#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrw s SER 4 N 0.00 4.59 0.18 3.14 1.04 -1.26 -4.84 113.70 116.55 2qrw s SER 4 Ca 0.00 2.05 -0.13 0.00 0.48 0.00 0.00 55.95 58.36 2qrw s SER 4 Cb 0.00 -2.55 0.14 0.00 0.10 0.00 0.00 66.02 63.71 2qrw s SER 4 CO 0.00 -1.99 1.80 0.15 0.98 0.00 0.00 173.24 174.18 2qrw h PHE 5 N -0.46 0.54 -0.22 5.02 3.57 -1.93 0.10 116.94 123.56 2qrw h PHE 5 Ca -0.46 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.11 2qrw h PHE 5 Cb 1.26 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.76 2qrw h PHE 5 CO 0.53 0.28 -0.43 -0.92 -2.23 0.00 0.00 178.31 175.54 2qrw h TYR 6 N 0.57 -1.25 -0.52 0.41 3.20 -1.66 -1.60 116.97 116.11 2qrw h TYR 6 Ca 0.23 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2qrw h TYR 6 Cb 0.11 0.58 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2qrw h TYR 6 CO -0.09 -0.47 0.27 -0.44 -1.64 0.00 0.00 178.16 175.80 2qrw h ASP 7 N -0.44 0.67 -0.33 -2.11 3.32 -1.74 0.13 116.42 115.91 2qrw h ASP 7 Ca 0.09 -0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.12 2qrw h ASP 7 Cb 0.62 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2qrw h ASP 7 CO -0.46 0.58 0.23 0.00 -1.72 0.00 0.00 179.24 177.88 2qrw h ALA 8 N 1.11 2.21 -0.47 3.45 0.00 -0.21 -2.41 119.26 122.95 2qrw h ALA 8 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qrw h ALA 8 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qrw h ALA 8 CO -0.03 -0.30 0.00 1.33 0.00 0.00 0.00 179.25 180.25 2qrw n VAL 9 N -4.46 0.62 0.00 0.00 0.24 -0.66 -4.91 118.33 109.16 2qrw n VAL 9 Ca 0.04 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2qrw n VAL 9 Cb 0.35 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 1.53 0.95 7.00 7.63 0.00 -0.90 -4.64 105.19 116.75 2qrw n GLY 10 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.65 3.02 0.27 -0.02 0.00 0.43 -3.55 105.19 103.67 2qrw n GLY 11 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.92 0.98 -0.91 4.61 0.00 -1.96 -1.48 119.26 119.58 2qrw h ALA 12 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2qrw h ALA 12 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2qrw h ALA 12 CO 0.00 -0.06 0.59 0.87 0.00 0.00 0.00 179.25 180.64 2qrw h LYS 13 N 0.59 1.10 -0.05 0.00 1.57 -1.97 0.85 116.57 118.65 2qrw h LYS 13 Ca 0.35 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2qrw h LYS 13 Cb 0.38 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2qrw h LYS 13 CO -0.28 0.72 -0.11 1.15 -0.57 0.00 0.00 179.45 180.36 2qrw h THR 14 N 1.13 1.43 -0.49 -0.16 2.02 -1.38 -1.26 112.91 114.20 2qrw h THR 14 Ca 0.37 -1.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.04 2qrw h THR 14 Cb 0.02 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2qrw h THR 14 CO -0.13 0.40 0.05 -0.26 0.37 0.00 0.00 175.52 175.95 2qrw h PHE 15 N -0.34 0.82 -0.30 3.16 0.04 -1.24 -0.26 116.94 118.81 2qrw h PHE 15 Ca 0.00 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2qrw h PHE 15 Cb 0.70 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2qrw h PHE 15 CO 0.12 0.73 0.20 0.22 -0.60 0.00 0.00 178.31 178.97 2qrw h ASP 16 N 0.74 0.33 0.05 2.17 -0.00 -0.82 -1.21 116.42 117.69 2qrw h ASP 16 Ca 0.15 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.17 2qrw h ASP 16 Cb 0.38 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.63 2qrw h ASP 16 CO 0.01 0.24 -0.02 0.00 -0.00 0.00 0.00 179.24 179.47 2qrw h ALA 17 N 1.12 -0.06 0.54 -0.78 0.00 -0.70 0.52 119.26 119.89 2qrw h ALA 17 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2qrw h ALA 17 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qrw h ALA 17 CO -0.03 -0.52 -0.35 0.82 0.00 0.00 0.00 179.25 179.17 2qrw h ILE 18 N -0.10 0.28 -0.28 0.00 2.04 -1.00 -2.09 117.51 116.35 2qrw h ILE 18 Ca -0.01 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 2qrw h ILE 18 Cb 0.08 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2qrw h ILE 18 CO 0.01 0.00 -0.31 0.58 0.00 0.00 0.00 178.15 178.44 2qrw h VAL 19 N -0.86 1.28 -0.61 1.67 2.07 -1.19 0.71 116.25 119.32 2qrw h VAL 19 Ca -0.06 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 2qrw h VAL 19 Cb 0.71 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2qrw h VAL 19 CO 0.05 0.45 0.19 0.77 0.02 0.00 0.00 177.57 179.05 2qrw h SER 20 N 0.50 0.90 -0.16 0.57 4.64 -0.91 -0.19 113.55 118.90 2qrw h SER 20 Ca 0.06 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.06 2qrw h SER 20 Cb 0.78 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2qrw h SER 20 CO 0.06 0.87 -0.28 0.03 -0.87 0.00 0.00 176.83 176.64 2qrw h ARG 21 N 0.88 0.63 0.06 4.77 3.08 -1.14 -0.55 114.38 122.11 2qrw h ARG 21 Ca 0.20 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2qrw h ARG 21 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2qrw h ARG 21 CO -0.01 0.84 -0.03 0.35 -1.07 0.00 0.00 179.97 180.06 2qrw h PHE 22 N 0.55 -0.07 0.00 3.04 3.57 -0.62 -2.81 116.94 120.60 2qrw h PHE 22 Ca 0.07 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2qrw h PHE 22 Cb 0.76 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2qrw h PHE 22 CO 0.03 -0.03 -0.36 1.88 -2.23 0.00 0.00 178.31 177.60 2qrw h TYR 23 N -0.09 0.00 -0.91 0.41 0.05 -0.87 -1.59 116.97 113.96 2qrw h TYR 23 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2qrw h TYR 23 Cb 0.07 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 2qrw h TYR 23 CO -0.07 0.36 0.54 0.00 -1.05 0.00 0.00 178.16 177.94 2qrw h ALA 24 N 1.64 1.24 -0.08 3.88 0.00 -0.98 -2.33 119.26 122.63 2qrw h ALA 24 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2qrw h ALA 24 Cb 0.71 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qrw h ALA 24 CO 0.05 0.65 -0.14 1.96 0.00 0.00 0.00 179.25 181.77 2qrw h GLN 25 N 1.26 0.23 -0.96 0.00 4.20 -1.14 -3.14 115.11 115.57 2qrw h GLN 25 Ca 0.33 -0.15 0.23 0.00 0.06 0.00 0.00 58.65 59.12 2qrw h GLN 25 Cb -0.04 0.02 -0.18 0.00 0.30 0.00 0.00 27.48 27.58 2qrw h GLN 25 CO -0.06 0.73 -0.08 0.28 -0.67 0.00 0.00 178.83 179.02 2qrw h VAL 26 N -0.23 0.05 -0.57 -0.54 2.07 -1.10 1.02 116.25 116.95 2qrw h VAL 26 Ca 0.00 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2qrw h VAL 26 Cb 0.71 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2qrw h VAL 26 CO 0.03 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.01 2qrw h ALA 27 N 1.95 2.16 -0.38 1.67 0.00 -1.37 -0.87 119.26 122.42 2qrw h ALA 27 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2qrw h ALA 27 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qrw h ALA 27 CO -0.93 -0.30 0.00 0.39 0.00 0.00 0.00 179.25 178.41 2qrw n GLU 28 N -4.45 2.50 -3.41 0.00 -0.58 0.34 -4.85 120.64 110.18 2qrw n GLU 28 Ca 0.10 -2.28 -0.41 0.00 -0.42 0.00 0.00 57.16 54.15 2qrw n GLU 28 Cb 0.44 -1.51 -0.09 0.00 -0.57 0.00 0.00 31.44 29.71 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 -1.49 6.18 0.19 1.62 2.15 -0.28 -4.97 116.67 120.07 2qrw s ASP 29 Ca 0.38 -0.21 -0.13 0.00 0.43 0.00 0.00 52.55 53.02 2qrw s ASP 29 Cb 0.23 -2.20 0.21 0.00 -0.30 0.00 0.00 42.92 40.86 2qrw s ASP 29 CO 0.31 -0.33 1.68 -0.33 -0.17 0.00 0.00 175.17 176.34 2qrw h GLU 30 N 8.45 0.11 -0.04 4.34 5.08 -1.91 0.13 114.58 130.73 2qrw h GLU 30 Ca -0.30 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2qrw h GLU 30 Cb 1.15 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 2qrw h GLU 30 CO 0.69 0.07 0.01 0.28 -1.00 0.00 0.00 179.01 179.06 2qrw h VAL 31 N 0.11 1.18 -0.08 3.13 2.07 -1.94 -3.15 116.25 117.58 2qrw h VAL 31 Ca 0.26 -0.55 -0.23 0.00 0.82 0.00 0.00 66.70 67.00 2qrw h VAL 31 Cb 0.40 1.48 0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2qrw h VAL 31 CO -0.44 0.15 -0.85 -0.07 0.02 0.00 0.00 177.57 176.37 2qrw h LEU 32 N -0.14 0.77 -2.25 2.57 4.07 -1.74 -2.97 115.31 115.61 2qrw h LEU 32 Ca 0.01 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 57.42 2qrw h LEU 32 Cb 0.23 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 2qrw h LEU 32 CO 0.00 1.33 -0.03 0.08 -1.08 0.00 0.00 178.44 178.75 2qrw h ARG 33 N 0.40 0.00 0.00 1.13 0.11 -0.83 -1.40 114.38 113.80 2qrw h ARG 33 Ca -0.07 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.89 2qrw h ARG 33 Cb 1.48 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.54 2qrw h ARG 33 CO 0.16 0.03 -0.56 0.00 0.10 0.00 0.00 179.97 179.70 2qrw h ARG 34 N 0.00 0.00 0.02 0.08 3.08 -1.47 -3.36 114.38 112.73 2qrw h ARG 34 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.68 2qrw h ARG 34 Cb 0.06 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 2qrw h ARG 34 CO 0.00 0.56 -2.26 1.55 -1.07 0.00 0.00 179.97 178.75 2qrw n VAL 35 N -3.78 1.51 -2.13 2.04 3.14 -0.65 -4.87 