#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 4.07 0.27 3.14 1.04 -1.26 -4.75 113.70 116.21 2qrw s SER 4 Ca 0.00 2.44 -0.01 0.00 0.48 0.00 0.00 55.95 58.87 2qrw s SER 4 Cb 0.00 -2.60 0.58 0.00 0.10 0.00 0.00 66.02 64.10 2qrw s SER 4 CO 0.00 -2.35 1.71 0.15 0.98 0.00 0.00 173.24 173.73 2qrw h PHE 5 N -0.29 0.54 -0.09 5.02 3.57 -1.94 0.83 116.94 124.58 2qrw h PHE 5 Ca -0.48 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.10 2qrw h PHE 5 Cb 1.31 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.89 2qrw h PHE 5 CO 0.45 -0.01 -0.22 -0.92 -2.23 0.00 0.00 178.31 175.38 2qrw h TYR 6 N 0.40 -0.59 -0.34 0.41 3.20 -1.54 -1.76 116.97 116.75 2qrw h TYR 6 Ca 0.48 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.37 2qrw h TYR 6 Cb 0.83 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 2qrw h TYR 6 CO -0.17 -0.31 0.19 -0.44 -1.64 0.00 0.00 178.16 175.79 2qrw h ASP 7 N -0.30 0.43 -0.88 -2.11 3.32 -1.73 0.36 116.42 115.51 2qrw h ASP 7 Ca 0.09 -0.09 0.18 0.00 0.02 0.00 0.00 57.03 57.24 2qrw h ASP 7 Cb 0.43 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 2qrw h ASP 7 CO -0.27 0.39 0.58 0.00 -1.72 0.00 0.00 179.24 178.22 2qrw h ALA 8 N 1.06 2.10 -0.65 3.45 0.00 -0.28 -1.90 119.26 123.04 2qrw h ALA 8 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qrw h ALA 8 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qrw h ALA 8 CO -0.02 -0.37 0.00 1.33 0.00 0.00 0.00 179.25 180.19 2qrw n VAL 9 N -4.53 0.87 0.00 0.00 0.24 -0.71 -4.92 118.33 109.27 2qrw n VAL 9 Ca 0.18 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 2qrw n VAL 9 Cb 0.62 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 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 1.57 0.82 7.00 7.63 0.00 -0.71 -4.68 105.19 116.82 2qrw n GLY 10 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.76 2.09 0.22 -0.02 0.00 0.11 -3.91 105.19 101.93 2qrw n GLY 11 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.69 0.71 -0.73 4.61 0.00 -1.96 -1.93 119.26 119.27 2qrw h ALA 12 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2qrw h ALA 12 Cb 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2qrw h ALA 12 CO 0.00 -0.24 0.43 -0.22 0.00 0.00 0.00 179.25 179.21 2qrw h LYS 13 N 0.34 0.76 -0.14 0.00 3.64 -1.97 -0.23 116.57 118.97 2qrw h LYS 13 Ca 0.29 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2qrw h LYS 13 Cb 0.38 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2qrw h LYS 13 CO -0.32 0.50 0.02 1.15 -2.27 0.00 0.00 179.45 178.53 2qrw h THR 14 N 0.78 1.22 -0.50 1.00 2.02 -1.50 -1.41 112.91 114.52 2qrw h THR 14 Ca 0.32 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 2qrw h THR 14 Cb 0.18 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2qrw h THR 14 CO -0.18 0.21 0.09 -0.26 0.37 0.00 0.00 175.52 175.75 2qrw h PHE 15 N -0.00 0.80 -0.49 3.16 -1.00 -1.28 -0.85 116.94 117.28 2qrw h PHE 15 Ca 0.04 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 2qrw h PHE 15 Cb 0.30 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 2qrw h PHE 15 CO 0.02 0.70 0.13 0.22 -1.61 0.00 0.00 178.31 177.77 2qrw h ASP 16 N 0.74 0.72 0.16 2.17 1.82 -0.96 -1.29 116.42 119.77 2qrw h ASP 16 Ca 0.16 -0.22 0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2qrw h ASP 16 Cb 0.33 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 2qrw h ASP 16 CO 0.00 0.75 -0.16 0.00 -1.61 0.00 0.00 179.24 178.22 2qrw h ALA 17 N 1.00 -0.32 0.31 -0.78 0.00 -0.90 0.23 119.26 118.79 2qrw h ALA 17 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qrw h ALA 17 Cb 0.30 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2qrw h ALA 17 CO -0.00 -0.70 -0.20 0.82 0.00 0.00 0.00 179.25 179.16 2qrw h ILE 18 N -0.35 0.57 -0.10 0.00 2.04 -1.12 -1.87 117.51 116.68 2qrw h ILE 18 Ca 0.01 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.70 2qrw h ILE 18 Cb 0.34 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2qrw h ILE 18 CO -0.05 0.00 -0.66 0.58 0.00 0.00 0.00 178.15 178.02 2qrw h VAL 19 N -0.50 1.37 -0.31 1.67 2.07 -1.20 0.79 116.25 120.14 2qrw h VAL 19 Ca -0.03 -2.02 0.03 0.00 0.82 0.00 0.00 66.70 65.50 2qrw h VAL 19 Cb 0.42 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 2qrw h VAL 19 CO 0.02 0.61 0.13 -1.28 