#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 4.81 0.13 3.14 1.04 -1.26 -4.87 113.70 116.69 2qrw s SER 4 Ca 0.00 2.06 -0.19 0.00 0.48 0.00 0.00 55.95 58.30 2qrw s SER 4 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 2qrw s SER 4 CO 0.00 -1.83 1.72 0.15 0.98 0.00 0.00 173.24 174.26 2qrw h PHE 5 N -0.19 -0.00 -0.62 5.02 3.57 -1.91 -0.42 116.94 122.39 2qrw h PHE 5 Ca -0.47 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.16 2qrw h PHE 5 Cb 1.26 0.03 -0.12 0.00 2.79 0.00 0.00 35.95 39.91 2qrw h PHE 5 CO 0.53 -0.03 -0.30 -0.92 -2.23 0.00 0.00 178.31 175.37 2qrw h TYR 6 N 0.07 -0.79 -0.40 0.41 3.20 -1.41 -1.05 116.97 117.00 2qrw h TYR 6 Ca 0.10 0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 2qrw h TYR 6 Cb 0.13 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2qrw h TYR 6 CO -0.18 -0.36 -0.09 -0.44 -1.64 0.00 0.00 178.16 175.45 2qrw h ASP 7 N -0.12 0.78 -0.70 -2.11 3.32 -1.81 0.29 116.42 116.07 2qrw h ASP 7 Ca 0.26 -0.36 0.13 0.00 0.02 0.00 0.00 57.03 57.08 2qrw h ASP 7 Cb 0.54 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 2qrw h ASP 7 CO -0.69 0.95 0.47 0.00 -1.72 0.00 0.00 179.24 178.25 2qrw h ALA 8 N 0.85 2.09 -0.73 3.45 0.00 0.03 -2.57 119.26 122.38 2qrw h ALA 8 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qrw h ALA 8 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qrw h ALA 8 CO 0.04 -0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.35 2qrw n VAL 9 N -4.47 0.97 0.00 0.00 0.24 -0.51 -4.91 118.33 109.65 2qrw n VAL 9 Ca 0.13 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.45 2qrw n VAL 9 Cb 0.48 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 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 1.66 0.70 7.00 7.63 0.00 -0.97 -4.63 105.19 116.59 2qrw n GLY 10 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.61 2.79 0.29 -0.02 0.00 0.10 -3.57 105.19 103.18 2qrw n GLY 11 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.90 1.17 -0.54 4.61 0.00 -1.96 -2.03 119.26 119.61 2qrw h ALA 12 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qrw h ALA 12 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2qrw h ALA 12 CO 0.00 -0.09 0.34 -0.22 0.00 0.00 0.00 179.25 179.29 2qrw h LYS 13 N 0.60 0.72 -0.17 0.00 3.64 -1.97 -0.46 116.57 118.93 2qrw h LYS 13 Ca 0.43 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 2qrw h LYS 13 Cb 0.57 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2qrw h LYS 13 CO -0.34 0.49 -0.01 1.15 -2.27 0.00 0.00 179.45 178.47 2qrw h THR 14 N 0.73 1.27 -0.32 1.00 2.02 -1.48 -1.33 112.91 114.80 2qrw h THR 14 Ca 0.20 -0.90 -0.12 0.00 0.77 0.00 0.00 66.41 66.36 2qrw h THR 14 Cb -0.06 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2qrw h THR 14 CO -0.04 0.27 -0.29 -0.26 0.37 0.00 0.00 175.52 175.57 2qrw h PHE 15 N 0.04 0.77 -0.39 3.16 0.04 -1.37 0.05 116.94 119.24 2qrw h PHE 15 Ca 0.05 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.63 2qrw h PHE 15 Cb 0.41 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2qrw h PHE 15 CO 0.04 0.88 0.25 0.22 -0.60 0.00 0.00 178.31 179.10 2qrw h ASP 16 N 0.57 0.45 -0.05 2.17 -0.00 -1.04 -0.78 116.42 117.74 2qrw h ASP 16 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.08 2qrw h ASP 16 Cb 0.79 -0.11 -0.00 0.00 -0.00 0.00 0.00 39.33 40.00 2qrw h ASP 16 CO 0.06 0.34 0.03 0.00 -0.00 0.00 0.00 179.24 179.67 2qrw h ALA 17 N 1.13 0.06 0.27 -0.78 0.00 -0.85 -0.05 119.26 119.04 2qrw h ALA 17 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2qrw h ALA 17 Cb -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qrw h ALA 17 CO -0.03 -0.43 -0.19 0.82 0.00 0.00 0.00 179.25 179.42 2qrw h ILE 18 N 0.04 0.60 -0.05 0.00 2.04 -0.89 -1.81 117.51 117.44 2qrw h ILE 18 Ca 0.02 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.71 2qrw h ILE 18 Cb 0.02 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2qrw h ILE 18 CO -0.00 0.00 -0.69 0.58 0.00 0.00 0.00 178.15 178.04 2qrw h VAL 19 N -0.45 1.41 -0.11 1.67 2.07 -1.11 0.28 116.25 120.01 2qrw h VAL 19 Ca -0.02 -2.17 -0.00 0.00 0.82 0.00 0.00 66.70 65.33 2qrw h VAL 19 Cb 0.39 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2qrw h VAL 19 CO 0.01 0.64 0.07 -1.28 0.02 0.00 0.00 177.57 177.02 