118.33 113.60 2qrw n VAL 35 Ca -0.01 -0.72 -0.42 0.00 -2.96 0.00 0.00 64.34 60.23 2qrw n VAL 35 Cb 0.58 -1.06 -0.03 0.00 -1.06 0.00 0.00 33.84 32.27 2qrw n VAL 35 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2qrw s TYR 36 N -2.53 3.07 -0.03 1.45 1.51 -0.62 -4.95 117.35 115.25 2qrw s TYR 36 Ca -0.20 0.83 -0.19 0.00 -1.01 0.00 0.00 57.07 56.50 2qrw s TYR 36 Cb 0.07 -3.73 -0.11 0.00 -0.11 0.00 0.00 41.96 38.08 2qrw s TYR 36 CO 0.74 -2.66 0.79 -1.00 -1.11 0.00 0.00 175.55 172.30 2qrw h PRO 37 N 7.15 -0.55 -6.96 -1.71 0.13 -1.89 -3.47 132.00 124.70 2qrw h PRO 37 Ca -0.41 0.04 -0.50 0.00 -0.87 0.00 0.00 66.00 64.26 2qrw h PRO 37 Cb 1.20 0.12 0.04 0.00 0.13 0.00 0.00 31.00 32.50 2qrw h PRO 37 CO 0.88 -0.31 0.46 -1.21 -0.23 0.00 0.00 178.00 177.60 2qrw s GLU 38 N -3.67 4.05 0.36 0.86 0.41 -1.26 -4.92 118.70 114.53 2qrw s GLU 38 Ca -0.10 1.70 0.14 0.00 -0.41 0.00 0.00 54.97 56.30 2qrw s GLU 38 Cb 0.01 -2.58 0.69 0.00 -1.78 0.00 0.00 34.13 30.47 2qrw s GLU 38 CO 0.32 -0.29 1.79 -0.44 -0.49 0.00 0.00 175.26 176.16 2qrw h ASP 39 N 2.49 0.00 -3.60 -0.19 5.19 -1.99 -3.37 116.42 114.96 2qrw h ASP 39 Ca -0.49 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.25 2qrw h ASP 39 Cb 1.23 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.56 2qrw h ASP 39 CO 0.62 0.40 -0.23 -0.62 -3.12 0.00 0.00 179.24 176.29 2qrw s ASP 40 N -6.82 6.20 0.00 6.45 2.15 -1.26 -4.94 116.67 118.45 2qrw s ASP 40 Ca -0.02 -0.44 0.11 0.00 0.43 0.00 0.00 52.55 52.63 2qrw s ASP 40 Cb 0.14 -2.22 0.34 0.00 -0.30 0.00 0.00 42.92 40.88 2qrw s ASP 40 CO 0.72 -0.47 1.28 0.18 -0.17 0.00 0.00 175.17 176.71 2qrw n LEU 41 N 5.52 1.78 -0.09 -1.34 4.77 -1.26 -4.34 117.00 122.04 2qrw n LEU 41 Ca -0.08 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 54.92 2qrw n LEU 41 Cb 0.48 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2qrw n LEU 41 CO 0.44 0.44 0.90 0.00 -1.33 0.00 0.00 177.39 177.84 2qrw h ALA 42 N 3.65 0.36 -0.76 -1.18 0.00 -1.94 -1.34 119.26 118.05 2qrw h ALA 42 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2qrw h ALA 42 Cb 0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2qrw h ALA 42 CO 0.00 -0.06 0.37 0.78 0.00 0.00 0.00 179.25 180.33 2qrw h GLY 43 N 0.31 1.17 1.05 0.00 0.00 -2.01 -1.77 103.07 101.83 2qrw h GLY 43 Ca 0.10 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 2qrw h GLY 43 CO -0.01 0.55 0.21 0.00 0.00 0.00 0.00 176.54 177.29 2qrw h ALA 44 N 1.19 0.94 0.27 3.60 0.00 -1.80 -1.60 119.26 121.86 2qrw h ALA 44 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qrw h ALA 44 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qrw h ALA 44 CO -0.03 0.64 -0.15 1.49 0.00 0.00 0.00 179.25 181.20 2qrw h GLU 45 N 1.07 -0.38 -0.65 0.00 4.81 -1.04 -1.89 114.58 116.50 2qrw h GLU 45 Ca 0.23 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.59 2qrw h GLU 45 Cb 0.32 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 2qrw h GLU 45 CO -0.01 -0.25 0.25 0.93 -0.73 0.00 0.00 179.01 179.21 2qrw h GLU 46 N -0.39 0.42 -0.24 1.92 5.08 -1.14 -0.72 114.58 119.50 2qrw h GLU 46 Ca -0.03 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2qrw h GLU 46 Cb 0.31 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2qrw h GLU 46 CO 0.05 0.28 -0.23 0.00 -1.00 0.00 0.00 179.01 178.10 2qrw h ARG 47 N 0.43 0.59 -0.54 2.33 3.08 -1.19 -0.26 114.38 118.83 2qrw h ARG 47 Ca 0.33 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2qrw h ARG 47 Cb 0.43 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2qrw h ARG 47 CO -0.33 0.90 0.23 1.25 -1.07 0.00 0.00 179.97 180.95 2qrw h LEU 48 N 0.30 0.73 -0.24 3.04 5.85 -1.25 0.21 115.31 123.94 2qrw h LEU 48 Ca 0.04 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2qrw h LEU 48 Cb 0.79 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2qrw h LEU 48 CO 0.06 0.69 0.16 -0.09 -0.34 0.00 0.00 178.44 178.91 2qrw h ARG 49 N 0.73 0.32 -0.75 1.25 2.43 -1.02 -1.39 114.38 115.95 2qrw h ARG 49 Ca 0.18 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2qrw h ARG 49 Cb 0.17 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 2qrw h ARG 49 CO -0.02 0.22 0.41 0.52 -1.51 0.00 0.00 179.97 179.59 2qrw h MET 50 N 0.32 1.04 -0.13 0.20 2.86 -0.87 -0.12 114.93 118.23 2qrw h MET 50 Ca 0.09 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2qrw