0.02 0.00 0.00 177.57 177.06 2qrw h SER 20 N 0.28 0.16 0.01 0.57 0.87 -0.95 -0.11 113.55 114.39 2qrw h SER 20 Ca -0.02 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 2qrw h SER 20 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2qrw h SER 20 CO 0.11 0.13 -0.46 0.03 -0.53 0.00 0.00 176.83 176.12 2qrw h ARG 21 N 0.27 0.53 0.08 2.24 3.08 -1.02 -1.68 114.38 117.89 2qrw h ARG 21 Ca 0.13 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2qrw h ARG 21 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2qrw h ARG 21 CO -0.12 0.88 -0.07 0.35 -1.07 0.00 0.00 179.97 179.94 2qrw h PHE 22 N 0.43 -0.19 0.00 3.04 3.04 -0.59 -2.91 116.94 119.75 2qrw h PHE 22 Ca 0.03 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 2qrw h PHE 22 Cb 0.96 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 2qrw h PHE 22 CO 0.04 -0.12 -0.24 1.88 -2.02 0.00 0.00 178.31 177.84 2qrw h TYR 23 N -0.17 0.00 -0.12 0.41 0.05 -0.81 -1.24 116.97 115.08 2qrw h TYR 23 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2qrw h TYR 23 Cb 0.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2qrw h TYR 23 CO -0.10 0.24 -0.13 0.00 -1.05 0.00 0.00 178.16 177.12 2qrw h ALA 24 N 1.76 1.55 0.06 3.88 0.00 -1.28 -2.20 119.26 123.03 2qrw h ALA 24 Ca -0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 2qrw h ALA 24 Cb 0.80 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.54 2qrw h ALA 24 CO 0.03 0.32 -0.85 1.96 0.00 0.00 0.00 179.25 180.71 2qrw h GLN 25 N 0.18 0.46 -0.89 0.00 4.20 -1.06 -3.27 115.11 114.73 2qrw h GLN 25 Ca 0.04 -0.58 0.19 0.00 0.06 0.00 0.00 58.65 58.36 2qrw h GLN 25 Cb 0.36 0.19 -0.11 0.00 0.30 0.00 0.00 27.48 28.21 2qrw h GLN 25 CO 0.02 1.23 0.43 0.28 -0.67 0.00 0.00 178.83 180.12 2qrw h VAL 26 N -0.03 0.58 -0.47 -0.54 2.07 -1.17 -1.08 116.25 115.60 2qrw h VAL 26 Ca -0.12 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.29 2qrw h VAL 26 Cb 1.58 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qrw h VAL 26 CO 0.16 0.09 0.32 0.00 0.02 0.00 0.00 177.57 178.17 2qrw h ALA 27 N 1.65 1.98 -0.18 1.67 0.00 -1.45 -1.77 119.26 121.16 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 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2qrw h ALA 27 CO -0.46 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.12 2qrw n GLU 28 N -4.47 1.97 -3.09 0.00 -0.58 -0.51 -4.84 120.64 109.11 2qrw n GLU 28 Ca 0.06 -1.86 -0.42 0.00 -0.42 0.00 0.00 57.16 54.52 2qrw n GLU 28 Cb 0.28 -1.39 -0.06 0.00 -0.57 0.00 0.00 31.44 29.69 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 -1.43 6.39 0.24 1.62 3.68 -0.60 -4.95 116.67 121.62 2qrw s ASP 29 Ca 0.27 -0.07 -0.05 0.00 2.13 0.00 0.00 52.55 54.83 2qrw s ASP 29 Cb 0.17 -2.33 0.34 0.00 -1.45 0.00 0.00 42.92 39.65 2qrw s ASP 29 CO 0.25 -0.71 1.85 -0.33 0.13 0.00 0.00 175.17 176.36 2qrw h GLU 30 N 8.69 0.96 -0.20 4.34 4.39 -1.90 0.39 114.58 131.25 2qrw h GLU 30 Ca -0.26 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 2qrw h GLU 30 Cb 1.10 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2qrw h GLU 30 CO 0.88 0.63 0.09 0.28 -1.16 0.00 0.00 179.01 179.73 2qrw h VAL 31 N 0.99 1.15 -0.09 3.13 2.07 -1.94 -2.98 116.25 118.57 2qrw h VAL 31 Ca 0.38 -0.43 -0.21 0.00 0.82 0.00 0.00 66.70 67.26 2qrw h VAL 31 Cb 0.17 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2qrw h VAL 31 CO -0.17 0.14 -0.75 -0.07 0.02 0.00 0.00 177.57 176.74 2qrw h LEU 32 N 0.19 0.81 -1.87 2.57 3.38 -1.74 -3.04 115.31 115.60 2qrw h LEU 32 Ca 0.07 -0.67 0.16 0.00 0.09 0.00 0.00 57.88 57.53 2qrw h LEU 32 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2qrw h LEU 32 CO -0.01 1.36 0.44 -0.09 0.09 0.00 0.00 178.44 180.23 2qrw h ARG 33 N 0.32 0.12 0.00 1.13 2.43 -0.30 0.39 114.38 118.47 2qrw h ARG 33 Ca -0.07 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 2qrw h ARG 33 Cb 1.40 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 2qrw h ARG 33 CO 0.15 0.08 -0.52 0.00 -1.51 0.00 0.00 179.97 178.18 2qrw h ARG 34 N 0.13 0.00 0.05 0.20 3.08 -1.41 -3.35 114.38 113.08 2qrw h ARG 34 Ca 0.30 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.98 2qrw h ARG 34 Cb 1.