#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 5.26 0.17 3.14 1.04 -1.26 -4.85 113.70 117.20 2qrw s SER 4 Ca 0.00 1.71 -0.14 0.00 0.48 0.00 0.00 55.95 58.00 2qrw s SER 4 Cb 0.00 -2.51 0.12 0.00 0.10 0.00 0.00 66.02 63.73 2qrw s SER 4 CO 0.00 -1.52 1.74 0.15 0.98 0.00 0.00 173.24 174.59 2qrw h PHE 5 N -0.57 0.23 -0.28 5.02 3.57 -1.93 -0.16 116.94 122.82 2qrw h PHE 5 Ca -0.44 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.13 2qrw h PHE 5 Cb 1.22 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.84 2qrw h PHE 5 CO 0.60 0.07 -0.44 -0.92 -2.23 0.00 0.00 178.31 175.39 2qrw h TYR 6 N 0.29 -1.29 -0.68 0.41 3.20 -1.58 -1.20 116.97 116.11 2qrw h TYR 6 Ca 0.21 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2qrw h TYR 6 Cb 0.22 0.60 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 2qrw h TYR 6 CO -0.17 -0.47 0.33 -0.44 -1.64 0.00 0.00 178.16 175.77 2qrw h ASP 7 N -0.42 0.88 -0.04 -2.11 3.32 -1.76 0.15 116.42 116.44 2qrw h ASP 7 Ca 0.10 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2qrw h ASP 7 Cb 0.61 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2qrw h ASP 7 CO -0.50 0.77 0.01 0.00 -1.72 0.00 0.00 179.24 177.79 2qrw h ALA 8 N 1.15 1.85 -0.62 3.45 0.00 -0.07 -2.06 119.26 122.97 2qrw h ALA 8 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qrw h ALA 8 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qrw h ALA 8 CO -0.03 0.12 0.00 1.33 0.00 0.00 0.00 179.25 180.67 2qrw n VAL 9 N -4.47 0.82 -0.03 0.00 0.24 -0.55 -4.93 118.33 109.42 2qrw n VAL 9 Ca -0.02 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 2qrw n VAL 9 Cb 0.13 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.96 7.00 7.63 0.00 -0.77 -4.66 105.19 116.86 2qrw n GLY 10 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2qrw n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrw n GLY 11 N -2.02 2.86 0.28 -0.02 0.00 0.51 -3.61 105.19 103.19 2qrw n GLY 11 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.70 2qrw n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrw h ALA 12 N -0.94 1.10 -0.69 4.61 0.00 -1.96 -1.68 119.26 119.70 2qrw h ALA 12 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qrw h ALA 12 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2qrw h ALA 12 CO 0.00 -0.08 0.38 -0.22 0.00 0.00 0.00 179.25 179.33 2qrw h LYS 13 N 0.59 0.96 -0.10 0.00 3.64 -1.97 0.53 116.57 120.21 2qrw h LYS 13 Ca 0.40 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 2qrw h LYS 13 Cb 0.50 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2qrw h LYS 13 CO -0.32 0.72 0.01 1.15 -2.27 0.00 0.00 179.45 178.74 2qrw h THR 14 N 0.94 1.24 -0.49 1.00 2.02 -1.39 -1.44 112.91 114.79 2qrw h THR 14 Ca 0.24 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 2qrw h THR 14 Cb 0.04 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2qrw h THR 14 CO -0.04 0.22 -0.00 -0.26 0.37 0.00 0.00 175.52 175.81 2qrw h PHE 15 N -0.08 0.89 -0.61 3.16 0.04 -1.28 0.32 116.94 119.38 2qrw h PHE 15 Ca 0.03 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 2qrw h PHE 15 Cb 0.33 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 2qrw h PHE 15 CO 0.03 0.81 0.32 0.22 -0.60 0.00 0.00 178.31 179.09 2qrw h ASP 16 N 0.77 0.77 -0.20 2.17 -0.00 -0.89 -0.82 116.42 118.22 2qrw h ASP 16 Ca 0.15 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.03 57.06 2qrw h ASP 16 Cb 0.47 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.59 2qrw h ASP 16 CO 0.02 0.66 0.08 0.00 -0.00 0.00 0.00 179.24 179.99 2qrw h ALA 17 N 1.15 0.26 0.20 -0.78 0.00 -0.62 -0.27 119.26 119.20 2qrw h ALA 17 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qrw h ALA 17 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qrw h ALA 17 CO -0.03 -0.14 -0.10 0.82 0.00 0.00 0.00 179.25 179.80 2qrw h ILE 18 N 0.16 0.86 -0.09 0.00 2.04 -0.81 -2.18 117.51 117.49 2qrw h ILE 18 Ca 0.07 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.54 2qrw h ILE 18 Cb 0.19 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2qrw h ILE 18 CO -0.00 0.06 -0.50 0.58 0.00 0.00 0.00 178.15 178.29 2qrw h VAL 19 N -0.40 1.35 -0.50 1.67 2.07 -1.15 0.36 116.25 119.65 2qrw h VAL 19 Ca -0.03 -1.74 -0.12 0.00 0.82 0.00 0.00 66.70 65.64 2qrw h VAL 19 Cb 0.31 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2qrw