#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrw s LYS 3 N 0.00 1.74 0.79 -0.52 -2.85 -1.26 -5.00 119.74 112.64 2qrw s LYS 3 Ca 0.00 1.32 -0.13 0.00 -1.00 0.00 0.00 55.97 56.16 2qrw s LYS 3 Cb 0.00 -1.83 0.07 0.00 -2.06 0.00 0.00 37.83 34.02 2qrw s LYS 3 CO 0.00 -2.05 1.17 -1.54 0.10 0.00 0.00 175.35 173.03 2qrw s SER 4 N -3.10 3.86 0.26 0.03 1.04 -1.26 -4.80 113.70 109.72 2qrw s SER 4 Ca 0.63 2.23 -0.02 0.00 0.48 0.00 0.00 55.95 59.27 2qrw s SER 4 Cb -0.19 -2.57 0.53 0.00 0.10 0.00 0.00 66.02 63.89 2qrw s SER 4 CO 0.57 -2.48 1.70 0.15 0.98 0.00 0.00 173.24 174.16 2qrw h PHE 5 N -0.88 0.44 -0.13 5.02 3.57 -1.95 -0.18 116.94 122.83 2qrw h PHE 5 Ca -0.46 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.13 2qrw h PHE 5 Cb 1.28 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 2qrw h PHE 5 CO 0.50 -0.03 -0.28 -0.92 -2.23 0.00 0.00 178.31 175.34 2qrw h TYR 6 N 0.36 -0.77 -0.52 0.41 3.20 -1.69 -1.77 116.97 116.18 2qrw h TYR 6 Ca 0.45 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.29 2qrw h TYR 6 Cb 0.78 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 2qrw h TYR 6 CO -0.20 -0.36 0.04 -0.44 -1.64 0.00 0.00 178.16 175.56 2qrw h ASP 7 N -0.35 0.82 -0.08 -2.11 3.32 -1.74 0.27 116.42 116.54 2qrw h ASP 7 Ca 0.10 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2qrw h ASP 7 Cb 0.51 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2qrw h ASP 7 CO -0.33 0.85 0.01 0.00 -1.72 0.00 0.00 179.24 178.05 2qrw h ALA 8 N 1.24 1.75 -0.46 3.45 0.00 -0.28 -2.75 119.26 122.21 2qrw h ALA 8 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qrw h ALA 8 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qrw h ALA 8 CO 0.01 0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.79 2qrw n VAL 9 N -4.42 0.60 0.00 0.00 0.24 -0.74 -4.88 118.33 109.13 2qrw n VAL 9 Ca -0.01 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 2qrw n VAL 9 Cb 0.15 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 1.51 1.01 7.00 7.63 0.00 -1.04 -4.62 105.19 116.68 2qrw n GLY 10 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.94 2.86 0.31 -0.02 0.00 0.94 -3.24 105.19 104.10 2qrw n GLY 11 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.64 1.11 -0.34 4.61 0.00 -1.96 -1.04 119.26 121.00 2qrw h ALA 12 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qrw h ALA 12 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qrw h ALA 12 CO 0.00 0.29 0.21 -0.22 0.00 0.00 0.00 179.25 179.52 2qrw h LYS 13 N 0.97 0.41 -0.23 0.00 3.64 -1.96 -0.10 116.57 119.30 2qrw h LYS 13 Ca 0.35 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2qrw h LYS 13 Cb 0.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2qrw h LYS 13 CO -0.15 0.27 0.09 1.15 -2.27 0.00 0.00 179.45 178.54 2qrw h THR 14 N 0.42 1.17 -0.31 1.00 2.02 -1.39 -1.84 112.91 113.98 2qrw h THR 14 Ca 0.13 -0.52 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 2qrw h THR 14 Cb -0.01 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2qrw h THR 14 CO -0.05 0.17 -0.14 -0.26 0.37 0.00 0.00 175.52 175.61 2qrw h PHE 15 N 0.22 0.58 -0.49 3.16 -1.00 -1.06 -0.67 116.94 117.68 2qrw h PHE 15 Ca 0.08 -0.10 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 2qrw h PHE 15 Cb 0.19 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 2qrw h PHE 15 CO -0.01 0.66 0.04 0.22 -1.61 0.00 0.00 178.31 177.61 2qrw h ASP 16 N 0.49 0.81 -0.16 2.17 1.82 -0.99 -0.95 116.42 119.62 2qrw h ASP 16 Ca 0.09 -0.28 0.01 0.00 -0.39 0.00 0.00 57.03 56.45 2qrw h ASP 16 Cb 0.53 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 2qrw h ASP 16 CO 0.03 0.89 0.09 0.00 -1.61 0.00 0.00 179.24 178.64 2qrw h ALA 17 N 0.95 0.19 0.16 -0.78 0.00 -0.97 -0.13 119.26 118.68 2qrw h ALA 17 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2qrw h ALA 17 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qrw h ALA 17 CO 0.02 -0.34 -0.08 0.82 0.00 0.00 0.00 179.25 179.67 2qrw h ILE 18 N 0.19 0.90 -0.17 0.00 2.04 -1.08 -2.16 117.51 117.23 2qrw h ILE 18 Ca 0.06 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 2qrw h ILE 18 Cb -0.01 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2qrw h ILE 18 CO -0.03 0.07 -0.52 0.58 0.00 0.00 0.00 178.15 178.25 2qrw h VAL 19 N -0.36 1.33 -0.67 1.67 2.07 -1.15 0.60 116.25 119.75 