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 2qrw h ARG 34 CO -0.04 0.52 -2.23 1.55 -1.07 0.00 0.00 179.97 178.70 2qrw n VAL 35 N -3.53 1.60 -2.09 2.04 3.14 -0.05 -4.85 118.33 114.58 2qrw n VAL 35 Ca -0.00 -0.65 -0.42 0.00 -2.96 0.00 0.00 64.34 60.31 2qrw n VAL 35 Cb 0.61 -1.42 -0.03 0.00 -1.06 0.00 0.00 33.84 31.95 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 -2.54 2.75 0.10 1.45 1.51 -0.19 -4.93 117.35 115.50 2qrw s TYR 36 Ca -0.25 0.64 -0.25 0.00 -1.01 0.00 0.00 57.07 56.20 2qrw s TYR 36 Cb 0.08 -3.79 -0.13 0.00 -0.11 0.00 0.00 41.96 38.01 2qrw s TYR 36 CO 0.70 -3.01 1.69 -1.35 -1.11 0.00 0.00 175.55 172.48 2qrw h PRO 37 N 7.85 -0.26 -7.04 -1.71 0.11 -1.89 -3.46 132.00 125.60 2qrw h PRO 37 Ca -0.40 0.02 -0.46 0.00 0.11 0.00 0.00 66.00 65.27 2qrw h PRO 37 Cb 1.19 0.06 0.06 0.00 0.11 0.00 0.00 31.00 32.42 2qrw h PRO 37 CO 0.91 -0.17 0.10 -1.21 -0.21 0.00 0.00 178.00 177.42 2qrw s GLU 38 N -6.14 2.66 -0.02 1.05 0.41 -1.26 -4.98 118.70 110.42 2qrw s GLU 38 Ca -0.14 -0.32 -0.23 0.00 -0.41 0.00 0.00 54.97 53.87 2qrw s GLU 38 Cb 0.06 -2.34 -0.22 0.00 -1.78 0.00 0.00 34.13 29.86 2qrw s GLU 38 CO 0.65 -0.78 1.10 -0.44 -0.49 0.00 0.00 175.26 175.30 2qrw h ASP 39 N -0.15 0.31 -3.59 -0.19 3.32 -1.98 -3.42 116.42 110.72 2qrw h ASP 39 Ca -0.45 -0.72 -0.64 0.00 0.02 0.00 0.00 57.03 55.25 2qrw h ASP 39 Cb 1.28 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 2qrw h ASP 39 CO 0.58 0.98 0.02 -0.62 -1.72 0.00 0.00 179.24 178.48 2qrw s ASP 40 N -6.36 6.36 -0.00 6.45 2.15 -1.26 -4.93 116.67 119.08 2qrw s ASP 40 Ca -0.15 0.06 0.10 0.00 0.43 0.00 0.00 52.55 52.99 2qrw s ASP 40 Cb 0.02 -2.29 0.28 0.00 -0.30 0.00 0.00 42.92 40.63 2qrw s ASP 40 CO 0.76 -0.51 1.23 0.18 -0.17 0.00 0.00 175.17 176.66 2qrw n LEU 41 N 5.83 1.69 -0.23 -1.34 4.77 -1.26 -4.39 117.00 122.07 2qrw n LEU 41 Ca -0.04 -0.84 -0.06 0.00 -0.03 0.00 0.00 56.01 55.04 2qrw n LEU 41 Cb 0.49 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 2qrw n LEU 41 CO 0.46 0.42 1.14 0.00 -1.33 0.00 0.00 177.39 178.07 2qrw h ALA 42 N 3.56 0.82 -0.38 -1.18 0.00 -1.98 -1.10 119.26 119.00 2qrw h ALA 42 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2qrw h ALA 42 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qrw h ALA 42 CO 0.00 0.26 -0.31 0.78 0.00 0.00 0.00 179.25 179.99 2qrw h GLY 43 N 0.87 0.96 1.01 0.00 0.00 -2.00 -1.83 103.07 102.08 2qrw h GLY 43 Ca 0.23 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 2qrw h GLY 43 CO -0.05 0.85 0.55 0.00 0.00 0.00 0.00 176.54 177.89 2qrw h ALA 44 N 0.78 1.12 -0.15 3.60 0.00 -1.79 -0.58 119.26 122.25 2qrw h ALA 44 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2qrw h ALA 44 Cb 0.89 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2qrw h ALA 44 CO 0.08 0.57 0.01 1.49 0.00 0.00 0.00 179.25 181.40 2qrw h GLU 45 N 1.21 0.26 -0.55 0.00 4.81 -1.07 -1.02 114.58 118.21 2qrw h GLU 45 Ca 0.32 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 2qrw h GLU 45 Cb -0.08 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 2qrw h GLU 45 CO -0.06 0.47 0.25 0.93 -0.73 0.00 0.00 179.01 179.86 2qrw h GLU 46 N 0.01 0.46 -0.35 1.92 4.39 -1.02 -1.38 114.58 118.61 2qrw h GLU 46 Ca 0.04 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2qrw h GLU 46 Cb 0.34 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2qrw h GLU 46 CO 0.01 0.31 -0.10 0.00 -1.16 0.00 0.00 179.01 178.06 2qrw h ARG 47 N 0.48 0.69 -0.35 2.33 3.08 -0.93 -1.80 114.38 117.88 2qrw h ARG 47 Ca 0.26 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2qrw h ARG 47 Cb 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2qrw h ARG 47 CO -0.21 0.86 0.18 1.25 -1.07 0.00 0.00 179.97 180.99 2qrw h LEU 48 N 0.48 0.45 -0.26 3.04 5.85 -1.13 -1.47 115.31 122.26 2qrw h LEU 48 Ca 0.09 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2qrw h LEU 48 Cb 0.62 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2qrw h LEU 48 CO 0.04 0.42 0.17 -0.09 -0.34 0.00 0.00 178.44 178.64 2qrw h ARG 49 N 0.44 0.34 -0.82 1.25 2.43 -1.19 -1.52 114.38 115.31 2qrw h ARG 49 Ca 0.12 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2qrw h ARG 49 Cb 0.08 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2qrw h ARG 49 CO -0.02 0.23 0.50 0.52 -1.51 0.00 0.00 179.97 179.69 2qrw h MET 50 N 0.35 1.10 -0.01 0.20 2.86 -1.22 0.13 114.93 118.34 