#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n GLU 2 N 0.00 0.60 -0.95 0.03 -0.58 -1.26 -3.53 120.64 114.95 2qbk n GLU 2 Ca 0.00 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 2qbk n GLU 2 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 2qbk n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2qbk n THR 3 N -4.20 -0.24 -3.89 2.62 5.66 -1.26 -4.20 114.28 108.77 2qbk n THR 3 Ca -0.37 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.40 2qbk n THR 3 Cb 0.79 -0.76 -0.00 0.00 -1.55 0.00 0.00 70.33 68.81 2qbk n THR 3 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 2qbk n ILE 4 N 1.58 0.00 -3.64 1.09 -6.64 -1.26 -4.01 119.36 106.48 2qbk n ILE 4 Ca 0.00 -1.94 -0.08 0.00 -1.77 0.00 0.00 62.75 58.96 2qbk n ILE 4 Cb 0.00 -0.05 -0.07 0.00 -1.44 0.00 0.00 39.64 38.08 2qbk n ILE 4 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2qbk s ALA 5 N -2.70 -2.03 0.26 -1.28 0.00 -0.87 -4.82 121.76 110.32 2qbk s ALA 5 Ca 0.26 1.89 -0.02 0.00 0.00 0.00 0.00 51.96 54.09 2qbk s ALA 5 Cb -0.02 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2qbk s ALA 5 CO 0.17 -0.23 0.28 -1.59 0.00 0.00 0.00 175.76 174.39 2qbk s LYS 6 N 0.31 1.50 -0.16 0.00 0.00 -1.26 -0.19 119.74 119.94 2qbk s LYS 6 Ca 0.02 -1.66 0.01 0.00 0.00 0.00 0.00 55.97 54.34 2qbk s LYS 6 Cb -0.05 0.35 0.02 0.00 0.00 0.00 0.00 37.83 38.15 2qbk s LYS 6 CO -0.08 -0.56 -0.16 -1.58 0.00 0.00 0.00 175.35 172.97 2qbk s HIS 7 N -3.81 2.42 -0.14 1.78 2.46 0.57 -4.96 115.29 113.62 2qbk s HIS 7 Ca 0.35 -1.41 -0.08 0.00 0.47 0.00 0.00 55.06 54.39 2qbk s HIS 7 Cb 0.03 -1.72 -0.04 0.00 -0.13 0.00 0.00 32.58 30.72 2qbk s HIS 7 CO 0.16 -0.73 0.13 1.03 -2.47 0.00 0.00 174.74 172.86 2qbk s ARG 8 N 1.41 3.65 -0.94 2.88 0.52 -1.26 -0.53 118.95 124.67 2qbk s ARG 8 Ca 0.05 -0.16 -0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2qbk s ARG 8 Cb -0.13 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 2qbk s ARG 8 CO -0.11 0.64 0.83 0.72 0.02 0.00 0.00 175.30 177.39 2qbk n HIS 9 N 2.43 -2.48 -2.52 -0.53 8.25 -0.02 -4.96 115.22 115.40 2qbk n HIS 9 Ca -0.19 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 57.74 2qbk n HIS 9 Cb 0.54 -4.05 -0.04 0.00 1.12 0.00 0.00 29.99 27.57 2qbk n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbk s ALA 10 N -3.29 3.35 0.00 -1.41 0.00 0.38 -4.68 121.76 116.11 2qbk s ALA 10 Ca 0.34 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2qbk s ALA 10 Cb -0.04 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2qbk s ALA 10 CO 0.71 -0.28 0.67 0.54 0.00 0.00 0.00 175.76 177.40 2qbk n ARG 11 N 3.10 0.64 0.00 0.00 5.12 -1.26 -1.41 116.66 122.85 2qbk n ARG 11 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2qbk n ARG 11 Cb 0.47 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 2qbk n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qbk n SER 12 N 0.72 0.00 0.00 0.55 2.88 -1.26 -5.02 113.62 111.49 2qbk n SER 12 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2qbk n SER 12 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2qbk n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qbk n SER 13 N 0.00 0.00 0.00 -3.46 3.41 -1.25 -4.60 113.62 107.72 2qbk n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qbk n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbk n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbk n ALA 14 N -2.78 0.00 0.00 7.33 0.00 -1.26 -3.79 120.51 120.01 2qbk n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbk n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbk n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk n GLN 15 N -0.33 0.00 -0.01 0.00 10.64 -1.26 0.10 117.38 126.52 2qbk n GLN 15 Ca 0.00 0.34 -0.08 0.00 -1.83 0.00 0.00 57.00 55.43 