h MET 50 Cb -0.03 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 2qrw h MET 50 CO -0.02 0.77 0.06 0.35 1.06 0.00 0.00 176.91 179.13 2qrw h PHE 51 N 1.03 0.19 -0.75 -0.22 3.57 -0.70 -1.61 116.94 118.46 2qrw h PHE 51 Ca 0.26 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2qrw h PHE 51 Cb 0.03 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2qrw h PHE 51 CO -0.00 0.26 0.38 -0.07 -2.23 0.00 0.00 178.31 176.64 2qrw h LEU 52 N 0.07 0.96 -0.66 0.59 3.38 -0.96 0.22 115.31 118.92 2qrw h LEU 52 Ca 0.04 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2qrw h LEU 52 Cb 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2qrw h LEU 52 CO -0.00 0.81 0.41 -0.33 0.09 0.00 0.00 178.44 179.42 2qrw h GLU 53 N 1.04 0.79 -0.25 1.13 5.08 -0.87 -1.65 114.58 119.86 2qrw h GLU 53 Ca 0.26 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 2qrw h GLU 53 Cb 0.09 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2qrw h GLU 53 CO -0.04 0.53 -0.36 0.37 -1.00 0.00 0.00 179.01 178.51 2qrw h GLN 54 N 0.82 0.68 -0.82 2.33 4.15 -0.79 0.46 115.11 121.94 2qrw h GLN 54 Ca 0.26 -0.40 0.11 0.00 0.77 0.00 0.00 58.65 59.39 2qrw h GLN 54 Cb -0.01 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.64 2qrw h GLN 54 CO -0.09 1.01 0.44 -0.92 -1.93 0.00 0.00 178.83 177.34 2qrw h TYR 55 N 0.39 0.79 -0.26 3.99 5.03 -0.29 -1.24 116.97 125.38 2qrw h TYR 55 Ca 0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2qrw h TYR 55 Cb 0.94 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.99 2qrw h TYR 55 CO 0.08 0.28 0.00 0.91 -1.32 0.00 0.00 178.16 178.11 2qrw n TRP 56 N -4.80 0.34 0.00 -3.82 7.02 -0.65 -4.88 117.44 110.66 2qrw n TRP 56 Ca 0.14 -0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 2qrw n TRP 56 Cb 0.33 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 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 1.03 1.10 0.00 6.99 0.00 -0.47 -1.70 105.19 112.14 2qrw n GLY 57 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.65 1.02 3.72 -0.02 0.00 0.16 -4.85 105.19 103.58 2qrw n GLY 58 Ca 0.00 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 2qrw n GLY 58 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qrw s PRO 59 N 0.72 2.17 -0.27 1.61 0.02 -1.26 -4.65 135.00 133.33 2qrw s PRO 59 Ca 0.00 1.96 0.06 0.00 0.02 0.00 0.00 61.00 63.03 2qrw s PRO 59 Cb 0.00 -1.81 0.53 0.00 0.02 0.00 0.00 34.50 33.24 2qrw s PRO 59 CO 0.00 -1.87 1.58 0.54 -0.33 0.00 0.00 177.00 176.93 2qrw n ARG 60 N -2.47 2.61 -0.09 5.54 1.74 -1.26 -3.62 116.66 119.11 2qrw n ARG 60 Ca 0.15 -2.25 0.06 0.00 -0.77 0.00 0.00 57.85 55.04 2qrw n ARG 60 Cb 0.49 -1.94 0.39 0.00 -1.02 0.00 0.00 32.46 30.39 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 1.52 1.06 0.34 0.55 2.02 -1.91 -2.42 112.91 114.08 2qrw h THR 61 Ca 0.30 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2qrw h THR 61 Cb 2.10 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 2qrw h THR 61 CO 0.65 0.12 -0.37 0.22 0.37 0.00 0.00 175.52 176.51 2qrw h TYR 62 N 0.65 -1.02 -0.07 3.16 3.20 -1.80 -1.65 116.97 119.45 2qrw h TYR 62 Ca 0.23 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 2qrw h TYR 62 Cb 0.12 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2qrw h TYR 62 CO -0.00 -0.52 -0.42 0.66 -1.64 0.00 0.00 178.16 176.25 2qrw h SER 63 N -0.75 0.15 -0.48 -2.11 4.64 -1.71 0.54 113.55 113.83 2qrw h SER 63 Ca -0.02 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2qrw h SER 63 Cb 0.68 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 2qrw h SER 63 CO -0.08 0.56 0.29 -0.33 -0.87 0.00 0.00 176.83 176.40 2qrw h GLU 64 N 0.12 0.67 0.00 4.77 5.08 -1.23 0.17 114.58 124.17 2qrw h GLU 64 Ca 0.01 -0.06 -0.32 0.00 -1.00 0.00 0.00 59.36 58.00 2qrw h GLU 64 Cb 0.79 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2qrw h GLU 64 CO 0.06 0.48 -2.17 1.04 -1.00 0.00 0.00 179.01 177.42 2qrw n GLN 65 N -4.43 0.67 -0.00 2.33 6.02 -0.64 -4.64 117.38 116.69 2qrw n GLN 65 Ca 0.04 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.13 2qrw n GLN 65 Cb 0.08 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 29.69 2qrw n GLN 65 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2qrw n ARG 66 N -2.79 1.06 0.00 -1.09 5.12 0.19 -5.10 116.66 114.05 2qrw n ARG 66 Ca -0.26 