2qrw h VAL 19 Ca -0.02 -1.76 -0.08 0.00 0.82 0.00 0.00 66.70 65.66 2qrw h VAL 19 Cb 0.28 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2qrw h VAL 19 CO 0.04 0.54 0.10 0.77 0.02 0.00 0.00 177.57 179.04 2qrw h SER 20 N 0.38 1.07 -0.03 0.57 4.64 -1.04 0.15 113.55 119.29 2qrw h SER 20 Ca 0.01 -0.27 -0.18 0.00 -0.47 0.00 0.00 61.79 60.89 2qrw h SER 20 Cb 1.04 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2qrw h SER 20 CO 0.09 1.06 -0.59 0.03 -0.87 0.00 0.00 176.83 176.56 2qrw h ARG 21 N 1.03 0.64 0.07 4.77 3.08 -1.21 -0.93 114.38 121.83 2qrw h ARG 21 Ca 0.20 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.85 2qrw h ARG 21 Cb 0.46 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2qrw h ARG 21 CO 0.02 1.04 -0.23 0.35 -1.07 0.00 0.00 179.97 180.08 2qrw h PHE 22 N 0.48 -0.61 0.00 3.04 3.57 -0.71 -2.65 116.94 120.06 2qrw h PHE 22 Ca -0.00 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2qrw h PHE 22 Cb 1.16 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 2qrw h PHE 22 CO 0.06 -0.32 -0.36 1.88 -2.23 0.00 0.00 178.31 177.33 2qrw h TYR 23 N -0.40 0.00 -0.70 0.41 0.05 -0.85 -1.55 116.97 113.94 2qrw h TYR 23 Ca 0.04 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 2qrw h TYR 23 Cb 0.44 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 2qrw h TYR 23 CO -0.24 0.36 0.32 0.00 -1.05 0.00 0.00 178.16 177.55 2qrw h ALA 24 N 1.64 1.24 -0.23 3.88 0.00 -1.12 -2.50 119.26 122.17 2qrw h ALA 24 Ca -0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 2qrw h ALA 24 Cb 0.82 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qrw h ALA 24 CO 0.05 0.57 -0.61 1.96 0.00 0.00 0.00 179.25 181.22 2qrw h GLN 25 N 1.00 0.78 -0.86 0.00 4.20 -0.94 -3.22 115.11 116.07 2qrw h GLN 25 Ca 0.24 -0.53 0.12 0.00 0.06 0.00 0.00 58.65 58.54 2qrw h GLN 25 Cb 0.13 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 2qrw h GLN 25 CO -0.03 1.15 0.47 0.28 -0.67 0.00 0.00 178.83 180.04 2qrw h VAL 26 N 0.58 0.83 -0.24 -0.54 2.07 -1.10 -1.34 116.25 116.50 2qrw h VAL 26 Ca -0.00 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2qrw h VAL 26 Cb 1.21 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2qrw h VAL 26 CO 0.13 0.13 0.17 0.00 0.02 0.00 0.00 177.57 178.03 2qrw h ALA 27 N 1.51 2.23 -0.07 1.67 0.00 -1.46 -1.64 119.26 121.50 2qrw h ALA 27 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2qrw h ALA 27 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qrw h ALA 27 CO -0.30 -0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.04 2qrw n GLU 28 N -4.46 1.75 -3.16 0.00 -0.58 -0.58 -4.87 120.64 108.74 2qrw n GLU 28 Ca 0.03 -1.70 -0.43 0.00 -0.42 0.00 0.00 57.16 54.64 2qrw n GLU 28 Cb 0.33 -1.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.56 6.31 0.20 1.62 3.68 -0.62 -4.95 116.67 121.35 2qrw s ASP 29 Ca 0.24 -0.32 -0.11 0.00 2.13 0.00 0.00 52.55 54.49 2qrw s ASP 29 Cb 0.16 -2.30 0.24 0.00 -1.45 0.00 0.00 42.92 39.58 2qrw s ASP 29 CO 0.24 -0.69 1.73 -0.33 0.13 0.00 0.00 175.17 176.24 2qrw h GLU 30 N 8.77 0.30 -0.20 4.34 4.39 -1.91 0.43 114.58 130.69 2qrw h GLU 30 Ca -0.26 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.45 2qrw h GLU 30 Cb 1.10 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 2qrw h GLU 30 CO 0.86 0.20 0.02 0.28 -1.16 0.00 0.00 179.01 179.20 2qrw h VAL 31 N 0.31 0.88 0.05 3.13 2.07 -1.93 -2.69 116.25 118.06 2qrw h VAL 31 Ca 0.28 -0.03 -0.23 0.00 0.82 0.00 0.00 66.70 67.54 2qrw h VAL 31 Cb 0.38 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2qrw h VAL 31 CO -0.33 0.02 -1.09 -0.07 0.02 0.00 0.00 177.57 176.12 2qrw h LEU 32 N 0.09 0.18 -1.61 2.57 3.38 -1.65 -3.04 115.31 115.24 2qrw h LEU 32 Ca 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2qrw h LEU 32 Cb 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2qrw h LEU 32 CO -0.15 1.14 0.25 -0.09 0.09 0.00 0.00 178.44 179.68 2qrw h ARG 33 N 0.04 0.51 -0.01 1.13 2.43 -0.11 -1.01 114.38 117.35 2qrw h ARG 33 Ca -0.06 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 58.88 2qrw h ARG 33 Cb 1.83 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.26 2qrw h ARG 33 CO 0.16 0.35 -0.84 0.00 -1.51 0.00 0.00 179.97 178.12 2qrw h ARG 34 N 0.52 0.24 0.21 0.20 3.08 -1.37 -3.33 114.38 113.93 2qrw h ARG 34 Ca 0.14 -0.25 -0.34 0.00 0.07 0.00 