2qbk n GLN 15 Cb 0.00 -1.59 -0.14 0.00 -0.86 0.00 0.00 30.24 27.66 2qbk n GLN 15 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2qbk h LYS 16 N 0.00 0.00 0.00 2.61 1.57 -1.99 -3.31 116.57 115.46 2qbk h LYS 16 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 2qbk h LYS 16 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2qbk h LYS 16 CO 0.00 0.57 -0.96 0.28 -0.57 0.00 0.00 179.45 178.78 2qbk h VAL 17 N 0.00 0.72 0.00 0.50 2.07 0.30 -3.32 116.25 116.52 2qbk h VAL 17 Ca -0.24 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.42 2qbk h VAL 17 Cb 1.97 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 2qbk h VAL 17 CO 0.09 0.24 0.00 -2.11 0.02 0.00 0.00 177.57 175.81 2qbk n ARG 18 N -4.50 0.48 -0.03 1.57 1.85 0.29 -0.50 116.66 115.81 2qbk n ARG 18 Ca -0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.61 2qbk n ARG 18 Cb 0.55 -1.25 -0.09 0.00 -1.05 0.00 0.00 32.46 30.61 2qbk n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2qbk n LEU 19 N 0.52 0.00 -0.02 2.89 7.94 -1.24 -4.49 117.00 122.60 2qbk n LEU 19 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 2qbk n LEU 19 Cb 0.18 0.16 -0.05 0.00 0.53 0.00 0.00 43.42 44.24 2qbk n LEU 19 CO 0.00 0.16 -0.64 0.55 -1.11 0.00 0.00 177.39 176.34 2qbk n VAL 20 N -2.20 0.25 -0.29 1.96 3.14 0.34 -4.58 118.33 116.95 2qbk n VAL 20 Ca -0.11 -0.21 -0.03 0.00 -2.96 0.00 0.00 64.34 61.03 2qbk n VAL 20 Cb 0.63 -0.41 0.09 0.00 -1.06 0.00 0.00 33.84 33.09 2qbk n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbk h ALA 21 N 0.38 1.03 -0.52 1.55 0.00 -1.42 -1.39 119.26 118.90 2qbk h ALA 21 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qbk h ALA 21 Cb 0.96 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2qbk h ALA 21 CO 0.01 0.36 0.33 -0.44 0.00 0.00 0.00 179.25 179.50 2qbk h ASP 22 N 1.03 0.60 -0.45 0.00 5.19 -1.82 -1.70 116.42 119.27 2qbk h ASP 22 Ca 0.31 -0.02 0.13 0.00 -0.62 0.00 0.00 57.03 56.83 2qbk h ASP 22 Cb -0.04 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 2qbk h ASP 22 CO -0.09 0.45 0.70 -0.07 -3.12 0.00 0.00 179.24 177.10 2qbk h LEU 23 N 0.70 0.00 0.00 1.55 3.38 -1.49 -3.23 115.31 116.22 2qbk h LEU 23 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2qbk h LEU 23 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2qbk h LEU 23 CO -0.04 0.00 0.00 -0.38 0.09 0.00 0.00 178.44 178.11 2qbk n ILE 24 N -3.26 0.00 -1.75 1.22 5.41 -0.65 -4.95 119.36 115.38 2qbk n ILE 24 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2qbk n ILE 24 Cb 0.87 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 39.14 2qbk n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2qbk n ARG 25 N -0.64 -0.34 0.00 0.38 0.63 -1.19 -2.57 116.66 112.92 2qbk n ARG 25 Ca 0.00 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 2qbk n ARG 25 Cb 0.00 -0.46 0.00 0.00 0.45 0.00 0.00 32.46 32.45 2qbk n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbk n GLY 26 N 1.26 2.98 2.56 5.14 0.00 0.32 -4.92 105.19 112.52 2qbk n GLY 26 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2qbk n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbk n LYS 27 N -1.57 1.22 0.00 1.61 5.02 -1.06 -4.47 118.16 118.92 2qbk n LYS 27 Ca 0.00 -0.88 0.00 0.00 -2.02 0.00 0.00 58.31 55.41 2qbk n LYS 27 Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 2qbk n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2qbk n LYS 28 N 3.80 0.00 0.00 1.97 0.00 -1.26 -2.73 118.16 119.94 2qbk n LYS 28 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.57 2qbk n LYS 28 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.23 2qbk n LYS 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qbk n VAL 29 N 0.00 0.00 0.00 3.15 0.31 -1.21 0.99 118.33 121.57 2qbk n VAL 