98 Ca -0.02 0.50 -0.38 0.00 -0.26 0.00 0.00 58.87 58.72 2qrw n SER 98 Cb 0.17 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 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 -3.00 5.14 0.76 -1.33 -1.09 -0.70 -5.06 121.20 115.91 2qrw s ILE 99 Ca 0.11 0.95 -0.11 0.00 -2.23 0.00 0.00 60.65 59.37 2qrw s ILE 99 Cb 0.15 -3.80 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 2qrw s ILE 99 CO 0.43 0.38 1.08 1.51 -1.23 0.00 0.00 174.94 177.11 2qrw s ASP 100 N 0.26 4.72 0.29 3.58 3.84 -1.26 -4.81 116.67 123.29 2qrw s ASP 100 Ca 0.26 1.65 0.25 0.00 -0.00 0.00 0.00 52.55 54.71 2qrw s ASP 100 Cb -0.16 -2.42 0.72 0.00 -1.38 0.00 0.00 42.92 39.68 2qrw s ASP 100 CO 0.11 -1.87 1.73 0.77 -0.00 0.00 0.00 175.17 175.91 2qrw h SER 101 N -1.02 0.00 -0.22 2.11 4.64 -1.97 -0.32 113.55 116.78 2qrw h SER 101 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 2qrw h SER 101 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2qrw h SER 101 CO 0.55 0.00 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.40 2qrw h GLU 102 N 0.00 0.40 -0.07 4.77 4.81 -1.98 -2.95 114.58 119.56 2qrw h GLU 102 Ca 0.00 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2qrw h GLU 102 Cb 0.77 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2qrw h GLU 102 CO 0.00 0.62 -0.08 1.15 -0.73 0.00 0.00 179.01 179.97 2qrw h THR 103 N 0.15 1.38 -3.41 0.32 2.02 -1.88 -3.40 112.91 108.08 2qrw h THR 103 Ca 0.06 -1.28 -0.63 0.00 0.77 0.00 0.00 66.41 65.33 2qrw h THR 103 Cb 0.45 2.09 -0.40 0.00 -1.74 0.00 0.00 68.15 68.54 2qrw h THR 103 CO 0.02 0.35 -0.70 -0.22 0.37 0.00 0.00 175.52 175.34 2qrw s LEU 104 N -9.12 3.94 0.85 2.58 2.96 -0.15 -4.48 118.68 115.26 2qrw s LEU 104 Ca -0.15 -2.41 -0.12 0.00 -0.22 0.00 0.00 54.13 51.23 2qrw s LEU 104 Cb 0.03 -1.43 0.10 0.00 0.50 0.00 0.00 46.19 45.39 2qrw s LEU 104 CO 0.71 -0.32 1.11 1.51 -1.32 0.00 0.00 176.35 178.04 2qrw s ASP 105 N 0.56 4.06 0.26 3.68 1.47 -1.11 -4.18 116.67 121.41 2qrw s ASP 105 Ca 0.14 1.20 -0.01 0.00 1.18 0.00 0.00 52.55 55.05 2qrw s ASP 105 Cb -0.22 -1.88 0.50 0.00 -0.34 0.00 0.00 42.92 40.98 2qrw s ASP 105 CO -0.07 -2.23 1.80 0.44 0.68 0.00 0.00 175.17 175.79 2qrw h ASP 106 N -1.27 0.69 -0.41 2.11 3.32 -1.98 0.21 116.42 119.08 2qrw h ASP 106 Ca -0.48 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 2qrw h ASP 106 Cb 1.29 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 2qrw h ASP 106 CO 0.60 0.35 0.04 -0.08 -1.72 0.00 0.00 179.24 178.43 2qrw h GLU 107 N 0.78 0.70 -0.32 3.56 4.57 -1.99 -0.97 114.58 120.92 2qrw h GLU 107 Ca 0.45 -0.20 -0.18 0.00 -1.18 0.00 0.00 59.36 58.25 2qrw h GLU 107 Cb 0.52 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2qrw h GLU 107 CO -0.30 0.76 -0.49 0.45 -1.18 0.00 0.00 179.01 178.25 2qrw h HIS 108 N 0.55 1.10 -0.33 0.92 3.86 -1.65 -2.38 115.15 117.22 2qrw h HIS 108 Ca 0.12 -0.37 