#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc n GLU 2 N 0.00 0.65 -1.68 0.03 -0.58 -1.26 -3.58 120.64 114.21 2qbc n GLU 2 Ca 0.00 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 2qbc n GLU 2 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 2qbc n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2qbc n THR 3 N -3.97 -0.42 -3.94 2.62 5.66 -1.26 -4.18 114.28 108.79 2qbc n THR 3 Ca -0.35 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.38 2qbc n THR 3 Cb 0.86 -1.34 -0.01 0.00 -1.55 0.00 0.00 70.33 68.29 2qbc n THR 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2qbc s ILE 4 N 0.00 1.69 -0.29 1.09 -5.25 -1.26 -3.85 121.20 113.32 2qbc s ILE 4 Ca 0.00 -1.52 -0.17 0.00 -0.99 0.00 0.00 60.65 57.97 2qbc s ILE 4 Cb 0.00 -2.21 0.18 0.00 2.95 0.00 0.00 42.46 43.38 2qbc s ILE 4 CO 0.00 0.00 1.16 0.00 -1.79 0.00 0.00 174.94 174.31 2qbc s ALA 5 N -2.76 -2.48 0.33 2.27 0.00 -1.05 -4.89 121.76 113.17 2qbc s ALA 5 Ca 0.33 2.04 0.05 0.00 0.00 0.00 0.00 51.96 54.38 2qbc s ALA 5 Cb -0.02 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 2qbc s ALA 5 CO 0.20 -0.31 0.20 -1.59 0.00 0.00 0.00 175.76 174.26 2qbc s LYS 6 N 1.07 1.69 -0.11 0.00 0.00 -1.26 -1.80 119.74 119.32 2qbc s LYS 6 Ca -0.07 -1.98 0.01 0.00 0.00 0.00 0.00 55.97 53.93 2qbc s LYS 6 Cb -0.03 0.01 0.02 0.00 0.00 0.00 0.00 37.83 37.83 2qbc s LYS 6 CO -0.12 -0.53 -0.14 -1.58 0.00 0.00 0.00 175.35 172.98 2qbc s HIS 7 N -3.52 1.94 -0.11 1.78 2.46 -0.16 -4.97 115.29 112.70 2qbc s HIS 7 Ca 0.36 -0.94 -0.05 0.00 0.47 0.00 0.00 55.06 54.89 2qbc s HIS 7 Cb 0.04 -1.42 -0.04 0.00 -0.13 0.00 0.00 32.58 31.03 2qbc s HIS 7 CO 0.21 -0.51 0.08 1.03 -2.47 0.00 0.00 174.74 173.08 2qbc s ARG 8 N 1.13 3.31 -1.03 2.88 0.52 -1.26 -1.49 118.95 123.02 2qbc s ARG 8 Ca -0.04 -0.25 -0.04 0.00 -0.52 0.00 0.00 55.73 54.88 2qbc s ARG 8 Cb -0.14 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2qbc s ARG 8 CO -0.04 0.71 0.88 0.72 0.02 0.00 0.00 175.30 177.60 2qbc n HIS 9 N 2.16 -2.08 -1.88 -0.53 8.25 -0.17 -4.92 115.22 116.05 2qbc n HIS 9 Ca -0.19 0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 57.63 2qbc n HIS 9 Cb 0.54 -4.30 -0.03 0.00 1.12 0.00 0.00 29.99 27.33 2qbc n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbc s ALA 10 N -3.27 3.66 -0.76 -1.41 0.00 0.19 -4.64 121.76 115.53 2qbc s ALA 10 Ca 0.29 1.19 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 2qbc s ALA 10 Cb -0.13 -3.74 -0.13 0.00 0.00 0.00 0.00 23.12 19.12 2qbc s ALA 10 CO 0.58 -1.27 1.94 0.54 0.00 0.00 0.00 175.76 177.55 2qbc n ARG 11 N 6.32 1.56 0.00 0.00 5.12 -1.26 -1.11 116.66 127.28 2qbc n ARG 11 Ca 0.17 -1.69 0.00 0.00 -1.93 0.00 0.00 57.85 54.40 2qbc n ARG 11 Cb 0.41 -2.76 0.00 0.00 -1.16 0.00 0.00 32.46 28.94 2qbc n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qbc n SER 12 N 6.64 0.00 0.00 0.55 2.88 -1.26 -5.04 113.62 117.39 2qbc n SER 12 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2qbc n SER 12 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2qbc n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qbc n SER 13 N -0.92 0.00 0.00 -3.46 3.41 -1.25 -4.82 113.62 106.58 2qbc n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qbc n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbc n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbc n ALA 14 N 0.00 0.00 0.08 7.33 0.00 -1.26 -3.00 120.51 123.66 2qbc n ALA 14 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2qbc n ALA 14 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 2qbc n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc n GLN 15 N -0.54 0.05 -0.04 0.00 10.64 -1.26 0.85 117.38 127.07 2qbc n GLN 15 Ca 0.00 0.45 -0.13 0.00 -1.83 0.00 0.00 57.00 55.49 2qbc n GLN 