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qbk n VAL 29 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2qbk n VAL 29 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2qbk n SER 30 N -0.50 0.00 0.28 4.52 7.64 -1.26 -2.48 113.62 121.82 2qbk n SER 30 Ca 0.00 0.49 0.15 0.00 1.01 0.00 0.00 58.87 60.52 2qbk n SER 30 Cb 0.00 -0.05 0.81 0.00 -1.01 0.00 0.00 64.21 63.96 2qbk n SER 30 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2qbk h GLN 31 N 0.00 0.00 0.00 1.43 1.08 -1.93 -0.72 115.11 114.97 2qbk h GLN 31 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qbk h GLN 31 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2qbk h GLN 31 CO 0.00 0.08 0.00 0.00 -0.95 0.00 0.00 178.83 177.96 2qbk n ALA 32 N -2.21 2.04 0.03 3.87 0.00 -1.10 -2.22 120.51 120.91 2qbk n ALA 32 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qbk n ALA 32 Cb 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2qbk n ALA 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbk n LEU 33 N -0.51 0.46 -0.44 0.00 0.00 -0.29 -4.68 117.00 111.54 2qbk n LEU 33 Ca 0.00 0.09 0.38 0.00 0.00 0.00 0.00 56.01 56.49 2qbk n LEU 33 Cb 0.00 -0.12 0.72 0.00 0.00 0.00 0.00 43.42 44.02 2qbk n LEU 33 CO 0.00 -0.40 1.34 0.44 0.00 0.00 0.00 177.39 178.77 2qbk h ASP 34 N 0.00 0.11 0.43 1.96 3.45 -1.31 0.15 116.42 121.20 2qbk h ASP 34 Ca 0.00 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 2qbk h ASP 34 Cb 0.45 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 2qbk h ASP 34 CO 0.00 -0.02 -0.36 0.40 -1.57 0.00 0.00 179.24 177.69 2qbk h ILE 35 N 0.07 0.00 -0.53 0.35 1.08 -1.72 -0.29 117.51 116.47 2qbk h ILE 35 Ca 0.71 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 65.28 2qbk h ILE 35 Cb 2.60 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 36.26 2qbk h ILE 35 CO -0.12 0.00 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.26 2qbk h LEU 36 N -0.77 -0.25 0.00 1.44 -0.00 -1.01 0.76 115.31 115.48 2qbk h LEU 36 Ca -0.06 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2qbk h LEU 36 Cb 0.65 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 2qbk h LEU 36 CO -0.01 -0.09 0.00 0.35 -0.00 0.00 0.00 178.44 178.69 2qbk n THR 37 N -5.26 0.14 -2.65 0.22 -2.24 -0.84 -2.79 114.28 100.86 2qbk n THR 37 Ca 0.06 0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 2qbk n THR 37 Cb 0.29 -0.84 0.03 0.00 -2.10 0.00 0.00 70.33 67.71 2qbk n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2qbk n TYR 38 N -1.06 1.35 -2.80 4.78 4.02 0.26 -4.94 117.16 118.77 2qbk n TYR 38 Ca 0.09 -2.77 -0.04 0.00 -0.01 0.00 0.00 57.90 55.16 2qbk n TYR 38 Cb 0.05 -0.35 0.01 0.00 -0.02 0.00 0.00 39.34 39.04 2qbk n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2qbk s THR 39 N -3.37 -0.97 -0.74 -0.72 -4.23 -0.92 -4.87 115.64 99.82 2qbk s THR 39 Ca 0.29 -0.98 -0.18 0.00 -1.18 0.00 0.00 61.69 59.64 2qbk s THR 39 Cb 0.45 -0.03 -0.17 0.00 1.34 0.00 0.00 72.50 74.09 2qbk s THR 39 CO 0.02 -0.03 1.88 -0.46 -0.54 0.00 0.00 174.62 175.48 2qbk n ASN 40 N 3.03 0.26 -3.71 3.99 0.23 -1.26 -4.74 115.26 113.05 2qbk n ASN 40 Ca 0.18 -1.86 -0.12 0.00 -0.53 0.00 0.00 54.58 52.26 2qbk n ASN 40 Cb 0.56 -1.31 -0.11 0.00 -2.08 0.00 0.00 39.78 36.84 2qbk n ASN 40 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2qbk s LYS 41 N 7.55 0.39 0.01 -3.83 1.02 -1.26 -5.06 119.74 118.55 2qbk s LYS 41 Ca 0.67 0.67 -0.01 0.00 0.02 0.00 0.00 55.97 57.32 2qbk s LYS 41 Cb -0.12 0.05 -0.00 0.00 -0.52 0.00 0.00 37.83 37.23 2qbk s LYS 41 CO 0.16 -0.12 0.70 1.17 -0.92 0.00 0.00 175.35 176.34 2qbk n LYS 42 N 3.77 -0.01 -0.22 1.68 3.00 -1.26 0.10 118.16 125.21 2qbk n LYS 42 Ca -0.20 0.70 0.18 0.00 -0.00 0.00 0.00 58.31 58.99 2qbk n LYS 42 Cb 0.56 -1.05 0.51 0.00 