#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc h LYS 3 N 0.00 0.00 0.01 -0.67 -0.00 -2.06 0.60 116.57 114.44 2qbc h LYS 3 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2qbc h LYS 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2qbc h LYS 3 CO 0.00 0.00 -0.01 -0.22 -0.00 0.00 0.00 179.45 179.22 2qbc h LYS 4 N 0.00 -0.02 -0.85 0.07 3.64 -2.06 -3.25 116.57 114.10 2qbc h LYS 4 Ca 0.57 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 60.20 2qbc h LYS 4 Cb 2.68 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 34.47 2qbc h LYS 4 CO -0.01 0.32 0.69 0.77 -2.27 0.00 0.00 179.45 178.95 2qbc h SER 5 N -1.00 0.00 0.00 4.20 0.02 -1.39 -2.67 113.55 112.71 2qbc h SER 5 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qbc h SER 5 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2qbc h SER 5 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2qbc n ALA 6 N -2.60 -0.28 -0.34 3.77 0.00 -0.49 -3.40 120.51 117.17 2qbc n ALA 6 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.62 2qbc n ALA 6 Cb 0.98 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.49 2qbc n ALA 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qbc n ARG 7 N -1.71 -0.18 0.00 0.00 0.63 -1.03 -1.99 116.66 112.38 2qbc n ARG 7 Ca 0.00 1.41 0.00 0.00 -0.92 0.00 0.00 57.85 58.34 2qbc n ARG 7 Cb 0.00 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 30.82 2qbc n ARG 7 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2qbc n ILE 8 N -5.38 0.00 -0.35 5.15 5.41 -1.07 -1.37 119.36 121.75 2qbc n ILE 8 Ca 0.11 1.46 0.10 0.00 1.00 0.00 0.00 62.75 65.42 2qbc n ILE 8 Cb 0.39 -1.98 0.28 0.00 -0.71 0.00 0.00 39.64 37.62 2qbc n ILE 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2qbc h ARG 9 N 0.00 0.80 -0.69 0.38 -0.00 -1.41 0.15 114.38 113.61 2qbc h ARG 9 Ca 0.00 -0.05 0.17 0.00 -0.00 0.00 0.00 59.98 60.11 2qbc h ARG 9 Cb 0.00 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.97 29.75 2qbc h ARG 9 CO 0.00 0.53 0.48 0.00 -0.00 0.00 0.00 179.97 180.98 2qbc h ARG 10 N 0.82 0.16 0.00 0.08 3.08 -0.77 -0.86 114.38 116.89 2qbc h ARG 10 Ca 0.53 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.43 2qbc h ARG 10 Cb 0.72 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 2qbc h ARG 10 CO -0.34 0.11 -1.82 0.00 -1.07 0.00 0.00 179.97 176.85 2qbc n ALA 11 N -2.61 2.19 0.07 0.04 0.00 0.31 -4.18 120.51 116.33 2qbc n ALA 11 Ca 0.13 -0.70 0.21 0.00 0.00 0.00 0.00 53.44 53.08 2qbc n ALA 11 Cb 0.65 -0.71 0.66 0.00 0.00 0.00 0.00 19.45 20.06 2qbc n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qbc h THR 12 N 0.00 0.23 0.00 0.00 2.02 0.60 0.20 112.91 115.96 2qbc h THR 12 Ca -0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2qbc h THR 12 Cb 1.49 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2qbc h THR 12 CO 0.02 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.77 2qbc n ARG 13 N -3.45 0.00 -0.13 6.66 3.00 -1.22 -3.28 116.66 118.25 2qbc n ARG 13 Ca 0.09 0.00 0.22 0.00 -0.00 0.00 0.00 57.85 58.16 2qbc n ARG 13 Cb 0.80 -0.76 0.65 0.00 0.00 0.00 0.00 32.46 33.14 2qbc n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbc h ALA 14 N -2.00 2.52 0.00 5.13 0.00 -1.76 0.38 119.26 123.53 2qbc h ALA 14 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qbc h ALA 14 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qbc h ALA 14 CO 0.00 -0.74 0.00 0.54 0.00 0.00 0.00 179.25 179.05 2qbc n ARG 15 N -4.38 0.47 -0.03 0.00 1.74 0.68 -0.62 116.66 114.53 2qbc n ARG 15 Ca 0.15 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.19 2qbc n ARG 15 Cb 0.74 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.82 2qbc n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qbc n ARG 16 N -0.82 1.23 0.23 5.56 3.00 0.13 -4.05 116.66 121.93 2qbc n ARG 16 Ca 0.07 0.02 0.15 0.00 -0.00 0.00 0.00 57.85 58.09 2qbc n ARG 16 Cb 0.03 -1.13 0.51 0.00 0.00 0.00 0.00 32.46 31.87 2qbc n ARG 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2qbc