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.60 2qrw n ARG 66 Cb 1.08 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 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 1.87 -1.81 3.72 -0.13 0.00 0.60 -4.90 105.19 104.54 2qrw n GLY 67 Ca -0.01 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 2qrw n GLY 67 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qrw n HIS 68 N 0.00 2.55 -1.89 1.61 -0.00 -1.26 -4.27 115.22 111.95 2qrw n HIS 68 Ca 0.00 0.38 -0.42 0.00 -0.00 0.00 0.00 57.72 57.67 2qrw n HIS 68 Cb 0.00 -2.52 -0.03 0.00 -0.00 0.00 0.00 29.99 27.44 2qrw n HIS 68 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2qrw s PRO 69 N -0.84 4.02 -0.59 1.57 0.02 -1.26 -4.93 135.00 132.99 2qrw s PRO 69 Ca 0.63 2.21 0.06 0.00 0.02 0.00 0.00 61.00 63.92 2qrw s PRO 69 Cb -0.56 -4.08 0.28 0.00 0.02 0.00 0.00 34.50 30.17 2qrw s PRO 69 CO 0.52 -1.06 0.79 0.54 -0.33 0.00 0.00 177.00 177.46 2qrw n ARG 70 N 7.48 2.51 0.01 5.54 5.12 -1.26 -4.97 116.66 131.09 2qrw n ARG 70 Ca 0.19 -4.54 -0.10 0.00 -1.93 0.00 0.00 57.85 51.47 2qrw n ARG 70 Cb 0.43 -2.13 0.04 0.00 -1.16 0.00 0.00 32.46 29.64 2qrw n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2qrw h LEU 71 N 3.74 0.61 -0.29 0.55 3.38 -1.99 -0.89 115.31 120.43 2qrw h LEU 71 Ca 0.16 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2qrw h LEU 71 Cb 0.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2qrw h LEU 71 CO 0.78 1.07 0.18 -0.09 0.09 0.00 0.00 178.44 180.47 2qrw h ARG 72 N 0.40 0.39 -0.32 1.13 2.43 -1.96 -2.06 114.38 114.38 2qrw h ARG 72 Ca -0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 2qrw h ARG 72 Cb 1.16 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2qrw h ARG 72 CO 0.11 0.29 -0.28 1.98 -1.51 0.00 0.00 179.97 180.56 2qrw h MET 73 N 0.38 0.66 0.00 0.20 4.05 -1.81 -0.93 114.93 117.47 2qrw h MET 73 Ca 0.10 -0.28 -0.07 0.00 -0.28 0.00 0.00 59.70 59.17 2qrw h MET 73 Cb -0.01 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2qrw h MET 73 CO -0.02 0.87 -0.34 0.00 0.23 0.00 0.00 176.91 177.64 2qrw h ARG 74 N 0.57 0.00 0.00 0.39 2.47 -1.09 -2.54 114.38 114.18 2qrw h ARG 74 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2qrw h ARG 74 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2qrw h ARG 74 CO 0.06 0.34 -0.54 0.72 0.56 0.00 0.00 179.97 181.12 2qrw n HIS 75 N -3.71 0.29 -0.06 3.04 8.25 -0.79 -4.36 115.22 117.87 2qrw n HIS 75 Ca -0.01 0.08 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 2qrw n HIS 75 Cb 0.44 -0.48 0.47 0.00 1.12 0.00 0.00 29.99 31.54 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 2.74 1.90 0.00 -1.41 0.00 -0.72 -0.81 119.26 120.96 2qrw h ALA 76 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qrw h ALA 76 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qrw h ALA 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 179.25 177.90 2qrw h PRO 77 N 0.48 0.00 -6.33 0.00 0.11 -1.76 -3.44 132.00 121.06 2qrw h PRO 77 Ca 0.24 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.68 2qrw h PRO 77 Cb 0.34 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.29 2qrw h PRO 77 CO -0.07 0.00 -0.69 -0.06 -0.21 0.00 0.00 178.00 176.97 2qrw s PHE 78 N -3.82 2.91 -0.73 0.65 0.40 -0.31 -5.06 117.98 112.02 2qrw s PHE 78 Ca -0.03 -0.04 -0.21 0.00 -0.60 0.00 0.00 56.93 56.05 2qrw s PHE 78 Cb 0.10 -1.57 0.09 0.00 0.51 0.00 0.00 43.02 42.15 2qrw s PHE 78 CO 0.33 0.42 0.98 1.03 0.70 0.00 0.00 175.22 178.68 2qrw s ARG 79 N -1.80 3.24 -0.69 0.44 0.52 -1.26 -4.91 118.95 114.49 2qrw s ARG 79 Ca 0.20 -1.17 -0.16 0.00 -0.52 0.00 0.00 55.73 54.08 2qrw s ARG 79 Cb -0.11 -4.44 0.16 0.00 0.52 0.00 0.00 34.95 31.08 2qrw s ARG 79 CO 0.12 -1.77 0.68 0.42 0.02 0.00 0.00 175.30 174.77 2qrw s ILE 80 N 3.48 5.29 0.54 1.52 1.01 -1.26 -4.90 121.20 126.87 2qrw s ILE 80 Ca 0.24 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 59.06 2qrw s ILE 80 Cb -0.14 -4.44 0.11 0.00 0.01 0.00 0.00 42.46 37.99 2qrw s ILE 80 CO 0.04 -1.02 0.74 -1.54 0.00 0.00 0.00 174.94 173.17 2qrw n SER 81 N 4.97 1.06 -0.10 3.58 3.41 -1.26 -1.43 113.62 123.85 2qrw n SER 81 Ca 0.01 -1.88 0.14 0.00 -0.26 0.00 0.00 58.87 56.88 2qrw n SER 81 Cb 0.44 -0.48 0.52 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.33 -0.29 1.04 3.38 -1.89 -1.37 115.31 116.51 