0.00 0.00 0.00 35.03 35.05 2qbk n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbk h ALA 43 N -0.63 2.18 -0.05 3.14 0.00 -1.96 -0.20 119.26 121.73 2qbk h ALA 43 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qbk h ALA 43 Cb 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qbk h ALA 43 CO -0.03 -0.44 0.20 0.00 0.00 0.00 0.00 179.25 178.98 2qbk h ALA 44 N 1.62 1.35 0.00 0.00 0.00 -0.63 0.47 119.26 122.06 2qbk h ALA 44 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2qbk h ALA 44 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qbk h ALA 44 CO -0.16 -0.22 -0.64 1.33 0.00 0.00 0.00 179.25 179.56 2qbk n VAL 45 N -3.18 0.02 -0.05 0.00 0.24 -0.09 -3.41 118.33 111.86 2qbk n VAL 45 Ca -0.01 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.34 62.23 2qbk n VAL 45 Cb 0.27 0.40 -0.01 0.00 -1.47 0.00 0.00 33.84 33.03 2qbk n VAL 45 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qbk n LEU 46 N -1.54 1.32 0.29 1.34 4.77 0.16 -3.43 117.00 119.90 2qbk n LEU 46 Ca 0.05 0.52 0.18 0.00 -0.03 0.00 0.00 56.01 56.74 2qbk n LEU 46 Cb 0.34 -0.77 0.95 0.00 -2.33 0.00 0.00 43.42 41.62 2qbk n LEU 46 CO 0.37 -0.48 1.15 -0.37 -1.33 0.00 0.00 177.39 176.74 2qbk h VAL 47 N -0.73 0.18 -0.23 4.08 -1.51 -1.58 0.23 116.25 116.70 2qbk h VAL 47 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.42 2qbk h VAL 47 Cb 0.38 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 2qbk h VAL 47 CO 0.00 0.00 -0.05 0.50 -1.23 0.00 0.00 177.57 176.79 2qbk h LYS 48 N 0.00 0.43 0.27 5.19 1.63 -1.71 -1.70 116.57 120.68 2qbk h LYS 48 Ca 0.03 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 2qbk h LYS 48 Cb 0.39 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2qbk h LYS 48 CO -0.00 0.67 -0.13 -0.22 -3.45 0.00 0.00 179.45 176.32 2qbk h LYS 49 N 0.17 -0.35 -1.02 1.90 3.64 -0.61 -2.77 116.57 117.52 2qbk h LYS 49 Ca 0.06 0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.72 2qbk h LYS 49 Cb 0.50 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 2qbk h LYS 49 CO 0.02 -0.03 0.67 0.28 -2.27 0.00 0.00 179.45 178.12 2qbk h VAL 50 N -0.71 0.54 0.64 2.00 2.07 -1.33 0.27 116.25 119.73 2qbk h VAL 50 Ca -0.04 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2qbk h VAL 50 Cb 0.48 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2qbk h VAL 50 CO 0.06 0.07 -0.34 0.25 0.02 0.00 0.00 177.57 177.63 2qbk h LEU 51 N 0.36 -0.82 0.00 2.57 5.85 -1.08 0.27 115.31 122.45 2qbk h LEU 51 Ca 0.57 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.32 2qbk h LEU 51 Cb 1.51 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.76 2qbk h LEU 51 CO -0.24 -0.55 0.00 -1.84 -0.34 0.00 0.00 178.44 175.46 2qbk n GLU 52 N -4.52 0.58 0.00 1.25 0.28 -0.34 0.68 120.64 118.56 2qbk n GLU 52 Ca -0.11 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.95 2qbk n GLU 52 Cb 0.36 -1.03 -0.07 0.00 1.43 0.00 0.00 31.44 32.13 2qbk n GLU 52 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2qbk n SER 53 N -0.53 0.63 -0.09 -1.84 7.64 0.81 -3.47 113.62 116.77 2qbk n SER 53 Ca 0.01 -0.82 -0.15 0.00 1.01 0.00 0.00 58.87 58.93 2qbk n SER 53 Cb 0.00 0.99 -0.08 0.00 -1.01 0.00 0.00 64.21 64.11 2qbk n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbk n ALA 54 N -1.29 1.63 -0.11 -0.43 0.00 0.21 -3.85 120.51 116.67 2qbk n ALA 54 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 53.44 52.70 2qbk n ALA 54 Cb 0.20 0.11 0.33 0.00 0.00 0.00 0.00 19.45 20.10 2qbk n ALA 54 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbk h ILE 55 N -0.15 1.15 0.76 0.00 5.03 -0.07 1.08 117.51 125.30 2qbk h ILE 55 Ca -0.43 -0.27 -0.04 0.00 -0.12 0.00 0.00 64.86 64.00 2qbk h ILE 55 Cb 1.60 0.29 0.01 0.00 -3.03 0.00 0.00 36.82 35.68 2qbk h ILE 55 CO -0.11 