#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n ARG 2 N 0.00 1.03 -2.26 0.00 0.63 -1.26 -4.90 116.66 109.91 2qbk n ARG 2 Ca 0.00 0.14 -0.38 0.00 -0.92 0.00 0.00 57.85 56.69 2qbk n ARG 2 Cb 0.00 -2.91 -0.01 0.00 0.45 0.00 0.00 32.46 29.99 2qbk n ARG 2 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2qbk s VAL 3 N 10.11 3.10 0.10 5.15 1.01 -1.26 -4.97 120.40 133.64 2qbk s VAL 3 Ca 1.07 0.89 -0.22 0.00 0.00 0.00 0.00 61.98 63.71 2qbk s VAL 3 Cb -0.51 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 2qbk s VAL 3 CO 0.36 0.05 1.38 0.11 0.00 0.00 0.00 175.10 177.00 2qbk h LYS 4 N 2.42 -0.14 -6.23 2.72 1.57 -2.08 -3.45 116.57 111.37 2qbk h LYS 4 Ca -0.49 0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 57.84 2qbk h LYS 4 Cb 1.24 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2qbk h LYS 4 CO 0.62 -0.09 -0.77 -2.13 -0.57 0.00 0.00 179.45 176.50 2qbk n ARG 5 N -4.57 -5.47 0.00 3.15 0.63 -1.26 -4.92 116.66 104.21 2qbk n ARG 5 Ca -0.01 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 2qbk n ARG 5 Cb 0.21 -5.42 0.00 0.00 0.45 0.00 0.00 32.46 27.70 2qbk n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbk n GLY 6 N -1.68 1.01 0.31 5.14 0.00 -1.26 -4.76 105.19 103.95 2qbk n GLY 6 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 2qbk n GLY 6 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qbk h VAL 7 N 0.00 0.20 -0.95 1.61 -1.51 -1.96 0.32 116.25 113.97 2qbk h VAL 7 Ca 0.00 -0.03 0.29 0.00 -1.23 0.00 0.00 66.70 65.73 2qbk h VAL 7 Cb 0.00 0.10 -0.15 0.00 -2.13 0.00 0.00 31.29 29.11 2qbk h VAL 7 CO 0.00 0.02 0.38 -0.29 -1.23 0.00 0.00 177.57 176.45 2qbk h ILE 8 N 0.10 0.25 0.00 7.19 6.09 -1.98 0.83 117.51 129.99 2qbk h ILE 8 Ca 0.53 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.95 2qbk h ILE 8 Cb 1.06 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.36 2qbk h ILE 8 CO -0.76 0.04 0.00 0.00 -3.07 0.00 0.00 178.15 174.36 2qbk n ALA 9 N -2.53 -0.27 0.25 0.18 0.00 0.11 -3.11 120.51 115.13 2qbk n ALA 9 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2qbk n ALA 9 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2qbk n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbk n ARG 10 N -1.99 0.18 -0.09 0.00 1.85 -1.02 -1.86 116.66 113.74 2qbk n ARG 10 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 2qbk n ARG 10 Cb 0.00 -1.06 -0.04 0.00 -1.05 0.00 0.00 32.46 30.31 2qbk n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbk n ALA 11 N 0.09 0.81 0.26 2.89 0.00 0.26 -3.31 120.51 121.50 2qbk n ALA 11 Ca 0.00 -0.73 0.14 0.00 0.00 0.00 0.00 53.44 52.84 2qbk n ALA 11 Cb 0.03 -0.01 0.65 0.00 0.00 0.00 0.00 19.45 20.13 2qbk n ALA 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2qbk h ARG 12 N -1.00 0.00 0.21 0.00 0.11 -1.33 -1.94 114.38 110.43 2qbk h ARG 12 Ca -0.15 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.92 2qbk h ARG 12 Cb 1.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.08 2qbk h ARG 12 CO -0.09 0.12 -0.10 0.45 0.10 0.00 0.00 179.97 180.45 2qbk h HIS 13 N 0.00 -0.26 -0.92 4.08 3.86 -1.55 -2.19 115.15 118.17 2qbk h HIS 13 Ca -0.00 -0.01 0.26 0.00 -1.16 0.00 0.00 60.37 59.46 2qbk h HIS 13 Cb 0.51 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 2qbk h HIS 13 CO 0.00 -0.16 0.65 -0.22 0.86 0.00 0.00 177.93 179.06 2qbk h LYS 14 N -0.33 0.08 0.00 2.45 3.64 -1.52 0.41 116.57 121.29 2qbk h LYS 14 Ca -0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2qbk h LYS 14 Cb 0.22 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2qbk h LYS 14 CO 0.05 0.05 0.00 1.17 -2.27 0.00 0.00 179.45 178.45 2qbk n LYS 15 N -4.32 0.00 -0.33 1.90 0.00 -0.74 -2.46 118.16 112.22 2qbk n LYS 15 Ca 0.19 0.18 0.21 0.00 0.00 0.00 0.00 58.31 58.89 2qbk n LYS 15 Cb 0.94 -1.12 0.43 0.00 0.00 0.00 0.00 35.03 35.28 2qbk n LYS 15 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2qbk h ILE 16 N 0.00 0.29 0.00 3.15 5.03 -0.89 -0.17 117.51 124.92 2qbk h ILE 16 Ca 0.00 -0.10 -0.12 0.00 -0.12 0.00 0.00 64.86 64.52 2qbk h ILE 16 Cb 0.00 -0.02 -0.04 0.00 -3.03 0.00 0.00 36.82 33.72 2qbk h ILE 16 CO 0.00 0.05 -0.06 -0.11 -0.68 0.00 0.00 178.15 177.36 2qbk n LEU 17 N -5.10 3.38 0.00 1.44 7.94 0.14 -1.60 117.00 123.20 2qbk n LEU 17 Ca 0.29 -2.23 0.00 0.00 -1.11 0.00 0.00 56.01 52.96 2qbk n LEU 17 Cb 0.92 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2qbk n LEU 17 CO 0.08 0.91 0.00 1.17 -1.11 0.00 0.00 177.39 178.45 2qbk n LYS 18 N 2.69 0.00 0.00 1.96 4.81 -0.08 -4.80 118.16 122.73 2qbk n LYS 18 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 2qbk n LYS 18 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 2qbk n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2qbk n GLN 19 N -1.33 0.55 0.00 1.64 6.02 -0.63 -1.41 117.38 122.22 2qbk n GLN 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qbk n GLN 19 Cb 0.00 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.18 2qbk n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qbk n ALA 20 N -0.29 1.86 -1.23 -1.58 0.00 -1.23 -4.71 120.51 113.33 2qbk n ALA 20 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.89 2qbk n ALA 20 Cb 0.04 0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 2qbk n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbk n LYS 21 N -1.64 0.00 0.00 0.00 4.76 -0.50 -1.50 118.16 119.27 2qbk n LYS 21 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2qbk n LYS 21 Cb 0.26 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2qbk n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbk n GLY 22 N 5.81 1.49 3.79 0.72 0.00 -1.26 -5.08 105.19 110.66 2qbk n GLY 22 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 2qbk n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qbk s TYR 23 N -0.86 3.82 0.86 1.61 4.12 -0.56 -5.06 117.35 121.28 2qbk s TYR 23 Ca 0.00 1.54 -0.12 0.00 0.02 0.00 0.00 57.07 58.51 2qbk s TYR 23 Cb 0.00 -2.71 0.11 0.00 -1.52 0.00 0.00 41.96 37.84 2qbk s TYR 23 CO 0.00 0.46 1.10 -0.47 0.02 0.00 0.00 175.55 176.66 2qbk s TYR 24 N -1.27 2.53 0.04 2.71 5.04 -1.26 -3.73 117.35 121.41 2qbk s TYR 24 Ca 0.38 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 2qbk s TYR 24 Cb -0.21 -3.17 0.00 0.00 0.35 0.00 0.00 41.96 38.93 2qbk s TYR 24 CO 0.24 -2.16 0.00 0.41 -1.34 0.00 0.00 175.55 172.70 2qbk n GLY 25 N -1.60 -1.20 0.00 8.97 0.00 -1.26 -3.00 105.19 107.09 2qbk n GLY 25 Ca 0.07 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2qbk n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk n ALA 26 N -0.29 0.74 0.14 4.61 0.00 -1.26 -2.21 120.51 122.24 2qbk n ALA 26 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2qbk n ALA 26 Cb 0.08 -0.70 0.76 0.00 0.00 0.00 0.00 19.45 19.58 2qbk n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.79 0.40 114.38 116.07 2qbk h ARG 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qbk h ARG 27 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2qbk h ARG 27 CO 0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 2qbk n SER 28 N -3.59 1.08 -0.01 7.04 7.64 -0.94 -3.95 113.62 120.89 2qbk n SER 28 Ca 0.05 -1.47 -0.01 0.00 1.01 0.00 0.00 58.87 58.46 2qbk n SER 28 Cb 0.57 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.76 2qbk n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qbk n ARG 29 N -0.23 1.05 -0.01 1.43 1.74 -0.46 -4.83 116.66 115.35 2qbk n ARG 29 Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2qbk n ARG 29 Cb 0.29 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2qbk n ARG 29 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2qbk n VAL 30 N -2.42 0.00 0.00 1.55 3.14 0.13 -5.03 118.33 115.70 2qbk n VAL 30 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 2qbk n VAL 30 Cb 0.54 -1.