0.00 59.98 59.61 2qrw h ARG 34 Cb -0.05 0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.09 2qrw h ARG 34 CO -0.03 0.95 -1.57 -0.24 -1.07 0.00 0.00 179.97 178.01 2qrw h VAL 35 N 0.14 1.16 -2.94 2.04 3.04 -1.33 -3.45 116.25 114.92 2qrw h VAL 35 Ca -0.04 -2.68 -0.53 0.00 -1.01 0.00 0.00 66.70 62.44 2qrw h VAL 35 Cb 1.45 2.91 0.02 0.00 -2.01 0.00 0.00 31.29 33.66 2qrw h VAL 35 CO 0.13 0.84 0.78 -0.31 -1.01 0.00 0.00 177.57 178.00 2qrw s TYR 36 N -2.60 3.07 0.15 3.17 1.51 -0.44 -4.94 117.35 117.28 2qrw s TYR 36 Ca -0.11 0.85 -0.03 0.00 -1.01 0.00 0.00 57.07 56.76 2qrw s TYR 36 Cb 0.05 -3.72 -0.03 0.00 -0.11 0.00 0.00 41.96 38.15 2qrw s TYR 36 CO 0.90 -2.60 1.36 -1.00 -1.11 0.00 0.00 175.55 173.10 2qrw h PRO 37 N 7.16 0.41 -6.39 -1.71 0.13 -1.87 -3.47 132.00 126.26 2qrw h PRO 37 Ca -0.41 -0.39 -0.55 0.00 -0.87 0.00 0.00 66.00 63.78 2qrw h PRO 37 Cb 1.20 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2qrw h PRO 37 CO 0.88 1.05 -0.12 -1.21 -0.23 0.00 0.00 178.00 178.37 2qrw s GLU 38 N -3.41 3.83 0.15 0.86 0.41 -1.26 -4.97 118.70 114.31 2qrw s GLU 38 Ca -0.06 0.30 -0.14 0.00 -0.41 0.00 0.00 54.97 54.66 2qrw s GLU 38 Cb 0.09 -2.73 0.03 0.00 -1.78 0.00 0.00 34.13 29.75 2qrw s GLU 38 CO 0.86 0.37 1.68 -0.44 -0.49 0.00 0.00 175.26 177.23 2qrw h ASP 39 N 2.81 0.70 -3.53 -0.19 3.32 -1.98 -3.39 116.42 114.17 2qrw h ASP 39 Ca -0.47 -0.20 -0.65 0.00 0.02 0.00 0.00 57.03 55.73 2qrw h ASP 39 Cb 1.17 -0.18 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 2qrw h ASP 39 CO 0.68 0.72 0.20 -0.62 -1.72 0.00 0.00 179.24 178.50 2qrw s ASP 40 N -6.04 6.33 0.00 6.45 -1.08 -1.26 -4.92 116.67 116.15 2qrw s ASP 40 Ca -0.13 -0.36 0.15 0.00 -0.52 0.00 0.00 52.55 51.69 2qrw s ASP 40 Cb 0.11 -2.34 0.68 0.00 -1.46 0.00 0.00 42.92 39.91 2qrw s ASP 40 CO 0.78 -0.86 1.47 0.18 0.52 0.00 0.00 175.17 177.26 2qrw n LEU 41 N 6.45 0.93 -0.25 -1.34 4.77 -1.26 -4.26 117.00 122.03 2qrw n LEU 41 Ca -0.01 -0.41 0.01 0.00 -0.03 0.00 0.00 56.01 55.57 2qrw n LEU 41 Cb 0.48 -0.08 0.13 0.00 -2.33 0.00 0.00 43.42 41.62 2qrw n LEU 41 CO 0.56 0.21 1.09 0.00 -1.33 0.00 0.00 177.39 177.91 2qrw h ALA 42 N 3.68 1.00 -0.30 -1.18 0.00 -1.96 -1.41 119.26 119.08 2qrw h ALA 42 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2qrw h ALA 42 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qrw h ALA 42 CO 0.00 0.01 -0.28 0.78 0.00 0.00 0.00 179.25 179.76 2qrw h GLY 43 N 0.66 0.79 1.01 0.00 0.00 -2.00 -1.58 103.07 101.95 2qrw h GLY 43 Ca 0.35 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2qrw h GLY 43 CO -0.24 0.72 0.43 0.00 0.00 0.00 0.00 176.54 177.45 2qrw h ALA 44 N 0.72 0.99 -0.07 3.60 0.00 -1.80 -0.94 119.26 121.76 2qrw h ALA 44 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qrw h ALA 44 Cb 0.85 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qrw h ALA 44 CO 0.07 0.49 0.04 1.49 0.00 0.00 0.00 179.25 181.34 2qrw h GLU 45 N 1.07 0.10 -0.72 0.00 4.81 -1.17 -1.22 114.58 117.45 2qrw h GLU 45 Ca 0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2qrw h GLU 45 Cb 0.02 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2qrw h GLU 45 CO -0.05 0.14 0.45 1.49 -0.73 0.00 0.00 179.01 180.31 2qrw h GLU 46 N 0.04 0.96 -0.32 1.92 4.81 -1.04 -0.63 114.58 120.32 2qrw h GLU 46 Ca 0.03 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 2qrw h GLU 46 Cb 0.07 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2qrw h GLU 46 CO -0.00 0.66 -0.31 0.00 -0.73 0.00 0.00 179.01 178.63 2qrw h ARG 47 N 0.98 0.78 -0.42 1.92 3.08 -1.01 -1.10 114.38 118.59 2qrw h ARG 47 Ca 0.26 -0.41 0.02 0.00 0.07 0.00 0.00 59.98 59.92 2qrw h ARG 47 Cb -0.07 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 2qrw h ARG 47 CO -0.05 1.03 0.25 1.25 -1.07 0.00 0.00 179.97 181.39 2qrw h LEU 48 N 0.55 0.41 -0.21 3.04 5.85 -1.13 -1.22 115.31 122.60 2qrw h LEU 48 Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2qrw h LEU 48 Cb 0.89 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2qrw h LEU 48 CO 0.08 0.30 0.13 -0.09 -0.34 0.00 0.00 178.44 178.52 2qrw h ARG 49 N 0.51 0.29 -1.00 1.25 2.43 -1.00 -1.50 114.38 115.36 2qrw h ARG 49 Ca 0.17 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2qrw h ARG 49 Cb -0.00 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 2qrw h ARG 49 CO -0.07 0.23 0.66 0.52 -1.51 0.00 0.00 179.97 179.80 2qrw h MET 50 N 0.27 1.26 -0.04 0.20 2.86 -1.07 -0.27 114.93 118.15 2qrw h MET 50 Ca 0.08 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qrw h MET 50 Cb 0.01 -0.29 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 2qrw h MET 50 CO -0.01 0.84 0.02 0.35 1.06 0.00 0.00 176.91 179.16 2qrw h PHE 51 N 1.30 0.06 -0.71 -0.22 3.57 -0.86 -1.76 116.94 118.32 2qrw h PHE 51 Ca 0.39 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 2qrw h PHE 51 Cb -0.06 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2qrw h PHE 51 CO -0.00 0.19 0.36 -0.07 -2.23 0.00 0.00 178.31 176.56 2qrw h LEU 52 N -0.09 0.91 -0.59 0.59 3.38 -0.94 0.13 115.31 118.70 2qrw h LEU 52 Ca 0.01 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2qrw h LEU 52 Cb 0.15 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2qrw h LEU 52 CO -0.00 0.77 0.33 -0.33 0.09 0.00 0.00 178.44 179.30 2qrw h GLU 53 N 0.98 0.61 -0.17 1.13 5.08 -0.97 -2.15 114.58 119.09 2qrw h GLU 53 Ca 0.25 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 2qrw h GLU 53 Cb 0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2qrw h GLU 53 CO -0.03 0.40 -0.39 0.37 -1.00 0.00 0.00 179.01 178.36 2qrw h GLN 54 N 0.63 0.57 -0.71 2.33 4.15 -0.73 0.29 115.11 121.65 2qrw h GLN 54 Ca 0.26 -0.38 0.13 0.00 0.77 0.00 0.00 58.65 59.43 2qrw h GLN 54 Cb 0.12 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.77 2qrw h GLN 54 CO -0.15 1.00 0.24 -0.92 -1.93 0.00 0.00 178.83 177.07 2qrw h TYR 55 N 0.23 0.40 -0.16 3.99 5.03 -0.57 -1.30 116.97 124.60 2qrw h TYR 55 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2qrw h TYR 55 Cb 1.00 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.21 2qrw h TYR 55 CO 0.09 0.02 0.00 0.91 -1.32 0.00 0.00 178.16 177.87 2qrw n TRP 56 N -5.05 0.20 0.00 -3.82 7.02 -0.82 -4.86 117.44 110.11 2qrw n TRP 56 Ca 0.13 -0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2qrw n TRP 56 Cb 0.39 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 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 1.02 1.20 0.00 6.99 0.00 -0.49 -1.81 105.19 112.10 2qrw n GLY 57 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2qrw n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrw n GLY 58 N -1.09 0.67 3.56 -0.02 0.00 0.10 -4.87 105.19 103.54 2qrw n GLY 58 Ca 0.00 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 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 0.57 -0.80 1.61 -0.02 -1.26 -4.61 135.00 130.48 2qrw n PRO 59 Ca 0.00 0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.64 2qrw n PRO 59 Cb 0.00 -2.05 0.20 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.14 2.76 -0.15 -0.52 3.00 -1.26 -3.60 116.66 115.76 2qrw n ARG 60 Ca 0.12 -2.26 0.02 0.00 -0.01 0.00 0.00 57.85 55.72 2qrw n ARG 60 Cb 0.49 -1.95 0.30 0.00 0.00 0.00 0.00 32.46 31.29 2qrw n ARG 60 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2qrw h THR 61 N 1.68 1.17 0.25 0.55 2.02 -1.90 -2.01 112.91 114.66 2qrw h THR 61 Ca 0.27 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2qrw h THR 61 Cb 2.05 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 2qrw h THR 61 CO 0.62 0.16 -0.35 0.22 0.37 0.00 0.00 175.52 176.55 2qrw h TYR 62 N 0.87 -0.95 0.00 3.16 3.20 -1.80 -0.41 116.97 121.04 2qrw h TYR 62 Ca 0.23 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 2qrw h TYR 62 Cb -0.09 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2qrw h TYR 62 CO 0.00 -0.48 -0.52 0.66 -1.64 0.00 0.00 178.16 176.19 2qrw h SER 63 N -0.66 0.00 -0.89 -2.11 4.64 -1.70 0.40 113.55 113.23 2qrw h SER 63 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2qrw h SER 63 Cb 0.63 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 2qrw h SER 63 CO -0.13 0.52 0.52 -0.33 -0.87 0.00 0.00 176.83 176.54 2qrw h GLU 64 N 0.00 1.22 0.01 4.77 5.08 -1.05 0.36 114.58 124.98 2qrw h GLU 64 Ca -0.01 -0.12 -0.31 0.00 -1.00 0.00 0.00 59.36 57.93 2qrw h GLU 64 Cb 0.96 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 2qrw h GLU 64 CO 0.07 0.86 -1.81 1.04 -1.00 0.00 0.00 179.01 178.17 2qrw n GLN 65 N -4.35 0.65 -0.00 2.33 6.02 -0.19 -4.59 117.38 117.24 2qrw n GLN 65 Ca 0.10 0.27 0.05 0.00 -0.01 0.00 0.00 57.00 57.41 2qrw n GLN 65 Cb 0.07 -1.76 -0.07 0.00 1.02 0.00 0.00 