#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba h LYS 3 N 0.00 0.00 0.03 -0.67 -0.00 -2.07 0.42 116.57 114.29 2qba h LYS 3 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2qba h LYS 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2qba h LYS 3 CO 0.00 0.00 -0.01 -0.22 -0.00 0.00 0.00 179.45 179.22 2qba h LYS 4 N 0.00 -0.04 -0.93 0.07 3.64 -2.06 -3.25 116.57 114.00 2qba h LYS 4 Ca 0.59 0.00 0.27 0.00 -1.27 0.00 0.00 60.65 60.24 2qba h LYS 4 Cb 2.68 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 34.47 2qba h LYS 4 CO -0.01 0.29 0.73 0.77 -2.27 0.00 0.00 179.45 178.96 2qba h SER 5 N -1.00 0.00 0.00 4.20 0.02 -1.42 -2.70 113.55 112.65 2qba h SER 5 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qba h SER 5 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2qba h SER 5 CO 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2qba n ALA 6 N -2.64 -0.24 -0.32 3.77 0.00 -0.54 -3.37 120.51 117.17 2qba n ALA 6 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2qba n ALA 6 Cb 1.05 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.55 2qba n ALA 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qba n ARG 7 N -1.52 -0.18 0.00 0.00 0.63 -1.04 -1.83 116.66 112.73 2qba n ARG 7 Ca 0.00 1.31 0.00 0.00 -0.92 0.00 0.00 57.85 58.24 2qba n ARG 7 Cb 0.00 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 30.96 2qba n ARG 7 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2qba n ILE 8 N -5.28 0.00 -0.35 5.15 5.41 -1.08 -1.34 119.36 121.87 2qba n ILE 8 Ca 0.10 1.49 0.10 0.00 1.00 0.00 0.00 62.75 65.43 2qba n ILE 8 Cb 0.36 -2.00 0.28 0.00 -0.71 0.00 0.00 39.64 37.56 2qba n ILE 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2qba h ARG 9 N 0.00 0.87 -0.62 0.38 -0.00 -1.37 0.13 114.38 113.76 2qba h ARG 9 Ca 0.00 -0.05 0.15 0.00 -0.00 0.00 0.00 59.98 60.08 2qba h ARG 9 Cb 0.00 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.97 29.74 2qba h ARG 9 CO 0.00 0.57 0.43 0.00 -0.00 0.00 0.00 179.97 180.98 2qba h ARG 10 N 0.89 0.16 0.00 0.08 3.08 -0.73 -1.09 114.38 116.77 2qba h ARG 10 Ca 0.53 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.45 2qba h ARG 10 Cb 0.66 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2qba h ARG 10 CO -0.30 0.10 -1.80 0.00 -1.07 0.00 0.00 179.97 176.90 2qba n ALA 11 N -2.60 2.28 0.11 0.04 0.00 0.20 -4.18 120.51 116.36 2qba n ALA 11 Ca 0.12 -0.66 0.19 0.00 0.00 0.00 0.00 53.44 53.09 2qba n ALA 11 Cb 0.58 -0.73 0.68 0.00 0.00 0.00 0.00 19.45 19.98 2qba n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qba h THR 12 N 0.00 0.21 0.00 0.00 2.02 0.47 0.20 112.91 115.81 2qba h THR 12 Ca -0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2qba h THR 12 Cb 1.41 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2qba h THR 12 CO 0.02 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.77 2qba n ARG 13 N -3.39 0.00 -0.12 6.66 3.00 -1.23 -3.31 116.66 118.27 2qba n ARG 13 Ca 0.07 0.00 0.20 0.00 -0.00 0.00 0.00 57.85 58.12 2qba n ARG 13 Cb 0.72 -0.79 0.61 0.00 0.00 0.00 0.00 32.46 33.00 2qba