#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n LYS 2 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.93 118.16 111.97 2qbk n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2qbk n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2qbk n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2qbk n THR 3 N 0.00 0.00 -1.48 0.58 -2.24 -1.26 -4.74 114.28 105.14 2qbk n THR 3 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qbk n THR 3 Cb 0.00 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 2qbk n THR 3 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2qbk n ILE 4 N -1.80 -4.97 -4.10 2.28 2.08 -1.26 -2.87 119.36 108.71 2qbk n ILE 4 Ca 0.00 2.11 -0.22 0.00 0.56 0.00 0.00 62.75 65.20 2qbk n ILE 4 Cb 0.19 -3.00 -0.17 0.00 -0.75 0.00 0.00 39.64 35.91 2qbk n ILE 4 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2qbk s LYS 5 N -2.48 0.97 0.25 0.38 1.02 0.20 -1.62 119.74 118.47 2qbk s LYS 5 Ca 0.00 -0.12 0.12 0.00 0.02 0.00 0.00 55.97 55.99 2qbk s LYS 5 Cb 0.00 -1.02 -0.05 0.00 -0.52 0.00 0.00 37.83 36.24 2qbk s LYS 5 CO 0.00 -0.14 -0.19 0.96 -0.92 0.00 0.00 175.35 175.06 2qbk s ILE 6 N 1.20 2.55 0.32 2.17 -0.00 -0.34 0.35 121.20 127.44 2qbk s ILE 6 Ca -0.06 -2.23 0.10 0.00 -0.00 0.00 0.00 60.65 58.46 2qbk s ILE 6 Cb -0.14 -2.30 -0.06 0.00 -0.00 0.00 0.00 42.46 39.96 2qbk s ILE 6 CO -0.02 -0.30 -0.12 -0.89 -0.00 0.00 0.00 174.94 173.61 2qbk s THR 7 N -2.22 2.36 0.11 8.37 2.01 -0.76 0.06 115.64 125.58 2qbk s THR 7 Ca 0.27 -2.25 0.11 0.00 0.31 0.00 0.00 61.69 60.13 2qbk s THR 7 Cb -0.06 -2.55 -0.07 0.00 0.01 0.00 0.00 72.50 69.83 2qbk s THR 7 CO 0.14 -0.27 1.45 -0.61 -0.69 0.00 0.00 174.62 174.64 2qbk h GLN 8 N 2.09 0.00 0.00 4.92 4.15 -1.81 -2.05 115.11 122.41 2qbk h GLN 8 Ca -0.41 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.01 2qbk h GLN 8 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2qbk h GLN 8 CO 0.67 0.74 0.00 2.41 -1.93 0.00 0.00 178.83 180.72 2qbk n THR 9 N -3.46 0.00 -3.85 2.39 -1.04 -0.94 -4.24 114.28 103.13 2qbk n THR 9 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 2qbk n THR 9 Cb 0.77 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.26 2qbk n THR 9 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2qbk s ARG 10 N 0.00 3.45 0.66 -2.82 0.52 -1.23 -4.80 118.95 114.74 2qbk s ARG 10 Ca 0.00 -0.62 -0.17 0.00 -0.52 0.00 0.00 55.73 54.42 2qbk s ARG 10 Cb 0.00 -2.86 -0.00 0.00 0.52 0.00 0.00 34.95 32.61 2qbk s ARG 10 CO 0.00 0.40 1.22 0.45 0.02 0.00 0.00 175.30 177.39 2qbk s SER 11 N -3.77 4.68 -0.41 0.23 0.15 -1.26 -4.90 113.70 108.41 2qbk s SER 11 Ca 0.35 2.42 0.04 0.00 0.70 0.00 0.00 55.95 59.47 2qbk s SER 11 Cb -0.10 -2.60 0.46 0.00 -1.71 0.00 0.00 66.02 62.08 2qbk s SER 11 CO 0.30 -1.94 1.49 0.00 1.20 0.00 0.00 173.24 174.29 2qbk n ALA 12 N -2.12 5.33 -0.40 5.45 0.00 -1.26 -4.82 120.51 122.69 2qbk n ALA 12 Ca 0.14 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.98 2qbk n ALA 12 Cb 0.50 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2qbk n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qbk