h LYS 17 N 0.00 0.00 0.14 -0.14 3.11 -1.12 0.10 116.57 118.67 2qbc h LYS 17 Ca -0.14 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.49 2qbc h LYS 17 Cb 1.25 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.50 2qbc h LYS 17 CO -0.01 0.00 -0.97 1.25 -2.81 0.00 0.00 179.45 176.91 2qbc h LEU 18 N 0.00 0.47 0.06 5.20 5.85 -1.09 -2.31 115.31 123.49 2qbc h LEU 18 Ca 0.00 -0.93 -0.00 0.00 0.84 0.00 0.00 57.88 57.79 2qbc h LEU 18 Cb 0.63 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2qbc h LEU 18 CO 0.00 1.46 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.92 2qbc h GLN 19 N -0.33 -0.08 -0.78 1.25 4.15 -1.64 -2.67 115.11 115.02 2qbc h GLN 19 Ca -0.18 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.35 2qbc h GLN 19 Cb 1.70 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 29.33 2qbc h GLN 19 CO 0.14 0.13 0.40 1.49 -1.93 0.00 0.00 178.83 179.06 2qbc h GLU 20 N -0.27 0.62 0.00 1.69 4.22 -0.91 0.49 114.58 120.43 2qbc h GLU 20 Ca -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2qbc h GLU 20 Cb 0.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2qbc h GLU 20 CO 0.01 0.41 0.00 1.28 -2.18 0.00 0.00 179.01 178.54 2qbc n LEU 21 N -4.85 0.00 -3.13 1.64 4.77 -0.87 -4.93 117.00 109.64 2qbc n LEU 21 Ca 0.13 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2qbc n LEU 21 Cb 0.33 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2qbc n LEU 21 CO 0.24 -0.06 -0.32 0.61 -1.33 0.00 0.00 177.39 176.53 2qbc n GLY 22 N 0.11 -1.06 3.60 -0.72 0.00 0.17 -5.03 105.19 102.26 2qbc n GLY 22 Ca 0.11 0.71 -0.12 0.00 0.00 0.00 0.00 46.02 46.71 2qbc n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbc s ALA 23 N -1.59 -1.89 0.15 4.61 0.00 -1.23 -5.03 121.76 116.78 2qbc s ALA 23 Ca 0.17 1.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.56 2qbc s ALA 23 Cb -0.03 -0.94 -0.08 0.00 0.00 0.00 0.00 23.12 22.08 2qbc s ALA 23 CO 0.58 -0.30 1.29 -0.08 0.00 0.00 0.00 175.76 177.25 2qbc s THR 24 N -0.34 3.47 0.29 0.00 -1.32 -1.26 -4.42 115.64 112.06 2qbc s THR 24 Ca -0.01 1.14 0.10 0.00 -1.21 0.00 0.00 61.69 61.70 2qbc s THR 24 Cb -0.03 -3.73 -0.05 0.00 -1.51 0.00 0.00 72.50 67.19 2qbc s THR 24 CO 0.00 0.13 -0.03 0.00 -2.21 0.00 0.00 174.62 172.52 2qbc s ARG 25 N 0.43 2.13 -1.10 7.08 1.70 -1.19 -2.64 118.95 125.36 2qbc s ARG 25 Ca 0.58 -1.58 -0.03 0.00 -0.47 0.00 0.00 55.73 54.24 2qbc s ARG 25 Cb -0.34 -2.03 0.28 0.00 -0.57 0.00 0.00 34.95 32.29 2qbc s ARG 25 CO 0.34 0.28 1.79 -0.11 -1.08 0.00 0.00 175.30 176.53 2qbc n LEU 26 N -0.87 7.11 -4.36 -1.89 7.94 0.97 -2.60 117.00 123.29 2qbc n LEU 26 Ca -0.05 -5.22 -0.54 0.00 -1.11 0.00 0.00 56.01 49.09 2qbc n LEU 26 Cb 0.60 -1.25 -0.10 0.00 0.53 0.00 0.00 43.42 43.20 2qbc n LEU 26 CO 0.41 1.89 1.81 0.52 -1.11 0.00 0.00 177.39 180.91 2qbc n VAL 27 N 0.85 0.08 -4.00 1.96 0.31 -0.48 -3.96 118.33 113.09 2qbc n VAL 27 Ca 0.42 -0.14 -0.28 0.00 -0.01 0.00 0.00 64.34 64.32 2qbc n VAL 27 Cb 0.29 -1.07 -0.05 0.00 -0.91 0.00 0.00 33.84 32.10 2qbc n VAL 27 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbc s VAL 28 N 7.01 4.95 0.02 2.52 0.11 -1.05 -1.91 120.40 132.04 2qbc s VAL 28 Ca 1.16 -0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 59.48 2qbc s VAL 28 Cb -1.16 -3.47 -0.02 0.00 -1.53 0.00 0.00 36.38 30.21 2qbc s VAL 28 CO 0.56 0.02 -0.00 -2.28 -3.33 0.00 0.00 175.10 170.06 2qbc s HIS 29 N -1.60 0.20 -0.01 1.54 5.04 -1.19 -4.44 115.29 114.83 2qbc s HIS 29 Ca 0.32 -0.42 0.02 0.00 -1.54 0.00 0.00 55.06 53.45 2qbc s HIS 29 Cb -0.12 -0.15 -0.00 0.00 0.04 0.00 0.00 32.58 32.35 2qbc s HIS 29 CO 0.26 -0.18 -0.08 0.50 -2.34 0.00 0.00 174.74 172.89 2qbc s ARG 30 N -1.31 0.64 0.03 2.88 3.52 -1.26 -1.90 118.95 121.56 2qbc s ARG 30 Ca -0.14 -0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 55.17 2qbc s ARG 30 Cb -0.09 -0.62 -0.02 0.00 -1.56 0.00 0.00 34.95 32.66 2qbc s ARG 30 CO -0.01 0.16 -0.01 -0.08 -0.81 0.00 0.00 175.30 174.55 