2qrw h SER 20 N 0.17 0.13 -0.58 0.57 0.87 -0.99 0.21 113.55 113.93 2qrw h SER 20 Ca -0.02 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 2qrw h SER 20 Cb 1.23 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2qrw h SER 20 CO 0.11 0.12 0.14 -0.09 -0.53 0.00 0.00 176.83 176.58 2qrw h ARG 21 N 0.12 0.93 0.01 2.24 9.65 -1.12 -0.44 114.38 125.77 2qrw h ARG 21 Ca 0.04 -0.23 0.03 0.00 -1.10 0.00 0.00 59.98 58.72 2qrw h ARG 21 Cb 0.02 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.44 2qrw h ARG 21 CO -0.01 0.86 -0.20 0.35 2.80 0.00 0.00 179.97 183.78 2qrw h PHE 22 N 0.84 -0.53 0.00 2.20 3.57 -0.79 -3.02 116.94 119.21 2qrw h PHE 22 Ca 0.18 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2qrw h PHE 22 Cb 0.35 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2qrw h PHE 22 CO 0.03 -0.28 -0.30 1.88 -2.23 0.00 0.00 178.31 177.40 2qrw h TYR 23 N -0.33 0.00 -0.77 0.41 0.05 -0.78 -2.63 116.97 112.92 2qrw h TYR 23 Ca 0.05 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.89 2qrw h TYR 23 Cb 0.40 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 2qrw h TYR 23 CO -0.24 0.30 0.47 0.00 -1.05 0.00 0.00 178.16 177.64 2qrw h ALA 24 N 1.70 1.04 0.02 3.88 0.00 -0.96 -2.93 119.26 122.01 2qrw h ALA 24 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qrw h ALA 24 Cb 0.83 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qrw h ALA 24 CO 0.04 0.21 -0.01 1.96 0.00 0.00 0.00 179.25 181.45 2qrw h GLN 25 N 0.88 -0.03 -0.89 0.00 4.20 -1.42 -3.24 115.11 114.61 2qrw h GLN 25 Ca 0.33 0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.36 2qrw h GLN 25 Cb 0.13 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 27.75 2qrw h GLN 25 CO -0.16 0.49 0.27 0.28 -0.67 0.00 0.00 178.83 179.04 2qrw n VAL 26 N -4.85 -0.38 -0.18 -0.54 0.31 -1.02 0.15 118.33 111.83 2qrw n VAL 26 Ca -0.09 1.88 0.07 0.00 -0.01 0.00 0.00 64.34 66.20 2qrw n VAL 26 Cb 0.27 -2.91 0.36 0.00 -0.91 0.00 0.00 33.84 30.65 2qrw n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qrw h ALA 27 N 1.79 1.73 -0.47 3.52 0.00 -1.55 -1.68 119.26 122.60 2qrw h ALA 27 Ca 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2qrw h ALA 27 Cb 1.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2qrw h ALA 27 CO -0.76 0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.03 2qrw n GLU 28 N -4.48 2.56 -2.80 0.00 -0.58 0.40 -4.82 120.64 110.92 2qrw n GLU 28 Ca 0.11 -2.25 -0.42 0.00 -0.42 0.00 0.00 57.16 54.18 2qrw n GLU 28 Cb 0.25 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 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 -1.09 7.00 0.33 1.62 2.15 -0.42 -4.93 116.67 121.33 2qrw s ASP 29 Ca 0.35 1.24 0.03 0.00 0.43 0.00 0.00 52.55 54.59 2qrw s ASP 29 Cb 0.19 -2.48 0.58 0.00 -0.30 0.00 0.00 42.92 40.90 2qrw s ASP 29 CO 0.25 -0.51 1.89 -0.33 -0.17 0.00 0.00 175.17 176.30 2qrw h GLU 30 N 7.43 0.62 0.02 4.34 3.07 -1.92 -0.73 114.58 127.41 2qrw h GLU 30 Ca -0.25 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.49 2qrw h GLU 30 Cb 1.10 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 2qrw h GLU 30 CO 0.89 0.58 -0.01 0.28 -1.40 0.00 0.00 179.01 179.35 2qrw h VAL 31 N 0.61 1.47 -0.03 3.13 2.07 -1.94 -3.38 116.25 118.18 2qrw h VAL 31 Ca 0.14 -1.72 -0.22 0.00 0.82 0.00 0.00 66.70 65.71 2qrw h VAL 31 Cb 0.25 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2qrw h VAL 31 CO -0.00 0.43 -0.90 -0.07 0.02 0.00 0.00 177.57 177.04 2qrw h LEU 32 N -0.80 0.63 -2.30 2.57 3.38 -1.81 -3.15 115.31 113.83 2qrw h LEU 32 Ca -0.00 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 2qrw h LEU 32 Cb 0.72 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2qrw h LEU 32 CO 0.00 1.27 -0.02 0.08 0.09 0.00 0.00 178.44 179.86 2qrw h ARG 33 N 0.30 0.00 0.00 1.13 0.11 -1.19 0.63 114.38 115.36 2qrw h ARG 33 Ca -0.08 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.93 2qrw h ARG 33 Cb 1.53 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.60 2qrw h ARG 33 CO 0.16 0.02 -0.35 0.00 0.10 0.00 0.00 179.97 179.90 2qrw h ARG 34 N 0.00 0.00 0.05 0.08 3.08 -1.72 -3.35 114.38 112.52 2qrw h ARG 34 Ca -0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 2qrw h ARG 34 Cb 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 