n ILE 13 N -0.84 0.00 -1.27 0.00 5.41 -1.26 -4.13 119.36 117.28 2qbk n ILE 13 Ca 0.48 0.79 -0.21 0.00 1.00 0.00 0.00 62.75 64.81 2qbk n ILE 13 Cb 0.89 -1.58 -0.09 0.00 -0.71 0.00 0.00 39.64 38.15 2qbk n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qbk n GLY 14 N 0.75 3.85 3.70 7.39 0.00 -1.26 -4.92 105.19 114.69 2qbk n GLY 14 Ca 0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 2qbk n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbk s ARG 15 N -0.81 2.57 0.51 1.61 3.00 -1.26 -5.09 118.95 119.49 2qbk s ARG 15 Ca 0.58 -0.85 -0.20 0.00 0.00 0.00 0.00 55.73 55.26 2qbk s ARG 15 Cb 0.34 -2.54 -0.09 0.00 0.00 0.00 0.00 34.95 32.66 2qbk s ARG 15 CO -0.13 0.53 0.69 1.28 0.00 0.00 0.00 175.30 177.67 2qbk n LEU 16 N 0.47 1.37 -0.35 2.53 7.99 -1.26 -4.69 117.00 123.07 2qbk n LEU 16 Ca -0.10 0.84 0.01 0.00 -0.01 0.00 0.00 56.01 56.75 2qbk n LEU 16 Cb 0.52 -1.23 0.15 0.00 -0.11 0.00 0.00 43.42 42.76 2qbk n LEU 16 CO 0.40 -2.53 1.24 -0.65 -1.51 0.00 0.00 177.39 174.33 2qbk h PRO 17 N 0.66 1.08 0.00 3.23 0.11 -1.99 0.26 132.00 135.36 2qbk h PRO 17 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qbk h PRO 17 Cb 1.38 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qbk h PRO 17 CO 0.50 0.72 0.00 1.63 -0.21 0.00 0.00 178.00 180.64 2qbk n LYS 18 N -4.54 0.34 -0.07 1.05 4.76 -1.26 -1.34 118.16 117.11 2qbk n LYS 18 Ca 0.14 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.46 2qbk n LYS 18 Cb 0.16 -1.42 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 2qbk n LYS 18 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2qbk n HIS 19 N -0.92 0.00 -0.25 2.13 8.25 0.03 -3.97 115.22 120.50 2qbk n HIS 19 Ca 0.07 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.74 2qbk n HIS 19 Cb 0.03 -0.49 0.54 0.00 1.12 0.00 0.00 29.99 31.19 2qbk n HIS 19 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2qbk h LYS 20 N -0.71 0.34 0.57 -0.41 1.57 -1.17 0.76 116.57 117.52 2qbk h LYS 20 Ca -0.19 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2qbk h LYS 20 Cb 0.99 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.22 2qbk h LYS 20 CO -0.12 0.22 -0.28 0.00 -0.57 0.00 0.00 179.45 178.71 2qbk h ALA 21 N 1.60 -0.77 -0.91 3.86 0.00 -1.43 -0.93 119.26 120.68 2qbk h ALA 21 Ca 0.48 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2qbk h ALA 21 Cb 1.30 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 2qbk h ALA 21 CO -0.17 -0.87 0.57 1.79 0.00 0.00 0.00 179.25 180.57 2qbk h THR 22 N -0.89 1.04 -0.98 0.00 1.35 -1.01 0.17 112.91 112.59 2qbk h THR 22 Ca -0.08 -0.35 0.21 0.00 -0.55 0.00 0.00 66.41 65.64 2qbk h THR 22 Cb 0.63 -0.08 -0.09 0.00 -1.73 0.00 0.00 68.15 66.89 2qbk h THR 22 CO 0.13 0.19 0.62 0.25 -0.25 0.00 0.00 175.52 176.46 2qbk h LEU 23 N 1.03 0.57 0.13 3.87 7.12 0.80 0.00 115.31 128.84 2qbk h LEU 23 Ca 0.40 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.48 2qbk h LEU 23 Cb 0.20 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 2qbk h LEU 23 CO -0.18 0.19 -0.06 0.25 -0.13 0.00 0.00 178.44 178.50 2qbk h LEU 24 N 0.55 -0.15 -1.60 2.25 