2qbc s THR 31 N -0.13 0.14 0.35 4.11 -1.32 -0.89 -5.02 115.64 112.88 2qbc s THR 31 Ca 0.02 -1.19 0.15 0.00 -1.21 0.00 0.00 61.69 59.46 2qbc s THR 31 Cb -0.04 -0.73 0.36 0.00 -1.51 0.00 0.00 72.50 70.59 2qbc s THR 31 CO -0.00 -0.66 1.59 -0.65 -2.21 0.00 0.00 174.62 172.70 2qbc h PRO 32 N 4.06 0.06 0.00 7.08 0.11 -1.99 -2.99 132.00 138.33 2qbc h PRO 32 Ca -0.33 -0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.50 2qbc h PRO 32 Cb 1.19 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2qbc h PRO 32 CO 0.50 0.04 -2.07 0.54 -0.21 0.00 0.00 178.00 176.79 2qbc n ARG 33 N -5.28 0.78 -3.60 1.05 3.00 -1.26 -4.95 116.66 106.40 2qbc n ARG 33 Ca 0.33 0.08 -0.22 0.00 -0.01 0.00 0.00 57.85 58.02 2qbc n ARG 33 Cb 1.09 -1.38 -0.02 0.00 0.00 0.00 0.00 32.46 32.15 2qbc n ARG 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2qbc n HIS 34 N -2.92 -0.18 -3.67 -1.55 8.25 -1.13 -3.27 115.22 110.74 2qbc n HIS 34 Ca -0.31 -1.88 -0.10 0.00 -0.26 0.00 0.00 57.72 55.17 2qbc n HIS 34 Cb 0.90 -0.32 -0.11 0.00 1.12 0.00 0.00 29.99 31.58 2qbc n HIS 34 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qbc s ILE 35 N -2.24 -0.46 0.48 1.59 -1.09 -1.26 -2.09 121.20 116.13 2qbc s ILE 35 Ca 0.16 0.19 0.07 0.00 -2.23 0.00 0.00 60.65 58.84 2qbc s ILE 35 Cb -0.01 -0.58 0.01 0.00 -1.58 0.00 0.00 42.46 40.30 2qbc s ILE 35 CO 0.10 0.08 0.42 -0.31 -1.23 0.00 0.00 174.94 174.00 2qbc s TYR 36 N 2.31 2.14 -0.30 3.97 4.12 -0.80 -1.93 117.35 126.86 2qbc s TYR 36 Ca -0.02 -0.66 -0.17 0.00 0.02 0.00 0.00 57.07 56.24 2qbc s TYR 36 Cb -0.11 -2.06 0.19 0.00 -1.52 0.00 0.00 41.96 38.46 2qbc s TYR 36 CO -0.11 -0.35 1.20 0.00 0.02 0.00 0.00 175.55 176.31 2qbc s ALA 37 N -2.62 -2.81 -0.09 3.71 0.00 -1.24 -3.20 121.76 115.51 2qbc s ALA 37 Ca 0.43 1.96 -0.14 0.00 0.00 0.00 0.00 51.96 54.22 2qbc s ALA 37 Cb -0.03 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 21.07 2qbc s ALA 37 CO 0.26 -0.59 0.35 1.14 0.00 0.00 0.00 175.76 176.91 2qbc s GLN 38 N 1.55 0.52 -0.51 0.00 -2.07 -0.80 -1.76 119.66 116.59 2qbc s GLN 38 Ca -0.05 0.24 -0.13 0.00 -1.82 0.00 0.00 55.36 53.60 2qbc s GLN 38 Cb -0.02 0.24 0.13 0.00 -1.09 0.00 0.00 33.01 32.26 2qbc s GLN 38 CO -0.13 -0.10 0.44 0.08 -1.32 0.00 0.00 175.29 174.25 2qbc s VAL 39 N -0.39 4.83 0.20 3.63 1.01 -0.38 -1.39 120.40 127.92 2qbc s VAL 39 Ca -0.05 -1.60 -0.16 0.00 0.00 0.00 0.00 61.98 60.17 2qbc s VAL 39 Cb -0.03 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 2qbc s VAL 39 CO 0.02 -0.83 0.63 -0.63 0.00 0.00 0.00 175.10 174.29 2qbc s ILE 40 N 1.51 4.74 1.05 2.22 1.01 -1.07 0.29 121.20 130.95 2qbc s ILE 40 Ca 0.04 0.97 -0.13 0.00 0.00 0.00 0.00 60.65 61.53 2qbc s ILE 40 Cb -0.28 -3.75 0.18 0.00 0.01 0.00 0.00 42.46 38.61 2qbc s ILE 40 CO 0.02 0.15 0.84 0.00 0.00 0.00 0.00 174.94 175.95 2qbc n ALA 41 N 0.56 -2.30 -0.14 9.38 0.00 0.16 -3.14 120.51 125.03 2qbc n ALA 41 Ca -0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 53.44 52.48 2qbc n ALA 41 Cb 0.52 -1.98 0.03 0.00 0.00 0.00 0.00 19.45 18.02 2qbc n ALA 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qbc h PRO 42 N -2.17 0.00 0.00 0.00 0.11 -1.88 0.31 132.00 128.38 2qbc h PRO 42 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qbc h PRO 42 Cb 1.31 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2qbc h PRO 42 CO 0.43 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.49 2qbc n ASN 43 N -5.33 0.00 -0.27 -2.05 0.23 -1.26 -4.65 115.26 101.92 2qbc n ASN 43 Ca 0.04 0.11 -0.03 0.00 -0.53 0.00 0.00 54.58 54.16 2qbc n ASN 43 Cb 0.25 -0.22 -0.01 0.00 -2.08 0.00 0.00 39.78 37.71 2qbc n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qbc n GLY 44 N -0.74 0.38 0.06 4.83 0.00 0.11 -4.84 105.19 104.99 2qbc n GLY 44 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2qbc n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbc n SER 45 N -0.93 1.46 -4.86 1.61 7.64 -1.26 -4.89 113.62 112.38 2qbc n SER 45 Ca -0.03 0.54 -0.34 0.00 