2qrw h ARG 34 CO 0.00 0.35 -2.29 1.55 -1.07 0.00 0.00 179.97 178.51 2qrw n VAL 35 N -4.02 1.60 -2.04 2.04 3.14 0.10 -4.85 118.33 114.30 2qrw n VAL 35 Ca -0.02 -0.61 -0.42 0.00 -2.96 0.00 0.00 64.34 60.33 2qrw n VAL 35 Cb 0.40 -1.52 -0.03 0.00 -1.06 0.00 0.00 33.84 31.64 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 2.25 0.17 1.45 1.51 -0.51 -4.91 117.35 114.77 2qrw s TYR 36 Ca -0.30 0.35 -0.06 0.00 -1.01 0.00 0.00 57.07 56.06 2qrw s TYR 36 Cb 0.08 -3.87 0.05 0.00 -0.11 0.00 0.00 41.96 38.11 2qrw s TYR 36 CO 0.67 -3.55 1.48 -1.00 -1.11 0.00 0.00 175.55 172.04 2qrw h PRO 37 N 8.95 0.68 -6.94 -1.71 0.13 -1.88 -3.46 132.00 127.76 2qrw h PRO 37 Ca -0.39 -0.42 -0.49 0.00 -0.87 0.00 0.00 66.00 63.82 2qrw h PRO 37 Cb 1.18 0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.38 2qrw h PRO 37 CO 0.94 1.04 0.15 -1.21 -0.23 0.00 0.00 178.00 178.69 2qrw s GLU 38 N -4.07 3.69 0.10 0.86 0.41 -1.26 -4.97 118.70 113.46 2qrw s GLU 38 Ca -0.09 0.42 -0.10 0.00 -0.41 0.00 0.00 54.97 54.79 2qrw s GLU 38 Cb 0.11 -2.35 -0.16 0.00 -1.78 0.00 0.00 34.13 29.95 2qrw s GLU 38 CO 0.86 -0.15 1.26 -0.44 -0.49 0.00 0.00 175.26 176.29 2qrw h ASP 39 N 0.74 0.80 -3.57 -0.19 3.32 -2.00 -3.42 116.42 112.10 2qrw h ASP 39 Ca -0.47 -0.61 -0.63 0.00 0.02 0.00 0.00 57.03 55.34 2qrw h ASP 39 Cb 1.19 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 2qrw h ASP 39 CO 0.63 1.40 0.17 -0.62 -1.72 0.00 0.00 179.24 179.10 2qrw s ASP 40 N -7.18 6.41 -0.00 6.45 -1.08 -1.26 -4.92 116.67 115.09 2qrw s ASP 40 Ca -0.09 0.04 0.11 0.00 -0.52 0.00 0.00 52.55 52.09 2qrw s ASP 40 Cb 0.08 -2.33 0.30 0.00 -1.46 0.00 0.00 42.92 39.51 2qrw s ASP 40 CO 0.90 -0.67 1.25 0.18 0.52 0.00 0.00 175.17 177.36 2qrw n LEU 41 N 6.17 1.85 -0.01 -1.34 4.77 -1.26 -4.36 117.00 122.81 2qrw n LEU 41 Ca -0.01 -0.92 -0.11 0.00 -0.03 0.00 0.00 56.01 54.94 2qrw n LEU 41 Cb 0.48 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2qrw n LEU 41 CO 0.51 0.46 0.89 0.00 -1.33 0.00 0.00 177.39 177.92 2qrw h ALA 42 N 3.63 0.14 -0.58 -1.18 0.00 -1.98 -1.54 119.26 117.75 2qrw h ALA 42 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2qrw h ALA 42 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2qrw h ALA 42 CO 0.00 -0.35 -0.02 0.78 0.00 0.00 0.00 179.25 179.67 2qrw h GLY 43 N 0.10 1.10 0.99 0.00 0.00 -2.00 -1.37 103.07 101.89 2qrw h GLY 43 Ca 0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 2qrw h GLY 43 CO -0.01 0.74 0.32 0.00 0.00 0.00 0.00 176.54 177.59 2qrw h ALA 44 N 1.04 0.76 -0.32 3.60 0.00 -1.80 -1.27 119.26 121.29 2qrw h ALA 44 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qrw h ALA 44 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2qrw h ALA 44 CO 0.03 0.29 0.11 1.49 0.00 0.00 0.00 179.25 181.17 2qrw h GLU 45 N 0.81 0.48 -0.51 0.00 4.81 -1.07 -1.29 114.58 117.81 2qrw h GLU 45 Ca 0.21 -0.10 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2qrw h GLU 45 Cb 0.06 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 2qrw h GLU 45 CO -0.03 0.52 0.23 1.49 -0.73 0.00 0.00 179.01 180.49 2qrw h GLU 46 N 0.35 0.44 -0.37 1.92 4.81 -1.08 -0.75 114.58 119.90 2qrw h GLU 46 Ca 0.10 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2qrw h GLU 46 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2qrw h GLU 46 CO -0.00 0.29 -0.17 0.00 -0.73 0.00 0.00 179.01 178.40 2qrw h ARG 47 N 0.45 0.78 -0.53 1.92 3.08 -1.02 -1.43 114.38 117.64 2qrw h ARG 47 Ca 0.24 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2qrw h ARG 47 Cb 0.19 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2qrw h ARG 47 CO -0.19 0.95 0.26 1.25 -1.07 0.00 0.00 179.97 181.17 2qrw h LEU 48 N 0.57 0.69 -0.25 3.04 5.85 -1.12 -0.89 115.31 123.20 2qrw h LEU 48 Ca 0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2qrw h LEU 48 Cb 0.71 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2qrw h LEU 48 CO 0.05 0.61 0.16 -0.09 -0.34 0.00 0.00 178.44 178.84 2qrw h ARG 49 N 0.71 0.33 -0.75 1.25 2.43 -1.01 -1.38 114.38 115.96 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 0.10 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2qrw h ARG 49 CO -0.02 0.23 0.44 0.52 -1.51 0.00 0.00 179.97 179.63 2qrw h MET 50 N 0.32 1.03 0.22 0.20 2.86 -1.08 -0.75 114.93 