5.85 0.73 -2.27 115.31 120.67 2qbk h LEU 24 Ca 0.55 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 59.08 2qbk h LEU 24 Cb 1.14 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2qbk h LEU 24 CO -0.29 0.19 0.57 1.23 -0.34 0.00 0.00 178.44 179.80 2qbk h GLY 25 N -0.52 0.00 0.67 3.75 0.00 -0.52 0.90 103.07 107.37 2qbk h GLY 25 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 2qbk h GLY 25 CO 0.03 0.00 -1.60 1.04 0.00 0.00 0.00 176.54 176.01 2qbk n LEU 26 N -3.16 0.59 0.00 3.11 4.77 -0.97 -4.97 117.00 116.36 2qbk n LEU 26 Ca 0.05 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2qbk n LEU 26 Cb 0.69 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2qbk n LEU 26 CO 0.18 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2qbk n GLY 27 N 1.39 1.26 3.51 -0.72 0.00 0.31 -4.93 105.19 106.01 2qbk n GLY 27 Ca -0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.45 2qbk n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbk n LEU 28 N 0.00 2.49 0.00 0.99 4.77 -1.18 -4.87 117.00 119.20 2qbk n LEU 28 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2qbk n LEU 28 Cb 0.00 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 2qbk n LEU 28 CO 0.00 -0.81 0.00 0.54 -1.33 0.00 0.00 177.39 175.79 2qbk n ARG 29 N 8.50 0.00 -1.75 3.23 1.74 -1.26 -4.82 116.66 122.30 2qbk n ARG 29 Ca 0.38 0.10 -0.29 0.00 -0.77 0.00 0.00 57.85 57.26 2qbk n ARG 29 Cb 0.33 -0.44 0.16 0.00 -1.02 0.00 0.00 32.46 31.49 2qbk n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2qbk s ARG 30 N -0.44 0.80 0.00 5.56 3.00 -1.26 -4.93 118.95 121.69 2qbk s ARG 30 Ca 0.00 -0.12 0.21 0.00 0.00 0.00 0.00 55.73 55.82 2qbk s ARG 30 Cb 0.00 -1.84 1.11 0.00 0.00 0.00 0.00 34.95 34.22 2qbk s ARG 30 CO 0.00 -2.35 1.67 0.44 0.00 0.00 0.00 175.30 175.06 2qbk n ILE 31 N -3.79 0.28 -1.84 1.52 -5.35 -1.26 -2.67 119.36 106.27 2qbk n ILE 31 Ca 0.12 0.07 0.02 0.00 -0.27 0.00 0.00 62.75 62.69 2qbk n ILE 31 Cb 0.60 -0.73 0.03 0.00 -1.74 0.00 0.00 39.64 37.80 2qbk n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qbk n GLY 32 N 0.47 1.43 0.41 3.28 0.00 -1.26 -2.22 105.19 107.29 2qbk n GLY 32 Ca 0.11 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2qbk n GLY 32 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qbk h HIS 33 N 0.05 -1.32 -3.97 1.61 2.76 -1.86 -3.45 115.15 108.96 2qbk h HIS 33 Ca -0.01 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2qbk h HIS 33 Cb 1.34 0.57 0.00 0.00 1.55 0.00 0.00 27.41 30.87 2qbk h HIS 33 CO 0.09 -0.50 -0.88 2.41 -1.30 0.00 0.00 177.93 177.75 2qbk n THR 34 N -5.00 -9.81 -4.03 6.26 -1.04 -1.25 -4.96 114.28 94.45 2qbk n THR 34 Ca -0.07 2.90 -0.09 0.00 -2.04 0.00 0.00 64.05 64.75 2qbk n THR 34 Cb 0.34 -4.48 -0.11 0.00 -1.82 0.00 0.00 70.33 64.26 2qbk n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2qbk s VAL 35 N -1.06 0.18 -0.27 12.58 0.11 0.11 -4.95 120.40 127.09 2qbk s VAL 35 Ca 0.00 -1.24 -0.07 0.00 -2.93 0.00 0.00 61.98 57.74 2qbk s VAL 35 Cb 0.00 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2qbk s VAL 35 CO 0.00 -0.67 0.07 -0.70 -3.33 