15 Cb 0.00 -1.86 -0.14 0.00 -0.86 0.00 0.00 30.24 27.38 2qbc n GLN 15 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2qbc n LYS 16 N -1.69 0.68 -0.08 2.61 5.02 -1.26 -3.72 118.16 119.72 2qbc n LYS 16 Ca -0.00 0.22 -0.13 0.00 -2.02 0.00 0.00 58.31 56.38 2qbc n LYS 16 Cb 0.22 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.44 2qbc n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qbc h VAL 17 N 0.02 1.09 0.00 -0.18 2.07 0.10 -3.23 116.25 116.12 2qbc h VAL 17 Ca -0.40 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.18 2qbc h VAL 17 Cb 2.05 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 2qbc h VAL 17 CO 0.06 0.37 0.00 -2.11 0.02 0.00 0.00 177.57 175.91 2qbc n ARG 18 N -4.60 0.39 -0.08 1.57 1.85 0.20 -0.53 116.66 115.47 2qbc n ARG 18 Ca -0.14 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.60 2qbc n ARG 18 Cb 0.43 -1.10 -0.15 0.00 -1.05 0.00 0.00 32.46 30.59 2qbc n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2qbc n LEU 19 N -0.10 0.89 -0.08 2.89 7.94 -1.22 -4.24 117.00 123.08 2qbc n LEU 19 Ca 0.00 0.10 -0.06 0.00 -1.11 0.00 0.00 56.01 54.94 2qbc n LEU 19 Cb 0.05 0.07 -0.16 0.00 0.53 0.00 0.00 43.42 43.92 2qbc n LEU 19 CO 0.00 0.57 -1.07 0.55 -1.11 0.00 0.00 177.39 176.33 2qbc n VAL 20 N -2.96 1.09 -0.29 1.96 3.14 0.31 -4.39 118.33 117.19 2qbc n VAL 20 Ca -0.31 -0.77 0.01 0.00 -2.96 0.00 0.00 64.34 60.32 2qbc n VAL 20 Cb 1.10 -0.39 0.14 0.00 -1.06 0.00 0.00 33.84 33.63 2qbc n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbc h ALA 21 N 1.14 1.12 -0.35 1.55 0.00 -1.53 0.08 119.26 121.28 2qbc h ALA 21 Ca -0.43 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.56 2qbc h ALA 21 Cb 1.98 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 2qbc h ALA 21 CO 0.02 0.16 0.24 -0.44 0.00 0.00 0.00 179.25 179.23 2qbc h ASP 22 N 0.84 0.15 -0.98 0.00 5.19 -1.77 -1.24 116.42 118.62 2qbc h ASP 22 Ca 0.37 0.00 0.25 0.00 -0.62 0.00 0.00 57.03 57.03 2qbc h ASP 22 Cb 0.26 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 39.67 2qbc h ASP 22 CO -0.21 0.10 0.66 -0.07 -3.12 0.00 0.00 179.24 176.61 2qbc h LEU 23 N 0.17 0.27 0.00 1.55 3.38 -1.19 -3.35 115.31 116.15 2qbc h LEU 23 Ca 0.16 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2qbc h LEU 23 Cb 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2qbc h LEU 23 CO -0.02 0.08 0.00 -0.38 0.09 0.00 0.00 178.44 178.21 2qbc n ILE 24 N -4.45 0.00 -3.33 1.22 5.41 -0.47 -4.95 119.36 112.79 2qbc n ILE 24 Ca 0.22 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.70 2qbc n ILE 24 Cb 0.88 -0.18 0.03 0.00 -0.71 0.00 0.00 39.64 39.66 2qbc n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2qbc n ARG 25 N 0.00 -1.80 0.00 0.38 0.63 -1.17 -3.49 116.66 111.21 2qbc n ARG 25 Ca 0.00 1.49 0.00 0.00 -0.92 0.00 0.00 57.85 58.42 2qbc n ARG 25 Cb 0.00 -2.57 0.00 0.00 0.45 0.00 0.00 32.46 30.34 2qbc n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbc n GLY 26 N 0.07 3.33 2.70 5.14 0.00 0.23 -4.97 105.19 111.69 2qbc n GLY 26 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2qbc n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbc n LYS 27 N -1.89 2.09 0.00 1.61 5.02 -1.23 -4.42 118.16 119.34 2qbc n LYS 27 Ca 0.00 -1.63 0.00 0.00 -2.02 0.00 0.00 58.31 54.66 2qbc n LYS 27 Cb 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.40 2qbc n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2qbc n LYS 28 N 4.84 0.00 0.00 1.97 0.00 -1.26 -2.76 118.16 120.95 2qbc n LYS 28 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.79 2qbc n LYS 28 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.24 2qbc n LYS 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qbc n VAL 29 N 0.00 0.00 0.04 3.15 0.31 -1.18 0.31 118.33 