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 2qbk n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbk n TYR 31 N -0.01 0.00 -0.31 1.45 9.36 -1.26 -4.46 117.16 121.92 2qbk n TYR 31 Ca 0.00 0.00 0.27 0.00 3.32 0.00 0.00 57.90 61.49 2qbk n TYR 31 Cb 0.00 0.09 0.61 0.00 -0.63 0.00 0.00 39.34 39.41 2qbk n TYR 31 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qbk h ARG 32 N 0.00 0.22 0.03 2.98 3.08 -1.99 0.20 114.38 118.90 2qbk h ARG 32 Ca 0.00 -0.01 -0.38 0.00 0.07 0.00 0.00 59.98 59.65 2qbk h ARG 32 Cb 0.34 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 2qbk h ARG 32 CO 0.00 0.15 -2.37 1.33 -1.07 0.00 0.00 179.97 178.01 2qbk n VAL 33 N -4.45 1.55 -0.16 2.04 0.24 -1.26 -3.53 118.33 112.76 2qbk n VAL 33 Ca 0.25 -0.60 0.26 0.00 -2.04 0.00 0.00 64.34 62.21 2qbk n VAL 33 Cb 1.01 -1.44 0.70 0.00 -1.47 0.00 0.00 33.84 32.63 2qbk n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbk h ALA 34 N 0.07 2.73 0.05 2.33 0.00 -1.45 0.71 119.26 123.70 2qbk h ALA 34 Ca -0.54 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2qbk h ALA 34 Cb 1.94 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2qbk h ALA 34 CO -0.05 -0.97 -0.02 0.35 0.00 0.00 0.00 179.25 178.56 2qbk h PHE 35 N 0.04 -0.06 0.00 0.00 3.04 -0.81 -2.32 116.94 116.84 2qbk h PHE 35 Ca 0.41 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.35 2qbk h PHE 35 Cb 1.55 0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.08 2qbk h PHE 35 CO -0.00 0.57 0.00 1.04 -2.02 0.00 0.00 178.31 177.90 2qbk n GLN 36 N -4.78 0.34 0.00 1.11 6.02 0.12 -2.35 117.38 117.84 2qbk n GLN 36 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2qbk n GLN 36 Cb 0.32 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.49 2qbk n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qbk n ALA 37 N -0.59 0.17 -0.19 -1.58 0.00 0.21 -4.24 120.51 114.28 2qbk n ALA 37 Ca 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 2qbk n ALA 37 Cb 0.01 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2qbk n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbk h VAL 38 N 0.00 0.22 -0.99 0.00 2.07 -1.33 0.14 116.25 116.35 2qbk h VAL 38 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 2qbk h VAL 38 Cb 0.00 0.22 -0.14 0.00 -1.52 0.00 0.00 31.29 29.85 2qbk h VAL 38 CO 0.00 0.00 -0.48 -0.38 0.02 0.00 0.00 177.57 176.73 2qbk n ILE 39 N -5.43 -0.59 0.12 4.57 2.08 -0.99 -0.12 119.36 118.99 2qbk n ILE 39 Ca 0.04 2.36 -0.15 0.00 0.56 0.00 0.00 62.75 65.55 2qbk n ILE 39 Cb 0.35 -3.02 -0.09 0.00 -0.75 0.00 0.00 39.64 36.13 2qbk n ILE 39 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2qbk h LYS 40 N 0.00 -0.69 -0.62 0.38 1.79 -1.17 -2.03 116.57 114.23 2qbk h LYS 40 Ca 0.26 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.90 2qbk h LYS 40 Cb 0.51 0.16 -0.11 0.00 -1.58 0.00 0.00 32.23 31.21 2qbk h LYS 40 CO -0.96 -0.46 -0.06 0.00 -1.08 0.00 0.00 179.45 176.89 2qbk h ALA 41 N -0.37 0.54 -0.85 3.86 0.00 -0.27 0.68 119.26 122.85 2qbk h ALA 41 Ca 0.01 0.21 0.24 0.00 0.00 0.00 0.00 54.91 55.36 2qbk h ALA 41 Cb 0.73 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2qbk h ALA 41 CO -0.26 -0.41 0.60 0.78 0.00 0.00 0.00 179.25 179.96 2qbk h GLY 42 N 0.07 0.13 0.00 0.00 0.00 0.17 0.17 103.07 103.61 2qbk h GLY 42 Ca 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 2qbk h GLY 42 CO -0.57 -0.00 -0.06 1.46 0.00 0.00 0.00 176.54 177.36 2qbk h GLN 43 N 0.06 0.00 -0.10 4.80 4.20 0.77 -3.11 115.11 121.73 2qbk h GLN 43 Ca 0.41 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.14 2qbk h GLN 43 Cb 1.53 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.26 2qbk h GLN 43 CO -0.03 0.46 -0.50 1.88 -0.67 0.00 0.00 178.83 179.97 2qbk h TYR 44 N -1.00 -1.50 -0.30 2.96 0.99 0.12 0.11 116.97 118.34 2qbk h TYR 44 Ca -0.01 0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.81 2qbk h TYR 44 Cb 0.49 0.67 -0.06 0.00 1.00 0.00 0.00 36.73 38.83 2qbk h TYR 44 CO 0.12 -0.51 -0.42 0.00 -0.00 0.00 0.00 178.16 177.34 2qbk h ALA 45 N -0.41 -0.67 -0.99 3.88 0.00 -0.87 1.01 119.26 121.21 2qbk h ALA 45 Ca 0.03 -0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.25 2qbk h ALA 45 Cb 0.64 1.02 -0.15 0.00 0.00 0.00 0.00 17.79 19.31 2qbk h ALA 45 CO -0.39 -0.87 0.54 -0.92 0.00 0.00 0.00 179.25 177.61 2qbk h TYR 46 N -0.30 0.88 0.38 0.00 3.20 -1.39 1.46 116.97 121.19 2qbk h TYR 46 Ca 0.05 