117.73 2qrw h MET 50 Ca 0.09 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2qrw h MET 50 Cb -0.02 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 2qrw h MET 50 CO -0.02 0.73 -0.13 0.35 1.06 0.00 0.00 176.91 178.90 2qrw h PHE 51 N 1.03 -0.35 -0.55 -0.22 3.57 -0.87 -1.69 116.94 117.86 2qrw h PHE 51 Ca 0.27 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 2qrw h PHE 51 Cb -0.02 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2qrw h PHE 51 CO -0.01 -0.21 0.12 -0.07 -2.23 0.00 0.00 178.31 175.91 2qrw h LEU 52 N -0.34 0.80 -0.17 0.59 3.38 -1.06 0.22 115.31 118.73 2qrw h LEU 52 Ca -0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2qrw h LEU 52 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qrw h LEU 52 CO 0.02 0.79 0.10 -0.33 0.09 0.00 0.00 178.44 179.12 2qrw h GLU 53 N 0.82 0.21 -0.46 1.13 5.08 -1.02 -1.80 114.58 118.55 2qrw h GLU 53 Ca 0.18 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2qrw h GLU 53 Cb 0.32 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2qrw h GLU 53 CO 0.00 0.14 0.11 0.37 -1.00 0.00 0.00 179.01 178.63 2qrw h GLN 54 N 0.22 0.73 -0.95 2.33 4.15 -0.92 0.21 115.11 120.88 2qrw h GLN 54 Ca 0.06 -0.17 0.12 0.00 0.77 0.00 0.00 58.65 59.43 2qrw h GLN 54 Cb -0.02 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 27.49 2qrw h GLN 54 CO -0.02 0.72 0.58 -0.92 -1.93 0.00 0.00 178.83 177.26 2qrw h TYR 55 N 0.61 1.05 -0.35 3.99 5.03 -0.31 -0.68 116.97 126.30 2qrw h TYR 55 Ca 0.14 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.49 2qrw h TYR 55 Cb 0.32 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.27 2qrw h TYR 55 CO 0.02 0.40 0.00 0.91 -1.32 0.00 0.00 178.16 178.17 2qrw n TRP 56 N -4.67 0.67 -0.16 -3.82 7.02 -0.70 -4.87 117.44 110.91 2qrw n TRP 56 Ca 0.18 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.37 2qrw n TRP 56 Cb 0.35 -0.09 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 0.87 0.91 0.00 6.99 0.00 -0.26 -1.06 105.19 112.64 2qrw n GLY 57 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.16 0.94 3.60 -0.02 0.00 0.74 -4.80 105.19 103.48 2qrw n GLY 58 Ca 0.00 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 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 0.70 -0.44 1.61 -0.02 -1.26 -4.59 135.00 131.00 2qrw n PRO 59 Ca 0.00 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.81 2qrw n PRO 59 Cb 0.00 -2.13 0.22 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.21 2.93 -0.31 -0.52 1.74 -1.26 -3.60 116.66 114.43 2qrw n ARG 60 Ca 0.13 -1.75 0.07 0.00 -0.77 0.00 0.00 57.85 55.54 2qrw n ARG 60 Cb 0.48 -1.79 0.28 0.00 -1.02 0.00 0.00 32.46 30.42 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 2.36 0.95 0.40 0.55 2.02 -1.91 -1.14 112.91 116.14 2qrw h THR 61 Ca 0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2qrw h THR 61 Cb 1.15 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2qrw h THR 61 CO 0.21 0.17 -0.35 0.22 0.37 0.00 0.00 175.52 176.14 2qrw h TYR 62 N 0.91 -0.95 -0.12 3.16 3.20 -1.79 0.55 116.97 121.94 2qrw h TYR 62 Ca 0.44 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.23 2qrw h TYR 62 Cb 0.45 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 2qrw h TYR 62 CO -0.00 -0.50 -0.29 0.66 -1.64 0.00 0.00 178.16 176.38 2qrw h SER 63 N -0.76 0.21 -0.99 -2.11 4.64 -1.62 1.00 113.55 113.91 2qrw h SER 63 Ca -0.03 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2qrw h SER 63 Cb 0.67 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.65 2qrw h SER 63 CO -0.03 0.51 0.65 -0.33 -0.87 0.00 0.00 176.83 176.76 2qrw h GLU 64 N 0.19 1.31 0.00 4.77 5.08 -0.85 0.93 114.58 126.02 2qrw h GLU 64 Ca 0.03 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.09 2qrw h GLU 64 Cb 0.62 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2qrw h GLU 64 CO 0.05 0.87 -1.93 1.04 -1.00 0.00 0.00 179.01 178.03 2qrw n GLN 65 N -4.38 0.66 -0.00 2.33 6.02 0.15 -4.55 117.38 117.61 2qrw n GLN 65 Ca 0.12 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.19 2qrw n GLN 65 Cb 0.02 -1.64 -0.05 0.00 1.02 0.00 0.00 30.24 29.59 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 -2.71 3.79 0.00 -1.09 5.12 0.34 -5.09 116.66 117.02 2qrw n ARG 66 Ca -0.18 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 