n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qba h ALA 14 N -2.00 2.40 0.00 5.13 0.00 -1.76 0.32 119.26 123.35 2qba h ALA 14 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qba h ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qba h ALA 14 CO 0.00 -0.61 0.00 0.54 0.00 0.00 0.00 179.25 179.18 2qba n ARG 15 N -4.41 0.45 -0.02 0.00 1.74 0.66 -0.64 116.66 114.44 2qba n ARG 15 Ca 0.14 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.19 2qba n ARG 15 Cb 0.66 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.78 2qba n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qba n ARG 16 N -0.80 1.47 0.21 5.56 3.00 0.11 -4.07 116.66 122.15 2qba n ARG 16 Ca 0.06 0.02 0.14 0.00 -0.00 0.00 0.00 57.85 58.07 2qba n ARG 16 Cb 0.03 -1.11 0.48 0.00 0.00 0.00 0.00 32.46 31.86 2qba n ARG 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2qba h LYS 17 N 0.00 0.00 0.14 -0.14 3.11 -1.08 0.63 116.57 119.23 2qba h LYS 17 Ca -0.12 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.50 2qba h LYS 17 Cb 1.22 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.46 2qba h LYS 17 CO -0.01 0.00 -1.05 1.25 -2.81 0.00 0.00 179.45 176.83 2qba h LEU 18 N 0.00 0.46 0.10 5.20 5.85 -1.10 -2.40 115.31 123.41 2qba h LEU 18 Ca 0.00 -0.92 -0.00 0.00 0.84 0.00 0.00 57.88 57.80 2qba h LEU 18 Cb 0.64 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2qba h LEU 18 CO 0.00 1.48 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.93 2qba h GLN 19 N -0.33 -0.12 -0.72 1.25 4.15 -1.65 -2.63 115.11 115.06 2qba h GLN 19 Ca -0.20 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.33 2qba h GLN 19 Cb 1.71 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 29.35 2qba h GLN 19 CO 0.13 0.06 0.34 1.49 -1.93 0.00 0.00 178.83 178.91 2qba h GLU 20 N -0.29 0.54 0.00 1.69 4.22 -0.99 0.48 114.58 120.22 2qba h GLU 20 Ca -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2qba h GLU 20 Cb 0.24 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2qba h GLU 20 CO 0.02 0.36 0.00 1.28 -2.18 0.00 0.00 179.01 178.49 2qba n LEU 21 N -4.90 0.00 -3.13 1.64 4.77 -0.90 -4.92 117.00 109.55 2qba n LEU 21 Ca 0.12 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2qba n LEU 21 Cb 0.31 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2qba n LEU 21 CO 0.23 -0.07 -0.31 0.61 -1.33 0.00 0.00 177.39 176.51 2qba n GLY 22 N -0.00 -1.05 3.60 -0.72 0.00 0.17 -5.03 105.19 102.15 2qba n GLY 22 Ca 0.10 0.73 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 2qba n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba s ALA 23 N -1.61 -1.88 0.14 4.61 0.00 -1.23 -5.03 121.76 116.76 2qba s ALA 23 Ca 0.18 1.75 -0.31 0.00 0.00 0.00 0.00 51.96 53.58 2qba s ALA 23 Cb -0.03 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 22.06 2qba s ALA 23 CO 0.59 -0.30 1.30 -0.08 0.00 0.00 0.00 175.76 177.27 2qba s THR 24 N -0.30 3.47 0.31 0.00 -1.32 -1.26 -4.43 115.64 112.11 2qba s THR 24 Ca -0.01 1.12 0.09 0.00 -1.21 0.00 0.00 61.69 61.68 2qba s THR 24 Cb -0.03 -3.72 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 