2qrw h MET 50 Ca 0.10 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2qrw h MET 50 Cb -0.03 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 2qrw h MET 50 CO -0.03 0.77 -0.04 0.35 1.06 0.00 0.00 176.91 179.02 2qrw h PHE 51 N 1.12 -0.11 -0.63 -0.22 3.57 -1.03 -0.92 116.94 118.71 2qrw h PHE 51 Ca 0.29 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 2qrw h PHE 51 Cb -0.06 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2qrw h PHE 51 CO -0.01 -0.07 0.12 -0.07 -2.23 0.00 0.00 178.31 176.05 2qrw h LEU 52 N -0.08 0.96 -0.62 0.59 3.38 -0.93 0.18 115.31 118.79 2qrw h LEU 52 Ca 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2qrw h LEU 52 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2qrw h LEU 52 CO -0.05 0.94 0.39 -0.33 0.09 0.00 0.00 178.44 179.48 2qrw h GLU 53 N 0.95 0.84 -0.32 1.13 5.08 -0.81 -2.30 114.58 119.15 2qrw h GLU 53 Ca 0.20 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 2qrw h GLU 53 Cb 0.39 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2qrw h GLU 53 CO 0.01 0.58 -0.18 0.37 -1.00 0.00 0.00 179.01 178.79 2qrw h GLN 54 N 0.84 0.69 -0.86 2.33 4.15 -0.55 0.41 115.11 122.12 2qrw h GLN 54 Ca 0.23 -0.31 0.15 0.00 0.77 0.00 0.00 58.65 59.49 2qrw h GLN 54 Cb -0.05 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 27.53 2qrw h GLN 54 CO -0.04 0.91 0.45 -0.92 -1.93 0.00 0.00 178.83 177.29 2qrw h TYR 55 N 0.45 0.79 -0.46 3.99 5.03 -0.51 -1.34 116.97 124.92 2qrw h TYR 55 Ca 0.07 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.41 2qrw h TYR 55 Cb 0.71 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.77 2qrw h TYR 55 CO 0.06 0.18 0.00 0.91 -1.32 0.00 0.00 178.16 178.00 2qrw n TRP 56 N -4.86 0.61 0.00 -3.82 7.02 -0.88 -4.88 117.44 110.63 2qrw n TRP 56 Ca 0.17 -0.30 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 2qrw n TRP 56 Cb 0.44 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.33 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 1.28 1.16 0.00 6.99 0.00 -0.50 -1.36 105.19 112.76 2qrw n GLY 57 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.51 0.42 3.59 -0.02 0.00 0.14 -4.84 105.19 102.99 2qrw n GLY 58 Ca 0.00 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 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 0.92 -0.66 1.61 -0.02 -1.26 -4.60 135.00 130.98 2qrw n PRO 59 Ca 0.00 0.35 0.01 0.00 -2.02 0.00 0.00 63.50 61.84 2qrw n PRO 59 Cb 0.00 -2.09 0.26 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.70 3.41 -0.33 -0.52 1.74 -1.26 -3.62 116.66 115.37 2qrw n ARG 60 Ca 0.13 -2.17 0.10 0.00 -0.77 0.00 0.00 57.85 55.14 2qrw n ARG 60 Cb 0.46 -2.00 0.30 0.00 -1.02 0.00 0.00 32.46 30.20 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 2.42 0.86 0.19 0.55 2.02 -1.90 -1.73 112.91 115.32 2qrw h THR 61 Ca 0.07 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.97 2qrw h THR 61 Cb 1.66 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 2qrw h THR 61 CO 0.41 0.16 -0.45 0.22 0.37 0.00 0.00 175.52 176.23 2qrw h TYR 62 N 0.86 -1.27 0.00 3.16 3.20 -1.78 -1.05 116.97 120.09 2qrw h TYR 62 Ca 0.49 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.32 2qrw h TYR 62 Cb 0.63 0.53 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2qrw h TYR 62 CO -0.00 -0.56 -0.35 0.66 -1.64 0.00 0.00 178.16 176.27 2qrw h SER 63 N -0.73 0.00 -0.69 -2.11 4.64 -1.65 0.25 113.55 113.25 2qrw h SER 63 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2qrw h SER 63 Cb 0.73 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 2qrw h SER 63 CO -0.22 0.35 0.31 -0.33 -0.87 0.00 0.00 176.83 176.07 2qrw h GLU 64 N 0.00 1.04 0.00 4.77 5.08 -0.89 -0.09 114.58 124.48 2qrw h GLU 64 Ca -0.00 -0.16 -0.29 0.00 -1.00 0.00 0.00 59.36 57.90 2qrw h GLU 64 Cb 0.63 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2qrw h GLU 64 CO 0.05 0.83 -1.94 1.04 -1.00 0.00 0.00 179.01 177.99 2qrw n GLN 65 N -4.31 0.65 -0.00 2.33 6.02 -0.44 -4.63 117.38 117.00 2qrw n GLN 65 Ca 0.07 0.15 0.03 0.00 -0.01 0.00 0.00 57.00 57.24 2qrw n GLN 65 Cb 0.16 -1.68 -0.05 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 -2.88 2.43 0.00 -1.09 5.12 0.84 -5.10 116.66 115.98 2qrw n ARG 66 Ca -0.21 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.67 