120.97 2qbc n VAL 29 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2qbc n VAL 29 Cb 0.00 -0.04 -0.02 0.00 -0.91 0.00 0.00 33.84 32.88 2qbc n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2qbc h SER 30 N 0.00 -0.29 0.75 4.52 0.02 -1.83 -1.28 113.55 115.43 2qbc h SER 30 Ca 0.00 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 2qbc h SER 30 Cb 0.00 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2qbc h SER 30 CO 0.00 -0.12 -0.41 1.56 -1.14 0.00 0.00 176.83 176.72 2qbc h GLN 31 N -0.18 0.00 -0.14 3.45 1.08 -1.92 -2.38 115.11 115.02 2qbc h GLN 31 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2qbc h GLN 31 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2qbc h GLN 31 CO -0.03 0.41 0.00 0.00 -0.95 0.00 0.00 178.83 178.26 2qbc n ALA 32 N -2.33 1.92 0.00 3.87 0.00 -0.96 -1.83 120.51 121.18 2qbc n ALA 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qbc n ALA 32 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2qbc n ALA 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbc n LEU 33 N -0.28 1.48 0.31 0.00 0.00 -0.52 -4.69 117.00 113.29 2qbc n LEU 33 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 56.01 56.19 2qbc n LEU 33 Cb 0.04 0.00 1.04 0.00 0.00 0.00 0.00 43.42 44.49 2qbc n LEU 33 CO 0.00 0.25 1.14 0.44 0.00 0.00 0.00 177.39 179.22 2qbc h ASP 34 N 0.00 0.00 0.37 1.96 3.45 -1.06 -2.15 116.42 119.00 2qbc h ASP 34 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2qbc h ASP 34 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 2qbc h ASP 34 CO 0.00 0.01 -0.18 0.40 -1.57 0.00 0.00 179.24 177.90 2qbc h ILE 35 N 0.00 0.00 -0.51 0.35 1.08 -1.72 -2.81 117.51 113.90 2qbc h ILE 35 Ca -0.00 -0.29 0.10 0.00 -0.39 0.00 0.00 64.86 64.29 2qbc h ILE 35 Cb 0.03 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.68 2qbc h ILE 35 CO 0.00 0.00 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.25 2qbc h LEU 36 N -0.79 -0.51 -1.24 1.44 -0.00 -1.77 0.75 115.31 113.19 2qbc h LEU 36 Ca -0.05 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2qbc h LEU 36 Cb 0.38 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2qbc h LEU 36 CO 0.08 -0.18 0.05 0.35 -0.00 0.00 0.00 178.44 178.74 2qbc n THR 37 N -5.37 1.05 -2.83 0.22 -2.24 -0.83 -2.30 114.28 101.97 2qbc n THR 37 Ca 0.05 0.72 -0.20 0.00 -2.27 0.00 0.00 64.05 62.34 2qbc n THR 37 Cb 0.28 -1.72 -0.01 0.00 -2.10 0.00 0.00 70.33 66.78 2qbc n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2qbc n TYR 38 N -2.16 2.20 -3.20 4.78 4.02 0.26 -4.93 117.16 118.13 2qbc n TYR 38 Ca -0.01 -3.47 -0.02 0.00 -0.01 0.00 0.00 57.90 54.39 2qbc n TYR 38 Cb 0.07 -0.35 -0.02 0.00 -0.02 0.00 0.00 39.34 39.03 2qbc n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2qbc s THR 39 N -3.87 -0.91 -0.98 -0.72 -4.23 -0.97 -4.88 115.64 99.08 2qbc s THR 39 Ca 0.41 -0.22 -0.25 0.00 -1.18 0.00 0.00 61.69 60.46 2qbc s THR 39 Cb 0.37 -0.09 -0.22 0.00 1.34 0.00 0.00 72.50 73.89 2qbc s THR 39 CO -0.09 -0.08 2.02 -0.46 -0.54 0.00 0.00 174.62 175.46 2qbc n ASN 40 N 4.27 1.04 -3.67 3.99 0.23 -1.26 -4.71 115.26 115.15 2qbc n ASN 40 Ca 0.12 -2.40 -0.08 0.00 -0.53 0.00 0.00 54.58 51.68 2qbc n ASN 40 Cb 0.55 -1.62 -0.09 0.00 -2.08 0.00 0.00 39.78 36.54 2qbc n ASN 40 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2qbc s LYS 41 N 8.25 0.50 0.01 -3.83 1.02 -1.26 -5.06 119.74 119.37 2qbc s LYS 41 Ca 0.75 1.00 -0.02 0.00 0.02 0.00 0.00 55.97 57.72 2qbc s LYS 41 Cb -0.04 0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.39 2qbc s LYS 41 CO 0.18 -0.17 0.42 1.17 -0.92 0.00 0.00 175.35 176.03 2qbc n LYS 42 N 4.50 -0.03 -0.34 1.68 3.00 -1.26 0.74 118.16 126.45 2qbc n LYS 42 Ca -0.20 0.42 0.16 0.00 -0.00 0.00 0.00 58.31 58.69 2qbc n LYS 42 Cb 0.55 -0.63 0.36 0.00 0.00 0.00 0.00 35.03 35.31 2qbc n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbc h ALA 43 N -0.27 1.69 0.00 3.14 0.00 -1.95 0.71 119.26 122.58 2qbc h ALA 43 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qbc h ALA 43 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qbc h ALA 43 CO -0.07 -0.25 0.25 0.00 0.00 0.00 0.00 179.25 179.18 2qbc h ALA 44 N 1.71 1.18 0.00 0.00 0.00 0.04 0.47 119.26 122.67 2qbc h ALA 44 Ca 0.61 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.37 2qbc h ALA 44 Cb 1.