0.06 0.00 -1.16 0.00 0.00 60.37 59.02 2qrw h HIS 108 Cb 0.42 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 2qrw h HIS 108 CO 0.03 1.20 -0.03 -0.09 0.86 0.00 0.00 177.93 179.90 2qrw h ARG 109 N 0.70 0.06 -0.71 2.45 2.43 -0.56 -1.05 114.38 117.69 2qrw h ARG 109 Ca 0.03 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2qrw h ARG 109 Cb 1.09 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2qrw h ARG 109 CO 0.11 0.04 0.17 -0.09 -1.51 0.00 0.00 179.97 178.69 2qrw h ARG 110 N 0.06 1.14 -0.64 0.20 2.43 -1.12 -1.32 114.38 115.13 2qrw h ARG 110 Ca 0.16 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 2qrw h ARG 110 Cb 0.23 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2qrw h ARG 110 CO -0.29 1.00 0.22 1.49 -1.51 0.00 0.00 179.97 180.89 2qrw h GLU 111 N 1.08 0.98 0.09 0.20 4.81 -1.15 -0.71 114.58 119.87 2qrw h GLU 111 Ca 0.22 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2qrw h GLU 111 Cb 0.38 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2qrw h GLU 111 CO 0.00 0.84 -0.04 1.25 -0.73 0.00 0.00 179.01 180.33 2qrw h LEU 112 N 0.91 -0.10 -0.62 1.64 5.85 -0.92 -2.35 115.31 119.73 2qrw h LEU 112 Ca 0.21 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2qrw h LEU 112 Cb 0.26 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2qrw h LEU 112 CO -0.01 0.09 0.38 -0.07 -0.34 0.00 0.00 178.44 178.50 2qrw h LEU 113 N -0.30 0.63 -0.90 2.25 4.07 -1.21 -1.02 115.31 118.83 2qrw h LEU 113 Ca -0.01 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2qrw h LEU 113 Cb 0.25 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 2qrw h LEU 113 CO 0.02 0.44 0.55 0.44 -1.08 0.00 0.00 178.44 178.81 2qrw h ASP 114 N 0.76 1.08 0.04 -0.43 3.32 -1.11 0.63 116.42 120.71 2qrw h ASP 114 Ca 0.25 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2qrw h ASP 114 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 2qrw h ASP 114 CO -0.09 0.82 -0.02 0.22 -1.72 0.00 0.00 179.24 178.45 2qrw h TYR 115 N 1.24 -0.05 -0.63 4.55 5.03 -1.04 -1.80 116.97 124.27 2qrw h TYR 115 Ca 0.32 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.63 2qrw h TYR 115 Cb -0.06 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.21 2qrw h TYR 115 CO 0.00 0.08 0.40 -0.07 -1.32 0.00 0.00 178.16 177.25 2qrw h LEU 116 N -0.17 0.73 -0.08 2.82 3.38 -0.83 0.11 115.31 121.27 2qrw h LEU 116 Ca -0.01 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2qrw h LEU 116 Cb 0.15 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2qrw h LEU 116 CO 0.01 0.55 -0.12 -0.33 0.09 0.00 0.00 178.44 178.64 2qrw h GLU 117 N 0.85 -0.16 -0.45 1.13 5.08 -0.83 -0.43 114.58 119.76 2qrw h GLU 117 Ca 0.23 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2qrw h GLU 117 Cb -0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2qrw h GLU 117 CO -0.05 -0.11 0.10 1.98 -1.00 0.00 0.00 179.01 179.94 