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2qbk h TYR 46 Cb 0.45 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2qbk h TYR 46 CO -0.69 -0.18 -0.18 -0.09 -1.64 0.00 0.00 178.16 175.38 2qbk h ARG 47 N 0.32 -0.49 0.00 1.82 2.43 0.23 -3.19 114.38 115.50 2qbk h ARG 47 Ca 0.72 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.91 2qbk h ARG 47 Cb 1.61 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 31.27 2qbk h ARG 47 CO -0.61 -0.18 -0.05 -0.44 -1.51 0.00 0.00 179.97 177.17 2qbk h ASP 48 N -0.98 0.00 -0.79 -3.80 3.45 0.26 -2.26 116.42 112.30 2qbk h ASP 48 Ca -0.05 0.00 0.15 0.00 0.43 0.00 0.00 57.03 57.56 2qbk h ASP 48 Cb 0.53 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.20 2qbk h ASP 48 CO 0.08 0.05 0.33 -0.09 -1.57 0.00 0.00 179.24 178.05 2qbk h ARG 49 N 0.00 0.45 0.00 3.56 9.65 0.19 0.41 114.38 128.64 2qbk h ARG 49 Ca -0.00 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 2qbk h ARG 49 Cb 0.20 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 2qbk h ARG 49 CO 0.01 0.30 -0.44 0.00 2.80 0.00 0.00 179.97 182.64 2qbk h ARG 50 N 0.46 0.00 -0.07 0.20 -0.00 -1.52 -3.26 114.38 110.19 2qbk h ARG 50 Ca 0.44 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.79 2qbk h ARG 50 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.65 2qbk h ARG 50 CO -0.42 0.33 -0.56 1.96 0.00 0.00 0.00 179.97 181.28 2qbk h GLN 51 N 0.00 0.21 -0.30 0.04 4.20 -0.22 -3.15 115.11 115.89 2qbk h GLN 51 Ca -0.01 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.60 2qbk h GLN 51 Cb 1.28 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.04 2qbk h GLN 51 CO 0.04 0.71 0.09 -0.09 -0.67 0.00 0.00 178.83 178.92 2qbk h ARG 52 N 0.16 0.21 0.00 1.46 2.43 -0.65 0.36 114.38 118.34 2qbk h ARG 52 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2qbk h ARG 52 Cb 1.04 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2qbk h ARG 52 CO 0.09 0.14 0.00 1.63 -1.51 0.00 0.00 179.97 180.31 2qbk n LYS 53 N -5.04 0.17 0.02 0.20 5.02 -1.19 -2.64 118.16 114.69 2qbk n LYS 53 Ca -0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 2qbk n LYS 53 Cb 0.11 -1.21 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 2qbk n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbk n ARG 54 N -0.71 0.11 0.25 1.97 1.74 0.94 -4.37 116.66 116.58 2qbk n ARG 54 Ca 0.02 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 2qbk n ARG 54 Cb 0.01 -0.68 0.52 0.00 -1.02 0.00 0.00 32.46 31.28 2qbk n ARG 54 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qbk h GLN 55 N -0.20 0.00 0.01 5.56 4.20 -0.44 0.35 115.11 124.59 2qbk h GLN 55 Ca -0.01 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.35 2qbk h GLN 55 Cb 0.27 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 2qbk h GLN 55 CO -0.01 0.00 -2.16 1.19 -0.67 0.00 0.00 178.83 177.19 2qbk n PHE 56 N -2.91 0.42 0.05 2.96 0.99 -1.13 -3.31 117.46 114.53 2qbk n PHE 56 Ca 0.02 0.14 -0.13 0.00 -0.00 0.00 0.00 57.45 57.48 2qbk n PHE 56 Cb 0.71 -1.07 -0.09 0.00 -1.00 0.00 0.00 39.48 38.04 2qbk n PHE 56 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2qbk h ARG 57 N 0.01 -0.15 0.00 -1.08 2.43 -0.58 0.90 114.38 115.90 2qbk h ARG 57 Ca -0.46 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2qbk h ARG 57 Cb 2.11 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.70 2qbk h ARG 57 CO 0.04 0.22 0.00 1.04 -1.51 0.00 0.00 179.97 179.75 2qbk n GLN 58 N -4.98 0.00 -0.08 0.20 6.02 -0.35 -1.84 117.38 116.34 2qbk n GLN 58 Ca -0.09 0.33 -0.10 0.00 -0.01 0.00 0.00 57.00 57.13 2qbk n GLN 58 Cb 0.23 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.94 2qbk n GLN 58 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2qbk h LEU 59 N 0.00 0.00 0.22 1.08 7.12 -1.30 -3.21 115.31 119.23 2qbk h LEU 59 Ca 0.00 -0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.84 2qbk h LEU 59 Cb 0.17 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.26 2qbk h LEU 59 CO 0.00 1.00 -0.48 -0.50 -0.13 0.00 0.00 178.44 178.33 2qbk h TRP 60 N -1.00 -1.37 -0.85 1.25 6.55 0.10 -1.60 