0.00 0.00 175.10 170.47 2qbk s GLU 36 N -2.35 3.35 0.00 1.54 2.12 -1.26 -1.20 118.70 120.90 2qbk s GLU 36 Ca -0.07 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.57 2qbk s GLU 36 Cb -0.04 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.02 2qbk s GLU 36 CO -0.04 -0.33 0.00 -2.13 -0.54 0.00 0.00 175.26 172.22 2qbk n ARG 37 N 4.89 3.07 0.00 4.30 3.00 -0.64 -5.01 116.66 126.28 2qbk n ARG 37 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 2qbk n ARG 37 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 2qbk n ARG 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2qbk n GLU 38 N 0.00 3.16 -0.36 -0.14 4.71 -1.14 -4.38 120.64 122.49 2qbk n GLU 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2qbk n GLU 38 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2qbk n GLU 38 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2qbk n ASP 39 N 0.00 0.00 -4.71 1.62 -0.08 -1.26 -4.01 116.55 108.11 2qbk n ASP 39 Ca 0.00 -1.35 -0.43 0.00 -1.51 0.00 0.00 54.79 51.50 2qbk n ASP 39 Cb 0.00 -0.07 -0.02 0.00 2.34 0.00 0.00 41.12 43.37 2qbk n ASP 39 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2qbk n THR 40 N 0.00 1.27 -0.09 5.18 -1.04 -1.26 -4.52 114.28 113.81 2qbk n THR 40 Ca 0.00 -0.32 0.26 0.00 -2.04 0.00 0.00 64.05 61.95 2qbk n THR 40 Cb 0.57 -1.71 0.63 0.00 -1.82 0.00 0.00 70.33 68.01 2qbk n THR 40 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2qbk h PRO 41 N 3.99 0.00 0.21 -2.82 0.11 -1.99 0.53 132.00 132.02 2qbk h PRO 41 Ca -0.46 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.35 2qbk h PRO 41 Cb 1.26 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.39 2qbk h PRO 41 CO 0.73 0.00 -1.36 0.00 -0.21 0.00 0.00 178.00 177.16 2qbk h ALA 42 N 1.10 -0.07 0.00 -0.75 0.00 -1.99 -2.29 119.26 115.25 2qbk h ALA 42 Ca 0.37 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2qbk h ALA 42 Cb 2.01 0.23 0.00 0.00 0.00 0.00 0.00 17.79 20.03 2qbk h ALA 42 CO -0.00 0.68 0.00 1.51 0.00 0.00 0.00 179.25 181.44 2qbk n ILE 43 N -3.81 1.26 -0.07 0.00 0.13 0.18 -1.04 119.36 116.00 2qbk n ILE 43 Ca -0.18 0.41 -0.12 0.00 -1.10 0.00 0.00 62.75 61.75 2qbk n ILE 43 Cb 1.02 -1.31 -0.15 0.00 -0.84 0.00 0.00 39.64 38.36 2qbk n ILE 43 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 2qbk n ARG 44 N -1.79 0.67 -0.27 9.51 3.00 -0.61 -4.03 116.66 123.14 2qbk n ARG 44 Ca 0.01 0.13 -0.05 0.00 -0.00 0.00 0.00 57.85 57.95 2qbk n ARG 44 Cb 0.11 -1.62 0.06 0.00 0.00 0.00 0.00 32.46 31.01 2qbk n ARG 44 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2qbk h GLY 45 N 3.17 1.05 0.77 5.14 0.00 -0.48 -1.65 103.07 111.08 2qbk h GLY 45 Ca -0.47 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 46.51 2qbk h GLY 45 CO 0.03 0.39 0.43 -0.33 0.00 0.00 0.00 176.54 177.06 2qbk h MET 46 N 1.02 0.79 0.25 4.80 2.86 -1.64 -2.29 114.93 120.72 2qbk h MET 46 Ca 0.27 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 2qbk h MET 46 Cb -0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.36 2qbk h MET 46 CO -0.06 0.52 -0.24 0.82 1.06 0.00 0.00 176.91 179.02 2qbk h ILE 47 