0.14 -0.36 0.00 -0.68 0.00 0.00 178.15 177.14 2qbk h ALA 56 N 1.64 -1.01 -0.08 1.87 0.00 -1.76 -1.33 119.26 118.58 2qbk h ALA 56 Ca 0.22 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qbk h ALA 56 Cb -0.09 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qbk h ALA 56 CO -0.05 -0.98 0.11 -0.91 0.00 0.00 0.00 179.25 177.42 2qbk h ASN 57 N -1.19 0.00 -0.35 0.00 -0.26 -1.52 0.31 115.58 112.58 2qbk h ASN 57 Ca -0.10 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.54 2qbk h ASN 57 Cb 0.80 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 2qbk h ASN 57 CO 0.17 0.00 -0.11 0.00 -1.06 0.00 0.00 177.43 176.43 2qbk h ALA 58 N 1.85 0.98 -1.52 -0.83 0.00 0.19 -3.33 119.26 116.60 2qbk h ALA 58 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qbk h ALA 58 Cb 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qbk h ALA 58 CO -0.00 0.61 0.00 0.39 0.00 0.00 0.00 179.25 180.25 2qbk n GLU 59 N -4.16 0.00 -0.50 0.00 -0.58 0.92 -1.49 120.64 114.82 2qbk n GLU 59 Ca 0.01 0.23 -0.29 0.00 -0.42 0.00 0.00 57.16 56.70 2qbk n GLU 59 Cb 0.37 -0.72 0.25 0.00 -0.57 0.00 0.00 31.44 30.77 2qbk n GLU 59 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2qbk n HIS 60 N -1.28 -0.99 0.00 -0.32 -0.00 -0.10 -4.25 115.22 108.28 2qbk n HIS 60 Ca 0.00 -0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2qbk n HIS 60 Cb 0.00 -1.74 0.00 0.00 -0.12 0.00 0.00 29.99 28.13 2qbk n HIS 60 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2qbk n ASN 61 N -4.83 0.00 -4.47 0.26 5.03 -1.26 -4.62 115.26 105.37 2qbk n ASN 61 Ca 0.04 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.26 2qbk n ASN 61 Cb 0.54 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.29 2qbk n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2qbk n ASP 62 N 4.25 2.60 -0.51 6.41 8.00 -1.25 -5.06 116.55 130.99 2qbk n ASP 62 Ca 0.00 -2.68 0.00 0.00 0.71 0.00 0.00 54.79 52.82 2qbk n ASP 62 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2qbk n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qbk n GLY 63 N -0.76 -0.43 0.00 0.44 0.00 -1.24 -3.96 105.19 99.24 2qbk n GLY 63 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2qbk n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk n ALA 64 N 0.08 0.00 -2.01 4.61 0.00 -0.56 -4.65 120.51 117.98 2qbk n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbk n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbk n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qbk n ASP 65 N 0.00 -9.47 -0.00 0.00 4.64 -1.26 -4.91 116.55 105.55 2qbk n ASP 65 Ca 0.00 1.41 -0.17 0.00 -1.38 0.00 0.00 54.79 54.65 2qbk n ASP 65 Cb 0.00 -5.24 -0.14 0.00 -1.04 0.00 0.00 41.12 34.70 2qbk n ASP 65 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 2qbk n ILE 66 N 1.09 1.73 -0.28 5.18 -0.00 -1.26 -4.28 119.36 121.55 2qbk n ILE 66 Ca 0.00 -0.70 0.34 0.00 -0.00 0.00 0.00 62.75 62.38 2qbk n ILE 66 Cb 0.00 -1.52 0.69 0.00 -0.00 0.00 0.00 39.64 38.81 2qbk n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2qbk h ASP 67 N 0.05 0.00 -0.55 7.28 3.32 -2.02 0.86 116.42 125.37 2qbk h ASP 67 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2qbk h ASP 67 Cb 2.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.58 2qbk h ASP 67 CO 0.09 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.71 2qbk n ASP 68 N -3.82 4.68 -4.90 6.45 5.75 -1.26 -4.97 116.55 118.47 2qbk n ASP 68 Ca 0.24 -2.60 -0.32 0.00 -0.01 0.00 0.00 54.79 52.11 2qbk n ASP 68 Cb 1.32 -0.57 -0.05 0.00 -1.03 0.00 0.00 41.12 40.79 2qbk n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qbk s LEU 69 N -2.11 4.33 -0.05 -2.12 1.02 0.30 -4.41 118.68 115.63 2qbk s LEU 69 Ca 0.48 0.45 -0.06 0.00 0.02 0.00 0.00 54.13 55.02 2qbk s LEU 69 Cb 0.33 -3.00 0.01 0.00 0.02 0.00 0.00 46.19 43.55 2qbk s LEU 69 CO 0.20 0.15 0.16 -1.59 0.02 0.00 0.00 176.35 175.29 2qbk s LYS 70 N -2.36 0.25 -1.14 1.70 -2.85 0.17 -3.32 119.74 112.19 2qbk s LYS 70 Ca 0.35 0.11 -0.23 0.00 -1.00 0.00 0.00 55.97 55.20 2qbk s LYS 70 Cb -0.13 0.12 -0.12 0.00 -2.06 0.00 0.00 37.83 35.64 2qbk s LYS 70 CO 0.24 -0.04 1.96 1.55 0.10 0.00 0.00 175.35 179.15 2qbk n VAL 71 N 2.69 1.61 0.16 1.79 3.14 0.28 -0.51 118.33 127.48 2qbk n VAL 71 Ca -0.14 -1.66 0.17 0.00 -2.96 0.00 0.00 64.34 59.74 2qbk n VAL 71 Cb 0.58 -2.15 0.77 0.00 -1.06 0.00 0.00 33.84 31.98 2qbk n VAL 71 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2qbk h THR 72 N 6.14 0.59 -2.05 1.55 1.35 -1.07 0.92 112.91 120.34 2qbk h THR 72 Ca 0.20 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.00 2qbk h THR 72 Cb 0.93 0.83 -0.19 0.00 -1.73 0.00 0.00 68.15 67.98 2qbk h THR 72 CO 1.23 0.00 0.16 -0.75 -0.25 0.00 0.00 175.52 175.91 2qbk s LYS 73 N -4.78 1.00 -0.19 4.72 2.47 0.69 -4.67 119.74 118.99 2qbk s LYS 73 Ca -0.05 0.37 -0.17 0.00 -1.56 0.00 0.00 55.97 54.56 2qbk s LYS 73 Cb 0.16 0.48 0.05 0.00 -1.46 0.00 0.00 37.83 37.06 2qbk s LYS 73 CO 0.61 -0.29 0.49 -1.50 0.16 0.00 0.00 175.35 174.82 2qbk s ILE 74 N -0.93 -0.00 -0.26 5.43 1.10 -1.26 0.93 121.20 126.21 2qbk s ILE 74 Ca -0.09 0.00 -0.28 0.00 -0.51 0.00 0.00 60.65 59.77 2qbk s ILE 74 Cb -0.01 -0.69 0.16 0.00 0.15 0.00 0.00 42.46 42.08 2qbk s ILE 74 CO 0.08 0.00 1.24 0.72 -2.11 0.00 0.00 174.94 174.87 2qbk s PHE 75 N 0.33 -0.19 0.14 3.50 -0.71 -0.65 -4.97 117.98 115.43 2qbk s PHE 75 Ca -0.01 0.40 0.11 0.00 -1.04 0.00 0.00 56.93 56.39 2qbk s PHE 75 Cb -0.04 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 2qbk s PHE 75 CO -0.00 -0.14 -0.25 0.14 -1.34 0.00 0.00 175.22 173.63 2qbk s VAL 76 N -0.58 2.37 0.06 -2.49 -7.23 -1.26 -0.96 120.40 110.31 2qbk s VAL 76 Ca 0.05 -1.78 0.06 0.00 -1.81 0.00 0.00 61.98 58.50 2qbk s VAL 76 Cb -0.02 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2qbk s VAL 76 CO -0.07 0.05 -0.16 -1.81 -0.31 0.00 0.00 175.10 172.79 2qbk s ASP 77 N -2.21 1.94 -0.31 4.85 1.11 -1.21 -4.92 116.67 115.93 2qbk s ASP 77 Ca 0.16 -0.56 -0.36 0.00 0.18 0.00 0.00 52.55 51.97 2qbk s ASP 77 Cb -0.10 -0.11 -0.12 0.00 1.07 0.00 0.00 42.92 43.67 2qbk s ASP 77 CO 0.07 0.02 2.11 -0.62 1.18 0.00 0.00 175.17 177.94 2qbk n GLU 78 N 1.53 1.20 -2.67 8.23 1.02 -1.26 -1.89 120.64 126.81 2qbk n GLU 78 Ca -0.19 0.36 -0.28 0.00 -0.02 0.00 0.00 57.16 57.03 2qbk n GLU 78 Cb 0.54 -2.45 -0.00 0.00 -0.02 0.00 0.00 31.44 29.50 2qbk n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2qbk s GLY 79 N 6.61 1.53 -0.88 0.62 0.00 -0.48 -4.86 107.32 109.87 2qbk s GLY 79 Ca 1.07 -0.49 -0.19 0.00 0.00 0.00 0.00 44.72 45.11 2qbk s GLY 79 CO 0.51 -0.32 2.32 -1.05 0.00 0.00 0.00 173.10 174.55 2qbk n PRO 80 N -2.17 0.31 -1.77 2.90 -0.02 -1.26 -3.65 135.00 129.35 2qbk n PRO 80 Ca 0.01 -0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 60.68 2qbk n PRO 80 Cb 0.55 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 2qbk n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qbk s SER 81 N 6.15 6.34 0.31 2.55 1.04 -1.26 -4.29 113.70 124.54 2qbk s SER 81 Ca 1.13 3.00 -0.26 0.00 0.48 0.00 0.00 55.95 60.30 2qbk s SER 81 Cb -0.50 -2.65 -0.10 0.00 0.10 0.00 0.00 66.02 62.87 2qbk s SER 81 CO 0.32 -0.92 0.93 -0.04 0.98 0.00 0.00 173.24 174.52 2qbk s MET 82 N -1.01 4.59 0.02 4.02 -1.94 0.18 -4.82 119.30 120.33 2qbk s MET 82 Ca 0.60 1.31 -0.10 0.00 -1.71 0.00 0.00 55.69 55.80 2qbk s MET 82 Cb -0.48 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.47 2qbk s MET 82 CO 0.53 0.30 0.34 0.15 -0.01 0.00 0.00 175.02 176.33 2qbk s LYS 83 N -1.99 3.71 0.37 2.03 -0.14 -1.26 -0.69 119.74 121.77 