2qba s THR 24 CO 0.00 0.12 0.01 0.00 -2.21 0.00 0.00 174.62 172.55 2qba s ARG 25 N 0.56 2.18 -1.08 7.08 1.70 -1.19 -2.63 118.95 125.58 2qba s ARG 25 Ca 0.59 -1.59 -0.03 0.00 -0.47 0.00 0.00 55.73 54.23 2qba s ARG 25 Cb -0.35 -2.05 0.30 0.00 -0.57 0.00 0.00 34.95 32.28 2qba s ARG 25 CO 0.33 0.23 1.71 -0.11 -1.08 0.00 0.00 175.30 176.38 2qba n LEU 26 N -0.94 6.95 -4.39 -1.89 7.94 0.13 -2.62 117.00 122.18 2qba n LEU 26 Ca -0.05 -5.24 -0.52 0.00 -1.11 0.00 0.00 56.01 49.09 2qba n LEU 26 Cb 0.61 -1.24 -0.10 0.00 0.53 0.00 0.00 43.42 43.22 2qba n LEU 26 CO 0.42 1.86 1.84 0.52 -1.11 0.00 0.00 177.39 180.91 2qba n VAL 27 N 0.84 0.08 -3.98 1.96 0.31 -0.49 -3.89 118.33 113.17 2qba n VAL 27 Ca 0.38 -0.17 -0.30 0.00 -0.01 0.00 0.00 64.34 64.24 2qba n VAL 27 Cb 0.30 -1.17 -0.05 0.00 -0.91 0.00 0.00 33.84 32.01 2qba n VAL 27 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qba s VAL 28 N 7.31 5.04 0.02 2.52 0.11 -1.04 -1.94 120.40 132.42 2qba s VAL 28 Ca 1.16 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 2qba s VAL 28 Cb -1.10 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 30.27 2qba s VAL 28 CO 0.54 0.11 -0.04 -2.28 -3.33 0.00 0.00 175.10 170.10 2qba s HIS 29 N -1.50 0.31 -0.01 1.54 5.04 -1.15 -4.43 115.29 115.10 2qba s HIS 29 Ca 0.33 -0.44 0.02 0.00 -1.54 0.00 0.00 55.06 53.43 2qba s HIS 29 Cb -0.12 -0.21 -0.01 0.00 0.04 0.00 0.00 32.58 32.28 2qba s HIS 29 CO 0.26 -0.14 -0.08 0.50 -2.34 0.00 0.00 174.74 172.94 2qba s ARG 30 N -1.26 0.67 0.03 2.88 3.52 -1.26 -1.77 118.95 121.77 2qba s ARG 30 Ca -0.12 -0.29 -0.02 0.00 -0.13 0.00 0.00 55.73 55.17 2qba s ARG 30 Cb -0.08 -0.65 -0.02 0.00 -1.56 0.00 0.00 34.95 32.63 2qba s ARG 30 CO -0.01 0.17 0.01 -0.08 -0.81 0.00 0.00 175.30 174.58 2qba s THR 31 N -0.17 0.14 0.35 4.11 -1.32 -0.84 -5.02 115.64 112.89 2qba s THR 31 Ca 0.03 -1.16 0.14 0.00 -1.21 0.00 0.00 61.69 59.49 2qba s THR 31 Cb -0.03 -0.72 0.36 0.00 -1.51 0.00 0.00 72.50 70.60 2qba s THR 31 CO -0.00 -0.64 1.59 -0.65 -2.21 0.00 0.00 174.62 172.71 2qba h PRO 32 N 4.04 0.06 0.00 7.08 0.11 -1.99 -2.97 132.00 138.33 2qba h PRO 32 Ca -0.33 -0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.50 2qba h PRO 32 Cb 1.19 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2qba h PRO 32 CO 0.49 0.04 -2.08 0.54 -0.21 0.00 0.00 178.00 176.78 2qba n ARG 33 N -5.29 0.88 -3.96 1.05 3.00 -1.26 -4.95 116.66 106.13 2qba n ARG 33 Ca 0.32 0.07 -0.26 0.00 -0.01 0.00 0.00 57.85 57.97 2qba n ARG 33 Cb 1.07 -1.39 -0.03 0.00 0.00 0.00 0.00 32.46 32.12 2qba n ARG 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2qba n HIS 34 N -2.87 0.15 -3.68 -1.55 8.25 -1.12 -3.34 115.22 111.05 2qba n HIS 34 Ca -0.31 -2.15 -0.12 0.00 -0.26 0.00 0.00 57.72 54.89 2qba n HIS 34 Cb 0.91 -0.35 -0.12 0.00 1.12 0.00 0.00 29.99 31.55 2qba n HIS 34 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qba s ILE 35 N -2.52 -0.35 0.43 1.59 -1.09 -1.26 -1.99 121.20 116.01 2qba s ILE 35 Ca 0.14 0.20 0.07 0.00 -2.23 0.00 0.00 60.65 58.84 2qba s ILE 35 Cb -0.01 -0.51 -0.03 0.00 -1.58 0.00 