2qrw h MET 118 N -0.17 0.72 -0.49 2.33 4.05 -0.96 -2.25 114.93 118.17 2qrw h MET 118 Ca 0.07 -0.18 -0.11 0.00 -0.28 0.00 0.00 59.70 59.21 2qrw h MET 118 Cb 0.27 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2qrw h MET 118 CO -0.18 0.73 -0.11 0.00 0.23 0.00 0.00 176.91 177.57 2qrw h ALA 119 N 0.97 0.68 -0.57 0.39 0.00 -0.67 -1.66 119.26 118.39 2qrw h ALA 119 Ca 0.14 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2qrw h ALA 119 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qrw h ALA 119 CO 0.00 0.58 0.15 0.00 0.00 0.00 0.00 179.25 179.99 2qrw h ALA 120 N 0.89 0.75 -0.99 0.00 0.00 -1.02 -2.07 119.26 116.82 2qrw h ALA 120 Ca 0.13 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qrw h ALA 120 Cb 0.67 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2qrw h ALA 120 CO 0.05 0.44 0.66 1.25 0.00 0.00 0.00 179.25 181.65 2qrw h HIS 121 N 0.81 1.25 0.00 0.00 6.17 -1.25 -2.16 115.15 119.96 2qrw h HIS 121 Ca 0.18 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.29 2qrw h HIS 121 Cb 0.33 -0.42 0.00 0.00 2.52 0.00 0.00 27.41 29.84 2qrw h HIS 121 CO 0.02 0.78 0.00 0.66 0.71 0.00 0.00 177.93 180.10 2qrw h SER 122 N 1.34 0.00 0.02 3.26 4.64 -0.62 -2.75 113.55 119.44 2qrw h SER 122 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2qrw h SER 122 Cb -0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2qrw h SER 122 CO -0.08 0.00 -0.22 0.18 -0.87 0.00 0.00 176.83 175.84 2qrw n LEU 123 N -2.32 2.13 -4.71 5.97 4.77 -0.82 -4.90 117.00 117.12 2qrw n LEU 123 Ca 0.01 -0.73 -0.42 0.00 -0.03 0.00 0.00 56.01 54.85 2qrw n LEU 123 Cb 0.20 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2qrw n LEU 123 CO 0.19 0.37 1.41 -0.69 -1.33 0.00 0.00 177.39 177.34 2qrw s VAL 124 N -2.26 2.31 0.00 4.08 1.01 -1.04 -4.78 120.40 119.72 2qrw s VAL 124 Ca 0.25 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2qrw s VAL 124 Cb 0.19 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2qrw s VAL 124 CO 0.44 0.00 0.44 -0.46 0.00 0.00 0.00 175.10 175.52 2qrw n ASN 125 N 4.76 0.27 -3.73 3.32 2.04 0.08 -5.03 115.26 116.97 2qrw n ASN 125 Ca 0.17 -1.11 -0.14 0.00 -0.44 0.00 0.00 54.58 53.06 2qrw n ASN 125 Cb 0.37 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.54 2qrw n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2qrw s SER 126 N -0.11 -0.24 0.42 0.53 0.15 -0.89 -4.83 113.70 108.73 2qrw s SER 126 Ca 0.00 0.12 0.23 0.00 0.70 0.00 0.00 55.95 57.00 2qrw s SER 126 Cb 0.00 0.35 0.59 0.00 -1.71 0.00 0.00 66.02 65.25 2qrw s SER 126 CO 0.00 -0.49 1.69 1.55 1.20 0.00 0.00 173.24 177.19 2qrw h PRO 127 N 3.66 0.00 0.00 5.44 0.13 -1.98 -3.33 132.00 135.92 2qrw h PRO 127 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2qrw h PRO 127 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qrw h PRO 127 CO 0.41 0.17 0.00 1.97 -0.23 0.00 0.00 178.00 180.32