h VAL 19 CO 0.04 0.52 -0.14 0.77 0.02 0.00 0.00 177.57 178.79 2qrw h SER 20 N 0.19 0.99 -0.13 0.57 4.64 -1.04 -0.74 113.55 118.03 2qrw h SER 20 Ca 0.01 -0.37 -0.12 0.00 -0.47 0.00 0.00 61.79 60.84 2qrw h SER 20 Cb 0.95 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 2qrw h SER 20 CO 0.08 1.13 -0.33 0.03 -0.87 0.00 0.00 176.83 176.86 2qrw h ARG 21 N 0.84 0.63 0.12 4.77 -0.00 -1.12 -1.06 114.38 118.56 2qrw h ARG 21 Ca 0.13 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.98 59.31 2qrw h ARG 21 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.66 2qrw h ARG 21 CO 0.05 0.88 -0.06 0.35 0.00 0.00 0.00 179.97 181.20 2qrw h PHE 22 N 0.54 -0.15 0.00 3.04 3.57 -0.77 -2.11 116.94 121.05 2qrw h PHE 22 Ca 0.06 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 2qrw h PHE 22 Cb 0.83 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2qrw h PHE 22 CO 0.04 -0.09 -0.31 1.88 -2.23 0.00 0.00 178.31 177.59 2qrw h TYR 23 N -0.16 0.00 -0.70 0.41 0.05 -0.95 -0.42 116.97 115.20 2qrw h TYR 23 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 2qrw h TYR 23 Cb 0.12 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 2qrw h TYR 23 CO -0.07 0.31 0.19 0.00 -1.05 0.00 0.00 178.16 177.55 2qrw h ALA 24 N 1.69 1.03 0.03 3.88 0.00 -1.06 -2.53 119.26 122.29 2qrw h ALA 24 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qrw h ALA 24 Cb 0.72 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qrw h ALA 24 CO 0.04 0.65 -0.01 1.96 0.00 0.00 0.00 179.25 181.88 2qrw h GLN 25 N 1.04 -0.03 -0.88 0.00 1.08 -0.44 -3.13 115.11 112.75 2qrw h GLN 25 Ca 0.22 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.64 2qrw h GLN 25 Cb 0.33 0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 27.64 2qrw h GLN 25 CO -0.00 0.18 0.38 0.28 -0.95 0.00 0.00 178.83 178.72 2qrw h VAL 26 N -0.24 0.49 -0.10 -0.54 2.07 -1.04 0.32 116.25 117.21 2qrw h VAL 26 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2qrw h VAL 26 Cb 0.23 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2qrw h VAL 26 CO 0.01 0.07 0.02 0.00 0.02 0.00 0.00 177.57 177.69 2qrw h ALA 27 N 1.69 1.85 -0.01 1.67 0.00 -1.39 -1.33 119.26 121.73 2qrw h ALA 27 Ca 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2qrw h ALA 27 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qrw h ALA 27 CO -0.52 0.12 -0.21 0.39 0.00 0.00 0.00 179.25 179.03 2qrw n GLU 28 N -4.47 1.35 -3.25 0.00 -0.58 0.04 -4.86 120.64 108.87 2qrw n GLU 28 Ca -0.01 -0.94 -0.40 0.00 -0.42 0.00 0.00 57.16 55.38 2qrw n GLU 28 Cb 0.12 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.43 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 -2.30 6.41 0.19 1.62 -1.08 -0.50 -4.97 116.67 116.04 2qrw s ASP 29 Ca 0.27 0.49 -0.12 0.00 -0.52 0.00 0.00 52.55 52.67 2qrw s ASP 29 Cb 0.19 -2.27 0.19 0.00 -1.46 0.00 0.00 42.92 39.57 2qrw s ASP 29 CO 0.46 -0.28 1.76 -0.33 0.52 0.00 0.00 175.17 177.30 2qrw h GLU 30 N 8.04 0.42 0.15 4.34 5.08 -1.91 0.20 114.58 130.89 2qrw h GLU 30 Ca -0.29 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2qrw h GLU 30 Cb 1.14 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2qrw h GLU 30 CO 0.71 0.28 -0.07 0.28 -1.00 0.00 0.00 179.01 179.20 2qrw h VAL 31 N 0.43 0.99 -0.13 3.13 2.07 -1.94 -3.21 116.25 117.59 2qrw h VAL 31 Ca 0.25 -0.70 -0.17 0.00 0.82 0.00 0.00 66.70 66.90 2qrw h VAL 31 Cb 0.24 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2qrw h VAL 31 CO -0.22 0.16 -0.64 -0.07 0.02 0.00 0.00 177.57 176.81 2qrw h LEU 32 N -0.55 0.56 -2.14 2.57 3.38 -1.81 -2.72 115.31 114.61 2qrw h LEU 32 Ca -0.02 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2qrw h LEU 32 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2qrw h LEU 32 CO 0.03 1.06 0.13 -0.09 0.09 0.00 0.00 178.44 179.66 2qrw h ARG 33 N 0.36 0.00 0.00 1.13 2.43 -0.69 -0.77 114.38 116.83 2qrw h ARG 33 Ca -0.01 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 2qrw h ARG 33 Cb 1.