30.24 29.50 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 -3.07 1.61 0.00 -1.09 5.12 0.14 -5.10 116.66 114.27 2qrw n ARG 66 Ca -0.20 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.66 2qrw n ARG 66 Cb 1.06 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 31.21 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 1.63 -1.76 3.75 -0.13 0.00 0.11 -4.91 105.19 103.88 2qrw n GLY 67 Ca -0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 3.12 0.24 1.61 5.65 -1.26 -4.28 115.29 120.36 2qrw s HIS 68 Ca 0.00 1.18 -0.31 0.00 0.25 0.00 0.00 55.06 56.18 2qrw s HIS 68 Cb 0.00 -3.71 -0.11 0.00 -1.18 0.00 0.00 32.58 27.58 2qrw s HIS 68 CO 0.00 -2.20 1.55 -2.14 -0.65 0.00 0.00 174.74 171.30 2qrw s PRO 69 N -0.57 4.19 -0.45 2.88 0.02 -1.26 -4.92 135.00 134.89 2qrw s PRO 69 Ca 0.56 2.43 0.08 0.00 0.02 0.00 0.00 61.00 64.10 2qrw s PRO 69 Cb -0.39 -3.09 0.27 0.00 0.02 0.00 0.00 34.50 31.31 2qrw s PRO 69 CO 0.43 -0.57 0.63 0.54 -0.33 0.00 0.00 177.00 177.70 2qrw n ARG 70 N 2.88 1.28 -0.15 5.54 1.74 -1.26 -5.01 116.66 121.68 2qrw n ARG 70 Ca 0.10 -3.64 -0.05 0.00 -0.77 0.00 0.00 57.85 53.48 2qrw n ARG 70 Cb 0.38 -1.57 0.12 0.00 -1.02 0.00 0.00 32.46 30.38 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 3.82 0.86 -0.29 0.55 3.38 -1.98 -0.54 115.31 121.10 2qrw h LEU 71 Ca 0.11 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2qrw h LEU 71 Cb 0.83 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2qrw h LEU 71 CO 0.57 0.90 0.15 -0.09 0.09 0.00 0.00 178.44 180.05 2qrw h ARG 72 N 0.84 0.30 -0.48 1.13 2.43 -1.95 -0.41 114.38 116.23 2qrw h ARG 72 Ca 0.16 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2qrw h ARG 72 Cb 0.45 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2qrw h ARG 72 CO 0.02 0.20 -0.09 1.98 -1.51 0.00 0.00 179.97 180.57 2qrw h MET 73 N 0.31 0.87 0.00 0.20 4.05 -1.86 -1.12 114.93 117.38 2qrw h MET 73 Ca 0.12 -0.29 -0.05 0.00 -0.28 0.00 0.00 59.70 59.20 2qrw h MET 73 Cb 0.03 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 2qrw h MET 73 CO -0.08 0.92 -0.23 0.00 0.23 0.00 0.00 176.91 177.76 2qrw h ARG 74 N 0.79 0.00 0.00 0.39 2.47 -0.76 -2.57 114.38 114.70 2qrw h ARG 74 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2qrw h ARG 74 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2qrw h ARG 74 CO 0.04 0.23 -0.69 0.72 0.56 0.00 0.00 179.97 180.83 2qrw n HIS 75 N -3.70 0.35 -0.04 3.04 8.25 -0.19 -4.42 115.22 118.50 2qrw n HIS 75 Ca -0.01 0.10 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 2qrw n HIS 75 Cb 0.34 -0.50 0.52 0.00 1.12 0.00 0.00 29.99 31.48 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 2.64 2.04 0.00 -1.41 0.00 -0.78 -0.40 119.26 121.36 2qrw h ALA 76 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qrw h ALA 76 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qrw h ALA 76 CO 0.00 -0.16 0.00 -2.30 0.00 0.00 0.00 179.25 176.79 2qrw n PRO 77 N -4.47 0.09 -4.28 0.00 -0.02 -1.26 -4.76 135.00 120.30 2qrw n PRO 77 Ca 0.08 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 2qrw n PRO 77 Cb 0.35 -1.73 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 2qrw n PRO 77 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2qrw s PHE 78 N -3.25 2.72 -0.72 6.00 0.40 -0.16 -5.06 117.98 117.90 2qrw s PHE 78 Ca 0.02 -0.17 -0.19 0.00 -0.60 0.00 0.00 56.93 55.99 2qrw s PHE 78 Cb 0.06 -1.44 0.11 0.00 0.51 0.00 0.00 43.02 42.26 2qrw s PHE 78 CO 0.20 0.41 0.88 1.03 0.70 0.00 0.00 175.22 178.44 2qrw s ARG 79 N -2.09 3.25 -0.65 0.44 0.52 -1.26 -4.88 118.95 114.28 2qrw s ARG 79 Ca 0.20 -1.42 -0.16 0.00 -0.52 0.00 0.00 55.73 53.83 2qrw s ARG 79 Cb -0.11 -4.44 0.15 0.00 0.52 0.00 0.00 34.95 31.07 2qrw s ARG 79 CO 0.12 -1.65 0.64 0.42 0.02 0.00 0.00 175.30 174.85 2qrw s ILE 80 N 2.80 5.24 0.61 1.52 1.01 -1.26 -4.91 121.20 126.21 2qrw s ILE 80 Ca 0.20 -1.