2qrw n ARG 66 Cb 0.92 -0.92 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 1.31 -0.52 3.74 -0.13 0.00 0.32 -4.85 105.19 105.06 2qrw n GLY 67 Ca 0.01 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 2qrw n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qrw s HIS 68 N 0.00 3.22 0.24 1.61 5.65 -1.26 -4.19 115.29 120.56 2qrw s HIS 68 Ca 0.00 1.20 -0.30 0.00 0.25 0.00 0.00 55.06 56.21 2qrw s HIS 68 Cb 0.00 -3.63 -0.10 0.00 -1.18 0.00 0.00 32.58 27.67 2qrw s HIS 68 CO 0.00 -1.97 1.45 -1.25 -0.65 0.00 0.00 174.74 172.32 2qrw s PRO 69 N -0.21 4.27 -0.35 2.88 0.04 -1.26 -4.92 135.00 135.45 2qrw s PRO 69 Ca 0.57 2.29 0.13 0.00 0.04 0.00 0.00 61.00 64.03 2qrw s PRO 69 Cb -0.37 -3.12 0.45 0.00 0.04 0.00 0.00 34.50 31.50 2qrw s PRO 69 CO 0.39 -0.43 1.05 0.54 0.04 0.00 0.00 177.00 178.59 2qrw n ARG 70 N 2.53 2.30 0.07 4.56 1.74 -1.26 -5.00 116.66 121.60 2qrw n ARG 70 Ca 0.07 -3.83 0.17 0.00 -0.77 0.00 0.00 57.85 53.50 2qrw n ARG 70 Cb 0.40 -1.76 0.69 0.00 -1.02 0.00 0.00 32.46 30.77 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 2.71 0.00 -0.41 0.55 3.38 -1.99 1.00 115.31 120.54 2qrw h LEU 71 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2qrw h LEU 71 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2qrw h LEU 71 CO 0.61 0.00 0.23 -0.09 0.09 0.00 0.00 178.44 179.28 2qrw h ARG 72 N 0.00 0.57 -0.18 1.13 2.43 -1.96 -2.21 114.38 114.17 2qrw h ARG 72 Ca 0.19 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2qrw h ARG 72 Cb 0.76 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2qrw h ARG 72 CO -0.00 0.45 -0.42 0.52 -1.51 0.00 0.00 179.97 179.01 2qrw h MET 73 N 0.54 0.41 0.00 0.20 2.86 0.62 -1.87 114.93 117.68 2qrw h MET 73 Ca 0.15 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 2qrw h MET 73 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2qrw h MET 73 CO -0.02 0.76 -0.29 0.00 1.06 0.00 0.00 176.91 178.41 2qrw h ARG 74 N 0.34 0.00 0.00 1.72 2.47 -1.40 -2.49 114.38 115.02 2qrw h ARG 74 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2qrw h ARG 74 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 2qrw h ARG 74 CO 0.07 0.29 -0.51 0.72 0.56 0.00 0.00 179.97 181.11 2qrw n HIS 75 N -3.51 0.00 -0.10 3.04 8.25 -0.84 -4.46 115.22 117.60 2qrw n HIS 75 Ca -0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 2qrw n HIS 75 Cb 0.45 -0.25 0.40 0.00 1.12 0.00 0.00 29.99 31.71 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 3.00 1.76 0.00 -1.41 0.00 -0.86 -1.22 119.26 120.53 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 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qrw h ALA 76 CO 0.00 0.16 0.00 -1.35 0.00 0.00 0.00 179.25 178.06 2qrw h PRO 77 N 0.62 0.00 -6.35 0.00 0.11 -1.78 -3.44 132.00 121.17 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 0.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.13 2qrw h PRO 77 CO -0.07 0.00 -0.71 -0.06 -0.21 0.00 0.00 178.00 176.95 2qrw s PHE 78 N -3.89 2.85 -0.70 0.65 0.40 -0.46 -5.06 117.98 111.77 2qrw s PHE 78 Ca -0.03 -0.07 -0.22 0.00 -0.60 0.00 0.00 56.93 56.01 2qrw s PHE 78 Cb 0.10 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 42.14 2qrw s PHE 78 CO 0.36 0.38 0.99 1.03 0.70 0.00 0.00 175.22 178.69 2qrw s ARG 79 N -1.60 3.18 -0.60 0.44 0.52 -1.26 -4.91 118.95 114.71 2qrw s ARG 79 Ca 0.18 -0.95 -0.13 0.00 -0.52 0.00 0.00 55.73 54.31 2qrw s ARG 79 Cb -0.11 -4.34 0.15 0.00 0.52 0.00 0.00 34.95 31.17 2qrw s ARG 79 CO 0.09 -1.82 0.53 0.42 0.02 0.00 0.00 175.30 174.54 2qrw s ILE 80 N 3.92 5.01 0.30 1.52 1.01 -1.26 -4.93 121.20 126.77 2qrw s ILE 80 Ca 0.24 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 59.00 2qrw s ILE 80 Cb -0.15 -4.20 0.06 0.00 0.01 0.00 0.00 42.46 38.18 2qrw s ILE 80 CO 0.07 -0.89 0.41 -1.54 0.00 0.00 0.00 174.94 172.99 2qrw n SER 81 N 4.75 0.60 -0.28 3.58 3.41 -1.26 -1.22 113.62 123.20 2qrw n SER 81 Ca -0.04 -1.49 0.14 0.00 -0.26 0.00 0.00 58.87 57.21 2qrw n SER 81 Cb 0.42 -0.26 0.40 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.62 -0.28 1.04 3.38 -1.93 -1.57 115.31 116.58 2qrw h LEU 82 Ca -0.14 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2qrw h LEU 82 Cb 0.51 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qrw h LEU 82 CO 0.15 0.28 -0.07 0.40 0.09 0.00 0.00 178.44 179.29 2qrw h ILE 83 N 0.64 1.28 -0.49 1.22 2.04 -1.96 -0.50 117.51 119.74 2qrw h ILE 83 Ca 0.48 -1.