2qbk s LYS 83 Ca 0.49 0.13 -0.08 0.00 -1.36 0.00 0.00 55.97 55.15 2qbk s LYS 83 Cb -0.19 -3.09 0.03 0.00 -1.68 0.00 0.00 37.83 32.90 2qbk s LYS 83 CO 0.24 0.64 0.62 0.50 -0.76 0.00 0.00 175.35 176.59 2qbk s ARG 84 N -1.59 2.08 -0.01 1.68 6.06 -1.12 -4.93 118.95 121.11 2qbk s ARG 84 Ca 0.28 -1.63 0.04 0.00 -2.50 0.00 0.00 55.73 51.92 2qbk s ARG 84 Cb -0.14 0.53 -0.01 0.00 0.06 0.00 0.00 34.95 35.39 2qbk s ARG 84 CO 0.15 -0.92 -0.12 0.42 -2.50 0.00 0.00 175.30 172.33 2qbk s ILE 85 N -2.67 0.95 -0.16 4.11 1.01 -1.26 -4.44 121.20 118.74 2qbk s ILE 85 Ca 0.24 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 2qbk s ILE 85 Cb -0.03 -0.80 0.04 0.00 0.01 0.00 0.00 42.46 41.68 2qbk s ILE 85 CO 0.17 0.27 -0.08 -0.32 0.00 0.00 0.00 174.94 174.98 2qbk s MET 86 N -0.23 1.67 0.28 2.79 1.75 -1.11 -4.94 119.30 119.52 2qbk s MET 86 Ca 0.04 -0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 53.65 2qbk s MET 86 Cb -0.05 -2.00 -0.11 0.00 2.84 0.00 0.00 34.83 35.50 2qbk s MET 86 CO -0.00 -0.37 1.62 -2.14 -0.65 0.00 0.00 175.02 173.48 2qbk s PRO 87 N 1.59 4.11 0.07 4.11 0.02 -1.26 -2.19 135.00 141.45 2qbk s PRO 87 Ca 0.02 2.60 0.05 0.00 0.02 0.00 0.00 61.00 63.69 2qbk s PRO 87 Cb -0.14 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 2qbk s PRO 87 CO -0.08 -0.66 -0.15 0.50 -0.33 0.00 0.00 177.00 176.28 2qbk s ARG 88 N -0.28 0.86 0.65 5.54 6.06 0.51 -4.94 118.95 127.35 2qbk s ARG 88 Ca 0.65 -0.94 -0.17 0.00 -2.50 0.00 0.00 55.73 52.77 2qbk s ARG 88 Cb -0.48 -0.89 -0.09 0.00 0.06 0.00 0.00 34.95 33.54 2qbk s ARG 88 CO 0.46 0.20 0.21 0.00 -2.50 0.00 0.00 175.30 173.67 2qbk n ALA 89 N 1.38 -2.26 -1.79 6.12 0.00 -1.26 -0.90 120.51 121.79 2qbk n ALA 89 Ca -0.20 -0.18 -0.17 0.00 0.00 0.00 0.00 53.44 52.88 2qbk n ALA 89 Cb 0.54 -1.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 2qbk n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbk n LYS 90 N 0.37 -1.26 -2.38 0.00 5.02 -1.26 -3.07 118.16 115.59 2qbk n LYS 90 Ca 0.09 1.01 -0.06 0.00 -2.02 0.00 0.00 58.31 57.33 2qbk n LYS 90 Cb 0.49 -5.32 0.01 0.00 -0.02 0.00 0.00 35.03 30.19 2qbk n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbk n GLY 91 N -0.92 0.31 3.81 0.72 0.00 -0.99 -5.06 105.19 103.06 2qbk n GLY 91 Ca -0.18 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 2qbk n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbk s ARG 92 N -4.71 2.89 0.20 1.61 0.52 -0.08 -4.93 118.95 114.45 2qbk s ARG 92 Ca 0.06 -1.06 0.06 0.00 -0.52 0.00 0.00 55.73 54.28 2qbk s ARG 92 Cb -0.03 -2.55 -0.05 0.00 0.52 0.00 0.00 34.95 32.85 2qbk s ARG 92 CO 0.08 0.41 -0.12 0.00 0.02 0.00 0.00 175.30 175.69 2qbk s ALA 93 N -2.10 1.87 0.03 2.13 0.00 -1.26 0.19 121.76 122.62 2qbk s ALA 93 Ca 0.33 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 50.66 2qbk s ALA 93 Cb -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2qbk s ALA 93 CO 0.24 -0.01 -0.05 -0.51 0.00 0.00 0.00 175.76 175.43 2qbk s ASP 94 N -3.28 0.55 0.11 0.00 1.01 -0.93 -4.92 116.67 109.21 2qbk s ASP 94 Ca 0.22 -0.55 -0.34 0.00 0.71 0.00 0.00 52.55 52.59 2qbk s ASP 94 Cb 0.01 0.07 -0.13 0.00 1.01 0.00 0.00 42.92 43.88 2qbk s ASP 94 CO 0.05 -0.27 1.55 -0.09 0.21 0.00 0.00 175.17 176.62 2qbk h ARG 95 N 4.51 -0.59 -5.52 8.23 9.65 -1.92 -2.93 114.38 125.81 2qbk h ARG 95 Ca -0.34 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 2qbk h ARG 95 Cb 1.20 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.88 2qbk h ARG 95 CO 0.42 -0.39 -0.45 1.51 2.80 0.00 0.00 179.97 183.85 2qbk n ILE 96 N -5.41 -4.50 -4.11 1.20 3.06 -1.26 -3.50 119.36 104.83 2qbk n ILE 96 Ca -0.07 0.87 -0.34 0.00 -2.50 0.00 0.00 62.75 60.71 2qbk n ILE 96 Cb 0.38 -3.57 -0.11 0.00 0.54 0.00 0.00 39.64 36.88 2qbk