2qrw n ARG 66 Cb 1.04 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 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 1.65 -1.47 3.75 -0.13 0.00 -0.05 -4.88 105.19 104.06 2qrw n GLY 67 Ca -0.00 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 0.04 1.61 5.65 -1.26 -4.22 115.29 120.33 2qrw s HIS 68 Ca 0.00 1.36 -0.15 0.00 0.25 0.00 0.00 55.06 56.52 2qrw s HIS 68 Cb 0.00 -3.59 -0.07 0.00 -1.18 0.00 0.00 32.58 27.74 2qrw s HIS 68 CO 0.00 -1.70 1.23 -1.35 -0.65 0.00 0.00 174.74 172.28 2qrw h PRO 69 N 4.39 -0.36 -5.17 2.88 0.11 -1.97 -3.46 132.00 128.41 2qrw h PRO 69 Ca -0.47 0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.39 2qrw h PRO 69 Cb 1.22 0.08 0.15 0.00 0.11 0.00 0.00 31.00 32.56 2qrw h PRO 69 CO 0.71 -0.24 -0.67 0.54 -0.21 0.00 0.00 178.00 178.13 2qrw n ARG 70 N -3.67 -5.54 -0.22 1.05 1.74 -1.26 -4.84 116.66 103.92 2qrw n ARG 70 Ca -0.04 0.74 -0.08 0.00 -0.77 0.00 0.00 57.85 57.69 2qrw n ARG 70 Cb 0.18 -5.42 0.03 0.00 -1.02 0.00 0.00 32.46 26.23 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 -1.61 0.99 -0.31 0.55 3.38 -1.99 -1.84 115.31 114.49 2qrw h LEU 71 Ca -0.51 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.25 2qrw h LEU 71 Cb 1.29 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2qrw h LEU 71 CO 0.43 1.00 -0.03 -0.09 0.09 0.00 0.00 178.44 179.84 2qrw h ARG 72 N 0.95 0.05 -0.32 1.13 2.43 -1.96 -0.11 114.38 116.55 2qrw h ARG 72 Ca 0.19 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2qrw h ARG 72 Cb 0.42 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2qrw h ARG 72 CO 0.01 0.04 -0.14 0.52 -1.51 0.00 0.00 179.97 178.89 2qrw h MET 73 N 0.06 0.57 0.00 0.20 2.86 -1.87 -1.14 114.93 115.60 2qrw h MET 73 Ca 0.15 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 2qrw h MET 73 Cb 0.21 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2qrw h MET 73 CO -0.27 0.69 -0.53 0.00 1.06 0.00 0.00 176.91 177.86 2qrw h ARG 74 N 0.52 0.00 0.00 1.72 2.47 -0.83 -2.74 114.38 115.51 2qrw h ARG 74 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2qrw h ARG 74 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2qrw h ARG 74 CO 0.03 0.53 -0.34 0.72 0.56 0.00 0.00 179.97 181.47 2qrw n HIS 75 N -3.83 0.52 -0.17 3.04 8.25 -0.10 -4.43 115.22 118.50 2qrw n HIS 75 Ca -0.01 0.15 0.13 0.00 -0.26 0.00 0.00 57.72 57.73 2qrw n HIS 75 Cb 0.55 -0.66 0.46 0.00 1.12 0.00 0.00 29.99 31.46 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 2.65 2.00 0.00 -1.41 0.00 -0.89 -1.63 119.26 119.98 2qrw h ALA 76 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qrw h ALA 76 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qrw h ALA 76 CO 0.00 -0.18 0.00 -1.35 0.00 0.00 0.00 179.25 177.72 2qrw h PRO 77 N 0.51 0.00 -6.37 0.00 0.11 -1.77 -3.44 132.00 121.03 2qrw h PRO 77 Ca 0.36 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.79 2qrw h PRO 77 Cb 0.70 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.62 2qrw h PRO 77 CO -0.13 0.00 -0.74 -0.06 -0.21 0.00 0.00 178.00 176.86 2qrw s PHE 78 N -3.45 2.77 -0.74 0.65 0.40 -0.61 -5.06 117.98 111.93 2qrw s PHE 78 Ca 0.01 -0.11 -0.22 0.00 -0.60 0.00 0.00 56.93 56.01 2qrw s PHE 78 Cb 0.08 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 42.12 2qrw s PHE 78 CO 0.32 0.32 1.04 1.03 0.70 0.00 0.00 175.22 178.62 2qrw s ARG 79 N -1.33 3.25 -0.67 0.44 0.52 -1.26 -4.90 118.95 114.99 2qrw s ARG 79 Ca 0.16 -1.04 -0.15 0.00 -0.52 0.00 0.00 55.73 54.18 2qrw s ARG 79 Cb -0.11 -4.44 0.17 0.00 0.52 0.00 0.00 34.95 31.09 2qrw s ARG 79 CO 0.06 -1.84 0.63 0.42 0.02 0.00 0.00 175.30 174.59 2qrw s ILE 80 N 3.86 5.35 0.38 1.52 1.01 -1.26 -4.90 121.20 127.15 2qrw s ILE 80 Ca 0.26 -1.89 0.01 0.00 0.00 0.00 0.00 60.65 59.03 2qrw s ILE 80 Cb -0.13 -4.41 0.07 0.00 0.01 0.00 0.00 42.46 38.00 2qrw s ILE 80 CO 0.05 -0.96 0.52 -1.54 0.00 0.00 0.00 174.94 173.00 2qrw n SER 81 N 4.79 0.78 -0.17 3.58 3.41 -1.25 -0.83 113.62 123.93 2qrw n SER 81 Ca -0.01 -1.64 0.16 0.00 -0.26 0.00 0.00 58.87 57.12 2qrw n SER 81 Cb 0.43 -0.33 0.51 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.38 -0.22 1.04 3.38 -1.90 -1.95 115.31 116.04 2qrw h LEU 82 Ca -0.17 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2qrw h LEU 82 Cb 0.65 