0.00 42.46 40.33 2qba s ILE 35 CO 0.09 0.08 0.30 -0.31 -1.23 0.00 0.00 174.94 173.88 2qba s TYR 36 N 2.10 2.54 -0.30 3.97 4.12 -0.73 -1.89 117.35 127.16 2qba s TYR 36 Ca -0.03 -0.57 -0.16 0.00 0.02 0.00 0.00 57.07 56.32 2qba s TYR 36 Cb -0.11 -2.06 0.17 0.00 -1.52 0.00 0.00 41.96 38.44 2qba s TYR 36 CO -0.10 -0.04 1.10 0.00 0.02 0.00 0.00 175.55 176.52 2qba s ALA 37 N -2.56 -2.63 -0.10 3.71 0.00 -1.24 -2.95 121.76 115.98 2qba s ALA 37 Ca 0.44 2.05 -0.14 0.00 0.00 0.00 0.00 51.96 54.31 2qba s ALA 37 Cb -0.00 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.20 2qba s ALA 37 CO 0.25 -0.58 0.36 1.14 0.00 0.00 0.00 175.76 176.93 2qba s GLN 38 N 1.64 0.50 -0.52 0.00 -2.07 -0.82 -1.73 119.66 116.67 2qba s GLN 38 Ca -0.06 0.32 -0.14 0.00 -1.82 0.00 0.00 55.36 53.66 2qba s GLN 38 Cb -0.03 0.24 0.12 0.00 -1.09 0.00 0.00 33.01 32.24 2qba s GLN 38 CO -0.14 -0.09 0.45 0.08 -1.32 0.00 0.00 175.29 174.26 2qba s VAL 39 N -0.24 4.95 0.22 3.63 1.01 -0.33 -1.39 120.40 128.24 2qba s VAL 39 Ca -0.04 -1.53 -0.15 0.00 0.00 0.00 0.00 61.98 60.26 2qba s VAL 39 Cb -0.03 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 2qba s VAL 39 CO 0.02 -0.81 0.63 -0.63 0.00 0.00 0.00 175.10 174.31 2qba s ILE 40 N 1.54 4.76 1.04 2.22 1.01 -1.08 0.35 121.20 131.04 2qba s ILE 40 Ca 0.04 0.92 -0.12 0.00 0.00 0.00 0.00 60.65 61.48 2qba s ILE 40 Cb -0.28 -3.72 0.19 0.00 0.01 0.00 0.00 42.46 38.65 2qba s ILE 40 CO 0.02 0.10 0.91 0.00 0.00 0.00 0.00 174.94 175.97 2qba n ALA 41 N 0.39 -2.13 -0.14 9.38 0.00 0.17 -3.17 120.51 125.01 2qba n ALA 41 Ca -0.02 -0.88 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 2qba n ALA 41 Cb 0.52 -2.02 0.03 0.00 0.00 0.00 0.00 19.45 17.98 2qba n ALA 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qba h PRO 42 N -2.20 0.00 0.00 0.00 0.11 -1.88 0.30 132.00 128.34 2qba h PRO 42 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qba h PRO 42 Cb 1.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2qba h PRO 42 CO 0.43 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.49 2qba n ASN 43 N -5.33 0.00 -0.27 -2.05 0.23 -1.26 -4.65 115.26 101.92 2qba n ASN 43 Ca 0.04 0.20 -0.04 0.00 -0.53 0.00 0.00 54.58 54.25 2qba n ASN 43 Cb 0.25 -0.28 -0.02 0.00 -2.08 0.00 0.00 39.78 37.65 2qba n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qba n GLY 44 N -0.80 0.42 0.05 4.83 0.00 0.11 -4.85 105.19 104.95 2qba n GLY 44 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 2qba n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qba n SER 45 N -0.81 1.37 -4.86 1.61 7.64 -1.26 -4.89 113.62 112.41 2qba n SER 45 Ca -0.04 0.50 -0.35 0.00 1.01 0.00 0.00 58.87 60.00 2qba n SER 45 Cb 0.44 -0.77 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 2qba n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2qba s GLU 46 N -1.99 3.84 0.33 1.43 1.03 -1.26 -4.94 118.70 117.14 2qba s GLU 46 Ca -0.12 0.29 0.01 0.00 0.03 0.00 0.00 54.97 55.18 2qba s GLU 46 Cb 0.02 -2.96 -0.03 0.00 -0.80 0.00 0.00 34.13 30.36 2qba s GLU 46 CO 0.18 0.52 0.52 0.08 -1.33 0.00 0.00 175.26 175.23 