n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2qbk s LEU 97 N -0.20 3.58 -1.11 9.51 2.01 -1.26 -2.81 118.68 128.40 2qbk s LEU 97 Ca -0.07 -0.02 -0.08 0.00 0.01 0.00 0.00 54.13 53.97 2qbk s LEU 97 Cb 0.00 -1.90 0.28 0.00 0.01 0.00 0.00 46.19 44.59 2qbk s LEU 97 CO 0.20 0.15 1.19 0.29 1.01 0.00 0.00 176.35 179.19 2qbk n LYS 98 N 3.68 3.72 -1.86 1.70 5.02 0.13 -4.87 118.16 125.69 2qbk n LYS 98 Ca -0.17 -4.47 -0.39 0.00 -2.02 0.00 0.00 58.31 51.26 2qbk n LYS 98 Cb 0.52 -2.55 0.02 0.00 -0.02 0.00 0.00 35.03 33.00 2qbk n LYS 98 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2qbk s ARG 99 N -1.55 3.53 0.53 1.97 1.70 -1.26 -0.64 118.95 123.23 2qbk s ARG 99 Ca 0.31 2.28 0.05 0.00 -0.47 0.00 0.00 55.73 57.90 2qbk s ARG 99 Cb -0.07 -2.51 0.03 0.00 -0.57 0.00 0.00 34.95 31.83 2qbk s ARG 99 CO -0.04 -0.89 0.37 0.95 -1.08 0.00 0.00 175.30 174.60 2qbk s THR 100 N -1.27 1.69 0.06 4.99 -4.23 -1.24 -3.79 115.64 111.85 2qbk s THR 100 Ca 0.64 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 2qbk s THR 100 Cb -0.41 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 2qbk s THR 100 CO 0.51 0.00 -0.07 -0.44 -0.54 0.00 0.00 174.62 174.08 2qbk s SER 101 N -4.23 0.84 -0.65 3.99 0.01 -0.50 -1.38 113.70 111.78 2qbk s SER 101 Ca 0.33 -0.71 0.05 0.00 1.31 0.00 0.00 55.95 56.94 2qbk s SER 101 Cb -0.02 0.07 0.27 0.00 0.21 0.00 0.00 66.02 66.56 2qbk s SER 101 CO 0.20 -0.32 0.83 1.41 0.41 0.00 0.00 173.24 175.78 2qbk n HIS 102 N 0.96 3.69 -1.62 2.43 8.25 -0.79 0.14 115.22 128.29 2qbk n HIS 102 Ca -0.19 -4.05 -0.40 0.00 -0.26 0.00 0.00 57.72 52.82 2qbk n HIS 102 Cb 0.57 -0.58 0.03 0.00 1.12 0.00 0.00 29.99 31.13 2qbk n HIS 102 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2qbk n ILE 103 N 0.62 2.95 -3.54 1.59 5.41 0.31 -3.29 119.36 123.40 2qbk n ILE 103 Ca 0.30 -0.50 -0.13 0.00 1.00 0.00 0.00 62.75 63.43 2qbk n ILE 103 Cb 0.40 -1.18 -0.11 0.00 -0.71 0.00 0.00 39.64 38.04 2qbk n ILE 103 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2qbk s THR 104 N -1.39 -0.48 -0.11 1.39 2.01 -0.13 -0.31 115.64 116.62 2qbk s THR 104 Ca 0.68 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 2qbk s THR 104 Cb -0.49 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 2qbk s THR 104 CO 0.53 -0.03 0.05 -0.69 -0.69 0.00 0.00 174.62 173.79 2qbk s VAL 105 N 2.46 4.72 -0.40 3.82 1.01 0.74 -1.64 120.40 131.11 2qbk s VAL 105 Ca 0.05 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2qbk s VAL 105 Cb -0.14 -3.03 0.13 0.00 0.00 0.00 0.00 36.38 33.35 2qbk s VAL 105 CO -0.12 0.59 0.22 -0.69 0.00 0.00 0.00 175.10 175.10 2qbk s VAL 106 N -0.78 0.87 0.46 2.92 1.01 0.26 -2.06 120.40 123.09 2qbk s VAL 106 Ca 0.12 -2.15 -0.06 0.00 0.00 0.00 0.00 61.98 59.90 2qbk s VAL 106 Cb -0.12 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2qbk s VAL 106 CO 0.03 -0.92 0.77 0.54 0.00 0.00 0.00 175.10 175.52 2qbk s VAL 107 N 0.72 4.90 0.19 2.92 0.11 -1.26 -0.23 120.40 127.76 2qbk s VAL 107 Ca 0.17 0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 59.34 2qbk s VAL 107 Cb -0.24 -3.84 0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2qbk s VAL 107 CO -0.01 -0.78 0.55 -0.24 -3.33 0.00 0.00 175.10 171.30 2qbk n SER 108 N -2.06 -1.30 -0.03 3.54 2.88 0.33 -4.40 113.62 112.58 2qbk n SER 108 Ca 0.01 -1.82 -0.02 0.00 -1.33 0.00 0.00 58.87 55.70 2qbk n SER 108 Cb 0.55 2.14 -0.01 0.00 -0.75 0.00 0.00 64.21 66.14 2qbk n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qbk n ASP 109 N -1.21 0.66 0.00 -3.46 9.92 -1.23 -0.66 116.55 120.57 2qbk n ASP 109 Ca -0.04 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 2qbk n ASP 109 Cb 0.37 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 2qbk n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19