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2qbc h ALA 44 CO -0.47 -0.18 -2.07 1.33 0.00 0.00 0.00 179.25 177.86 2qbc n VAL 45 N -2.22 0.59 0.04 0.00 0.24 0.23 -3.39 118.33 113.83 2qbc n VAL 45 Ca -0.01 -0.60 -0.20 0.00 -2.04 0.00 0.00 64.34 61.49 2qbc n VAL 45 Cb 0.28 -0.21 -0.14 0.00 -1.47 0.00 0.00 33.84 32.30 2qbc n VAL 45 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2qbc h LEU 46 N 0.00 0.49 -0.58 1.34 3.38 -0.12 -2.95 115.31 116.88 2qbc h LEU 46 Ca -0.23 -0.92 -0.15 0.00 0.09 0.00 0.00 57.88 56.67 2qbc h LEU 46 Cb 1.48 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2qbc h LEU 46 CO 0.01 1.37 -0.70 -0.37 0.09 0.00 0.00 178.44 178.84 2qbc h VAL 47 N -0.30 1.50 0.05 1.22 -1.51 -1.01 -3.07 116.25 113.12 2qbc h VAL 47 Ca -0.13 -2.39 0.02 0.00 -1.23 0.00 0.00 66.70 62.98 2qbc h VAL 47 Cb 1.59 2.29 -0.04 0.00 -2.13 0.00 0.00 31.29 33.00 2qbc h VAL 47 CO 0.15 0.68 -0.22 0.50 -1.23 0.00 0.00 177.57 177.45 2qbc h LYS 48 N 0.02 -0.37 0.65 5.19 1.63 -1.61 -0.87 116.57 121.22 2qbc h LYS 48 Ca -0.01 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2qbc h LYS 48 Cb 1.25 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 2qbc h LYS 48 CO 0.09 -0.24 -0.51 0.87 -3.45 0.00 0.00 179.45 176.21 2qbc h LYS 49 N -0.38 -1.07 -0.96 1.90 1.57 -1.51 -1.77 116.57 114.36 2qbc h LYS 49 Ca 0.05 0.07 0.27 0.00 -1.87 0.00 0.00 60.65 59.17 2qbc h LYS 49 Cb 0.43 0.24 -0.17 0.00 0.08 0.00 0.00 32.23 32.81 2qbc h LYS 49 CO -0.17 -0.72 0.08 0.28 -0.57 0.00 0.00 179.45 178.36 2qbc h VAL 50 N -1.12 0.08 0.30 0.50 2.07 -1.43 0.72 116.25 117.38 2qbc h VAL 50 Ca -0.08 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2qbc h VAL 50 Cb 0.93 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2qbc h VAL 50 CO 0.02 0.01 -0.22 0.25 0.02 0.00 0.00 177.57 177.64 2qbc h LEU 51 N 0.04 -0.58 -0.61 2.57 5.85 -0.62 0.46 115.31 122.42 2qbc h LEU 51 Ca 0.59 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.35 2qbc h LEU 51 Cb 1.24 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2qbc h LEU 51 CO -0.86 -0.32 0.00 -1.84 -0.34 0.00 0.00 178.44 175.08 2qbc n GLU 52 N -3.67 0.55 -0.00 1.25 0.28 0.09 0.62 120.64 119.76 2qbc n GLU 52 Ca -0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.95 2qbc n GLU 52 Cb 0.22 -1.17 -0.02 0.00 1.43 0.00 0.00 31.44 31.90 2qbc n GLU 52 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2qbc n SER 53 N -0.06 0.58 -0.10 -1.84 7.64 0.23 -4.18 113.62 115.90 2qbc n SER 53 Ca 0.00 -0.51 -0.15 0.00 1.01 0.00 0.00 58.87 59.22 2qbc n SER 53 Cb 0.08 1.02 -0.09 0.00 -1.01 0.00 0.00 64.21 64.21 2qbc n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbc n ALA 54 N -1.13 1.57 -0.17 -0.43 0.00 0.20 -3.77 120.51 116.77 2qbc n ALA 54 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 53.44 52.65 2qbc n ALA 54 Cb 0.05 0.05 0.36 0.00 0.00 0.00 0.00 19.45 19.91 2qbc n ALA 54 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbc h ILE 55 N -0.05 1.01 0.30 0.00 5.03 -0.49 0.46 117.51 123.77 2qbc h ILE 55 Ca -0.46 -0.25 -0.01 0.00 -0.12 0.00 0.00 64.86 64.02 2qbc h ILE 55 Cb 1.68 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 35.70 2qbc h ILE 55 CO -0.09 0.13 -0.14 0.00 -0.68 0.00 0.00 178.15 177.37 2qbc h ALA 56 N 1.62 -0.40 -0.18 1.87 0.00 -1.76 -2.08 119.26 118.33 2qbc h ALA 56 Ca 0.31 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2qbc h ALA 56 Cb 0.28 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2qbc h ALA 56 CO -0.10 -0.57 0.30 -0.91 0.00 0.00 0.00 179.25 177.97 2qbc h ASN 57 N -0.72 0.00 -0.19 0.00 -0.26 -1.33 0.22 115.58 113.30 2qbc h ASN 57 Ca -0.04 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.64 2qbc h ASN 57 Cb 0.49 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 2qbc h ASN 57 CO 0.07 0.00 -0.10 0.00 -1.06 0.00 0.00 177.43 176.34 2qbc h ALA 58 N 1.57 0.26 -2.30 -0.83 0.00 0.54 -3.34 119.26 115.17 2qbc h ALA 58 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qbc h ALA 58 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qbc h ALA 58 CO -0.00 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.73 2qbc n GLU 59 N -4.58 0.00 -0.40 0.00 -0.58 0.68 -2.19 120.64 113.58 2qbc n GLU 59 Ca -0.05 0.12 -0.30 0.00 -0.42 0.00 0.00 57.16 56.51 2qbc n GLU 59 Cb 0.32 -0.90 0.28 0.00 -0.57 0.00 0.00 31.44 30.57 2qbc n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2qbc s HIS 60 N -0.92 0.11 0.00 -0.32 2.46 -0.69 -4.23 115.29 111.69 2qbc s HIS 60 Ca 0.00 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.35 2qbc s HIS 60 Cb 0.00 -2.95 0.00 0.00 -0.13 0.00 0.00 32.58 29.50 2qbc s HIS 60 CO 0.00 -4.65 0.00 0.09 -2.47 0.00 0.00 174.74 167.71 2qbc n ASN 61 N -5.43 0.00 -0.20 9.88 5.03 -1.26 -4.61 115.26 118.67 2qbc n ASN 61 Ca 0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.53 2qbc n ASN 61 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.34 2qbc n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2qbc n ASP 62 N 4.40 1.74 -0.02 6.41 8.00 -1.25 -5.08 116.55 130.74 2qbc n ASP 62 Ca 0.00 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2qbc n ASP 62 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2qbc n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qbc n GLY 63 N 5.00 0.30 0.00 0.44 0.00 -1.23 -4.18 105.19 105.53 2qbc n GLY 63 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2qbc n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbc n ALA 64 N 0.66 0.00 -1.93 4.61 0.00 -0.93 -4.72 120.51 118.19 2qbc n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbc n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbc n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qbc n ASP 65 N 0.00 -9.44 0.02 0.00 2.03 -1.26 -4.89 116.55 103.01 2qbc n ASP 65 Ca 0.00 1.37 0.11 0.00 0.52 0.00 0.00 54.79 56.79 2qbc n ASP 65 Cb 0.00 -5.12 -0.11 0.00 -0.72 0.00 0.00 41.12 35.17 2qbc n ASP 65 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2qbc n ILE 66 N 0.84 0.19 0.29 5.18 -0.00 -1.26 -4.32 119.36 120.27 2qbc n ILE 66 Ca 0.00 -0.49 0.17 0.00 -0.00 0.00 0.00 62.75 62.43 2qbc n ILE 66 Cb 0.00 -0.07 0.95 0.00 -0.00 0.00 0.00 39.64 40.52 2qbc n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2qbc h ASP 67 N 0.00 0.00 -0.49 7.28 3.32 -2.02 -2.14 116.42 122.37 2qbc h ASP 67 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 2qbc h ASP 67 Cb 0.98 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.35 2qbc h ASP 67 CO 0.00 0.00 -0.10 -0.90 -1.72 0.00 0.00 179.24 176.52 2qbc n ASP 68 N -3.69 3.33 -4.76 6.45 5.75 -1.26 -5.01 116.55 117.35 2qbc n ASP 68 Ca -0.02 -3.79 -0.36 0.00 -0.01 0.00 0.00 54.79 50.61 2qbc n ASP 68 Cb 0.13 -0.63 -0.08 0.00 -1.03 0.00 0.00 41.12 39.52 2qbc n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qbc s LEU 69 N -3.37 3.92 0.00 -2.12 1.02 -0.81 -4.37 118.68 112.96 2qbc s LEU 69 Ca 0.48 0.28 0.02 0.00 0.02 0.00 0.00 54.13 54.92 2qbc s LEU 69 Cb 0.42 