1.01 0.00 0.00 58.87 60.04 2qbc n SER 45 Cb 0.48 -0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 62.84 2qbc n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2qbc s GLU 46 N -2.04 3.81 0.31 1.43 1.03 -1.26 -4.94 118.70 117.04 2qbc s GLU 46 Ca -0.13 0.25 0.02 0.00 0.03 0.00 0.00 54.97 55.14 2qbc s GLU 46 Cb 0.02 -2.92 -0.03 0.00 -0.80 0.00 0.00 34.13 30.39 2qbc s GLU 46 CO 0.19 0.50 0.48 0.08 -1.33 0.00 0.00 175.26 175.18 2qbc s VAL 47 N -1.49 5.16 -0.01 1.83 1.01 -1.26 0.39 120.40 126.02 2qbc s VAL 47 Ca 0.37 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 2qbc s VAL 47 Cb -0.14 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2qbc s VAL 47 CO 0.19 -0.47 -0.10 0.18 0.00 0.00 0.00 175.10 174.90 2qbc n LEU 48 N -1.62 0.97 -4.29 3.92 4.77 0.15 -4.78 117.00 116.13 2qbc n LEU 48 Ca -0.06 0.15 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 2qbc n LEU 48 Cb 0.56 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 2qbc n LEU 48 CO 0.47 -0.54 -0.34 0.68 -1.33 0.00 0.00 177.39 176.34 2qbc s VAL 49 N -1.92 0.90 0.20 4.08 -7.23 -1.21 -4.99 120.40 110.23 2qbc s VAL 49 Ca -0.08 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 57.97 2qbc s VAL 49 Cb 0.01 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 2qbc s VAL 49 CO 0.12 -0.43 0.35 0.00 -0.31 0.00 0.00 175.10 174.84 2qbc s ALA 50 N -3.51 -0.04 -0.32 1.32 0.00 -1.26 -1.25 121.76 116.70 2qbc s ALA 50 Ca 0.25 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 2qbc s ALA 50 Cb 0.05 0.98 0.19 0.00 0.00 0.00 0.00 23.12 24.34 2qbc s ALA 50 CO 0.06 -0.72 1.06 0.00 0.00 0.00 0.00 175.76 176.16 2qbc s ALA 51 N -3.99 -4.49 0.02 0.00 0.00 -0.72 -4.43 121.76 108.15 2qbc s ALA 51 Ca 0.20 1.33 0.09 0.00 0.00 0.00 0.00 51.96 53.57 2qbc s ALA 51 Cb 0.02 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 2qbc s ALA 51 CO 0.04 -2.47 -0.26 -1.54 0.00 0.00 0.00 175.76 171.53 2qbc s SER 52 N 2.06 3.07 0.66 0.00 1.04 -1.26 -3.70 113.70 115.57 2qbc s SER 52 Ca 0.16 -0.55 0.21 0.00 0.48 0.00 0.00 55.95 56.25 2qbc s SER 52 Cb 0.03 -0.30 1.13 0.00 0.10 0.00 0.00 66.02 66.98 2qbc s SER 52 CO -0.16 0.27 1.64 0.71 0.98 0.00 0.00 173.24 176.68 2qbc h THR 53 N 4.32 0.00 -0.68 2.02 1.35 -1.78 0.54 112.91 118.68 2qbc h THR 53 Ca -0.45 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.34 2qbc h THR 53 Cb 1.14 0.46 -0.03 0.00 -1.73 0.00 0.00 68.15 67.99 2qbc h THR 53 CO 0.45 0.00 0.16 1.62 -0.25 0.00 0.00 175.52 177.50 2qbc h VAL 54 N 0.00 1.26 -2.44 6.82 3.04 -1.95 -3.31 116.25 119.67 2qbc h VAL 54 Ca 0.00 -0.96 -0.53 0.00 -1.01 0.00 0.00 66.70 64.20 2qbc h VAL 54 Cb 1.08 0.58 0.03 0.00 -2.01 0.00 0.00 31.29 30.97 2qbc h VAL 54 CO -0.00 0.37 1.18 -1.61 -1.01 0.00 0.00 177.57 176.50 2qbc s GLU 55 N -5.30 4.14 0.16 4.17 2.02 0.18 -4.80 118.70 119.26 2qbc s GLU 55 Ca -0.12 2.62 -0.27 0.00 0.02 0.00 0.00 54.97 57.22 2qbc s GLU 55 Cb 0.14 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.48 2qbc s GLU 55 CO 0.84 -0.91 1.57 -0.22 0.02 0.00 0.00 175.26 176.56 2qbc h LYS 56 N 9.66 -0.28 -0.70 1.61 3.64 -1.88 -0.70 116.57 127.93 2qbc h LYS 56 Ca -0.48 0.02 0.27 0.00 -1.27 0.00 0.00 60.65 59.19 2qbc h LYS 56 Cb 1.23 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 33.01 2qbc h LYS 56 CO 0.94 -0.19 0.41 0.00 -2.27 0.00 0.00 179.45 178.34 2qbc n ALA 57 N -3.10 0.70 -0.10 5.00 0.00 -1.26 0.42 120.51 122.18 2qbc n ALA 57 Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 53.44 53.79 2qbc n ALA 57 Cb 0.35 -0.63 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 2qbc n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qbc n ILE 58 N -4.20 1.58 0.30 0.00 5.41 -0.58 -4.29 119.36 117.59 2qbc n ILE 58 Ca 0.24 -0.37 0.17 0.00 1.00 0.00 0.00 62.75 63.79 2qbc n ILE 58 Cb 0.85 -1.81 0.87 0.00 -0.71 0.00 0.00 39.64 38.84 2qbc n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbc h ALA 59 N -0.44 1.39 -0.61 -1.39 0.00 0.14 -2.21 119.26 116.14 2qbc h