2qba s VAL 47 N -1.44 5.13 -0.01 1.83 1.01 -1.26 0.44 120.40 126.09 2qba s VAL 47 Ca 0.35 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 2qba s VAL 47 Cb -0.14 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2qba s VAL 47 CO 0.19 -0.52 -0.11 0.18 0.00 0.00 0.00 175.10 174.84 2qba n LEU 48 N -1.71 1.03 -4.27 3.92 4.77 0.15 -4.78 117.00 116.12 2qba n LEU 48 Ca -0.05 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 2qba n LEU 48 Cb 0.56 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 2qba n LEU 48 CO 0.48 -0.53 -0.35 0.68 -1.33 0.00 0.00 177.39 176.34 2qba s VAL 49 N -1.98 0.88 0.19 4.08 -7.23 -1.21 -4.99 120.40 110.15 2qba s VAL 49 Ca -0.09 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 57.98 2qba s VAL 49 Cb 0.01 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 2qba s VAL 49 CO 0.13 -0.49 0.33 0.00 -0.31 0.00 0.00 175.10 174.76 2qba s ALA 50 N -3.52 0.01 -0.32 1.32 0.00 -1.26 -1.19 121.76 116.80 2qba s ALA 50 Ca 0.24 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 2qba s ALA 50 Cb 0.05 0.97 0.19 0.00 0.00 0.00 0.00 23.12 24.33 2qba s ALA 50 CO 0.05 -0.70 1.06 0.00 0.00 0.00 0.00 175.76 176.16 2qba s ALA 51 N -4.00 -4.44 0.05 0.00 0.00 -0.71 -4.44 121.76 108.23 2qba s ALA 51 Ca 0.20 1.31 0.09 0.00 0.00 0.00 0.00 51.96 53.57 2qba s ALA 51 Cb 0.02 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 2qba s ALA 51 CO 0.03 -2.45 -0.26 -1.54 0.00 0.00 0.00 175.76 171.54 2qba s SER 52 N 2.10 3.10 0.66 0.00 1.04 -1.26 -3.66 113.70 115.68 2qba s SER 52 Ca 0.16 -0.59 0.24 0.00 0.48 0.00 0.00 55.95 56.24 2qba s SER 52 Cb 0.03 -0.28 1.30 0.00 0.10 0.00 0.00 66.02 67.17 2qba s SER 52 CO -0.16 0.25 1.73 0.71 0.98 0.00 0.00 173.24 176.75 2qba h THR 53 N 4.22 0.02 -0.70 2.02 1.35 -1.77 0.08 112.91 118.13 2qba h THR 53 Ca -0.46 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.32 2qba h THR 53 Cb 1.14 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.06 2qba h THR 53 CO 0.43 0.00 0.15 1.62 -0.25 0.00 0.00 175.52 177.48 2qba h VAL 54 N 0.00 1.26 -2.43 6.82 3.04 -1.95 -3.31 116.25 119.68 2qba h VAL 54 Ca 0.02 -1.00 -0.53 0.00 -1.01 0.00 0.00 66.70 64.18 2qba h VAL 54 Cb 0.97 0.56 0.03 0.00 -2.01 0.00 0.00 31.29 30.84 2qba h VAL 54 CO -0.00 0.38 1.19 -1.61 -1.01 0.00 0.00 177.57 176.52 2qba s GLU 55 N -5.28 4.14 0.15 4.17 2.02 0.01 -4.80 118.70 119.11 2qba s GLU 55 Ca -0.12 2.63 -0.27 0.00 0.02 0.00 0.00 54.97 57.22 2qba s GLU 55 Cb 0.15 -3.90 -0.00 0.00 0.10 0.00 0.00 34.13 30.47 2qba s GLU 55 CO 0.85 -0.91 1.57 -0.22 0.02 0.00 0.00 175.26 176.57 2qba h LYS 56 N 9.70 -0.30 -0.70 1.61 3.64 -1.88 -0.60 116.57 128.04 2qba h LYS 56 Ca -0.48 0.02 0.27 0.00 -1.27 0.00 0.00 60.65 59.19 2qba h LYS 56 Cb 1.23 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 33.02 2qba h LYS 56 CO 0.94 -0.20 0.41 0.00 -2.27 0.00 0.00 179.45 178.33 2qba n ALA 57 N -3.09 0.71 -0.10 5.00 0.00 -1.26 0.33 120.51 122.10 2qba n ALA 57 Ca -0.00 0.60 -0.24 0.00 0.00 0.00 0.00 53.44 53.80 2qba n ALA 57 Cb 0.35 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 