115.95 119.02 2qbk h TRP 60 Ca -0.12 0.03 0.18 0.00 0.95 0.00 0.00 58.89 59.93 2qbk h TRP 60 Cb 0.77 0.57 -0.16 0.00 -0.86 0.00 0.00 29.16 29.47 2qbk h TRP 60 CO -0.11 -0.57 -0.18 0.82 -1.05 0.00 0.00 178.44 177.35 2qbk h ILE 61 N -0.77 0.15 -0.70 1.49 2.04 -1.58 0.47 117.51 118.61 2qbk h ILE 61 Ca -0.02 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.95 2qbk h ILE 61 Cb 0.73 0.14 -0.12 0.00 -0.74 0.00 0.00 36.82 36.83 2qbk h ILE 61 CO -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.58 2qbk h ALA 62 N 1.85 -0.07 -0.05 1.87 0.00 -1.30 0.32 119.26 121.89 2qbk h ALA 62 Ca 0.42 0.18 -0.20 0.00 0.00 0.00 0.00 54.91 55.31 2qbk h ALA 62 Cb 0.67 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2qbk h ALA 62 CO -0.87 -0.70 -0.80 0.07 0.00 0.00 0.00 179.25 176.95 2qbk h ARG 63 N -0.13 0.39 0.24 0.00 0.11 -0.59 -2.49 114.38 111.91 2qbk h ARG 63 Ca 0.25 -0.35 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2qbk h ARG 63 Cb 0.56 0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.69 2qbk h ARG 63 CO -0.77 1.01 -0.46 0.82 0.10 0.00 0.00 179.97 180.67 2qbk h ILE 64 N 0.25 0.00 -0.77 0.08 1.08 0.22 1.09 117.51 119.46 2qbk h ILE 64 Ca -0.05 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.50 2qbk h ILE 64 Cb 1.40 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.09 2qbk h ILE 64 CO 0.14 0.00 0.44 -1.13 -0.69 0.00 0.00 178.15 176.91 2qbk h ASN 65 N -0.75 0.66 -0.51 1.72 -1.24 -0.57 -0.77 115.58 114.12 2qbk h ASN 65 Ca -0.03 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.06 2qbk h ASN 65 Cb 0.71 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.61 2qbk h ASN 65 CO -0.18 0.41 0.26 0.00 -1.29 0.00 0.00 177.43 176.63 2qbk h ALA 66 N 1.40 0.65 0.78 1.57 0.00 -0.82 0.60 119.26 123.45 2qbk h ALA 66 Ca 0.35 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2qbk h ALA 66 Cb 0.24 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qbk h ALA 66 CO -0.20 -0.09 -0.37 0.00 0.00 0.00 0.00 179.25 178.58 2qbk h ALA 67 N 1.28 -1.24 -0.68 0.00 0.00 0.22 -1.08 119.26 117.76 2qbk h ALA 67 Ca 0.23 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2qbk h ALA 67 Cb 0.14 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2qbk h ALA 67 CO -0.16 -1.16 0.48 0.00 0.00 0.00 0.00 179.25 178.40 2qbk h ALA 68 N -1.48 2.48 -0.15 0.00 0.00 -1.06 0.82 119.26 119.88 2qbk h ALA 68 Ca -0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2qbk h ALA 68 Cb 0.80 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2qbk h ALA 68 CO 0.18 -0.68 -0.14 -0.09 0.00 0.00 0.00 179.25 178.52 2qbk h ARG 69 N 0.11 0.23 0.00 0.00 9.65 0.76 -1.06 114.38 124.07 2qbk h ARG 69 Ca 0.33 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.15 2qbk h ARG 69 Cb 1.14 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.69 2qbk h ARG 69 CO -0.04 0.38 -0.00 0.37 2.80 0.00 0.00 179.97 183.48 2qbk h GLN 70 N 0.22 0.00 0.00 0.20 5.75 0.20 -3.42 115.11 118.06 2qbk h GLN 70 Ca 0.05 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2qbk h GLN 70 Cb 0.38 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.93 2qbk h GLN 70 CO 0.02 0.00 0.00 0.09 -2.65 0.00 0.00 178.83 176.29 2qbk n ASN 71 N -4.49 0.00 -0.34 -0.69 4.13 -0.41 -5.02 115.26 108.44 2qbk n ASN 71 Ca -0.03 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.30 2qbk n ASN 71 Cb 0.09 0.00 0.15 0.00 -1.54 0.00 0.00 39.78 38.48 2qbk n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qbk n GLY 72 N 5.00 4.04 3.24 7.41 0.00 -1.24 -5.02 105.19 118.61 2qbk n GLY 72 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2qbk n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbk s ILE 73 N -2.27 1.36 0.13 -0.61 1.10 -1.19 -5.08 121.20 114.64 2qbk s ILE 73 Ca 0.27 -1.61 0.05 0.00 -0.51 0.00 0.00 60.65 58.85 2qbk s ILE 73 Cb 0.22 -1.45 -0.04 0.00 0.15 0.00 0.00 42.46 41.35 2qbk s ILE 73 CO 0.05 -0.32 0.07 -0.94 -2.11 0.00 0.00 174.94 171.69 2qbk s SER 74 N -2.23 5.27 0.14 4.50 1.04 -1.26 -2.89 113.70 118.27 2qbk s SER 74 Ca 0.06 -0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.06 2qbk s SER 74 Cb -0.07 -1.31 -0.06 0.00 0.10 0.00 0.00 66.02 64.68 2qbk s SER 74 CO 0.03 0.12 1.39 0.00 0.98 0.00 0.00 173.24 175.76 2qbk n TYR 75 N 0.05 -0.37 0.00 5.02 9.36 -1.26 0.69 117.16 130.64 2qbk n TYR 75 Ca -0.09 1.06 0.00 0.00 3.32 0.00 0.00 57.90 62.19 2qbk n TYR 75 Cb 0.54 -0.57 0.00 0.00 -0.63 0.00 0.00 39.34 38.68 2qbk n TYR 75 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2qbk n SER 76 N -4.97 0.00 0.20 2.98 7.64 -1.26 -0.77 113.62 117.43 2qbk n SER 76 Ca 0.02 0.38 0.05 0.00 1.01 0.00 0.00 58.87 60.32 2qbk n SER 76 Cb 0.22 -0.00 0.50 0.00 -1.01 0.00 0.00 64.21 63.92 2qbk n SER 76 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2qbk h LYS 77 N 0.00 0.08 0.00 1.43 1.57 -1.92 -1.70 116.57 116.03 2qbk h LYS 77 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qbk h LYS 77 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2qbk h LYS 77 CO 0.00 0.20 0.00 0.34 -0.57 0.00 0.00 179.45 179.42 2qbk n PHE 78 N -4.36 0.00 -0.04 -1.35 -0.00 0.22 0.16 117.46 112.09 2qbk n PHE 78 Ca -0.02 0.00 0.21 0.00 -0.00 0.00 0.00 57.45 57.64 2qbk n PHE 78 Cb 0.21 -0.32 0.68 0.00 -0.00 0.00 0.00 39.48 40.06 2qbk n PHE 78 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 2qbk h ILE 79 N 0.00 0.71 -0.19 -2.13 -0.00 -0.97 0.40 117.51 115.33 2qbk h ILE 79 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 64.86 64.85 2qbk h ILE 79 Cb 0.00 0.68 -0.01 0.00 -0.00 0.00 0.00 36.82 37.49 2qbk h ILE 79 CO 0.00 0.01 0.12 -1.13 -0.00 0.00 0.00 178.15 177.14 2qbk h ASN 80 N 0.03 0.22 0.13 2.19 -0.00 -0.31 0.58 115.58 118.43 2qbk h ASN 80 Ca 0.29 -0.03 -0.01 0.00 -0.00 0.00 0.00 56.30 56.55 2qbk h ASN 80 Cb 1.11 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 39.37 2qbk h ASN 80 CO -0.01 0.18 -0.06 1.23 -0.00 0.00 0.00 177.43 178.77 2qbk h GLY 81 N 0.24 -0.19 -0.41 1.57 0.00 0.55 0.36 103.07 105.19 2qbk h GLY 81 Ca 0.07 0.07 0.25 0.00 0.00 0.00 0.00 47.33 47.72 2qbk h GLY 81 CO -0.01 -0.07 0.34 1.41 0.00 0.00 0.00 176.54 178.20 2qbk h LEU 82 N -0.44 0.17 0.60 3.11 3.38 -0.40 0.81 115.31 122.55 2qbk h LEU 82 Ca -0.02 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2qbk h LEU 82 Cb 0.35 0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2qbk h LEU 82 CO 0.03 -0.12 -0.29 0.50 0.09 0.00 0.00 178.44 178.65 2qbk h LYS 83 N 0.27 -0.78 -0.38 1.13 1.63 0.78 -3.23 116.57 115.99 2qbk h LYS 83 Ca 0.59 0.05 0.04 0.00 -0.85 0.00 0.00 60.65 60.48 2qbk h LYS 83 Cb 1.21 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 32.97 2qbk h LYS 83 CO -0.62 -0.52 -0.30 0.87 -3.45 0.00 0.00 179.45 175.44 2qbk h LYS 84 N -0.87 -0.08 -5.63 1.90 1.57 0.24 -3.12 116.57 110.57 2qbk h LYS 84 Ca -0.08 0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 58.12 2qbk h LYS 84 Cb 0.62 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 2qbk h LYS 84 CO 0.14 -0.06 1.55 0.00 -0.57 0.00 0.00 179.45 180.51 2qbk n ALA 85 N -3.03 0.71 -0.02 3.86 0.00 0.26 -4.17 120.51 118.12 2qbk n ALA 85 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2qbk n ALA 85 Cb 0.15 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.03 2qbk n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qbk n SER 86 N 11.14 0.00 0.00 0.00 7.64 -1.26 -4.08 113.62 127.06 2qbk n SER 86 Ca 0.49 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2qbk n SER 86 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2qbk n SER 86 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2qbk n VAL 87 N 0.03 0.00 -2.40 0.44 0.31 -1.18 -4.88 118.33 110.66 2qbk n VAL 87 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2qbk n VAL 87 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2qbk n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbk n GLU 88 N 0.00 -4.14 0.00 5.55 0.00 -1.26 -4.19 120.64 116.60 2qbk n GLU 88 Ca 0.00 3.16 0.00 0.00 0.00 0.00 0.00 57.16 60.32 2qbk n GLU 88 Cb 0.00 -4.50 0.00 0.00 0.00 0.00 0.00 31.44 26.94 2qbk n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2qbk n ILE 