2qrw h LEU 82 Ca -0.25 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2qrw h LEU 82 Cb 0.92 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2qrw h LEU 82 CO 0.27 0.19 0.14 0.40 0.09 0.00 0.00 178.44 179.53 2qrw h ILE 83 N 0.36 1.15 -0.55 1.22 2.04 -1.95 0.21 117.51 119.99 2qrw h ILE 83 Ca 0.30 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2qrw h ILE 83 Cb 0.69 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2qrw h ILE 83 CO -0.08 0.16 0.08 -0.33 0.00 0.00 0.00 178.15 177.97 2qrw h GLU 84 N 0.33 0.93 -0.25 2.37 3.07 -1.74 -1.42 114.58 117.87 2qrw h GLU 84 Ca 0.10 -0.26 0.04 0.00 -0.50 0.00 0.00 59.36 58.74 2qrw h GLU 84 Cb 0.12 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 2qrw h GLU 84 CO -0.01 0.90 0.02 -0.09 -1.40 0.00 0.00 179.01 178.42 2qrw h ARG 85 N 0.82 0.10 -0.57 2.33 2.43 -1.05 0.19 114.38 118.61 2qrw h ARG 85 Ca 0.17 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2qrw h ARG 85 Cb 0.43 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2qrw h ARG 85 CO 0.01 0.06 0.11 -0.44 -1.51 0.00 0.00 179.97 178.21 2qrw h ASP 86 N 0.10 0.90 -0.53 -3.80 3.32 -0.81 -0.74 116.42 114.85 2qrw h ASP 86 Ca 0.12 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2qrw h ASP 86 Cb 0.14 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2qrw h ASP 86 CO -0.18 0.92 0.31 0.00 -1.72 0.00 0.00 179.24 178.56 2qrw h ALA 87 N 1.01 0.68 -0.14 3.45 0.00 -1.03 0.46 119.26 123.68 2qrw h ALA 87 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2qrw h ALA 87 Cb 0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2qrw h ALA 87 CO 0.01 0.19 -0.07 0.35 0.00 0.00 0.00 179.25 179.73 2qrw h PHE 88 N 0.72 -0.16 -0.74 0.00 3.57 -0.68 -2.06 116.94 117.58 2qrw h PHE 88 Ca 0.19 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2qrw h PHE 88 Cb 0.02 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2qrw h PHE 88 CO -0.02 -0.11 0.28 -0.07 -2.23 0.00 0.00 178.31 176.16 2qrw h LEU 89 N -0.06 1.03 -0.15 0.59 3.38 -0.84 0.67 115.31 119.93 2qrw h LEU 89 Ca 0.08 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2qrw h LEU 89 Cb 0.17 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qrw h LEU 89 CO -0.18 0.92 0.05 0.03 0.09 0.00 0.00 178.44 179.35 2qrw h ARG 90 N 1.08 0.11 -0.50 1.13 3.08 -0.69 0.16 114.38 118.75 2qrw h ARG 90 Ca 0.25 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 2qrw h ARG 90 Cb 0.23 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2qrw h ARG 90 CO -0.02 0.08 0.03 0.00 -1.07 0.00 0.00 179.97 178.99 2qrw h MET 92 N 0.77 0.90 -0.69 0.00 1.85 -0.54 -1.67 114.93 115.55 2qrw h MET 92 Ca 0.15 -0.51 -0.04 0.00 -0.61 0.00 0.00 59.70 58.70 2qrw h MET 92 Cb 0.42 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.45 2qrw h MET 92 CO 0.01 1.15 0.27 0.45 -0.40 0.00 0.00 176.91 178.40 2qrw h HIS 93 N 0.71 1.06 -0.56 1.39 -0.00 -0.46 -1.14 115.15 116.15 2qrw h HIS 93 Ca 0.05 -0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2qrw h HIS 93 Cb 1.02 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 28.08 2qrw h HIS 93 CO 0.07 0.83 0.35 1.15 -0.00 0.00 0.00 177.93 180.33 2qrw h THR 94 N 0.99 1.10 -0.45 2.45 2.02 -1.12 -0.58 112.91 117.33 2qrw h THR 94 Ca 0.23 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2qrw h THR 94 Cb 0.22 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2qrw h THR 94 CO -0.02 0.13 0.26 0.00 0.37 0.00 0.00 175.52 176.26 2qrw h ALA 95 N 1.22 0.57 -0.31 6.16 0.00 -1.01 -2.83 119.26 123.07 2qrw h ALA 95 Ca 0.21 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2qrw h ALA 95 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qrw h ALA 95 CO -0.07 0.08 -0.22 0.28 0.00 0.00 0.00 179.25 179.32 2qrw h VAL 96 N 0.59 1.26 0.00 0.00 2.07 -1.05 -2.29 116.25 116.84 2qrw h VAL 96 Ca 0.16 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2qrw h VAL 96 Cb 0.02 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2qrw h VAL 96 CO -0.03 0.41 0.00 0.00 0.02 0.00 0.00 177.57 177.97 2qrw h ALA 97 N 1.25 1.00 -0.00 1.67 0.00 -0.87 -1.82 119.26 120.50 2qrw h ALA 97 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qrw h ALA 97 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2qrw h ALA 97 CO 0.05 0.00 -0.04 -1.13 0.00 0.00 0.00 179.25 178.13 2qrw n SER 98 N -2.63 0.12 -4.72 