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.11 2qrw h ILE 83 Cb 0.88 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2qrw h ILE 83 CO -0.23 0.35 -0.19 -0.33 0.00 0.00 0.00 178.15 177.74 2qrw h GLU 84 N 0.30 1.00 -0.07 2.37 3.07 -1.82 -1.84 114.58 117.58 2qrw h GLU 84 Ca 0.07 -0.42 0.02 0.00 -0.50 0.00 0.00 59.36 58.53 2qrw h GLU 84 Cb 0.56 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 2qrw h GLU 84 CO 0.03 1.09 -0.04 -0.09 -1.40 0.00 0.00 179.01 178.60 2qrw h ARG 85 N 0.85 -0.04 -0.75 2.33 1.12 -1.16 -0.39 114.38 116.34 2qrw h ARG 85 Ca 0.11 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.99 2qrw h ARG 85 Cb 0.77 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.70 2qrw h ARG 85 CO 0.06 -0.03 0.49 -0.44 -3.11 0.00 0.00 179.97 176.95 2qrw h ASP 86 N -0.04 0.86 -0.66 -3.80 3.32 -0.97 -1.11 116.42 114.02 2qrw h ASP 86 Ca 0.04 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2qrw h ASP 86 Cb 0.11 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 2qrw h ASP 86 CO -0.10 0.63 0.28 0.00 -1.72 0.00 0.00 179.24 178.33 2qrw h ALA 87 N 1.27 0.85 -0.06 3.45 0.00 -1.04 -0.96 119.26 122.78 2qrw h ALA 87 Ca 0.27 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2qrw h ALA 87 Cb -0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2qrw h ALA 87 CO -0.06 0.45 -0.08 0.35 0.00 0.00 0.00 179.25 179.91 2qrw h PHE 88 N 0.92 -0.20 -0.49 0.00 3.57 -0.62 -1.33 116.94 118.79 2qrw h PHE 88 Ca 0.22 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 2qrw h PHE 88 Cb 0.18 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2qrw h PHE 88 CO 0.01 -0.13 0.05 -0.07 -2.23 0.00 0.00 178.31 175.94 2qrw h LEU 89 N -0.12 0.73 0.18 0.59 3.38 -0.89 0.87 115.31 120.06 2qrw h LEU 89 Ca 0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2qrw h LEU 89 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qrw h LEU 89 CO -0.13 0.77 -0.13 0.03 0.09 0.00 0.00 178.44 179.07 2qrw h ARG 90 N 0.74 -0.30 -1.00 1.13 3.08 -0.93 0.22 114.38 117.32 2qrw h ARG 90 Ca 0.15 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.24 2qrw h ARG 90 Cb 0.37 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2qrw h ARG 90 CO 0.01 -0.20 0.66 0.00 -1.07 0.00 0.00 179.97 179.37 2qrw h MET 92 N 1.33 0.81 -0.76 0.00 1.85 -0.56 -1.74 114.93 115.86 2qrw h MET 92 Ca 0.37 -0.46 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 2qrw h MET 92 Cb -0.11 0.03 -0.04 0.00 0.43 0.00 0.00 31.60 31.91 2qrw h MET 92 CO -0.09 1.09 0.40 0.45 -0.40 0.00 0.00 176.91 178.35 2qrw h HIS 93 N 0.58 1.06 -0.45 1.39 -0.00 -0.33 -0.22 115.15 117.18 2qrw h HIS 93 Ca 0.04 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 2qrw h HIS 93 Cb 0.97 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 2qrw h HIS 93 CO 0.07 0.75 0.20 1.15 -0.00 0.00 0.00 177.93 180.10 2qrw h THR 94 N 1.07 1.20 -0.41 2.45 2.02 -1.20 1.00 112.91 119.04 2qrw h THR 94 Ca 0.27 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2qrw h THR 94 Cb 0.06 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2qrw h THR 94 CO -0.04 0.22 0.20 0.00 0.37 0.00 0.00 175.52 176.28 2qrw h ALA 95 N 1.04 0.52 -0.39 6.16 0.00 -0.84 -2.26 119.26 123.49 2qrw h ALA 95 Ca 0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2qrw h ALA 95 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2qrw h ALA 95 CO -0.02 0.07 -0.20 0.28 0.00 0.00 0.00 179.25 179.39 2qrw h VAL 96 N 0.52 1.27 0.00 0.00 2.07 -0.90 -2.35 116.25 116.86 2qrw h VAL 96 Ca 0.14 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2qrw h VAL 96 Cb 0.10 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2qrw h VAL 96 CO -0.02 0.43 -0.03 0.00 0.02 0.00 0.00 177.57 177.98 2qrw h ALA 97 N 1.11 1.18 0.00 1.67 0.00 -0.50 -1.42 119.26 121.30 2qrw h ALA 97 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qrw h ALA 97 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2qrw h ALA 97 CO 0.05 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 2qrw n SER 98 N -3.37 0.00 -4.72 0.00 3.41 -0.88 -4.73 113.62 103.33 2qrw n SER 98 Ca -0.02 0.33 -0.37 0.00 -0.26 0.00 0.00 58.87 58.55 2qrw n SER 98 Cb 0.14 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.59 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 5.25 0.83 -1.33 -1.09 -0.54 -5.07 121.20 116.38 2qrw s ILE 99 Ca 0.16 0.75 -0.11 0.00 -2.23 0.00 0.00 60.65 59.21 2qrw s ILE 99 Cb 0.17 -3.72 0.09 0.00 -1.58 0.00 0.00 42.46 37.41 2qrw s ILE 99 CO 0.44 0.36 1.09 1.51 -1.23 0.00 0.00 174.94 177.10 2qrw s ASP 100 N 0.56 4.11 0.25 3.58 3.84 -1.26 -4.82 116.67 122.93 2qrw s ASP 100 Ca 0.21 1.52 0.25 0.00 -0.00 0.00 0.00 52.55 54.53 2qrw s ASP 100 Cb -0.14 -2.23 0.87 0.00 -1.38 0.00 0.00 42.92 40.04 2qrw s ASP 100 CO 0.07 -2.24 1.75 0.77 -0.00 0.00 0.00 175.17 175.52 2qrw h SER 101 N -1.27 0.00 0.31 2.11 4.64 -1.97 -1.03 113.55 116.34 2qrw h SER 101 Ca -0.47 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.60 2qrw h SER 101 Cb 1.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2qrw h SER 101 CO 0.55 0.00 -1.04 -0.33 -0.87 0.00 0.00 176.83 175.14 2qrw h GLU 102 N 0.00 0.45 0.02 4.77 5.08 -1.98 -3.17 114.58 119.75 2qrw h GLU 102 Ca 0.00 -0.54 -0.05 0.00 -1.00 0.00 0.00 59.36 57.77 2qrw h GLU 102 Cb 0.60 0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.02 2qrw h GLU 102 CO 0.00 1.19 -0.21 1.15 -1.00 0.00 0.00 179.01 180.14 2qrw h THR 103 N 0.23 1.65 -3.23 1.13 2.02 -1.84 -3.41 112.91 109.46 2qrw h THR 103 Ca -0.11 -2.17 -0.63 0.00 0.77 0.00 0.00 66.41 64.27 2qrw h THR 103 Cb 1.70 3.09 -0.41 0.00 -1.74 0.00 0.00 68.15 70.79 2qrw h THR 103 CO 0.18 0.58 -0.67 -0.22 0.37 0.00 0.00 175.52 175.77 2qrw s LEU 104 N -8.33 3.72 1.03 2.58 2.96 -0.42 -4.48 118.68 115.74 2qrw s LEU 104 Ca -0.17 -2.89 -0.13 0.00 -0.22 0.00 0.00 54.13 50.72 2qrw s LEU 104 Cb -0.01 -1.42 0.20 0.00 0.50 0.00 0.00 46.19 45.47 2qrw s LEU 104 CO 0.73 -0.24 1.10 1.51 -1.32 0.00 0.00 176.35 178.13 2qrw s ASP 105 N -0.07 2.38 0.23 3.68 3.84 -1.20 -4.45 116.67 121.08 2qrw s ASP 105 Ca 0.17 1.07 -0.07 0.00 -0.00 0.00 0.00 52.55 53.73 2qrw s ASP 105 Cb -0.25 -1.68 0.31 0.00 -1.38 0.00 0.00 42.92 39.92 2qrw s ASP 105 CO -0.00 -3.27 1.83 0.44 -0.00 0.00 0.00 175.17 174.17 2qrw h ASP 106 N -1.99 0.72 0.05 2.11 3.32 -1.98 0.14 116.42 118.79 2qrw h ASP 106 Ca -0.54 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 2qrw h ASP 106 Cb 1.33 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2qrw h ASP 106 CO 0.55 0.46 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.42 2qrw h GLU 107 N 0.86 -0.08 -0.05 3.56 4.81 -1.99 -0.99 114.58 120.69 2qrw h GLU 107 Ca 0.35 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.44 2qrw h GLU 107 Cb 0.19 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2qrw h GLU 107 CO -0.18 -0.05 -0.63 0.45 -0.73 0.00 0.00 179.01 177.86 2qrw h HIS 108 N -0.08 0.24 -0.43 0.92 3.86 -1.68 -2.40 115.15 115.57 2qrw h HIS 108 Ca -0.00 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 2qrw h HIS 108 Cb 0.07 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 2qrw h HIS 108 CO -0.08 0.76 0.22 -0.09 0.86 0.00 0.00 177.93 179.60 2qrw h ARG 109 N 0.13 0.62 -0.26 2.45 2.43 -0.64 -1.10 114.38 118.01 2qrw h ARG 109 Ca -0.01 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2qrw h ARG 109 Cb 1.14 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2qrw h ARG 109 CO 0.09 0.51 0.09 -0.09 -1.51 0.00 0.00 179.97 179.06 2qrw h ARG 110 N 0.56 0.40 -0.58 0.20 1.12 -1.02 -1.25 114.38 113.81 2qrw h ARG 110 Ca 0.15 -0.08 0.01 0.00 -1.11 0.00 0.00 59.98 58.94 2qrw h ARG 110 Cb 0.09 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 29.96 2qrw h ARG 110 CO -0.02 0.46 0.38 1.49 -3.11 0.00 0.00 179.97 179.17 2qrw h GLU 111 N 0.26 0.76 -0.34 0.20 4.81 -1.36 0.11 114.58 119.02 2qrw h GLU 111 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2qrw h GLU 111 Cb 0.23 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2qrw h GLU 111 CO -0.00 0.51 0.22 1.25 -0.73 0.00 0.00 179.01 180.25 2qrw h LEU 112 N 0.78 0.40 -0.43 1.64 5.85 -1.01 -1.59 115.31 120.96 2qrw h LEU 112 Ca 0.21 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 2qrw h LEU 112 Cb -0.09 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2qrw h LEU 112 CO -0.05 0.31 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.95 