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2qrw h ARG 33 CO 0.12 0.00 -0.67 0.00 -1.51 0.00 0.00 179.97 177.90 2qrw h ARG 34 N 0.00 0.00 0.06 0.20 3.08 -1.48 -3.37 114.38 112.88 2qrw h ARG 34 Ca 0.07 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.75 2qrw h ARG 34 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2qrw h ARG 34 CO -0.00 0.67 -2.21 1.55 -1.07 0.00 0.00 179.97 178.92 2qrw n VAL 35 N -3.41 1.64 -1.98 2.04 3.14 -0.42 -4.84 118.33 114.51 2qrw n VAL 35 Ca 0.00 -0.63 -0.42 0.00 -2.96 0.00 0.00 64.34 60.33 2qrw n VAL 35 Cb 0.75 -1.55 -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 2.72 0.30 1.45 1.51 -0.50 -4.92 117.35 115.37 2qrw s TYR 36 Ca -0.27 0.51 0.07 0.00 -1.01 0.00 0.00 57.07 56.37 2qrw s TYR 36 Cb 0.08 -3.90 0.49 0.00 -0.11 0.00 0.00 41.96 38.51 2qrw s TYR 36 CO 0.70 -3.49 1.72 -1.00 -1.11 0.00 0.00 175.55 172.37 2qrw h PRO 37 N 7.71 0.23 -6.24 -1.71 0.13 -1.88 -3.46 132.00 126.77 2qrw h PRO 37 Ca -0.42 -0.10 -0.53 0.00 -0.87 0.00 0.00 66.00 64.07 2qrw h PRO 37 Cb 1.20 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2qrw h PRO 37 CO 0.92 0.59 -0.33 -1.21 -0.23 0.00 0.00 178.00 177.74 2qrw s GLU 38 N -4.18 3.52 0.11 0.86 0.41 -1.26 -4.97 118.70 113.19 2qrw s GLU 38 Ca -0.04 -0.34 -0.10 0.00 -0.41 0.00 0.00 54.97 54.07 2qrw s GLU 38 Cb 0.14 -2.83 -0.13 0.00 -1.78 0.00 0.00 34.13 29.53 2qrw s GLU 38 CO 0.77 0.39 1.30 -0.44 -0.49 0.00 0.00 175.26 176.79 2qrw h ASP 39 N 1.94 0.83 -3.59 -0.19 3.32 -1.98 -3.40 116.42 113.35 2qrw h ASP 39 Ca -0.48 -0.58 -0.65 0.00 0.02 0.00 0.00 57.03 55.34 2qrw h ASP 39 Cb 1.19 -0.25 -0.15 0.00 0.22 0.00 0.00 39.33 40.35 2qrw h ASP 39 CO 0.68 1.37 0.15 -0.62 -1.72 0.00 0.00 179.24 179.10 2qrw s ASP 40 N -7.12 6.35 -0.03 6.45 2.15 -1.26 -4.91 116.67 118.30 2qrw s ASP 40 Ca -0.09 -0.20 0.14 0.00 0.43 0.00 0.00 52.55 52.83 2qrw s ASP 40 Cb 0.09 -2.33 0.46 0.00 -0.30 0.00 0.00 42.92 40.84 2qrw s ASP 40 CO 0.90 -0.75 1.36 0.18 -0.17 0.00 0.00 175.17 176.69 2qrw n LEU 41 N 6.25 2.98 -0.17 -1.34 4.77 -1.26 -4.37 117.00 123.86 2qrw n LEU 41 Ca -0.01 -1.50 -0.09 0.00 -0.03 0.00 0.00 56.01 54.38 2qrw n LEU 41 Cb 0.48 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2qrw n LEU 41 CO 0.53 0.64 0.89 0.00 -1.33 0.00 0.00 177.39 178.12 2qrw h ALA 42 N 3.81 0.64 -0.43 -1.18 0.00 -1.97 -1.66 119.26 118.47 2qrw h ALA 42 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2qrw h ALA 42 Cb 0.84 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2qrw h ALA 42 CO 0.07 0.33 0.11 0.78 0.00 0.00 0.00 179.25 180.53 2qrw h GLY 43 N 0.66 0.73 1.02 0.00 0.00 -2.00 -1.83 103.07 101.65 2qrw h GLY 43 Ca 0.15 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2qrw h GLY 43 CO 0.00 0.42 0.58 0.00 0.00 0.00 0.00 176.54 177.54 2qrw h ALA 44 N 0.96 1.18 -0.30 3.60 0.00 -1.79 -0.76 119.26 122.16 2qrw h ALA 44 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2qrw h ALA 44 Cb 0.31 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qrw h ALA 44 CO 0.00 0.62 0.08 1.49 0.00 0.00 0.00 179.25 181.44 2qrw h GLU 45 N 1.28 0.47 -0.32 0.00 4.81 -1.13 -1.00 114.58 118.67 2qrw h GLU 45 Ca 0.34 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 2qrw h GLU 45 Cb -0.08 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 2qrw h GLU 45 CO -0.07 0.53 0.11 1.49 -0.73 0.00 0.00 179.01 180.35 2qrw h GLU 46 N 0.31 0.24 -0.38 1.92 4.81 -0.88 0.06 114.58 120.66 2qrw h GLU 46 Ca 0.09 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 2qrw h GLU 46 Cb 0.27 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2qrw h GLU 46 CO -0.00 0.16 -0.16 0.00 -0.73 0.00 0.00 179.01 178.28 2qrw h ARG 47 N 0.24 0.79 -0.29 1.92 3.08 -0.95 -0.40 114.38 118.77 2qrw h ARG 47 Ca 0.14 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2qrw h ARG 47 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2qrw h ARG 47 CO -0.15 0.95 0.17 1.25 -1.07 0.00 0.00 179.97 181.12 2qrw h LEU 48 N 0.59 0.35 -0.02 3.04 5.85 -1.10 -0.71 115.31 123.30 2qrw h LEU 48 Ca 0.09 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2qrw h LEU 48 Cb 0.70 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2qrw h LEU 48 CO 0.05 0.32 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.27 2qrw h ARG 49 N 0.36 -0.17 -0.86 1.25 2.43 -0.81 -1.69 114.38 114.89 2qrw h ARG 49 Ca 0.10 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2qrw h ARG 49 Cb 0.04 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 2qrw h ARG 49 CO -0.02 -0.11 0.54 0.52 -1.51 0.00 0.00 179.97 179.39 2qrw h MET 50 N -0.18 0.98 0.17 0.20 2.86 -0.94 -0.60 114.93 117.43 