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.14 2qrw s ILE 80 Cb -0.16 -4.42 0.12 0.00 0.01 0.00 0.00 42.46 38.01 2qrw s ILE 80 CO 0.02 -0.99 0.84 -1.54 0.00 0.00 0.00 174.94 173.27 2qrw n SER 81 N 5.11 1.15 0.08 3.58 3.41 -1.25 -1.23 113.62 124.46 2qrw n SER 81 Ca -0.04 -1.97 0.18 0.00 -0.26 0.00 0.00 58.87 56.79 2qrw n SER 81 Cb 0.43 -0.54 0.71 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.00 -0.12 1.04 3.38 -1.89 -1.21 115.31 116.51 2qrw h LEU 82 Ca -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2qrw h LEU 82 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2qrw h LEU 82 CO 0.30 0.00 -0.13 0.40 0.09 0.00 0.00 178.44 179.10 2qrw h ILE 83 N 0.00 1.36 -0.62 1.22 2.04 -1.95 -1.06 117.51 118.50 2qrw h ILE 83 Ca 0.19 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 2qrw h ILE 83 Cb 0.78 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 2qrw h ILE 83 CO -0.00 0.38 0.31 -0.33 0.00 0.00 0.00 178.15 178.51 2qrw h GLU 84 N -0.08 0.88 -0.43 2.37 3.07 -1.79 -1.74 114.58 116.85 2qrw h GLU 84 Ca 0.02 -0.12 0.09 0.00 -0.50 0.00 0.00 59.36 58.85 2qrw h GLU 84 Cb 0.66 -0.16 -0.08 0.00 -0.84 0.00 0.00 28.75 28.33 2qrw h GLU 84 CO 0.03 0.69 -0.08 -0.09 -1.40 0.00 0.00 179.01 178.17 2qrw h ARG 85 N 0.84 0.03 -0.35 2.33 2.43 -1.19 0.23 114.38 118.71 2qrw h ARG 85 Ca 0.21 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2qrw h ARG 85 Cb 0.09 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2qrw h ARG 85 CO -0.03 0.02 -0.20 -0.44 -1.51 0.00 0.00 179.97 177.81 2qrw h ASP 86 N 0.03 0.66 -0.35 -3.80 3.32 -0.83 -0.64 116.42 114.82 2qrw h ASP 86 Ca 0.21 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2qrw h ASP 86 Cb 0.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2qrw h ASP 86 CO -0.42 0.86 -0.16 0.00 -1.72 0.00 0.00 179.24 177.79 2qrw h ALA 87 N 1.20 0.48 -0.17 3.45 0.00 -1.01 0.83 119.26 124.04 2qrw h ALA 87 Ca 0.09 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2qrw h ALA 87 Cb 0.66 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2qrw h ALA 87 CO 0.05 0.40 -0.01 0.35 0.00 0.00 0.00 179.25 180.04 2qrw h PHE 88 N 0.50 -0.04 -0.42 0.00 3.57 -0.74 -1.27 116.94 118.55 2qrw h PHE 88 Ca 0.08 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 2qrw h PHE 88 Cb 0.70 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2qrw h PHE 88 CO 0.06 -0.04 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.86 2qrw h LEU 89 N 0.04 0.81 -0.07 0.59 3.38 -0.94 -1.02 115.31 118.09 2qrw h LEU 89 Ca 0.08 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2qrw h LEU 89 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2qrw h LEU 89 CO -0.15 0.97 -0.02 -0.09 0.09 0.00 0.00 178.44 179.24 2qrw h ARG 90 N 0.71 -0.01 -0.94 1.13 2.43 -0.63 -0.28 114.38 116.81 2qrw h ARG 90 Ca 0.11 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2qrw h ARG 90 Cb 0.68 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 2qrw h ARG 90 CO 0.05 -0.00 0.58 0.00 -1.51 0.00 0.00 179.97 179.08 2qrw h MET 92 N 1.28 0.39 -0.42 0.00 2.86 -0.92 -0.28 114.93 117.84 2qrw h MET 92 Ca 0.34 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2qrw h MET 92 Cb -0.08 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 2qrw h MET 92 CO -0.07 0.49 0.25 0.45 1.06 0.00 0.00 176.91 179.09 2qrw h HIS 93 N 0.23 0.46 -0.78 -0.22 -0.00 -0.83 0.13 115.15 114.14 2qrw h HIS 93 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2qrw h HIS 93 Cb 0.27 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.49 2qrw h HIS 93 CO 0.01 0.26 0.49 1.15 -0.00 0.00 0.00 177.93 179.85 2qrw h THR 94 N 0.50 1.21 -0.31 2.45 2.02 -1.16 0.84 112.91 118.45 2qrw h THR 94 Ca 0.17 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2qrw h THR 94 Cb 0.02 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 2qrw h THR 94 CO -0.08 0.21 0.07 0.00 0.37 0.00 0.00 175.52 176.09 2qrw h ALA 95 N 1.27 0.41 -0.45 6.16 0.00 -0.69 -3.02 119.26 122.95 2qrw h ALA 95 Ca 0.28 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2qrw h ALA 95 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2qrw h ALA 95 CO -0.06 0.09 -0.02 0.28 0.00 0.00 0.00 179.25 179.54 2qrw h VAL 96 N 0.35 1.24 -0.10 0.00 2.07 -0.46 -2.22 116.25 117.13 2qrw h VAL 96 Ca 0.10 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.64 2qrw h VAL 96 Cb 0.31 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2qrw h VAL 96 CO 0.00 0.35 0.16 0.00 0.02 0.00 0.00 177.57 178.10 2qrw h ALA 97 N 1.28 1.54 0.00 1.67 0.00 -0.71 -1.07 119.26 121.97 2qrw h ALA 97 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qrw h ALA 97 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qrw h ALA 97 CO 0.02 -0.21 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 