19.04 2qba n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qba n ILE 58 N -4.23 1.57 0.33 0.00 5.41 -0.60 -4.27 119.36 117.58 2qba n ILE 58 Ca 0.24 -0.35 0.16 0.00 1.00 0.00 0.00 62.75 63.80 2qba n ILE 58 Cb 0.86 -1.83 0.86 0.00 -0.71 0.00 0.00 39.64 38.81 2qba n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qba h ALA 59 N -0.47 1.28 -0.34 -1.39 0.00 0.14 -2.23 119.26 116.25 2qba h ALA 59 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qba h ALA 59 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2qba h ALA 59 CO -0.20 -0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.16 2qba n GLU 60 N -2.88 0.00 0.18 0.00 -0.58 0.58 -3.53 120.64 114.42 2qba n GLU 60 Ca -0.02 0.44 0.13 0.00 -0.42 0.00 0.00 57.16 57.29 2qba n GLU 60 Cb 0.33 -1.22 0.66 0.00 -0.57 0.00 0.00 31.44 30.64 2qba n GLU 60 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2qba h GLN 61 N 0.00 0.00 -6.32 3.49 1.08 -1.76 -3.42 115.11 108.18 2qba h GLN 61 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 2qba h GLN 61 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2qba h GLN 61 CO 0.00 0.00 0.76 -0.51 -0.95 0.00 0.00 178.83 178.13 2qba s LEU 62 N -4.75 4.29 0.02 1.46 2.01 -0.85 -4.96 118.68 115.89 2qba s LEU 62 Ca -0.02 1.91 -0.11 0.00 0.01 0.00 0.00 54.13 55.92 2qba s LEU 62 Cb 0.08 -3.56 -0.06 0.00 0.01 0.00 0.00 46.19 42.66 2qba s LEU 62 CO 0.26 -0.64 1.17 0.50 1.01 0.00 0.00 176.35 178.65 2qba h LYS 63 N 7.65 -0.39 -3.36 1.70 3.64 -1.86 -3.44 116.57 120.51 2qba h LYS 63 Ca -0.35 0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 58.71 2qba h LYS 63 Cb 1.16 0.09 -0.37 0.00 -0.41 0.00 0.00 32.23 32.70 2qba h LYS 63 CO 0.89 -0.26 -0.73 -0.47 -2.27 0.00 0.00 179.45 176.62 2qba s TYR 64 N -3.90 0.04 0.26 1.91 5.04 -1.26 -5.12 117.35 114.31 2qba s TYR 64 Ca -0.06 0.24 -0.31 0.00 -2.44 0.00 0.00 57.07 54.50 2qba s TYR 64 Cb 0.01 -0.39 -0.13 0.00 0.35 0.00 0.00 41.96 41.79 2qba s TYR 64 CO 0.18 -0.16 1.38 0.25 -1.34 0.00 0.00 175.55 175.86 2qba n THR 65 N 4.95 1.16 -2.93 4.34 -2.24 -1.26 -2.67 114.28 115.64 2qba n THR 65 Ca -0.11 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 2qba n THR 65 Cb 0.50 -1.50 0.06 0.00 -2.10 0.00 0.00 70.33 67.29 2qba n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qba n GLY 66 N 1.89 -0.18 2.53 3.38 0.00 -1.21 -4.50 105.19 107.09 2qba n GLY 66 Ca 0.10 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2qba n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qba n ASN 67 N -2.50 3.91 0.00 1.61 4.05 -1.09 -4.82 115.26 116.42 2qba n ASN 67 Ca -0.17 -3.48 0.00 0.00 0.45 0.00 0.00 54.58 51.38 2qba n ASN 67 Cb 0.61 -0.48 0.00 0.00 1.23 0.00 0.00 39.78 41.14 2qba n ASN 67 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2qba n LYS 68 N -0.37 0.00 -0.07 1.20 5.02 -1.26 -1.97 118.16 120.70 2qba n LYS 68 Ca 0.32 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.76 2qba n LYS 68 Cb 0.69 0.00 0.57 0.00 -0.02 0.00 0.00 35.03 36.27 2qba n LYS 68 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2qba h ASP 