2qrw h MET 50 Ca 0.05 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2qrw h MET 50 Cb 0.24 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2qrw h MET 50 CO -0.13 0.65 -0.08 0.35 1.06 0.00 0.00 176.91 178.76 2qrw h PHE 51 N 1.01 -0.21 -0.76 -0.22 3.57 -0.79 -1.58 116.94 117.97 2qrw h PHE 51 Ca 0.36 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 2qrw h PHE 51 Cb 0.11 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2qrw h PHE 51 CO -0.03 -0.12 0.32 -0.07 -2.23 0.00 0.00 178.31 176.17 2qrw h LEU 52 N -0.23 1.03 -0.44 0.59 3.38 -1.05 0.23 115.31 118.82 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 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qrw h LEU 52 CO 0.04 0.90 0.27 -0.33 0.09 0.00 0.00 178.44 179.41 2qrw h GLU 53 N 1.10 0.58 -0.36 1.13 5.08 -0.96 -2.05 114.58 119.10 2qrw h GLU 53 Ca 0.26 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2qrw h GLU 53 Cb 0.19 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2qrw h GLU 53 CO -0.02 0.41 -0.17 0.37 -1.00 0.00 0.00 179.01 178.60 2qrw h GLN 54 N 0.58 0.74 -0.64 2.33 4.15 -0.85 0.27 115.11 121.70 2qrw h GLN 54 Ca 0.16 -0.32 0.13 0.00 0.77 0.00 0.00 58.65 59.38 2qrw h GLN 54 Cb -0.03 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 27.54 2qrw h GLN 54 CO -0.03 0.93 0.12 -0.92 -1.93 0.00 0.00 178.83 177.00 2qrw h TYR 55 N 0.53 0.18 -0.31 3.99 5.03 -0.33 -1.71 116.97 124.35 2qrw h TYR 55 Ca 0.08 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.43 2qrw h TYR 55 Cb 0.71 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.01 2qrw h TYR 55 CO 0.06 -0.07 0.00 0.91 -1.32 0.00 0.00 178.16 177.73 2qrw n TRP 56 N -5.17 0.51 0.00 -3.82 7.02 -0.79 -4.87 117.44 110.32 2qrw n TRP 56 Ca 0.10 -0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 2qrw n TRP 56 Cb 0.37 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 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 0.88 1.01 0.00 6.99 0.00 -0.64 -1.44 105.19 111.99 2qrw n GLY 57 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.46 0.27 3.72 -0.02 0.00 0.95 -4.87 105.19 103.79 2qrw n GLY 58 Ca 0.00 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2qrw n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qrw n PRO 59 N 0.00 1.36 -0.06 1.61 -0.02 -1.26 -4.62 135.00 132.01 2qrw n PRO 59 Ca 0.00 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 62.00 2qrw n PRO 59 Cb 0.00 -2.49 0.04 0.00 -0.02 0.00 0.00 33.50 31.03 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 -1.31 1.28 0.05 -0.52 1.74 -1.26 -3.70 116.66 112.93 2qrw n ARG 60 Ca 0.13 -0.33 0.11 0.00 -0.77 0.00 0.00 57.85 56.99 2qrw n ARG 60 Cb 0.46 -1.22 0.45 0.00 -1.02 0.00 0.00 32.46 31.14 2qrw n ARG 60 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2qrw n THR 61 N -0.15 0.61 0.09 0.55 5.66 -1.26 -1.64 114.28 118.14 2qrw n THR 61 Ca 0.03 0.08 -0.04 0.00 -3.05 0.00 0.00 64.05 61.07 2qrw n THR 61 Cb 0.15 -0.82 -0.02 0.00 -1.55 0.00 0.00 70.33 68.10 2qrw n THR 61 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 2qrw h TYR 62 N 0.00 -0.22 -0.30 1.09 3.20 -1.77 -3.04 116.97 115.92 2qrw h TYR 62 Ca 0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2qrw h TYR 62 Cb 0.43 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2qrw h TYR 62 CO 0.00 -0.14 0.23 0.66 -1.64 0.00 0.00 178.16 177.27 2qrw h SER 63 N -0.26 0.00 -0.01 -2.11 4.64 -1.49 0.37 113.55 114.69 2qrw h SER 63 Ca -0.02 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 2qrw h SER 63 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2qrw h SER 63 CO 0.04 0.00 -0.34 -0.33 -0.87 0.00 0.00 176.83 175.33 2qrw h GLU 64 N 0.00 0.48 0.01 4.77 5.08 -1.58 0.41 114.58 123.75 2qrw h GLU 64 Ca 0.14 -0.22 -0.33 0.00 -1.00 0.00 0.00 59.36 57.96 2qrw h GLU 64 Cb 0.61 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 2qrw h GLU 64 CO -0.00 0.76 -1.99 1.04 -1.00 0.00 0.00 179.01 177.82 2qrw n GLN 65 N -4.07 0.66 -0.00 2.33 6.02 -0.14 -4.60 117.38 117.59 2qrw n GLN 65 Ca -0.01 0.19 0.05 0.00 -0.01 0.00 0.00 57.00 57.22 2qrw n GLN 65 Cb 0.46 -1.68 -0.07 0.00 1.02 0.00 0.00 30.24 29.97 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 -2.99 1.82 0.00 -1.09 5.12 0.11 -5.10 116.66 114.53 2qrw n ARG 66 Ca -0.25 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.62 