ALA 59 Ca -0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qbc h ALA 59 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2qbc h ALA 59 CO -0.19 -0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.13 2qbc n GLU 60 N -3.06 0.00 0.21 0.00 -0.58 0.65 -3.49 120.64 114.37 2qbc n GLU 60 Ca -0.01 0.40 0.14 0.00 -0.42 0.00 0.00 57.16 57.27 2qbc n GLU 60 Cb 0.35 -1.20 0.76 0.00 -0.57 0.00 0.00 31.44 30.78 2qbc n GLU 60 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2qbc h GLN 61 N 0.00 0.00 -6.33 3.49 1.08 -1.76 -3.42 115.11 108.17 2qbc h GLN 61 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 2qbc h GLN 61 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2qbc h GLN 61 CO 0.00 0.00 0.78 -0.51 -0.95 0.00 0.00 178.83 178.15 2qbc s LEU 62 N -4.99 4.29 0.02 1.46 2.01 -0.84 -4.96 118.68 115.68 2qbc s LEU 62 Ca -0.03 1.95 -0.14 0.00 0.01 0.00 0.00 54.13 55.92 2qbc s LEU 62 Cb 0.08 -3.56 -0.08 0.00 0.01 0.00 0.00 46.19 42.65 2qbc s LEU 62 CO 0.27 -0.67 1.22 0.50 1.01 0.00 0.00 176.35 178.68 2qbc h LYS 63 N 7.73 -0.49 -3.38 1.70 3.64 -1.86 -3.44 116.57 120.47 2qbc h LYS 63 Ca -0.35 0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 58.73 2qbc h LYS 63 Cb 1.16 0.11 -0.36 0.00 -0.41 0.00 0.00 32.23 32.73 2qbc h LYS 63 CO 0.90 -0.32 -0.72 -0.47 -2.27 0.00 0.00 179.45 176.57 2qbc s TYR 64 N -4.13 0.01 0.27 1.91 5.04 -1.26 -5.12 117.35 114.07 2qbc s TYR 64 Ca -0.08 0.25 -0.31 0.00 -2.44 0.00 0.00 57.07 54.50 2qbc s TYR 64 Cb 0.01 -0.34 -0.13 0.00 0.35 0.00 0.00 41.96 41.85 2qbc s TYR 64 CO 0.23 -0.15 1.49 0.25 -1.34 0.00 0.00 175.55 176.03 2qbc n THR 65 N 4.77 1.01 -2.85 4.34 -2.24 -1.26 -2.75 114.28 115.30 2qbc n THR 65 Ca -0.15 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 2qbc n THR 65 Cb 0.50 -1.70 0.05 0.00 -2.10 0.00 0.00 70.33 67.08 2qbc n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbc n GLY 66 N 2.13 -0.09 2.55 3.38 0.00 -1.20 -4.48 105.19 107.47 2qbc n GLY 66 Ca 0.10 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2qbc n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbc n ASN 67 N -2.34 3.92 0.00 1.61 4.05 -1.11 -4.82 115.26 116.57 2qbc n ASN 67 Ca -0.16 -3.49 0.00 0.00 0.45 0.00 0.00 54.58 51.38 2qbc n ASN 67 Cb 0.60 -0.49 0.00 0.00 1.23 0.00 0.00 39.78 41.13 2qbc n ASN 67 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2qbc n LYS 68 N -0.36 0.00 -0.05 1.20 5.02 -1.26 -1.84 118.16 120.87 2qbc n LYS 68 Ca 0.32 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.76 2qbc n LYS 68 Cb 0.67 0.00 0.58 0.00 -0.02 0.00 0.00 35.03 36.26 2qbc n LYS 68 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2qbc h ASP 69 N 0.00 0.21 -0.03 4.39 2.03 -1.95 0.30 116.42 121.37 2qbc h ASP 69 Ca 0.00 0.01 -0.18 0.00 -0.73 0.00 0.00 57.03 56.13 2qbc h ASP 69 Cb 0.00 -0.04 0.01 0.00 -0.83 0.00 0.00 39.33 38.48 2qbc h ASP 69 CO 0.00 0.12 -0.67 0.00 -1.03 0.00 0.00 179.24 177.66 2qbc h ALA 70 N 1.72 0.12 -0.06 4.15 0.00 -1.63 -3.14 119.26 120.41 2qbc h ALA 70 Ca 0.27 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2qbc h ALA 70 Cb 0.76 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2qbc h ALA 70 CO -0.05 0.43 -0.07 0.00 0.00 0.00 0.00 179.25 179.56 2qbc n ALA 71 N -2.59 4.96 0.00 0.00 0.00 0.98 -3.27 120.51 120.58 2qbc n ALA 71 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2qbc n ALA 71 Cb 0.70 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2qbc n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc n ALA 72 N 1.69 3.00 -0.31 0.00 0.00 -0.81 -3.71 120.51 120.37 2qbc n ALA 72 Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.80 2qbc n ALA 72 Cb 0.64 0.01 0.44 0.00 0.00 0.00 0.00 19.45 20.54 2qbc n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc h ALA 73 N 0.00 2.02 -0.50 0.00 0.00 -1.54 0.71 119.26 119.96 2qbc h ALA 73 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2qbc h ALA 73 Cb 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2qbc