2qrw n SER 98 N -3.52 0.00 -4.74 0.00 3.41 -0.84 -4.76 113.62 103.17 2qrw n SER 98 Ca -0.00 0.15 -0.37 0.00 -0.26 0.00 0.00 58.87 58.38 2qrw n SER 98 Cb 0.26 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.76 5.27 0.84 -1.33 -1.09 -0.41 -5.07 121.20 116.65 2qrw s ILE 99 Ca 0.22 0.62 -0.12 0.00 -2.23 0.00 0.00 60.65 59.15 2qrw s ILE 99 Cb 0.20 -3.66 0.09 0.00 -1.58 0.00 0.00 42.46 37.51 2qrw s ILE 99 CO 0.49 0.41 1.10 1.51 -1.23 0.00 0.00 174.94 177.22 2qrw s ASP 100 N 0.28 4.09 0.34 3.58 3.84 -1.26 -4.82 116.67 122.72 2qrw s ASP 100 Ca 0.19 1.34 0.24 0.00 -0.00 0.00 0.00 52.55 54.32 2qrw s ASP 100 Cb -0.14 -2.05 0.45 0.00 -1.38 0.00 0.00 42.92 39.81 2qrw s ASP 100 CO 0.06 -2.23 1.60 0.77 -0.00 0.00 0.00 175.17 175.37 2qrw h SER 101 N -1.27 0.00 -0.36 2.11 4.64 -1.98 -1.46 113.55 115.23 2qrw h SER 101 Ca -0.48 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 2qrw h SER 101 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2qrw h SER 101 CO 0.58 0.01 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.92 2qrw h GLU 102 N 0.00 0.89 0.00 4.77 5.08 -1.99 -3.17 114.58 120.17 2qrw h GLU 102 Ca 0.00 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2qrw h GLU 102 Cb 0.91 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2qrw h GLU 102 CO 0.00 1.06 -0.00 1.15 -1.00 0.00 0.00 179.01 180.22 2qrw h THR 103 N 0.75 1.62 -3.59 1.13 2.02 -1.87 -3.42 112.91 109.55 2qrw h THR 103 Ca 0.08 -1.93 -0.67 0.00 0.77 0.00 0.00 66.41 64.67 2qrw h THR 103 Cb 0.86 2.92 -0.39 0.00 -1.74 0.00 0.00 68.15 69.81 2qrw h THR 103 CO 0.08 0.50 -0.65 -0.22 0.37 0.00 0.00 175.52 175.59 2qrw s LEU 104 N -8.56 4.83 0.88 2.58 2.96 -0.57 -4.44 118.68 116.37 2qrw s LEU 104 Ca -0.18 -2.29 -0.12 0.00 -0.22 0.00 0.00 54.13 51.32 2qrw s LEU 104 Cb -0.01 -1.69 0.12 0.00 0.50 0.00 0.00 46.19 45.11 2qrw s LEU 104 CO 0.67 -0.39 1.13 1.51 -1.32 0.00 0.00 176.35 177.95 2qrw s ASP 105 N 0.92 3.76 0.20 3.68 3.84 -1.20 -4.25 116.67 123.63 2qrw s ASP 105 Ca 0.12 1.00 -0.11 0.00 -0.00 0.00 0.00 52.55 53.56 2qrw s ASP 105 Cb -0.21 -1.60 0.22 0.00 -1.38 0.00 0.00 42.92 39.96 2qrw s ASP 105 CO -0.06 -2.40 1.78 0.44 -0.00 0.00 0.00 175.17 174.93 2qrw h ASP 106 N -1.39 0.37 -0.21 2.11 3.32 -1.99 0.04 116.42 118.67 2qrw h ASP 106 Ca -0.50 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 2qrw h ASP 106 Cb 1.32 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 2qrw h ASP 106 CO 0.62 0.24 0.12 -0.33 -1.72 0.00 0.00 179.24 178.16 2qrw h GLU 107 N 0.52 0.30 -0.35 3.56 5.08 -2.00 -1.10 114.58 120.59 2qrw h GLU 107 Ca 0.28 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2qrw h GLU 107 Cb 0.25 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2qrw h GLU 107 CO -0.22 0.29 -0.27 0.45 -1.00 0.00 0.00 179.01 178.25 2qrw h HIS 108 N 0.24 0.84 -0.15 4.33 3.86 -1.81 -1.17 115.15 121.28 2qrw h HIS 108 Ca 0.08 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2qrw h HIS 108 Cb 0.07 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2qrw h HIS 108 CO -0.03 0.92 0.10 -0.09 0.86 0.00 0.00 177.93 179.68 2qrw h ARG 109 N 0.63 0.20 -0.25 2.45 2.43 -0.88 0.11 114.38 119.06 2qrw h ARG 109 Ca 0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2qrw h ARG 109 Cb 0.78 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2qrw h ARG 109 CO 0.06 0.14 0.17 -0.09 -1.51 0.00 0.00 179.97 178.74 2qrw h ARG 110 N 0.19 0.34 -0.78 0.20 9.65 -1.03 -1.36 114.38 121.59 2qrw h ARG 110 Ca 0.05 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.95 2qrw h ARG 110 Cb -0.01 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.45 2qrw h ARG 110 CO -0.01 0.23 0.49 1.49 2.80 0.00 0.00 179.97 184.96 2qrw h GLU 111 N 0.34 0.90 -0.22 0.20 4.81 -0.99 0.10 114.58 119.74 2qrw h GLU 111 Ca 0.09 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2qrw h GLU 111 Cb -0.04 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 2qrw h GLU 111 CO -0.02 0.60 -0.14 1.25 -0.73 0.00 0.00 179.01 179.97 2qrw h LEU 112 N 0.93 0.50 -0.66 1.64 5.85 -0.74 -1.81 115.31 121.01 2qrw h LEU 112 Ca 0.32 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 2qrw h LEU 112 Cb 0.06 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2qrw h LEU 112 CO -0.13 0.82 0.11 -0.07 -0.34 0.00 0.00 