2qrw n ARG 66 Cb 1.09 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 31.26 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 1.60 -1.85 3.77 -0.13 0.00 0.13 -4.91 105.19 103.80 2qrw n GLY 67 Ca -0.00 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 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 2.74 0.23 1.61 5.65 -1.26 -4.29 115.29 119.97 2qrw s HIS 68 Ca 0.00 1.06 -0.30 0.00 0.25 0.00 0.00 55.06 56.07 2qrw s HIS 68 Cb 0.00 -3.98 -0.10 0.00 -1.18 0.00 0.00 32.58 27.33 2qrw s HIS 68 CO 0.00 -3.01 1.42 -2.14 -0.65 0.00 0.00 174.74 170.36 2qrw s PRO 69 N -1.39 4.29 -0.38 2.88 0.02 -1.26 -4.92 135.00 134.24 2qrw s PRO 69 Ca 0.56 2.25 0.10 0.00 0.02 0.00 0.00 61.00 63.93 2qrw s PRO 69 Cb -0.46 -3.13 0.30 0.00 0.02 0.00 0.00 34.50 31.23 2qrw s PRO 69 CO 0.55 -0.39 0.63 0.54 -0.33 0.00 0.00 177.00 178.00 2qrw n ARG 70 N 2.46 0.84 -0.22 5.54 1.74 -1.26 -5.01 116.66 120.75 2qrw n ARG 70 Ca 0.07 -3.28 -0.07 0.00 -0.77 0.00 0.00 57.85 53.80 2qrw n ARG 70 Cb 0.41 -1.46 0.07 0.00 -1.02 0.00 0.00 32.46 30.46 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 3.50 1.01 -0.54 0.55 3.38 -1.98 -0.23 115.31 121.00 2qrw h LEU 71 Ca 0.08 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2qrw h LEU 71 Cb 0.93 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2qrw h LEU 71 CO 0.48 1.01 0.35 -0.09 0.09 0.00 0.00 178.44 180.27 2qrw h ARG 72 N 0.99 0.68 -0.04 1.13 2.43 -1.96 -0.33 114.38 117.29 2qrw h ARG 72 Ca 0.20 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 2qrw h ARG 72 Cb 0.43 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2qrw h ARG 72 CO 0.01 0.45 -0.43 1.98 -1.51 0.00 0.00 179.97 180.47 2qrw h MET 73 N 0.70 0.09 0.00 0.20 4.05 -1.81 -1.76 114.93 116.40 2qrw h MET 73 Ca 0.21 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.47 2qrw h MET 73 Cb -0.04 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 2qrw h MET 73 CO -0.06 0.51 -0.54 0.00 0.23 0.00 0.00 176.91 177.05 2qrw h ARG 74 N 0.07 0.00 -0.00 0.39 2.47 -0.35 -2.88 114.38 114.08 2qrw h ARG 74 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2qrw h ARG 74 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2qrw h ARG 74 CO 0.06 0.54 -0.44 0.72 0.56 0.00 0.00 179.97 181.40 2qrw n HIS 75 N -3.51 0.00 -0.11 3.04 8.25 -0.20 -4.40 115.22 118.29 2qrw n HIS 75 Ca -0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 2qrw n HIS 75 Cb 0.63 -0.28 0.45 0.00 1.12 0.00 0.00 29.99 31.92 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 3.01 1.90 0.00 -1.41 0.00 -1.09 -1.86 119.26 119.81 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 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qrw h ALA 76 CO 0.00 -0.03 0.00 -1.35 0.00 0.00 0.00 179.25 177.87 2qrw h PRO 77 N 0.52 0.00 -6.24 0.00 0.11 -1.77 -3.43 132.00 121.19 2qrw h PRO 77 Ca 0.28 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.71 2qrw h PRO 77 Cb 0.43 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.35 2qrw h PRO 77 CO -0.09 0.00 -0.71 -0.06 -0.21 0.00 0.00 178.00 176.93 2qrw s PHE 78 N -3.50 2.88 -0.71 0.65 0.40 -0.70 -5.07 117.98 111.93 2qrw s PHE 78 Ca 0.00 -0.03 -0.25 0.00 -0.60 0.00 0.00 56.93 56.05 2qrw s PHE 78 Cb 0.08 -1.65 0.05 0.00 0.51 0.00 0.00 43.02 42.01 2qrw s PHE 78 CO 0.30 0.33 1.13 1.03 0.70 0.00 0.00 175.22 178.70 2qrw s ARG 79 N -1.05 3.16 -0.57 0.44 0.52 -1.26 -4.92 118.95 115.29 2qrw s ARG 79 Ca 0.14 -0.56 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 2qrw s ARG 79 Cb -0.11 -4.23 0.14 0.00 0.52 0.00 0.00 34.95 31.27 2qrw s ARG 79 CO 0.04 -1.99 0.47 0.42 0.02 0.00 0.00 175.30 174.26 2qrw s ILE 80 N 4.89 4.65 0.38 1.52 1.01 -1.26 -4.91 121.20 127.48 2qrw s ILE 80 Ca 0.29 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 58.99 2qrw s ILE 80 Cb -0.12 -4.00 0.07 0.00 0.01 0.00 0.00 42.46 38.42 2qrw s ILE 80 CO 0.12 -0.85 0.52 -1.54 0.00 0.00 0.00 174.94 173.19 2qrw n SER 81 N 4.69 0.76 -0.16 3.58 3.41 -1.25 -1.02 113.62 123.63 2qrw n SER 81 Ca -0.04 -1.63 0.13 0.00 -0.26 0.00 0.00 58.87 57.07 2qrw n SER 81 Cb 0.41 -0.33 0.47 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.45 -0.11 1.04 4.07 -1.91 -1.14 115.31 117.72 2qrw h LEU 82 Ca -0.17 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 2qrw