89 N 1.51 0.00 -0.54 6.31 2.08 -1.26 -4.76 119.36 122.71 2qbk n ILE 89 Ca -0.31 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.18 2qbk n ILE 89 Cb 0.48 -0.37 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 2qbk n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2qbk n ASP 90 N -0.41 0.00 -0.43 4.38 9.92 -1.26 -4.81 116.55 123.94 2qbk n ASP 90 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 2qbk n ASP 90 Cb 0.00 -1.67 -0.01 0.00 -0.64 0.00 0.00 41.12 38.80 2qbk n ASP 90 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2qbk n ARG 91 N -2.00 -0.48 -0.00 -1.24 0.63 -1.26 -1.47 116.66 110.84 2qbk n ARG 91 Ca 0.00 0.31 0.08 0.00 -0.92 0.00 0.00 57.85 57.32 2qbk n ARG 91 Cb 0.00 -0.58 -0.10 0.00 0.45 0.00 0.00 32.46 32.23 2qbk n ARG 91 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2qbk n LYS 92 N -1.22 1.41 -0.11 -0.14 5.02 -1.26 -3.62 118.16 118.23 2qbk n LYS 92 Ca 0.00 -0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.01 2qbk n LYS 92 Cb 0.11 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 2qbk n LYS 92 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2qbk n ILE 93 N -1.55 1.55 0.30 -0.18 3.06 -1.26 -3.98 119.36 117.30 2qbk n ILE 93 Ca 0.02 -0.39 0.09 0.00 -2.50 0.00 0.00 62.75 59.97 2qbk n ILE 93 Cb 0.29 -1.78 0.42 0.00 0.54 0.00 0.00 39.64 39.11 2qbk n ILE 93 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2qbk n LEU 94 N -3.96 0.43 -0.29 9.51 7.99 -1.20 -0.64 117.00 128.85 2qbk n LEU 94 Ca -0.45 0.64 0.01 0.00 -0.01 0.00 0.00 56.01 56.19 2qbk n LEU 94 Cb 0.89 -0.62 0.02 0.00 -0.11 0.00 0.00 43.42 43.60 2qbk n LEU 94 CO 0.16 -0.60 0.43 0.00 -1.51 0.00 0.00 177.39 175.87 2qbk n ALA 95 N -1.69 2.53 1.27 -1.18 0.00 -0.54 -3.08 120.51 117.83 2qbk n ALA 95 Ca 0.01 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.50 2qbk n ALA 95 Cb 0.14 -1.00 0.70 0.00 0.00 0.00 0.00 19.45 19.29 2qbk n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qbk n ASP 96 N -0.20 0.00 0.00 0.00 5.68 0.19 -3.12 116.55 119.10 2qbk n ASP 96 Ca 0.02 0.03 0.01 0.00 -0.50 0.00 0.00 54.79 54.34 2qbk n ASP 96 Cb 0.15 -0.34 0.05 0.00 -1.14 0.00 0.00 41.12 39.84 2qbk n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2qbk n ILE 97 N -1.34 0.00 0.62 2.12 -5.35 -1.18 0.13 119.36 114.36 2qbk n ILE 97 Ca 0.12 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.71 2qbk n ILE 97 Cb 0.26 -0.89 0.26 0.00 -1.74 0.00 0.00 39.64 37.53 2qbk n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qbk n ALA 98 N -0.92 2.45 -0.06 -1.28 0.00 -1.18 -3.75 120.51 115.76 2qbk n ALA 98 Ca 0.01 -0.84 -0.11 0.00 0.00 0.00 0.00 53.44 52.51 2qbk n ALA 98 Cb 0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 2qbk n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbk n VAL 99 N 1.13 1.28 -4.08 0.00 0.31 0.34 -4.76 118.33 112.55 2qbk n VAL 99 Ca 0.18 0.06 -0.26 0.00 -0.01 0.00 0.00 64.34 64.31 2qbk n VAL 99 Cb 0.52 -1.98 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 2qbk n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2qbk s PHE 100 N -2.52 3.16 -1.43 3.52 2.99 -1.19 -4.36 117.98 118.14 2qbk s PHE 100 Ca -0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 56.93 56.63 2qbk s PHE 100 Cb 0.05 -1.51 0.04 0.00 0.00 0.00 0.00 43.02 41.61 2qbk s PHE 100 CO 0.30 0.52 0.75 -3.47 -0.00 0.00 0.00 175.22 173.32 2qbk n ASP 101 N -0.41 -2.40 -0.10 1.36 4.64 -1.26 -4.45 116.55 113.92 2qbk n ASP 101 Ca -0.08 -0.85 0.27 0.00 -1.38 0.00 0.00 54.79 52.74 2qbk n ASP 101 Cb 0.55 -3.73 0.69 0.00 -1.04 0.00 0.00 41.12 37.59 2qbk n ASP 101 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 2qbk h LYS 102 N -1.92 0.00 -0.27 -0.67 3.64 -1.76 0.97 116.57 116.57 2qbk h LYS 102 Ca -0.60 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.81 2qbk h LYS 102 Cb 1.37 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.16 2qbk h LYS 102 CO 0.63 0.00 0.08 0.28 -2.27 0.00 0.00 179.45 178.16 2qbk h VAL 103 N 0.00 0.90 -2.70 2.00 2.07 -1.85 -3.35 116.25 113.32 2qbk h VAL 103 Ca 0.37 -0.07 -0.36 0.00 0.82 0.00 0.00 66.70 67.47 2qbk h VAL 103 Cb 1.80 0.69 0.20 0.00 -1.52 0.00 0.00 31.29 32.46 2qbk h VAL 103 CO -0.00 0.03 -0.26 0.00 0.02 0.00 0.00 177.57 177.37 2qbk n ALA 104 N -2.31 -3.70 0.00 1.67 0.00 0.34 -2.70 120.51 113.80 2qbk n ALA 104 Ca -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.88 2qbk n ALA 104 Cb 0.11 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2qbk n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qbk n PHE 105 N -5.24 0.00 -0.28 0.00 -0.00 -1.26 -4.24 117.46 106.43 2qbk n PHE 105 Ca 0.08 0.00 0.27 0.00 -0.00 0.00 0.00 57.45 57.80 2qbk n PHE 105 Cb 0.54 0.00 0.62 0.00 -0.00 0.00 0.00 39.48 40.64 2qbk n PHE 105 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2qbk h THR 106 N 0.00 0.51 0.04 -2.13 2.02 -1.64 0.81 112.91 112.51 2qbk h THR 106 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2qbk h THR 106 Cb 0.00 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2qbk h THR 106 CO 0.00 0.04 -0.02 0.00 0.37 0.00 0.00 175.52 175.91 2qbk h ALA 107 N 1.55 -0.05 -0.82 6.16 0.00 -1.73 -3.01 119.26 121.35 2qbk h ALA 107 Ca 0.54 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.39 2qbk h ALA 107 Cb 1.72 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 19.40 2qbk h ALA 107 CO -0.14 -0.26 0.09 -0.07 0.00 0.00 0.00 179.25 178.88 2qbk h LEU 108 N -0.60 -0.22 -0.84 0.00 3.38 0.07 0.47 115.31 117.56 2qbk h LEU 108 Ca -0.01 0.20 0.16 0.00 0.09 0.00 0.00 57.88 58.32 2qbk h LEU 108 Cb 0.54 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 41.46 2qbk h LEU 108 CO 0.01 -0.18 -0.27 0.58 0.09 0.00 0.00 178.44 178.67 2qbk h VAL 109 N 0.14 0.11 -0.16 1.22 2.07 -0.25 0.33 116.25 119.70 2qbk h VAL 109 Ca 0.48 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.03 2qbk h VAL 109 Cb 0.90 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2qbk h VAL 109 CO -0.68 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 176.54 2qbk h GLU 110 N -0.03 -0.00 -0.68 1.57 3.07 -0.06 -1.34 114.58 117.10 2qbk h GLU 110 Ca 0.37 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.30 2qbk h GLU 110 Cb 0.61 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.42 2qbk h GLU 110 CO -0.87 -0.00 -0.55 -0.22 -1.40 0.00 0.00 179.01 175.96 2qbk h LYS 111 N -0.00 -0.20 0.36 2.33 1.63 0.07 0.49 116.57 121.23 2qbk h LYS 111 Ca 0.08 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 2qbk h LYS 111 Cb 0.12 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2qbk h LYS 111 CO -0.17 -0.13 -0.37 0.00 -3.45 0.00 0.00 179.45 175.32 2qbk h ALA 112 N 0.29 -0.80 -0.96 5.00 0.00 -1.17 -1.32 119.26 120.29 2qbk h ALA 112 Ca 0.13 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 55.22 2qbk h ALA 112 Cb 0.52 0.54 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 2qbk h ALA 112 CO -0.76 -0.99 0.43 0.87 0.00 0.00 0.00 179.25 178.80 2qbk h LYS 113 N -0.76 0.22 0.77 0.00 1.57 -0.03 0.63 116.57 118.98 2qbk h LYS 113 Ca -0.02 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2qbk h LYS 113 Cb 0.69 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.95 2qbk h LYS 113 CO -0.07 0.15 -0.37 0.00 -0.57 0.00 0.00 179.45 178.59 2qbk h ALA 114 N 1.86 -1.05 -0.41 3.86 0.00 0.69 -1.81 119.26 122.40 2qbk h ALA 114 Ca 0.68 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.48 2qbk h ALA 114 Cb 1.54 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 2qbk h ALA 114 CO -0.66 -0.97 0.29 0.00 0.00 0.00 0.00 179.25 177.91 2qbk h ALA 115 N -1.30 2.37 0.00 0.00 0.00 -0.09 0.71 119.26 120.95 2qbk h ALA 115 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qbk h ALA 115 Cb 0.79 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qbk h ALA 115 CO 0.17 -0.48 0.00 -0.07 0.00 0.00 0.00 179.25 178.87 2qbk h LEU 116 N 0.01 0.00 -0.80 0.00 3.38 0.39 -3.47 115.31 114.83 2qbk h LEU 116 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2qbk h LEU 116 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2qbk h LEU 116 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53