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2qrw h LEU 82 CO 0.19 0.19 0.01 0.40 0.09 0.00 0.00 178.44 179.32 2qrw h ILE 83 N 0.40 1.25 -0.63 1.22 2.04 -1.95 -0.44 117.51 119.39 2qrw h ILE 83 Ca 0.38 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2qrw h ILE 83 Cb 0.91 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 2qrw h ILE 83 CO -0.12 0.27 0.22 -0.33 0.00 0.00 0.00 178.15 178.18 2qrw h GLU 84 N 0.15 0.96 -0.26 2.37 3.07 -1.82 -1.59 114.58 117.46 2qrw h GLU 84 Ca 0.06 -0.19 0.04 0.00 -0.50 0.00 0.00 59.36 58.77 2qrw h GLU 84 Cb 0.39 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 2qrw h GLU 84 CO 0.01 0.84 0.02 -0.09 -1.40 0.00 0.00 179.01 178.39 2qrw h ARG 85 N 0.89 0.10 -0.66 2.33 2.43 -1.22 0.30 114.38 118.55 2qrw h ARG 85 Ca 0.21 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2qrw h ARG 85 Cb 0.26 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2qrw h ARG 85 CO -0.01 0.07 0.19 -0.44 -1.51 0.00 0.00 179.97 178.27 2qrw h ASP 86 N 0.11 0.95 -0.41 -3.80 3.32 -0.96 -1.48 116.42 114.15 2qrw h ASP 86 Ca 0.12 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 2qrw h ASP 86 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2qrw h ASP 86 CO -0.19 0.90 -0.08 0.00 -1.72 0.00 0.00 179.24 178.14 2qrw h ALA 87 N 1.23 0.56 -0.17 3.45 0.00 -0.96 -0.64 119.26 122.72 2qrw h ALA 87 Ca 0.21 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2qrw h ALA 87 Cb 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2qrw h ALA 87 CO -0.01 0.42 -0.09 0.35 0.00 0.00 0.00 179.25 179.93 2qrw h PHE 88 N 0.59 -0.20 -0.50 0.00 3.57 -0.74 -1.19 116.94 118.48 2qrw h PHE 88 Ca 0.10 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 2qrw h PHE 88 Cb 0.60 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2qrw h PHE 88 CO 0.05 -0.13 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.79 2qrw h LEU 89 N -0.07 0.94 -0.34 0.59 3.38 -1.13 -0.45 115.31 118.23 2qrw h LEU 89 Ca 0.09 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2qrw h LEU 89 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2qrw h LEU 89 CO -0.21 1.07 0.20 -0.09 0.09 0.00 0.00 178.44 179.50 2qrw h ARG 90 N 0.83 0.39 -0.83 1.13 2.43 -0.95 0.21 114.38 117.61 2qrw h ARG 90 Ca 0.13 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2qrw h ARG 90 Cb 0.68 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 2qrw h ARG 90 CO 0.05 0.26 0.41 0.00 -1.51 0.00 0.00 179.97 179.18 2qrw h MET 92 N 1.17 0.50 -0.57 0.00 2.86 -0.81 -0.99 114.93 117.08 2qrw h MET 92 Ca 0.29 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2qrw h MET 92 Cb 0.10 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 2qrw h MET 92 CO -0.04 0.55 0.35 0.45 1.06 0.00 0.00 176.91 179.28 2qrw h HIS 93 N 0.35 0.66 -0.78 -0.22 -0.00 -0.36 0.42 115.15 115.22 2qrw h HIS 93 Ca 0.10 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.46 2qrw h HIS 93 Cb 0.27 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.43 2qrw h HIS 93 CO 0.01 0.38 0.36 1.15 -0.00 0.00 0.00 177.93 179.84 2qrw h THR 94 N 0.70 1.25 -0.28 2.45 2.02 -1.00 0.02 112.91 118.06 2qrw h THR 94 Ca 0.22 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 2qrw h THR 94 Cb -0.00 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2qrw h THR 94 CO -0.09 0.30 -0.13 0.00 0.37 0.00 0.00 175.52 175.97 2qrw h ALA 95 N 1.28 0.39 -0.66 6.16 0.00 -0.65 -3.00 119.26 122.78 2qrw h ALA 95 Ca 0.27 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2qrw h ALA 95 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2qrw h ALA 95 CO -0.03 0.27 0.27 0.28 0.00 0.00 0.00 179.25 180.03 2qrw h VAL 96 N 0.32 1.23 -0.00 0.00 2.07 -0.71 -2.15 116.25 117.00 2qrw h VAL 96 Ca 0.06 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2qrw h VAL 96 Cb 0.65 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2qrw h VAL 96 CO 0.04 0.28 0.01 0.00 0.02 0.00 0.00 177.57 177.92 2qrw h ALA 97 N 1.35 1.17 0.00 1.67 0.00 -0.86 -0.76 119.26 121.84 2qrw h ALA 97 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qrw h ALA 97 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qrw h ALA 97 CO -0.02 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 2qrw n SER 98 N -3.32 0.26 -4.74 0.00 3.41 -0.81 -4.77 113.62 103.66 2qrw n SER 98 Ca -0.03 0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 58.73 2qrw n SER 98 Cb 0.08 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.38 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 -3.05 5.06 0.76 -1.33 -1.09 -0.29 -5.06 121.20 116.19 2qrw s ILE 99 Ca 0.11 1.15 -0.11 0.00 -2.23 0.00 0.00 60.65 59.57 2qrw s ILE 99 Cb 0.15 -3.90 0.05 0.00 -1.58 0.00 0.00 42.46 37.18 2qrw s ILE 99 CO 0.50 0.35 1.08 1.51 -1.23 0.00 0.00 174.94 177.16 2qrw s ASP 100 N 0.30 4.85 0.45 3.58 3.84 -1.26 -4.84 116.67 123.59 2qrw s ASP 100 Ca 0.30 1.41 0.25 0.00 -0.00 0.00 0.00 52.55 54.51 2qrw s ASP 100 Cb -0.17 -2.20 0.53 0.00 -1.38 0.00 0.00 42.92 39.71 2qrw s ASP 100 CO 0.14 -1.76 1.68 0.77 -0.00 0.00 0.00 175.17 176.01 2qrw h SER 101 N -0.94 0.00 -0.38 2.11 4.64 -1.98 -1.17 113.55 115.84 2qrw h SER 101 Ca -0.46 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.75 2qrw h SER 101 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2qrw h SER 101 CO 0.59 0.03 -0.17 -0.33 -0.87 0.00 0.00 176.83 176.08 2qrw h GLU 102 N 0.00 0.85 0.03 4.77 5.08 -1.98 -3.05 114.58 120.28 2qrw h GLU 102 Ca -0.00 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2qrw h GLU 102 Cb 0.92 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2qrw h GLU 102 CO 0.00 0.96 -0.02 1.15 -1.00 0.00 0.00 179.01 180.10 2qrw h THR 103 N 0.75 1.39 -3.56 1.13 2.02 -1.85 -3.41 112.91 109.38 2qrw h THR 103 Ca 0.11 -1.59 -0.66 0.00 0.77 0.00 0.00 66.41 65.04 2qrw h THR 103 Cb 0.69 2.42 -0.40 0.00 -1.74 0.00 0.00 68.15 69.12 2qrw h THR 103 CO 0.05 0.39 -0.66 -0.22 0.37 0.00 0.00 175.52 175.46 2qrw s LEU 104 N -8.78 4.69 1.01 2.58 0.20 -0.47 -4.51 118.68 113.40 2qrw s LEU 104 Ca -0.16 -2.46 -0.15 0.00 0.69 0.00 0.00 54.13 52.05 2qrw s LEU 104 Cb -0.00 -1.66 0.19 0.00 -0.43 0.00 0.00 46.19 44.29 2qrw s LEU 104 CO 0.62 -0.35 1.16 1.51 -0.29 0.00 0.00 176.35 179.01 2qrw s ASP 105 N 0.59 2.67 0.24 3.68 1.47 -1.15 -4.24 116.67 119.92 2qrw s ASP 105 Ca 0.13 0.76 -0.06 0.00 1.18 0.00 0.00 52.55 54.56 2qrw s ASP 105 Cb -0.22 -1.15 0.29 0.00 -0.34 0.00 0.00 42.92 41.50 2qrw s ASP 105 CO -0.05 -3.06 1.88 0.44 0.68 0.00 0.00 175.17 175.07 2qrw h ASP 106 N -1.85 0.95 -0.20 2.11 3.45 -1.99 -0.00 116.42 118.89 2qrw h ASP 106 Ca -0.48 -0.00 -0.11 0.00 0.43 0.00 0.00 57.03 56.86 2qrw h ASP 106 Cb 1.30 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.86 2qrw h ASP 106 CO 0.50 0.64 -0.32 -0.33 -1.57 0.00 0.00 179.24 178.16 2qrw h GLU 107 N 1.10 0.57 -0.17 3.56 3.07 -1.99 -1.78 114.58 118.93 2qrw h GLU 107 Ca 0.36 -0.34 -0.12 0.00 -0.50 0.00 0.00 59.36 58.76 2qrw h GLU 107 Cb 0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2qrw h GLU 107 CO -0.13 0.95 -0.41 0.45 -1.40 0.00 0.00 179.01 178.47 2qrw h HIS 108 N 0.24 0.47 -0.16 4.33 3.86 -1.86 -1.20 115.15 120.82 2qrw h HIS 108 Ca 0.02 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2qrw h HIS 108 Cb 0.90 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 2qrw h HIS 108 CO 0.09 0.75 0.10 -0.09 0.86 0.00 0.00 177.93 179.64 2qrw h ARG 109 N 0.33 0.22 -0.49 2.45 2.43 -0.96 -1.03 114.38 117.33 2qrw h ARG 109 Ca 0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2qrw h ARG 109 Cb 0.87 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 2qrw h ARG 109 CO 0.07 0.18 0.18 -0.09 -1.51 0.00 0.00 179.97 178.80 2qrw h ARG 110 N 0.20 0.74 -0.71 0.20 2.43 -1.21 -1.00 114.38 115.02 2qrw h ARG 110 Ca 0.06 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2qrw h ARG 110 Cb 0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2qrw h ARG 110 CO -0.01 0.67 0.42 1.49 -1.51 0.00 0.00 179.97 181.02 2qrw h GLU 111 N 0.65 0.97 -0.16 0.20 4.81 -1.06 0.69 114.58 120.67 2qrw h GLU 111 Ca 0.16 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2qrw h GLU 111 Cb 0.21 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2qrw h GLU 111 CO -0.01 0.69 -0.00 1.25 -0.73 0.00 0.00 179.01 180.21 2qrw h LEU 112 N 0.97 0.28 -0.56 1.64 5.85 -0.97 -1.70 115.31 120.83 2qrw h LEU 112 Ca 0.25 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 2qrw h LEU 112 Cb -0.02 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2qrw h LEU 112 CO -0.05 0.53 