69 N 0.00 0.25 -0.04 4.39 2.03 -1.96 0.31 116.42 121.41 2qba h ASP 69 Ca 0.00 0.01 -0.18 0.00 -0.73 0.00 0.00 57.03 56.13 2qba h ASP 69 Cb 0.00 -0.04 0.01 0.00 -0.83 0.00 0.00 39.33 38.47 2qba h ASP 69 CO 0.00 0.14 -0.66 0.00 -1.03 0.00 0.00 179.24 177.68 2qba h ALA 70 N 1.70 0.13 -0.04 4.15 0.00 -1.67 -3.13 119.26 120.40 2qba h ALA 70 Ca 0.29 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2qba h ALA 70 Cb 0.78 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2qba h ALA 70 CO -0.06 0.44 -0.09 0.00 0.00 0.00 0.00 179.25 179.54 2qba n ALA 71 N -2.59 4.89 0.00 0.00 0.00 0.10 -3.20 120.51 119.72 2qba n ALA 71 Ca -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2qba n ALA 71 Cb 0.69 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2qba n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n ALA 72 N 1.73 2.78 -0.27 0.00 0.00 -0.81 -3.72 120.51 120.22 2qba n ALA 72 Ca 0.17 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.77 2qba n ALA 72 Cb 0.64 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.54 2qba n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba h ALA 73 N 0.00 2.04 -0.57 0.00 0.00 -1.52 0.63 119.26 119.84 2qba h ALA 73 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2qba h ALA 73 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2qba h ALA 73 CO 0.00 -0.33 0.29 -0.39 0.00 0.00 0.00 179.25 178.82 2qba h VAL 74 N 0.53 0.95 -0.10 0.00 -1.51 -1.85 0.54 116.25 114.81 2qba h VAL 74 Ca 0.49 -0.19 -0.03 0.00 -1.23 0.00 0.00 66.70 65.73 2qba h VAL 74 Cb 1.04 0.34 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2qba h VAL 74 CO -0.22 0.10 -0.06 1.23 -1.23 0.00 0.00 177.57 177.39 2qba h GLY 75 N 0.56 0.24 2.00 5.19 0.00 -0.10 -1.53 103.07 109.42 2qba h GLY 75 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2qba h GLY 75 CO -0.17 0.21 0.00 1.17 0.00 0.00 0.00 176.54 177.74 2qba n LYS 76 N -4.70 0.14 -0.06 4.80 4.81 0.40 -1.65 118.16 121.91 2qba n LYS 76 Ca -0.07 0.51 -0.04 0.00 -0.87 0.00 0.00 58.31 57.85 2qba n LYS 76 Cb 0.29 -1.86 -0.04 0.00 0.02 0.00 0.00 35.03 33.45 2qba n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qba h ALA 77 N 2.14 0.01 -0.66 3.14 0.00 0.59 -3.25 119.26 121.23 2qba h ALA 77 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.86 2qba h ALA 77 Cb 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2qba h ALA 77 CO 0.00 0.05 0.45 -0.39 0.00 0.00 0.00 179.25 179.36 2qba h VAL 78 N -1.00 0.79 0.00 0.00 -1.51 -0.94 0.13 116.25 113.72 2qba h VAL 78 Ca -0.01 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2qba h VAL 78 Cb 0.31 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 2qba h VAL 78 CO -0.01 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 176.39 2qba n ALA 79 N -2.56 -0.08 0.15 5.19 0.00 -0.66 0.12 120.51 122.67 2qba n ALA 79 Ca 0.12 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.75 2qba n ALA 79 Cb 0.52 0.10 0.78 0.00 0.00 0.00 0.00 19.45 20.85 2qba n ALA 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qba h GLU 80 N 0.00 0.00 -0.46 0.00 4.11 -1.55 