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.70 2qbc s LEU 69 CO 0.00 0.39 -0.06 -1.59 0.02 0.00 0.00 176.35 175.11 2qbc s LYS 70 N -0.92 0.44 -0.98 1.70 -2.85 0.63 -3.08 119.74 114.68 2qbc s LYS 70 Ca 0.14 -0.29 -0.21 0.00 -1.00 0.00 0.00 55.97 54.61 2qbc s LYS 70 Cb -0.12 -0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 35.16 2qbc s LYS 70 CO 0.03 0.10 1.97 1.55 0.10 0.00 0.00 175.35 179.10 2qbc n VAL 71 N 2.67 2.23 -0.33 1.79 3.14 0.15 0.31 118.33 128.29 2qbc n VAL 71 Ca -0.15 -2.04 0.27 0.00 -2.96 0.00 0.00 64.34 59.47 2qbc n VAL 71 Cb 0.58 -2.35 0.59 0.00 -1.06 0.00 0.00 33.84 31.60 2qbc n VAL 71 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2qbc h THR 72 N 4.73 0.46 -2.68 1.55 1.35 -1.57 0.66 112.91 117.41 2qbc h THR 72 Ca 0.42 -0.09 -0.10 0.00 -0.55 0.00 0.00 66.41 66.09 2qbc h THR 72 Cb 0.72 0.19 -0.20 0.00 -1.73 0.00 0.00 68.15 67.13 2qbc h THR 72 CO 1.80 0.05 -0.12 -0.75 -0.25 0.00 0.00 175.52 176.25 2qbc s LYS 73 N -5.31 0.80 -0.10 4.72 2.47 -0.73 -4.61 119.74 116.98 2qbc s LYS 73 Ca -0.08 -0.03 -0.21 0.00 -1.56 0.00 0.00 55.97 54.09 2qbc s LYS 73 Cb 0.25 0.37 0.05 0.00 -1.46 0.00 0.00 37.83 37.03 2qbc s LYS 73 CO 0.80 -0.23 0.50 -1.50 0.16 0.00 0.00 175.35 175.08 2qbc s ILE 74 N -1.27 0.02 -0.28 5.43 1.10 -1.26 -0.13 121.20 124.81 2qbc s ILE 74 Ca -0.13 -0.15 -0.35 0.00 -0.51 0.00 0.00 60.65 59.51 2qbc s ILE 74 Cb -0.03 -0.77 0.17 0.00 0.15 0.00 0.00 42.46 41.97 2qbc s ILE 74 CO 0.06 -0.08 1.36 0.72 -2.11 0.00 0.00 174.94 174.89 2qbc s PHE 75 N -0.66 -0.03 0.04 3.50 -0.71 -0.89 -5.01 117.98 114.21 2qbc s PHE 75 Ca -0.08 0.03 0.03 0.00 -1.04 0.00 0.00 56.93 55.88 2qbc s PHE 75 Cb -0.03 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.26 2qbc s PHE 75 CO 0.05 -0.04 -0.10 0.14 -1.34 0.00 0.00 175.22 173.93 2qbc s VAL 76 N -1.77 0.73 0.20 -2.49 -7.23 -1.26 -0.40 120.40 108.18 2qbc s VAL 76 Ca 0.11 -0.94 0.08 0.00 -1.81 0.00 0.00 61.98 59.42 2qbc s VAL 76 Cb -0.01 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 2qbc s VAL 76 CO -0.04 -0.18 -0.16 -1.81 -0.31 0.00 0.00 175.10 172.60 2qbc s ASP 77 N -1.24 2.70 0.08 4.85 1.11 -1.09 -4.90 116.67 118.19 2qbc s ASP 77 Ca -0.04 -0.97 -0.31 0.00 0.18 0.00 0.00 52.55 51.40 2qbc s ASP 77 Cb -0.08 -0.16 -0.11 0.00 1.07 0.00 0.00 42.92 43.64 2qbc s ASP 77 CO 0.01 -0.11 1.86 -0.62 1.18 0.00 0.00 175.17 177.49 2qbc n GLU 78 N -0.20 2.71 -3.84 8.23 1.02 -1.26 -1.86 120.64 125.44 2qbc n GLU 78 Ca -0.09 0.99 -0.21 0.00 -0.02 0.00 0.00 57.16 57.83 2qbc n GLU 78 Cb 0.59 -2.88 -0.02 0.00 -0.02 0.00 0.00 31.44 29.11 2qbc n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2qbc s GLY 79 N 3.13 1.45 -0.78 0.62 0.00 -0.59 -4.86 107.32 106.29 2qbc s GLY 79 Ca 0.84 -1.40 -0.25 0.00 0.00 0.00 0.00 44.72 43.91 2qbc s GLY 79 CO 0.40 -1.38 2.48 -1.05 0.00 0.00 0.00 173.10 173.54 2qbc n PRO 80 N -1.42 0.47 -2.18 2.90 -0.02 -1.26 -3.78 135.00 129.70 2qbc n PRO 80 Ca -0.05 -0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 60.88 2qbc n PRO 80 Cb 0.58 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 2qbc n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qbc s SER 81 N 9.24 6.85 0.15 2.55 1.04 -1.26 -4.26 113.70 128.02 2qbc s SER 81 Ca 1.15 2.44 -0.30 0.00 0.48 0.00 0.00 55.95 59.72 2qbc s SER 81 Cb -0.63 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 62.81 2qbc s SER 81 CO 0.35 -0.56 1.04 -0.04 0.98 0.00 0.00 173.24 175.01 2qbc s MET 82 N -0.07 4.64 0.20 4.02 -1.94 -0.80 -4.80 119.30 120.56 2qbc s MET 82 Ca 0.58 1.60 -0.13 0.00 -1.71 0.00 0.00 55.69 56.03 2qbc s MET 82 Cb -0.37 -3.32 -0.07 0.00 2.01 0.00 0.00 34.83 33.07 2qbc s MET 82 CO 0.38 0.14 0.59 0.15 -0.01 0.00 0.00 175.02 176.27 2qbc s LYS 83 N -0.20 3.94 0.27 2.03 -0.14 -1.26 -0.08 119.74 124.29 2qbc s LYS 83 Ca 0.48 0.47 -0.06 0.00 -1.36 0.00 0.00 55.97 55.50 2qbc s LYS 83 Cb -0.27 -2.76 0.02 0.00 -1.68 0.00 0.00 37.83 33.14 2qbc s LYS 83 CO 0.33 0.37 0.45 -2.13 -0.76 0.00 0.00 175.35 173.61 2qbc n ARG 84 N 0.32 0.65 -4.11 1.68 3.00 -1.11 -4.93 116.66 112.17 2qbc n ARG 84 Ca -0.02 -1.81 -0.17 0.00 -0.00 0.00 0.00 57.85 55.85 2qbc n ARG 84 Cb 0.52 1.96 -0.15 0.00 0.00 0.00 0.00 32.46 34.79 2qbc n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2qbc s ILE 85 N -2.54 0.37 -0.17 5.15 1.01 -1.26 -4.41 121.20 119.36 2qbc s ILE 85 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2qbc s ILE 85 Cb -0.02 -0.36 0.03 0.00 0.01 0.00 0.00 42.46 42.12 2qbc s ILE 85 CO 0.12 0.14 -0.12 -0.04 0.00 0.00 0.00 174.94 175.04 2qbc s MET 86 N 0.32 2.11 0.37 2.79 -1.94 -0.84 -4.91 119.30 117.21 2qbc s MET 86 Ca -0.03 -0.67 -0.28 0.00 -1.71 0.00 0.00 55.69 53.00 2qbc s MET 86 Cb -0.07 -2.21 -0.11 0.00 2.01 0.00 0.00 34.83 34.44 2qbc s MET 86 CO -0.00 -0.33 1.51 -2.30 -0.01 0.00 0.00 175.02 173.89 2qbc n PRO 87 N 4.75 2.71 -4.39 2.03 -0.02 -1.26 -1.69 135.00 137.12 2qbc n PRO 87 Ca -0.16 0.95 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 2qbc n PRO 87 Cb 0.48 -2.70 -0.10 0.00 -0.02 0.00 0.00 33.50 31.17 2qbc n PRO 87 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qbc s ARG 88 N -1.90 1.58 0.27 -0.52 3.00 0.57 -4.92 118.95 117.02 2qbc s ARG 88 Ca 0.54 -1.88 -0.30 0.00 0.00 0.00 0.00 55.73 54.10 2qbc s ARG 88 Cb -0.47 -0.53 -0.11 0.00 0.00 0.00 0.00 34.95 33.84 2qbc s ARG 88 CO 0.62 -0.28 1.49 0.00 0.00 0.00 0.00 175.30 177.13 2qbc s ALA 89 N -3.50 3.66 -0.57 2.13 0.00 -1.26 -2.97 121.76 119.26 2qbc s ALA 89 Ca 0.36 1.42 -0.02 0.00 0.00 0.00 0.00 51.96 53.72 2qbc s ALA 89 Cb 0.07 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2qbc s ALA 89 CO 0.15 -0.84 0.30 1.63 0.00 0.00 0.00 175.76 176.99 2qbc n LYS 90 N 2.11 -2.20 -1.80 0.00 5.02 -1.26 -3.64 118.16 116.39 2qbc n LYS 90 Ca 0.07 0.34 -0.12 0.00 -2.02 0.00 0.00 58.31 56.57 2qbc n LYS 90 Cb 0.39 -3.96 -0.03 0.00 -0.02 0.00 0.00 35.03 31.42 2qbc n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbc n GLY 91 N -1.05 0.59 3.92 0.72 0.00 -1.17 -5.02 105.19 103.18 2qbc n GLY 91 Ca -0.03 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 2qbc n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbc s ARG 92 N -3.84 3.57 0.33 1.61 0.52 -1.16 -4.90 118.95 115.09 2qbc s ARG 92 Ca 0.00 -0.20 0.07 0.00 -0.52 0.00 0.00 55.73 55.08 2qbc s ARG 92 Cb 0.00 -2.78 -0.07 0.00 0.52 0.00 0.00 34.95 32.62 2qbc s ARG 92 CO 0.00 0.36 -0.02 0.00 0.02 0.00 0.00 175.30 175.66 2qbc s ALA 93 N -1.89 2.67 -0.02 2.13 0.00 -1.26 0.21 121.76 123.59 2qbc s ALA 93 Ca 0.40 -2.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.26 2qbc s ALA 93 Cb -0.11 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2qbc s ALA 93 CO 0.28 -0.11 0.07 -0.51 0.00 0.00 0.00 175.76 175.50 2qbc s ASP 94 N -3.55 -0.05 0.13 0.00 1.01 -0.68 -4.89 116.67 108.63 2qbc s ASP 94 Ca 0.33 0.08 -0.31 0.00 0.71 0.00 0.00 52.55 53.37 2qbc s ASP 94 Cb 0.06 0.16 -0.07 0.00 1.01 0.00 0.00 42.92 44.08 2qbc s ASP 94 CO 0.15 -0.07 1.57 -0.09 0.21 0.00 0.00 175.17 176.94 2qbc h ARG 95 N 5.82 -0.44 -4.73 8.23 9.65 -1.91 -2.22 114.38 128.77 2qbc h ARG 95 Ca -0.25 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2qbc h ARG 95 Cb 1.20 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.87 2qbc h ARG 95 CO 0.45 -0.30 -0.39 1.51 2.80 0.00 0.00 179.97 184.05 2qbc n ILE 96 N -5.42 -4.61 -3.92 1.20 3.06 -1.26 -3.03 119.36 105.38 2qbc n ILE 96 Ca -0.04 1.01 -0.35 0.00 -2.50 0.00 0.00 62.75 60.88 2qbc n ILE 96 Cb 0.36 -3.28 -0.09 0.00 0.54 0.00 0.00 39.64 37.17 2qbc