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.50 2qrw h LEU 113 N 0.03 0.98 -0.59 2.25 3.38 -1.01 -1.41 115.31 118.94 2qrw h LEU 113 Ca 0.05 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.77 2qrw h LEU 113 Cb 0.39 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2qrw h LEU 113 CO 0.01 1.05 0.27 0.44 0.09 0.00 0.00 178.44 180.30 2qrw h ASP 114 N 0.87 0.35 0.15 -0.43 3.32 -0.85 -0.97 116.42 118.86 2qrw h ASP 114 Ca 0.16 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2qrw h ASP 114 Cb 0.56 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2qrw h ASP 114 CO 0.03 0.22 -0.07 0.22 -1.72 0.00 0.00 179.24 177.92 2qrw h TYR 115 N 0.50 -0.18 -0.95 4.55 5.03 -1.03 -2.23 116.97 122.65 2qrw h TYR 115 Ca 0.28 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.63 2qrw h TYR 115 Cb 0.26 0.06 -0.06 0.00 1.55 0.00 0.00 36.73 38.54 2qrw h TYR 115 CO -0.12 -0.04 0.61 -0.07 -1.32 0.00 0.00 178.16 177.22 2qrw h LEU 116 N -0.28 1.00 0.29 2.82 3.38 -1.07 0.37 115.31 121.82 2qrw h LEU 116 Ca -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2qrw h LEU 116 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qrw h LEU 116 CO 0.03 0.67 -0.14 -0.08 0.09 0.00 0.00 178.44 179.01 2qrw h GLU 117 N 1.16 -0.37 -0.60 1.13 4.81 -1.10 -0.63 114.58 118.98 2qrw h GLU 117 Ca 0.39 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2qrw h GLU 117 Cb 0.07 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2qrw h GLU 117 CO -0.14 -0.18 0.36 1.98 -0.73 0.00 0.00 179.01 180.30 2qrw h MET 118 N -0.48 0.81 -0.52 1.92 4.05 -1.11 -2.16 114.93 117.43 2qrw h MET 118 Ca -0.04 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 2qrw h MET 118 Cb 0.36 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2qrw h MET 118 CO 0.06 0.58 0.26 0.00 0.23 0.00 0.00 176.91 178.04 2qrw h ALA 119 N 1.19 0.67 -0.18 0.39 0.00 -0.87 -1.92 119.26 118.54 2qrw h ALA 119 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2qrw h ALA 119 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qrw h ALA 119 CO -0.04 0.22 0.04 0.00 0.00 0.00 0.00 179.25 179.47 2qrw h ALA 120 N 1.09 0.23 -0.78 0.00 0.00 -0.93 -2.28 119.26 116.59 2qrw h ALA 120 Ca 0.18 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.07 2qrw h ALA 120 Cb 0.11 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 2qrw h ALA 120 CO -0.02 -0.12 0.35 0.45 0.00 0.00 0.00 179.25 179.91 2qrw h HIS 121 N 0.09 0.60 0.00 0.00 3.86 -1.41 -1.89 115.15 116.40 2qrw h HIS 121 Ca 0.05 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2qrw h HIS 121 Cb 0.28 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2qrw h HIS 121 CO 0.01 0.11 0.00 0.43 0.86 0.00 0.00 177.93 179.34 2qrw n SER 122 N -4.95 0.65 -0.61 2.45 7.64 -0.72 -2.44 113.62 115.64 2qrw n SER 122 Ca 0.15 0.70 0.11 0.00 1.01 0.00 0.00 58.87 60.84 2qrw n SER 122 Cb 0.41 -0.82 0.02 0.00 -1.01 0.00 0.00 64.21 62.82 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 -2.26 2.26 -4.69 -3.43 4.77 -0.72 -4.94 117.00 107.99 2qrw n LEU 123 Ca 0.01 -0.83 -0.44 0.00 -0.03 0.00 0.00 56.01 54.72 2qrw n LEU 123 Cb 0.17 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 2qrw n LEU 123 CO 0.17 0.41 1.30 0.52 -1.33 0.00 0.00 177.39 178.45 2qrw n VAL 124 N 0.36 0.02 -1.83 4.08 0.31 -1.02 -4.84 118.33 115.40 2qrw n VAL 124 Ca 0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2qrw n VAL 124 Cb 0.49 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 3.80 0.00 -3.66 4.52 2.04 -0.01 -5.04 115.26 116.91 2qrw n ASN 125 Ca 0.17 -1.80 -0.14 0.00 -0.44 0.00 0.00 54.58 52.36 2qrw n ASN 125 Cb 0.32 -0.16 -0.08 0.00 -2.53 0.00 0.00 39.78 37.33 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 -0.80 -0.59 0.05 0.53 0.15 -1.01 -4.75 113.70 107.28 2qrw s SER 126 Ca 0.00 1.06 0.25 0.00 0.70 0.00 0.00 55.95 57.96 2qrw s SER 126 Cb 0.00 1.07 1.01 0.00 -1.71 0.00 0.00 66.02 66.39 2qrw s SER 126 CO 0.00 -0.26 1.79 -0.81 1.20 0.00 0.00 173.24 175.16 2qrw n PRO 127 N 2.48 0.06 0.00 5.44 -0.04 -1.26 -3.84 135.00 137.83 2qrw n PRO 127 Ca -0.15 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2qrw n PRO 127 Cb 0.56 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 2qrw n PRO 127 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43