0.00 3.41 -0.86 -4.76 113.62 104.18 2qrw n SER 98 Ca 0.00 -0.23 -0.36 0.00 -0.26 0.00 0.00 58.87 58.02 2qrw n SER 98 Cb 0.18 -0.23 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.57 5.37 0.81 -1.33 -1.09 -0.68 -5.08 121.20 116.62 2qrw s ILE 99 Ca 0.28 0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 58.90 2qrw s ILE 99 Cb 0.20 -3.53 0.08 0.00 -1.58 0.00 0.00 42.46 37.63 2qrw s ILE 99 CO 0.47 0.41 1.09 1.51 -1.23 0.00 0.00 174.94 177.19 2qrw s ASP 100 N 0.50 4.33 0.39 3.58 3.84 -1.26 -4.82 116.67 123.23 2qrw s ASP 100 Ca 0.11 1.42 0.26 0.00 -0.00 0.00 0.00 52.55 54.34 2qrw s ASP 100 Cb -0.12 -2.16 0.74 0.00 -1.38 0.00 0.00 42.92 40.00 2qrw s ASP 100 CO 0.01 -2.09 1.74 0.77 -0.00 0.00 0.00 175.17 175.60 2qrw h SER 101 N -1.17 0.00 0.44 2.11 4.64 -1.98 -0.99 113.55 116.61 2qrw h SER 101 Ca -0.47 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.68 2qrw h SER 101 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2qrw h SER 101 CO 0.57 0.00 -0.71 -0.33 -0.87 0.00 0.00 176.83 175.49 2qrw h GLU 102 N 0.00 0.23 0.06 4.77 5.08 -1.98 -3.02 114.58 119.71 2qrw h GLU 102 Ca 0.00 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 2qrw h GLU 102 Cb 0.77 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2qrw h GLU 102 CO 0.00 0.85 -0.53 1.15 -1.00 0.00 0.00 179.01 179.48 2qrw h THR 103 N 0.15 1.55 -3.56 1.13 2.02 -1.82 -3.42 112.91 108.96 2qrw h THR 103 Ca -0.02 -2.40 -0.65 0.00 0.77 0.00 0.00 66.41 64.11 2qrw h THR 103 Cb 1.27 3.16 -0.40 0.00 -1.74 0.00 0.00 68.15 70.44 2qrw h THR 103 CO 0.11 0.63 -0.71 -0.22 0.37 0.00 0.00 175.52 175.70 2qrw s LEU 104 N -8.01 4.34 0.96 2.58 2.96 -0.41 -4.51 118.68 116.59 2qrw s LEU 104 Ca -0.18 -2.25 -0.12 0.00 -0.22 0.00 0.00 54.13 51.36 2qrw s LEU 104 Cb -0.00 -1.52 0.17 0.00 0.50 0.00 0.00 46.19 45.33 2qrw s LEU 104 CO 0.74 -0.36 1.11 1.51 -1.32 0.00 0.00 176.35 178.03 2qrw s ASP 105 N 0.78 3.01 0.22 3.68 1.47 -1.14 -4.15 116.67 120.54 2qrw s ASP 105 Ca 0.12 1.09 -0.07 0.00 1.18 0.00 0.00 52.55 54.86 2qrw s ASP 105 Cb -0.20 -1.72 0.33 0.00 -0.34 0.00 0.00 42.92 40.99 2qrw s ASP 105 CO -0.08 -2.88 1.77 0.44 0.68 0.00 0.00 175.17 175.09 2qrw h ASP 106 N -1.72 0.38 -0.32 2.11 3.32 -1.99 0.11 116.42 118.31 2qrw h ASP 106 Ca -0.53 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 2qrw h ASP 106 Cb 1.33 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2qrw h ASP 106 CO 0.60 0.22 -0.16 -0.08 -1.72 0.00 0.00 179.24 178.09 2qrw h GLU 107 N 0.54 0.67 -0.24 3.56 4.81 -1.99 -2.06 114.58 119.86 2qrw h GLU 107 Ca 0.34 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2qrw h GLU 107 Cb 0.39 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2qrw h GLU 107 CO -0.29 0.89 -0.39 0.45 -0.73 0.00 0.00 179.01 178.94 2qrw h HIS 108 N 0.44 0.66 -0.21 0.92 3.86 -1.81 -1.84 115.15 117.17 2qrw h HIS 108 Ca 0.07 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2qrw h HIS 108 Cb 0.69 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2qrw h HIS 108 CO 0.06 0.87 0.12 -0.09 0.86 0.00 0.00 177.93 179.75 2qrw h ARG 109 N 0.46 0.28 -0.38 2.45 2.43 -0.78 -0.37 114.38 118.48 2qrw h ARG 109 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2qrw h ARG 109 Cb 0.89 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 2qrw h ARG 109 CO 0.08 0.23 0.24 -0.09 -1.51 0.00 0.00 179.97 178.92 2qrw h ARG 110 N 0.25 0.51 -0.48 0.20 2.43 -1.27 -0.78 114.38 115.24 2qrw h ARG 110 Ca 0.07 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2qrw h ARG 110 Cb 0.02 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2qrw h ARG 110 CO -0.01 0.35 0.31 1.49 -1.51 0.00 0.00 179.97 180.60 2qrw h GLU 111 N 0.51 0.61 -0.20 0.20 4.81 -1.14 0.11 114.58 119.49 2qrw h GLU 111 Ca 0.14 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2qrw h GLU 111 Cb -0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2qrw h GLU 111 CO -0.03 0.41 0.06 1.25 -0.73 0.00 0.00 179.01 179.97 2qrw h LEU 112 N 0.63 0.29 -0.44 1.64 5.85 -0.86 -1.99 115.31 120.42 2qrw h LEU 112 Ca 0.18 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 2qrw h LEU 112 Cb -0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2qrw h LEU 112 CO -0.05 0.41 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.24 2qrw h LEU 113 N 0.15 0.90 -0.69 2.25 3.38 -1.00 -1.60 115.31 118.71 2qrw h LEU 113 Ca 0.07 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.73 2qrw h LEU 113 Cb 0.23 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 2qrw h LEU 113 CO -0.00 1.08 0.36 0.44 0.09 0.00 0.00 178.44 180.41 2qrw h ASP 114 N 0.72 0.49 0.15 -0.43 3.45 -0.74 -0.05 116.42 120.01 2qrw h ASP 114 Ca 0.11 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 2qrw h ASP 114 Cb 0.71 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 2qrw h ASP 114 CO 0.05 0.29 -0.07 0.22 -1.57 0.00 0.00 179.24 178.16 2qrw h TYR 115 N 0.63 -0.19 -0.74 4.55 5.03 -1.13 -1.89 116.97 123.23 2qrw h TYR 115 Ca 0.33 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.62 2qrw h TYR 115 Cb 0.30 0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 2qrw h TYR 115 CO -0.10 -0.02 0.41 -0.07 -1.32 0.00 0.00 178.16 177.06 2qrw h LEU 116 N -0.32 0.91 0.19 2.82 3.38 -1.05 0.32 115.31 121.57 2qrw h LEU 116 Ca -0.02 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2qrw h LEU 116 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2qrw h LEU 116 CO 0.03 0.74 -0.22 -0.08 0.09 0.00 0.00 178.44 179.00 2qrw h GLU 117 N 1.01 -0.45 -0.45 1.13 4.57 -0.96 -0.22 114.58 119.22 2qrw h GLU 117 Ca 0.26 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2qrw h GLU 117 Cb 0.02 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 2qrw h GLU 117 CO -0.04 -0.30 0.28 1.98 -1.18 0.00 0.00 179.01 179.75 2qrw h MET 118 N -0.46 0.60 -0.52 1.92 1.85 -1.04 -2.05 114.93 115.23 2qrw h MET 118 Ca 0.01 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 2qrw h MET 118 Cb 0.45 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.33 2qrw h MET 118 CO -0.07 0.43 0.14 0.00 -0.40 0.00 0.00 176.91 177.01 2qrw h ALA 119 N 1.14 0.68 -0.31 0.39 0.00 -0.85 -1.60 119.26 118.71 2qrw h ALA 119 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qrw h ALA 119 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2qrw h ALA 119 CO -0.03 0.36 0.20 0.00 0.00 0.00 0.00 179.25 179.78 2qrw h ALA 120 N 1.01 0.40 -0.99 0.00 0.00 -0.90 -2.20 119.26 116.58 2qrw h ALA 120 Ca 0.17 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2qrw h ALA 120 Cb 0.31 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2qrw h ALA 120 CO -0.00 -0.13 0.63 0.45 0.00 0.00 0.00 179.25 180.20 2qrw h HIS 121 N 0.42 1.16 0.00 0.00 3.86 -1.29 -1.99 115.15 117.31 2qrw h HIS 121 Ca 0.11 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2qrw h HIS 121 Cb -0.03 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.06 2qrw h HIS 121 CO -0.05 0.56 0.00 0.77 0.86 0.00 0.00 177.93 180.07 2qrw h SER 122 N 1.10 0.00 0.00 2.45 0.02 -0.81 -2.95 113.55 113.37 2qrw h SER 122 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2qrw h SER 122 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2qrw h SER 122 CO -0.20 0.00 -0.40 0.18 -1.14 0.00 0.00 176.83 175.27 2qrw n LEU 123 N -2.43 2.07 -4.71 5.07 4.77 -0.76 -4.92 117.00 116.09 2qrw n LEU 123 Ca 0.02 -0.75 -0.43 0.00 -0.03 0.00 0.00 56.01 54.83 2qrw n LEU 123 Cb 0.27 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2qrw n LEU 123 CO 0.22 0.38 1.36 0.52 -1.33 0.00 0.00 177.39 178.54 2qrw n VAL 124 N 0.10 0.06 -1.79 4.08 0.31 -1.12 -4.85 118.33 115.12 2qrw n VAL 124 Ca 0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2qrw n VAL 124 Cb 0.47 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 2qrw n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2qrw n ASN 125 N 4.14 0.05 -3.64 4.52 0.23 -0.51 -5.04 115.26 115.01 2qrw n ASN 125 Ca 0.17 -1.84 -0.15 0.00 -0.53 0.00 0.00 54.58 52.23 2qrw n ASN 125 Cb 0.34 -0.17 -0.08 0.00 -2.08 0.00 0.00 39.78 37.80 2qrw n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2qrw s SER 126 N -0.85 -0.61 0.48 0.53 0.15 -1.10 -4.76 113.70 107.54 2qrw s SER 126 Ca 0.01 1.01 0.27 0.00 0.70 0.00 0.00 55.95 57.94 2qrw s SER 126 Cb 0.01 1.00 0.88 0.00 -1.71 0.00 0.00 66.02 66.19 2qrw s SER 126 CO 0.00 -0.34 1.80 -0.65 1.20 0.00 0.00 173.24 175.26 2qrw h PRO 127 N 4.49 0.00 0.00 5.44 0.11 -1.99 -3.36 132.00 136.70 2qrw h PRO 127 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2qrw h PRO 127 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qrw h PRO 127 CO 0.21 0.08 0.00 1.97 -0.21 0.00 0.00 178.00 180.05