2qrw h LEU 113 N 0.46 1.00 -0.43 2.25 3.38 -0.92 -1.49 115.31 119.56 2qrw h LEU 113 Ca 0.12 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2qrw h LEU 113 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2qrw h LEU 113 CO -0.03 1.24 0.18 0.44 0.09 0.00 0.00 178.44 180.36 2qrw h ASP 114 N 0.79 0.22 0.42 -0.43 3.45 -0.72 -0.46 116.42 119.68 2qrw h ASP 114 Ca 0.07 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 2qrw h ASP 114 Cb 0.93 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.70 2qrw h ASP 114 CO 0.09 0.16 -0.29 0.22 -1.57 0.00 0.00 179.24 177.86 2qrw h TYR 115 N 0.36 -0.75 -0.89 4.55 5.03 -1.07 -2.04 116.97 122.15 2qrw h TYR 115 Ca 0.20 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.59 2qrw h TYR 115 Cb 0.16 0.28 -0.07 0.00 1.55 0.00 0.00 36.73 38.64 2qrw h TYR 115 CO -0.13 -0.43 0.54 -0.07 -1.32 0.00 0.00 178.16 176.75 2qrw h LEU 116 N -0.68 0.81 0.29 2.82 3.38 -1.05 0.14 115.31 121.02 2qrw h LEU 116 Ca -0.04 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qrw h LEU 116 Cb 0.58 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qrw h LEU 116 CO 0.02 0.48 -0.20 -0.08 0.09 0.00 0.00 178.44 178.75 2qrw h GLU 117 N 0.92 -0.47 -0.46 1.13 4.81 -0.97 -0.78 114.58 118.76 2qrw h GLU 117 Ca 0.42 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 2qrw h GLU 117 Cb 0.32 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2qrw h GLU 117 CO -0.22 -0.31 0.26 1.98 -0.73 0.00 0.00 179.01 179.99 2qrw h MET 118 N -0.49 0.63 -0.45 1.92 4.05 -0.79 -2.07 114.93 117.73 2qrw h MET 118 Ca -0.03 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2qrw h MET 118 Cb 0.42 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 2qrw h MET 118 CO 0.01 0.47 0.24 0.00 0.23 0.00 0.00 176.91 177.86 2qrw h ALA 119 N 1.12 0.57 -0.60 0.39 0.00 -0.66 -1.72 119.26 118.36 2qrw h ALA 119 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 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 -0.03 0.11 0.16 0.00 0.00 0.00 0.00 179.25 179.49 2qrw h ALA 120 N 1.08 0.79 -0.90 0.00 0.00 -1.03 -2.36 119.26 116.84 2qrw h ALA 120 Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2qrw h ALA 120 Cb 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2qrw h ALA 120 CO -0.02 0.49 0.58 0.45 0.00 0.00 0.00 179.25 180.75 2qrw h HIS 121 N 0.87 1.09 0.00 0.00 -0.00 -1.24 -2.52 115.15 113.35 2qrw h HIS 121 Ca 0.19 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2qrw h HIS 121 Cb 0.33 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 2qrw h HIS 121 CO 0.02 0.60 0.00 0.43 -0.00 0.00 0.00 177.93 178.99 2qrw n SER 122 N -4.54 0.50 -0.59 2.45 7.64 -0.66 -2.87 113.62 115.55 2qrw n SER 122 Ca 0.12 0.61 0.12 0.00 1.01 0.00 0.00 58.87 60.72 2qrw n SER 122 Cb 0.12 -0.72 0.08 0.00 -1.01 0.00 0.00 64.21 62.68 2qrw n SER 122 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2qrw n LEU 123 N -2.03 2.17 -4.70 -3.43 4.77 -0.92 -4.92 117.00 107.94 2qrw n LEU 123 Ca 0.03 -0.76 -0.43 0.00 -0.03 0.00 0.00 56.01 54.81 2qrw n LEU 123 Cb 0.25 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2qrw n LEU 123 CO 0.20 0.39 1.38 0.52 -1.33 0.00 0.00 177.39 178.55 2qrw n VAL 124 N 0.28 0.16 -1.24 4.08 0.31 -1.14 -4.85 118.33 115.93 2qrw n VAL 124 Ca 0.11 -0.03 0.01 0.00 -0.01 0.00 0.00 64.34 64.42 2qrw n VAL 124 Cb 0.49 -1.93 0.01 0.00 -0.91 0.00 0.00 33.84 31.50 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 4.59 0.45 -3.73 4.52 0.23 -0.36 -5.04 115.26 115.93 2qrw n ASN 125 Ca 0.17 -1.66 -0.13 0.00 -0.53 0.00 0.00 54.58 52.43 2qrw n ASN 125 Cb 0.34 -0.11 -0.10 0.00 -2.08 0.00 0.00 39.78 37.83 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 -0.73 -0.43 0.16 0.53 0.15 -1.05 -4.80 113.70 107.53 2qrw s SER 126 Ca 0.03 0.81 0.27 0.00 0.70 0.00 0.00 55.95 57.76 2qrw s SER 126 Cb 0.03 0.83 0.92 0.00 -1.71 0.00 0.00 66.02 66.09 2qrw s SER 126 CO 0.00 -0.16 1.81 -0.81 1.20 0.00 0.00 173.24 175.28 2qrw n PRO 127 N 2.78 0.19 0.00 5.44 -0.04 -1.26 -4.09 135.00 138.02 2qrw n PRO 127 Ca -0.14 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2qrw n PRO 127 Cb 0.57 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2qrw n PRO 127 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43