h ALA 73 CO 0.00 -0.38 0.19 -0.39 0.00 0.00 0.00 179.25 178.68 2qbc h VAL 74 N 0.53 0.85 -0.12 0.00 -1.51 -1.85 0.69 116.25 114.85 2qbc h VAL 74 Ca 0.55 -0.13 -0.03 0.00 -1.23 0.00 0.00 66.70 65.86 2qbc h VAL 74 Cb 1.18 0.44 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2qbc h VAL 74 CO -0.29 0.07 -0.05 1.23 -1.23 0.00 0.00 177.57 177.31 2qbc h GLY 75 N 0.38 0.26 2.00 5.19 0.00 0.06 -1.32 103.07 109.64 2qbc h GLY 75 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2qbc h GLY 75 CO -0.23 0.21 0.00 1.17 0.00 0.00 0.00 176.54 177.69 2qbc n LYS 76 N -4.71 0.16 -0.06 4.80 4.81 0.40 -1.62 118.16 121.94 2qbc n LYS 76 Ca -0.06 0.53 -0.04 0.00 -0.87 0.00 0.00 58.31 57.87 2qbc n LYS 76 Cb 0.27 -1.91 -0.04 0.00 0.02 0.00 0.00 35.03 33.37 2qbc n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbc h ALA 77 N 2.13 0.01 -0.69 3.14 0.00 0.96 -3.25 119.26 121.56 2qbc h ALA 77 Ca 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.87 2qbc h ALA 77 Cb 0.17 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2qbc h ALA 77 CO 0.00 0.04 0.46 -0.39 0.00 0.00 0.00 179.25 179.36 2qbc h VAL 78 N -1.00 0.79 0.00 0.00 -1.51 -0.91 0.97 116.25 114.60 2qbc h VAL 78 Ca -0.01 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2qbc h VAL 78 Cb 0.32 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 2qbc h VAL 78 CO -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 176.39 2qbc n ALA 79 N -2.55 -0.06 0.14 5.19 0.00 -0.64 0.11 120.51 122.71 2qbc n ALA 79 Ca 0.13 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.76 2qbc n ALA 79 Cb 0.53 0.10 0.76 0.00 0.00 0.00 0.00 19.45 20.84 2qbc n ALA 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qbc h GLU 80 N 0.00 0.00 -0.43 0.00 4.11 -1.55 0.80 114.58 117.51 2qbc h GLU 80 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 2qbc h GLU 80 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2qbc h GLU 80 CO 0.00 0.00 -0.26 -0.09 0.07 0.00 0.00 179.01 178.73 2qbc h ARG 81 N 0.00 0.90 0.00 1.06 9.65 -0.17 -0.70 114.38 125.13 2qbc h ARG 81 Ca 0.15 -0.40 -0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2qbc h ARG 81 Cb 0.97 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 2qbc h ARG 81 CO -0.00 1.05 -0.00 0.00 2.80 0.00 0.00 179.97 183.82 2qbc h ALA 82 N 0.93 -0.01 -0.15 2.80 0.00 0.72 -3.18 119.26 120.37 2qbc h ALA 82 Ca 0.09 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2qbc h ALA 82 Cb 0.82 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2qbc h ALA 82 CO 0.07 -0.03 0.33 -0.07 0.00 0.00 0.00 179.25 179.55 2qbc h LEU 83 N -0.95 0.00 0.85 0.00 4.07 -0.30 0.20 115.31 119.18 2qbc h LEU 83 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 2qbc h LEU 83 Cb 0.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 2qbc h LEU 83 CO 0.00 0.00 -0.47 -0.08 -1.08 0.00 0.00 178.44 176.81 2qbc h GLU 84 N 0.00 -1.17 0.00 1.13 4.57 -1.09 0.82 114.58 118.83 2qbc h GLU 84 Ca 0.07 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2qbc h GLU 84 Cb 0.73 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2qbc h GLU 84 CO -0.00 -0.78 0.00 1.63 -1.18 0.00 0.00 179.01 178.68 2qbc n LYS 85 N -5.45 0.12 -0.70 1.92 4.76 0.29 -4.78 118.16 114.33 2qbc n LYS 85 Ca -0.15 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2qbc n LYS 85 Cb 0.49 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 2qbc n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbc n GLY 86 N -0.51 0.58 3.70 0.72 0.00 0.28 -5.04 105.19 104.92 2qbc n GLY 86 Ca 0.04 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 2qbc n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbc s ILE 87 N -2.00 4.99 0.29 -0.61 -1.09 0.42 -4.88 121.20 118.32 2qbc s ILE 87 Ca 0.00 1.53 -0.10 0.00 -2.23 0.00 0.00 60.65 59.85 2qbc s ILE 87 Cb 0.00 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 2qbc s ILE 87 CO 0.00 0.17 0.50 -0.75 -1.23 0.00 0.00 174.94 173.64 2qbc s LYS 88 N 1.25 1.73 -0.33 