178.44 178.83 2qrw h LEU 113 N 0.17 1.05 -0.71 2.25 3.38 -1.05 -1.67 115.31 118.73 2qrw h LEU 113 Ca 0.04 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2qrw h LEU 113 Cb 0.65 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2qrw h LEU 113 CO 0.04 1.04 0.45 0.44 0.09 0.00 0.00 178.44 180.50 2qrw h ASP 114 N 1.01 0.75 0.31 -0.43 3.45 -0.75 -1.02 116.42 119.74 2qrw h ASP 114 Ca 0.20 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.64 2qrw h ASP 114 Cb 0.44 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 2qrw h ASP 114 CO 0.01 0.52 -0.15 0.22 -1.57 0.00 0.00 179.24 178.27 2qrw h TYR 115 N 0.89 -0.38 -0.87 4.55 5.03 -1.04 -2.08 116.97 123.05 2qrw h TYR 115 Ca 0.28 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 2qrw h TYR 115 Cb -0.00 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.36 2qrw h TYR 115 CO -0.04 -0.24 0.51 -0.07 -1.32 0.00 0.00 178.16 177.01 2qrw h LEU 116 N -0.42 1.06 0.04 2.82 3.38 -1.11 0.77 115.31 121.85 2qrw h LEU 116 Ca -0.04 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2qrw h LEU 116 Cb 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2qrw h LEU 116 CO 0.07 0.83 -0.18 -0.08 0.09 0.00 0.00 178.44 179.17 2qrw h GLU 117 N 1.21 -0.30 -0.23 1.13 4.81 -1.14 -0.20 114.58 119.85 2qrw h GLU 117 Ca 0.31 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2qrw h GLU 117 Cb -0.02 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2qrw h GLU 117 CO -0.06 -0.20 0.10 1.98 -0.73 0.00 0.00 179.01 180.10 2qrw h MET 118 N -0.31 0.33 -0.54 1.92 4.05 -0.86 -1.77 114.93 117.75 2qrw h MET 118 Ca 0.04 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2qrw h MET 118 Cb 0.37 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 2qrw h MET 118 CO -0.14 0.37 0.33 0.00 0.23 0.00 0.00 176.91 177.69 2qrw h ALA 119 N 0.95 0.70 -0.45 0.39 0.00 -0.81 -1.40 119.26 118.64 2qrw h ALA 119 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2qrw h ALA 119 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2qrw h ALA 119 CO -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 179.25 179.28 2qrw h ALA 120 N 1.24 0.60 -0.93 0.00 0.00 -0.85 -2.05 119.26 117.28 2qrw h ALA 120 Ca 0.22 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qrw h ALA 120 Cb 0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2qrw h ALA 120 CO -0.10 0.40 0.59 0.45 0.00 0.00 0.00 179.25 180.59 2qrw h HIS 121 N 0.63 1.10 0.00 0.00 3.86 -1.18 -2.26 115.15 117.30 2qrw h HIS 121 Ca 0.13 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2qrw h HIS 121 Cb 0.50 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2qrw h HIS 121 CO 0.04 0.57 0.00 0.43 0.86 0.00 0.00 177.93 179.83 2qrw n SER 122 N -4.56 0.26 -0.52 2.45 7.64 -0.54 -2.83 113.62 115.52 2qrw n SER 122 Ca 0.14 0.56 0.10 0.00 1.01 0.00 0.00 58.87 60.68 2qrw n SER 122 Cb 0.17 -0.61 0.01 0.00 -1.01 0.00 0.00 64.21 62.76 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 -1.78 2.06 -4.69 -3.43 4.77 -0.82 -4.95 117.00 108.16 2qrw n LEU 123 Ca 0.03 -0.79 -0.43 0.00 -0.03 0.00 0.00 56.01 54.79 2qrw n LEU 123 Cb 0.22 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2qrw n LEU 123 CO 0.18 0.38 1.39 0.52 -1.33 0.00 0.00 177.39 178.52 2qrw n VAL 124 N 0.13 0.18 -1.54 4.08 0.31 -1.13 -4.84 118.33 115.52 2qrw n VAL 124 Ca 0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2qrw n VAL 124 Cb 0.46 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 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 4.70 0.09 -3.72 4.52 2.04 -0.36 -5.04 115.26 117.49 2qrw n ASN 125 Ca 0.17 -1.62 -0.13 0.00 -0.44 0.00 0.00 54.58 52.56 2qrw n ASN 125 Cb 0.34 -0.12 -0.10 0.00 -2.53 0.00 0.00 39.78 37.37 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 -0.64 -0.48 0.39 0.53 0.15 -1.07 -4.76 113.70 107.82 2qrw s SER 126 Ca 0.01 0.90 0.28 0.00 0.70 0.00 0.00 55.95 57.84 2qrw s SER 126 Cb 0.01 0.88 1.07 0.00 -1.71 0.00 0.00 66.02 66.27 2qrw s SER 126 CO 0.00 -0.16 1.82 1.55 1.20 0.00 0.00 173.24 177.65 2qrw h PRO 127 N 5.79 0.00 0.00 5.44 0.13 -1.98 -3.33 132.00 138.04 2qrw h PRO 127 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2qrw h PRO 127 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qrw h PRO 127 CO 0.24 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 179.98