h LEU 82 Cb 0.65 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2qrw h LEU 82 CO 0.19 0.25 0.06 0.40 -1.08 0.00 0.00 178.44 178.26 2qrw h ILE 83 N 0.49 1.11 -0.51 1.22 2.04 -1.95 -0.20 117.51 119.70 2qrw h ILE 83 Ca 0.35 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 2qrw h ILE 83 Cb 0.69 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2qrw h ILE 83 CO -0.12 0.09 -0.15 -0.33 0.00 0.00 0.00 178.15 177.64 2qrw h GLU 84 N 0.06 1.01 -0.19 2.37 3.07 -1.81 -1.50 114.58 117.59 2qrw h GLU 84 Ca 0.04 -0.40 0.05 0.00 -0.50 0.00 0.00 59.36 58.55 2qrw h GLU 84 Cb 0.10 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 2qrw h GLU 84 CO -0.01 1.08 -0.12 -0.09 -1.40 0.00 0.00 179.01 178.48 2qrw h ARG 85 N 0.87 -0.11 -0.72 2.33 2.43 -1.08 0.20 114.38 118.30 2qrw h ARG 85 Ca 0.13 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2qrw h ARG 85 Cb 0.73 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 2qrw h ARG 85 CO 0.06 -0.07 0.34 -0.44 -1.51 0.00 0.00 179.97 178.34 2qrw h ASP 86 N -0.12 0.94 -0.55 -3.80 3.32 -0.86 -0.88 116.42 114.47 2qrw h ASP 86 Ca 0.11 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2qrw h ASP 86 Cb 0.28 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2qrw h ASP 86 CO -0.26 0.82 0.24 0.00 -1.72 0.00 0.00 179.24 178.32 2qrw h ALA 87 N 1.17 0.72 -0.30 3.45 0.00 -1.03 -0.34 119.26 122.92 2qrw h ALA 87 Ca 0.25 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2qrw h ALA 87 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2qrw h ALA 87 CO -0.03 0.30 0.10 0.35 0.00 0.00 0.00 179.25 179.97 2qrw h PHE 88 N 0.75 0.17 -0.52 0.00 3.57 -0.73 -2.09 116.94 118.10 2qrw h PHE 88 Ca 0.19 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 2qrw h PHE 88 Cb 0.16 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2qrw h PHE 88 CO 0.00 0.07 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.05 2qrw h LEU 89 N 0.22 0.87 -0.35 0.59 4.07 -0.90 -0.48 115.31 119.34 2qrw h LEU 89 Ca 0.13 -0.24 0.01 0.00 0.08 0.00 0.00 57.88 57.86 2qrw h LEU 89 Cb 0.11 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 2qrw h LEU 89 CO -0.15 0.95 0.22 0.03 -1.08 0.00 0.00 178.44 178.42 2qrw h ARG 90 N 0.82 0.44 -0.43 1.13 3.08 -0.87 0.54 114.38 119.09 2qrw h ARG 90 Ca 0.15 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 2qrw h ARG 90 Cb 0.53 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2qrw h ARG 90 CO 0.03 0.29 -0.18 0.00 -1.07 0.00 0.00 179.97 179.04 2qrw h MET 92 N 0.74 0.62 -0.76 0.00 1.85 -0.95 -1.40 114.93 115.03 2qrw h MET 92 Ca 0.11 -0.21 0.01 0.00 -0.61 0.00 0.00 59.70 59.00 2qrw h MET 92 Cb 0.70 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.64 2qrw h MET 92 CO 0.05 0.75 0.49 0.45 -0.40 0.00 0.00 176.91 178.25 2qrw h HIS 93 N 0.43 0.96 -0.32 1.39 -0.00 -0.68 -0.34 115.15 116.59 2qrw h HIS 93 Ca 0.10 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.51 2qrw h HIS 93 Cb 0.48 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 27.54 2qrw h HIS 93 CO 0.04 0.61 0.13 1.15 -0.00 0.00 0.00 177.93 179.87 2qrw h THR 94 N 1.03 0.95 -0.34 2.45 2.02 -1.26 0.68 112.91 118.44 2qrw h THR 94 Ca 0.28 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.36 2qrw h THR 94 Cb -0.10 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2qrw h THR 94 CO -0.06 0.05 0.22 0.00 0.37 0.00 0.00 175.52 176.10 2qrw h ALA 95 N 1.18 0.43 -0.46 6.16 0.00 -0.75 -2.29 119.26 123.53 2qrw h ALA 95 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2qrw h ALA 95 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2qrw h ALA 95 CO -0.12 -0.10 0.03 0.28 0.00 0.00 0.00 179.25 179.34 2qrw h VAL 96 N 0.45 1.23 0.00 0.00 2.07 -0.87 -2.14 116.25 116.99 2qrw h VAL 96 Ca 0.12 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2qrw h VAL 96 Cb -0.04 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2qrw h VAL 96 CO -0.03 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.89 2qrw h ALA 97 N 1.33 1.00 0.00 1.67 0.00 -0.31 -1.62 119.26 121.34 2qrw h ALA 97 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qrw h ALA 97 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qrw h ALA 97 CO 0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 2qrw n SER 98 N -2.75 0.16 -4.72 0.00 3.41 -0.80 -4.77 113.62 