2.79 2.20 -1.26 -3.01 119.74 123.12 2qbc s LYS 88 Ca 0.38 -1.44 -0.05 0.00 -0.36 0.00 0.00 55.97 54.50 2qbc s LYS 88 Cb -0.18 0.47 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2qbc s LYS 88 CO 0.17 -0.73 0.18 -0.25 -0.36 0.00 0.00 175.35 174.36 2qbc n ASP 89 N -0.82 -7.88 -3.96 1.43 10.43 -1.19 -4.90 116.55 109.67 2qbc n ASP 89 Ca -0.01 1.10 -0.16 0.00 2.57 0.00 0.00 54.79 58.28 2qbc n ASP 89 Cb 0.62 -5.04 -0.09 0.00 1.84 0.00 0.00 41.12 38.45 2qbc n ASP 89 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2qbc s VAL 90 N -1.85 0.17 -0.10 2.53 -7.23 -0.75 -4.88 120.40 108.28 2qbc s VAL 90 Ca 0.08 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 2qbc s VAL 90 Cb -0.02 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 2qbc s VAL 90 CO 0.74 0.00 -0.01 -0.44 -0.31 0.00 0.00 175.10 175.08 2qbc s SER 91 N -3.30 5.15 -0.26 4.85 0.01 -1.08 -4.52 113.70 114.55 2qbc s SER 91 Ca 0.38 0.10 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 2qbc s SER 91 Cb 0.05 -1.50 -0.03 0.00 0.21 0.00 0.00 66.02 64.75 2qbc s SER 91 CO 0.17 0.34 0.51 0.12 0.41 0.00 0.00 173.24 174.80 2qbc s PHE 92 N -0.68 3.27 -0.81 2.43 5.36 -1.26 -0.02 117.98 126.27 2qbc s PHE 92 Ca 0.11 0.63 -0.10 0.00 -0.96 0.00 0.00 56.93 56.61 2qbc s PHE 92 Cb -0.12 -2.72 0.21 0.00 -0.34 0.00 0.00 43.02 40.06 2qbc s PHE 92 CO 0.02 -0.28 0.71 0.34 -1.46 0.00 0.00 175.22 174.56 2qbc s ASP 93 N 1.54 6.38 0.00 6.13 3.68 -1.25 -4.88 116.67 128.26 2qbc s ASP 93 Ca 0.21 -2.87 0.00 0.00 2.13 0.00 0.00 52.55 52.02 2qbc s ASP 93 Cb -0.16 -2.10 0.00 0.00 -1.45 0.00 0.00 42.92 39.21 2qbc s ASP 93 CO 0.09 -0.47 0.58 -2.11 0.13 0.00 0.00 175.17 173.38 2qbc n ARG 94 N 3.64 0.00 -4.09 4.34 1.85 -1.26 -2.54 116.66 118.60 2qbc n ARG 94 Ca 0.14 0.08 -0.34 0.00 -1.00 0.00 0.00 57.85 56.72 2qbc n ARG 94 Cb 0.43 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.31 2qbc n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qbc n SER 95 N -1.08 -1.45 0.00 2.89 7.64 -1.26 -0.08 113.62 120.28 2qbc n SER 95 Ca 0.00 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.69 2qbc n SER 95 Cb 0.00 -2.18 0.00 0.00 -1.01 0.00 0.00 64.21 61.02 2qbc n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbc n GLY 96 N -2.20 1.37 3.68 0.23 0.00 -1.26 -4.76 105.19 102.25 2qbc n GLY 96 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2qbc n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbc s PHE 97 N -2.98 3.46 -0.65 1.61 0.08 0.89 -4.86 117.98 115.53 2qbc s PHE 97 Ca 0.00 1.16 -0.27 0.00 0.12 0.00 0.00 56.93 57.94 2qbc s PHE 97 Cb 0.00 -2.88 -0.12 0.00 -0.57 0.00 0.00 43.02 39.45 2qbc s PHE 97 CO 0.00 -0.11 2.49 0.94 -0.10 0.00 0.00 175.22 178.44 2qbc n GLN 98 N 4.69 0.73 -1.55 0.44 0.00 -1.26 -4.81 117.38 115.62 2qbc n GLN 98 Ca 0.01 -0.04 -0.27 0.00 -0.00 0.00 0.00 57.00 56.70 2qbc n GLN 98 Cb 0.50 -2.91 -0.07 0.00 0.00 0.00 0.00 30.24 27.76 2qbc n GLN 98 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qbc n TYR 99 N 14.49 1.19 0.00 3.69 4.19 -1.26 -3.86 117.16 135.60 2qbc n TYR 99 Ca 0.46 0.08 0.00 0.00 3.31 0.00 0.00 57.90 61.75 2qbc n TYR 99 Cb 0.40 -2.50 0.00 0.00 0.49 0.00 0.00 39.34 37.73 2qbc n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2qbc n HIS 100 N 16.08 -0.43 0.00 2.98 -0.00 -1.26 -4.84 115.22 127.75 2qbc n HIS 100 Ca 0.45 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.63 2qbc n HIS 100 Cb 0.44 0.09 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2qbc n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qbc n GLY 101 N -1.14 0.92 0.28 1.57 0.00 -1.25 -4.40 105.19 101.17 2qbc n GLY 101 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2qbc n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbc h ARG 102 N 0.00 0.75 -0.21 1.61 3.08 -1.90 -2.01 114.38 115.70 2qbc h ARG 102 Ca 0.00 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 2qbc h ARG 102 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2qbc h ARG 