N 0.81 0.00 -0.94 -1.22 1.08 -1.47 -2.66 117.51 113.12 2qbk h ILE 47 Ca 0.30 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.97 2qbk h ILE 47 Cb 0.11 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 33.68 2qbk h ILE 47 CO -0.15 0.00 -0.20 -3.20 -0.69 0.00 0.00 178.15 173.92 2qbk n ASN 48 N -3.78 -0.30 -0.15 1.72 4.05 -0.75 0.11 115.26 116.15 2qbk n ASN 48 Ca -0.06 1.61 -0.04 0.00 0.45 0.00 0.00 54.58 56.55 2qbk n ASN 48 Cb 0.22 -0.50 0.03 0.00 1.23 0.00 0.00 39.78 40.76 2qbk n ASN 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qbk h ALA 49 N 1.88 0.23 -0.67 5.20 0.00 -1.09 -1.24 119.26 123.58 2qbk h ALA 49 Ca 0.47 0.18 -0.39 0.00 0.00 0.00 0.00 54.91 55.17 2qbk h ALA 49 Cb 0.76 0.46 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 2qbk h ALA 49 CO -0.95 -0.50 0.18 1.33 0.00 0.00 0.00 179.25 179.31 2qbk n VAL 50 N -5.38 2.89 0.05 0.00 0.24 0.16 -4.75 118.33 111.54 2qbk n VAL 50 Ca 0.04 -2.72 -0.13 0.00 -2.04 0.00 0.00 64.34 59.50 2qbk n VAL 50 Cb 0.29 -0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 32.03 2qbk n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2qbk h SER 51 N 1.27 -1.24 -1.00 -1.34 4.64 0.20 0.78 113.55 116.85 2qbk h SER 51 Ca 0.41 0.16 0.28 0.00 -0.47 0.00 0.00 61.79 62.17 2qbk h SER 51 Cb 1.86 0.49 -0.05 0.00 -0.31 0.00 0.00 62.40 64.39 2qbk h SER 51 CO 0.80 -0.44 0.71 2.19 -0.87 0.00 0.00 176.83 179.22 2qbk h PHE 52 N -0.54 0.13 0.08 4.77 -0.00 -1.85 -0.91 116.94 118.61 2qbk h PHE 52 Ca 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 57.89 2qbk h PHE 52 Cb 0.64 -0.04 0.01 0.00 -0.00 0.00 0.00 35.95 36.56 2qbk h PHE 52 CO -0.43 0.02 -0.65 0.52 -0.00 0.00 0.00 178.31 177.77 2qbk h MET 53 N 0.08 0.18 -7.26 6.09 2.86 -0.95 -3.45 114.93 112.48 2qbk h MET 53 Ca 0.49 -0.30 -0.45 0.00 -2.06 0.00 0.00 59.70 57.38 2qbk h MET 53 Cb 1.81 0.11 0.08 0.00 0.06 0.00 0.00 31.60 33.65 2qbk h MET 53 CO -0.06 1.14 0.20 0.14 1.06 0.00 0.00 176.91 179.40 2qbk s VAL 54 N -2.36 2.31 -0.34 -2.22 -7.23 0.24 -3.50 120.40 107.30 2qbk s VAL 54 Ca -0.17 -0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 2qbk s VAL 54 Cb 0.00 -3.00 0.12 0.00 0.56 0.00 0.00 36.38 34.07 2qbk s VAL 54 CO 0.76 0.00 0.17 -0.75 -0.31 0.00 0.00 175.10 174.97 2qbk s LYS 55 N -5.20 0.60 0.95 4.82 2.20 -0.77 -4.81 119.74 117.53 2qbk s LYS 55 Ca 0.60 -1.17 -0.11 0.00 -0.36 0.00 0.00 55.97 54.93 2qbk s LYS 55 Cb -0.11 -1.57 0.16 0.00 -1.51 0.00 0.00 37.83 34.81 2qbk s LYS 55 CO 0.44 -1.10 1.11 0.08 -0.36 0.00 0.00 175.35 175.52 2qbk s VAL 56 N 1.35 2.26 -0.13 4.02 1.01 -1.26 -1.82 120.40 125.83 2qbk s VAL 56 Ca 0.14 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2qbk s VAL 56 Cb -0.20 -2.21 0.11 0.00 0.00 0.00 0.00 36.38 34.08 2qbk s VAL 56 CO -0.15 -0.11 0.90 -1.61 0.00 0.00 0.00 175.10 174.13 2qbk s GLU 57 N -4.66 0.73 0.00 2.72 0.41 0.16 -4.87 118.70 113.18 2qbk s GLU 57 Ca 0.66 0.18 0.00 0.00 -0.41 0.00 0.00 54.97 55.40 2qbk s GLU 57 Cb -0.22 0.35 0.00 0.00 -1.78 0.00 0.00 34.13 32.48 2qbk s GLU 57 CO 0.59 -0.23 0.42 0.39 -0.49 0.00 0.00 175.26 175.94