104.15 2qrw n SER 98 Ca -0.01 0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 58.74 2qrw n SER 98 Cb 0.15 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.47 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 -3.02 5.21 0.78 -1.33 -1.09 -0.61 -5.07 121.20 116.07 2qrw s ILE 99 Ca 0.13 0.86 -0.11 0.00 -2.23 0.00 0.00 60.65 59.29 2qrw s ILE 99 Cb 0.17 -3.78 0.06 0.00 -1.58 0.00 0.00 42.46 37.33 2qrw s ILE 99 CO 0.52 0.33 1.09 1.51 -1.23 0.00 0.00 174.94 177.15 2qrw s ASP 100 N 0.63 4.55 0.47 3.58 3.84 -1.26 -4.81 116.67 123.68 2qrw s ASP 100 Ca 0.24 1.48 0.26 0.00 -0.00 0.00 0.00 52.55 54.53 2qrw s ASP 100 Cb -0.15 -2.24 0.68 0.00 -1.38 0.00 0.00 42.92 39.84 2qrw s ASP 100 CO 0.09 -1.95 1.73 0.77 -0.00 0.00 0.00 175.17 175.81 2qrw h SER 101 N -1.07 0.00 0.19 2.11 4.64 -1.98 -0.58 113.55 116.85 2qrw h SER 101 Ca -0.46 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.70 2qrw h SER 101 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2qrw h SER 101 CO 0.57 0.00 -0.59 -0.08 -0.87 0.00 0.00 176.83 175.85 2qrw h GLU 102 N 0.00 0.41 0.02 4.77 4.81 -1.98 -3.03 114.58 119.57 2qrw h GLU 102 Ca 0.00 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2qrw h GLU 102 Cb 0.83 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2qrw h GLU 102 CO 0.00 0.88 -0.01 1.15 -0.73 0.00 0.00 179.01 180.30 2qrw h THR 103 N 0.30 1.46 -3.57 0.32 2.02 -1.83 -3.43 112.91 108.18 2qrw h THR 103 Ca -0.00 -1.78 -0.65 0.00 0.77 0.00 0.00 66.41 64.75 2qrw h THR 103 Cb 1.12 2.61 -0.40 0.00 -1.74 0.00 0.00 68.15 69.74 2qrw h THR 103 CO 0.10 0.44 -0.72 -0.22 0.37 0.00 0.00 175.52 175.49 2qrw s LEU 104 N -8.62 4.31 0.96 2.58 2.96 -0.26 -4.51 118.68 116.10 2qrw s LEU 104 Ca -0.16 -2.15 -0.13 0.00 -0.22 0.00 0.00 54.13 51.47 2qrw s LEU 104 Cb -0.01 -1.50 0.17 0.00 0.50 0.00 0.00 46.19 45.34 2qrw s LEU 104 CO 0.62 -0.37 1.14 1.51 -1.32 0.00 0.00 176.35 177.92 2qrw s ASP 105 N 0.92 3.04 0.21 3.68 1.47 -1.15 -4.24 116.67 120.61 2qrw s ASP 105 Ca 0.11 0.92 -0.09 0.00 1.18 0.00 0.00 52.55 54.67 2qrw s ASP 105 Cb -0.19 -1.44 0.25 0.00 -0.34 0.00 0.00 42.92 41.20 2qrw s ASP 105 CO -0.10 -2.84 1.80 0.44 0.68 0.00 0.00 175.17 175.16 2qrw h ASP 106 N -1.69 0.53 -0.27 2.11 3.32 -1.99 0.19 116.42 118.62 2qrw h ASP 106 Ca -0.50 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 2qrw h ASP 106 Cb 1.32 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2qrw h ASP 106 CO 0.57 0.34 0.03 -0.33 -1.72 0.00 0.00 179.24 178.13 2qrw h GLU 107 N 0.66 0.45 -0.40 3.56 5.08 -1.99 -0.99 114.58 120.96 2qrw h GLU 107 Ca 0.31 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2qrw h GLU 107 Cb 0.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2qrw h GLU 107 CO -0.20 0.58 -0.25 0.45 -1.00 0.00 0.00 179.01 178.60 2qrw h HIS 108 N 0.26 0.95 -0.43 4.33 3.86 -1.83 -1.43 115.15 120.86 2qrw h HIS 108 Ca 0.08 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 2qrw h HIS 108 Cb 0.36 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2qrw h HIS 108 CO 0.02 0.99 0.23 -0.09 0.86 0.00 0.00 177.93 179.94 2qrw h ARG 109 N 0.71 0.60 -0.43 2.45 2.43 -0.53 -0.82 114.38 118.78 2qrw h ARG 109 Ca 0.09 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2qrw h ARG 109 Cb 0.78 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2qrw h ARG 109 CO 0.06 0.50 0.27 -0.09 -1.51 0.00 0.00 179.97 179.20 2qrw h ARG 110 N 0.56 0.59 -0.41 0.20 2.43 -1.07 -1.33 114.38 115.35 2qrw h ARG 110 Ca 0.15 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2qrw h ARG 110 Cb 0.08 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2qrw h ARG 110 CO -0.02 0.43 0.21 1.49 -1.51 0.00 0.00 179.97 180.56 2qrw h GLU 111 N 0.58 0.58 -0.22 0.20 4.81 -0.99 0.47 114.58 120.01 2qrw h GLU 111 Ca 0.16 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2qrw h GLU 111 Cb -0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2qrw h GLU 111 CO -0.03 0.49 0.08 1.25 -0.73 0.00 0.00 179.01 180.06 2qrw h LEU 112 N 0.52 0.31 -0.83 1.64 5.85 -1.04 -1.40 115.31 120.36 2qrw h LEU 112 Ca 0.14 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2qrw h LEU 112 Cb 0.09 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2qrw h LEU 112 CO -0.02 0.41 0.06 -0.07 -0.34 0.00 0.00 178.44 178.47 2qrw h LEU 113 N 0.19 