n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2qbc s LEU 97 N -0.21 4.00 -0.95 9.51 2.01 -1.26 -2.75 118.68 129.03 2qbc s LEU 97 Ca -0.03 0.18 -0.01 0.00 0.01 0.00 0.00 54.13 54.28 2qbc s LEU 97 Cb 0.00 -2.01 0.31 0.00 0.01 0.00 0.00 46.19 44.50 2qbc s LEU 97 CO 0.08 0.21 1.51 0.29 1.01 0.00 0.00 176.35 179.45 2qbc n LYS 98 N 3.28 4.59 -1.62 1.70 5.02 0.88 -4.90 118.16 127.12 2qbc n LYS 98 Ca -0.17 -4.66 -0.40 0.00 -2.02 0.00 0.00 58.31 51.07 2qbc n LYS 98 Cb 0.53 -2.43 0.03 0.00 -0.02 0.00 0.00 35.03 33.13 2qbc n LYS 98 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2qbc n ARG 99 N 0.44 1.19 -4.21 1.97 1.85 -1.26 -1.90 116.66 114.73 2qbc n ARG 99 Ca 0.37 0.44 -0.26 0.00 -1.00 0.00 0.00 57.85 57.40 2qbc n ARG 99 Cb 0.31 -2.12 -0.07 0.00 -1.05 0.00 0.00 32.46 29.53 2qbc n ARG 99 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2qbc s THR 100 N -1.39 2.14 0.24 8.89 -4.23 -1.25 -3.92 115.64 116.12 2qbc s THR 100 Ca 0.69 -1.74 0.09 0.00 -1.18 0.00 0.00 61.69 59.54 2qbc s THR 100 Cb -0.48 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.43 2qbc s THR 100 CO 0.53 0.00 -0.15 -0.44 -0.54 0.00 0.00 174.62 174.02 2qbc s SER 101 N -3.91 2.88 -0.57 3.99 0.01 -0.27 -1.55 113.70 114.29 2qbc s SER 101 Ca 0.37 -1.05 0.06 0.00 1.31 0.00 0.00 55.95 56.64 2qbc s SER 101 Cb 0.04 -0.19 0.22 0.00 0.21 0.00 0.00 66.02 66.30 2qbc s SER 101 CO 0.21 -0.14 0.58 1.41 0.41 0.00 0.00 173.24 175.70 2qbc n HIS 102 N -0.48 2.00 -1.90 2.43 8.25 -0.78 0.55 115.22 125.30 2qbc n HIS 102 Ca -0.07 -3.94 -0.37 0.00 -0.26 0.00 0.00 57.72 53.08 2qbc n HIS 102 Cb 0.61 -0.41 0.04 0.00 1.12 0.00 0.00 29.99 31.35 2qbc n HIS 102 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qbc s ILE 103 N -1.59 2.36 -0.28 1.59 1.01 -0.55 -2.68 121.20 121.06 2qbc s ILE 103 Ca 0.34 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.23 2qbc s ILE 103 Cb 0.09 -3.10 0.16 0.00 0.01 0.00 0.00 42.46 39.62 2qbc s ILE 103 CO -0.10 -0.03 0.44 -0.89 0.00 0.00 0.00 174.94 174.36 2qbc s THR 104 N -1.46 -0.70 -0.01 2.92 2.01 0.46 -0.99 115.64 117.87 2qbc s THR 104 Ca 0.76 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.51 2qbc s THR 104 Cb -0.35 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 2qbc s THR 104 CO 0.39 -0.17 0.31 -0.69 -0.69 0.00 0.00 174.62 173.77 2qbc s VAL 105 N 2.61 5.22 -0.37 3.82 1.01 -0.75 -2.10 120.40 129.84 2qbc s VAL 105 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2qbc s VAL 105 Cb -0.13 -3.59 0.13 0.00 0.00 0.00 0.00 36.38 32.79 2qbc s VAL 105 CO -0.24 0.47 0.20 -0.69 0.00 0.00 0.00 175.10 174.85 2qbc s VAL 106 N -1.19 0.64 0.13 2.92 1.01 0.82 -2.52 120.40 122.20 2qbc s VAL 106 Ca 0.25 -1.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.13 2qbc s VAL 106 Cb -0.14 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 2qbc s VAL 106 CO 0.13 -0.91 0.61 0.54 0.00 0.00 0.00 175.10 175.47 2qbc s VAL 107 N 0.94 4.71 0.00 2.92 0.11 -1.25 -1.50 120.40 126.34 2qbc s VAL 107 Ca 0.16 1.15 0.00 0.00 -2.93 0.00 0.00 61.98 60.37 2qbc s VAL 107 Cb -0.23 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 2qbc s VAL 107 CO -0.04 0.40 0.00 -0.24 -3.33 0.00 0.00 175.10 171.88 2qbc n SER 108 N 1.25 0.00 -0.07 3.54 2.88 0.15 -4.32 113.62 117.05 2qbc n SER 108 Ca -0.07 -0.83 -0.07 0.00 -1.33 0.00 0.00 58.87 56.57 2qbc n SER 108 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 2qbc n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qbc n ASP 109 N -1.85 1.56 0.00 -3.46 9.92 -1.24 -0.27 116.55 121.21 2qbc n ASP 109 Ca 0.00 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 2qbc n ASP 109 Cb 0.00 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 2qbc n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19