102 CO 0.00 0.80 -0.07 0.28 -1.07 0.00 0.00 179.97 179.91 2qbc h VAL 103 N 0.69 1.17 -0.20 2.04 2.07 -1.88 -1.24 116.25 118.90 2qbc h VAL 103 Ca 0.13 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2qbc h VAL 103 Cb 0.51 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qbc h VAL 103 CO 0.03 0.23 0.04 -0.61 0.02 0.00 0.00 177.57 177.28 2qbc h GLN 104 N 0.31 0.12 -7.49 1.57 -0.00 -1.58 -3.26 115.11 104.78 2qbc h GLN 104 Ca 0.07 -0.01 -0.44 0.00 -0.00 0.00 0.00 58.65 58.27 2qbc h GLN 104 Cb 0.32 -0.03 0.16 0.00 0.00 0.00 0.00 27.48 27.94 2qbc h GLN 104 CO 0.01 0.08 0.24 0.00 0.00 0.00 0.00 178.83 179.16 2qbc s ALA 105 N -6.18 1.27 0.00 3.38 0.00 -0.47 -2.34 121.76 117.42 2qbc s ALA 105 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2qbc s ALA 105 Cb 0.10 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2qbc s ALA 105 CO 0.69 -2.88 0.00 1.47 0.00 0.00 0.00 175.76 175.03 2qbc n LEU 106 N -4.20 0.00 0.00 0.00 -0.00 -1.24 -4.47 117.00 107.08 2qbc n LEU 106 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 2qbc n LEU 106 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2qbc n LEU 106 CO 0.51 0.00 0.08 0.00 -0.00 0.00 0.00 177.39 177.98 2qbc n ALA 107 N 0.00 -0.02 0.10 1.47 0.00 -1.20 -0.48 120.51 120.38 2qbc n ALA 107 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 2qbc n ALA 107 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.21 2qbc n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qbc h ASP 108 N 0.00 0.00 0.00 0.00 -0.00 -1.69 0.45 116.42 115.18 2qbc h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2qbc h ASP 108 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2qbc h ASP 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 2qbc n ALA 109 N -2.37 -0.28 -0.29 4.15 0.00 -1.24 0.93 120.51 121.42 2qbc n ALA 109 Ca 0.07 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.78 2qbc n ALA 109 Cb 0.57 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.64 2qbc n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc h ALA 110 N -2.00 2.61 0.70 0.00 0.00 -0.18 0.93 119.26 121.32 2qbc h ALA 110 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2qbc h ALA 110 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qbc h ALA 110 CO 0.00 -0.96 -0.34 -0.09 0.00 0.00 0.00 179.25 177.86 2qbc h ARG 111 N 0.20 -0.91 0.00 0.00 2.43 0.00 -1.61 114.38 114.50 2qbc h ARG 111 Ca 0.54 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 2qbc h ARG 111 Cb 1.74 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 2qbc h ARG 111 CO -0.15 -0.61 0.00 -1.91 -1.51 0.00 0.00 179.97 175.80 2qbc n GLU 112 N -4.70 0.02 -0.84 0.20 0.00 0.26 -1.85 120.64 113.73 2qbc n GLU 112 Ca -0.12 0.35 -0.10 0.00 0.00 0.00 0.00 57.16 57.29 2qbc n GLU 112 Cb 0.37 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.50 2qbc n GLU 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbc n ALA 113 N -1.45 4.41 0.00 4.31 0.00 0.30 -4.89 120.51 123.19 2qbc n ALA 113 Ca 0.02 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.53 2qbc n ALA 113 Cb 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2qbc n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbc n GLY 114 N -0.34 3.17 3.41 0.00 0.00 -0.77 -4.61 105.19 106.05 2qbc n GLY 114 Ca 0.37 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 2qbc n GLY 114 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbc n LEU 115 N 0.00 -0.89 -4.25 0.99 -0.00 -0.75 -4.93 117.00 107.18 2qbc n LEU 115 Ca 0.00 0.93 -0.40 0.00 -0.00 0.00 0.00 56.01 56.54 2qbc n LEU 115 Cb 0.00 -1.04 -0.10 0.00 -0.00 0.00 0.00 43.42 42.29 2qbc n LEU 115 CO 0.00 -3.18 -0.08 -1.58 -0.00 0.00 0.00 177.39 172.54 2qbc s GLN 116 N -1.34 2.55 0.00 1.96 2.00 -1.26 -4.57 119.66 118.99 2qbc s GLN 116 Ca 0.62 -1.56 0.00 0.00 -2.00 0.00 0.00 55.36 52.42 2qbc s GLN 116 Cb -0.66 -3.81 0.00 0.00 0.80 0.00 0.00 33.01 29.33 2qbc s GLN 116 CO 0.59 -1.03 0.00 1.97 -0.50 0.00 0.00 175.29 176.33