0.90 -0.73 2.25 4.07 -1.15 -1.28 115.31 119.56 2qrw h LEU 113 Ca 0.07 -0.21 -0.05 0.00 0.08 0.00 0.00 57.88 57.77 2qrw h LEU 113 Cb 0.20 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 2qrw h LEU 113 CO -0.00 0.92 0.26 0.44 -1.08 0.00 0.00 178.44 178.98 2qrw h ASP 114 N 0.88 1.03 0.40 -0.43 3.32 -0.78 -1.84 116.42 119.00 2qrw h ASP 114 Ca 0.17 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2qrw h ASP 114 Cb 0.44 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2qrw h ASP 114 CO 0.02 0.94 -0.19 0.22 -1.72 0.00 0.00 179.24 178.50 2qrw h TYR 115 N 1.06 -0.50 -1.00 4.55 5.03 -0.92 -2.17 116.97 123.01 2qrw h TYR 115 Ca 0.24 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.61 2qrw h TYR 115 Cb 0.25 0.17 -0.07 0.00 1.55 0.00 0.00 36.73 38.63 2qrw h TYR 115 CO 0.02 -0.27 0.65 -0.07 -1.32 0.00 0.00 178.16 177.17 2qrw h LEU 116 N -0.62 1.03 -0.25 2.82 3.38 -1.16 0.82 115.31 121.32 2qrw h LEU 116 Ca -0.06 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2qrw h LEU 116 Cb 0.46 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2qrw h LEU 116 CO 0.09 0.64 -0.22 -0.33 0.09 0.00 0.00 178.44 178.71 2qrw h GLU 117 N 1.16 0.60 -0.28 1.13 5.08 -1.29 -0.90 114.58 120.08 2qrw h GLU 117 Ca 0.44 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2qrw h GLU 117 Cb 0.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2qrw h GLU 117 CO -0.18 0.90 -0.37 0.00 -1.00 0.00 0.00 179.01 178.35 2qrw h MET 118 N 0.31 0.64 -0.58 2.33 -0.00 -1.06 -2.39 114.93 114.17 2qrw h MET 118 Ca 0.04 -0.32 -0.05 0.00 -0.00 0.00 0.00 59.70 59.38 2qrw h MET 118 Cb 0.77 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.35 2qrw h MET 118 CO 0.06 0.91 0.17 0.00 -0.00 0.00 0.00 176.91 178.05 2qrw h ALA 119 N 1.05 0.77 -0.42 -3.00 0.00 -0.78 -2.08 119.26 114.80 2qrw h ALA 119 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2qrw h ALA 119 Cb 0.89 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2qrw h ALA 119 CO 0.08 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.97 2qrw h ALA 120 N 1.05 0.54 -0.81 0.00 0.00 -1.14 -2.07 119.26 116.83 2qrw h ALA 120 Ca 0.19 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2qrw h ALA 120 Cb 0.30 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2qrw h ALA 120 CO -0.00 0.11 0.50 0.45 0.00 0.00 0.00 179.25 180.31 2qrw h HIS 121 N 0.53 0.93 0.00 0.00 3.86 -1.42 -2.19 115.15 116.86 2qrw h HIS 121 Ca 0.14 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2qrw h HIS 121 Cb 0.14 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2qrw h HIS 121 CO -0.01 0.49 0.00 0.77 0.86 0.00 0.00 177.93 180.04 2qrw h SER 122 N 0.93 0.00 -0.02 2.45 0.02 -0.96 -2.77 113.55 113.20 2qrw h SER 122 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2qrw h SER 122 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2qrw h SER 122 CO -0.16 0.00 -0.25 0.18 -1.14 0.00 0.00 176.83 175.46 2qrw n LEU 123 N -2.34 2.47 -4.71 5.07 4.77 -0.82 -4.94 117.00 116.51 2qrw n LEU 123 Ca 0.01 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.70 2qrw n LEU 123 Cb 0.19 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2qrw n LEU 123 CO 0.18 0.43 1.40 -0.69 -1.33 0.00 0.00 177.39 177.39 2qrw s VAL 124 N -2.24 2.17 0.00 4.08 1.01 -1.05 -4.85 120.40 119.53 2qrw s VAL 124 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2qrw s VAL 124 Cb 0.19 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2qrw s VAL 124 CO 0.44 0.00 0.86 -0.46 0.00 0.00 0.00 175.10 175.94 2qrw n ASN 125 N 4.48 0.00 -3.68 3.32 0.23 -0.19 -5.04 115.26 114.37 2qrw n ASN 125 Ca 0.16 -1.71 -0.13 0.00 -0.53 0.00 0.00 54.58 52.37 2qrw n ASN 125 Cb 0.36 -0.14 -0.09 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 -0.71 -0.59 0.07 0.53 0.15 -1.04 -4.76 113.70 107.34 2qrw s SER 126 Ca 0.00 1.13 0.26 0.00 0.70 0.00 0.00 55.95 58.03 2qrw s SER 126 Cb 0.00 1.13 1.02 0.00 -1.71 0.00 0.00 66.02 66.46 2qrw s SER 126 CO 0.00 -0.20 1.80 -0.81 1.20 0.00 0.00 173.24 175.24 2qrw n PRO 127 N 2.91 0.08 0.00 5.44 -0.04 -1.26 -3.95 135.00 138.17 2qrw n PRO 127 Ca -0.14 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2qrw n PRO 127 Cb 0.56 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2qrw n PRO 127 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43