0.66 114.58 117.34 2qba h GLU 80 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 2qba h GLU 80 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2qba h GLU 80 CO 0.00 0.00 -0.20 -0.09 0.07 0.00 0.00 179.01 178.79 2qba h ARG 81 N 0.00 0.92 0.01 1.06 9.65 -0.16 -0.57 114.38 125.29 2qba h ARG 81 Ca 0.14 -0.38 -0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2qba h ARG 81 Cb 0.85 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 2qba h ARG 81 CO -0.00 1.04 -0.00 0.00 2.80 0.00 0.00 179.97 183.80 2qba h ALA 82 N 0.96 -0.01 -0.15 2.80 0.00 0.63 -3.18 119.26 120.31 2qba h ALA 82 Ca 0.11 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2qba h ALA 82 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2qba h ALA 82 CO 0.06 -0.03 0.34 -0.07 0.00 0.00 0.00 179.25 179.55 2qba h LEU 83 N -0.95 0.00 0.88 0.00 4.07 -0.27 0.17 115.31 119.21 2qba h LEU 83 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 2qba h LEU 83 Cb 0.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2qba h LEU 83 CO 0.00 0.00 -0.47 -0.08 -1.08 0.00 0.00 178.44 176.81 2qba h GLU 84 N 0.00 -1.20 0.00 1.13 4.57 -1.07 0.80 114.58 118.82 2qba h GLU 84 Ca 0.07 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2qba h GLU 84 Cb 0.75 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 2qba h GLU 84 CO -0.00 -0.80 0.00 1.63 -1.18 0.00 0.00 179.01 178.66 2qba n LYS 85 N -5.50 0.12 -0.80 1.92 4.76 0.35 -4.78 118.16 114.24 2qba n LYS 85 Ca -0.15 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2qba n LYS 85 Cb 0.50 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 2qba n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qba n GLY 86 N -0.53 0.61 3.71 0.72 0.00 0.28 -5.04 105.19 104.93 2qba n GLY 86 Ca 0.04 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 2qba n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qba s ILE 87 N -2.00 5.04 0.28 -0.61 -1.09 0.28 -4.88 121.20 118.22 2qba s ILE 87 Ca 0.00 1.40 -0.11 0.00 -2.23 0.00 0.00 60.65 59.71 2qba s ILE 87 Cb 0.00 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2qba s ILE 87 CO 0.00 0.22 0.51 -0.75 -1.23 0.00 0.00 174.94 173.69 2qba s LYS 88 N 1.06 1.70 -0.35 2.79 2.20 -1.26 -3.02 119.74 122.85 2qba s LYS 88 Ca 0.36 -1.38 -0.06 0.00 -0.36 0.00 0.00 55.97 54.53 2qba s LYS 88 Cb -0.17 0.48 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 2qba s LYS 88 CO 0.16 -0.72 0.23 -0.25 -0.36 0.00 0.00 175.35 174.42 2qba n ASP 89 N -0.71 -7.99 -3.96 1.43 10.43 -1.19 -4.90 116.55 109.67 2qba n ASP 89 Ca -0.02 1.08 -0.17 0.00 2.57 0.00 0.00 54.79 58.25 2qba n ASP 89 Cb 0.62 -5.30 -0.09 0.00 1.84 0.00 0.00 41.12 38.18 2qba n ASP 89 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2qba s VAL 90 N -2.00 0.23 -0.09 2.53 -7.23 -0.75 -4.88 120.40 108.21 2qba s VAL 90 Ca 0.10 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.25 2qba s VAL 90 Cb -0.03 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 2qba s VAL 90 CO 0.77 0.00 -0.02 -0.44 -0.31 0.00 0.00 175.10 175.11 2qba s SER 91 N -3.33 5.08 -0.26 4.85 0.01 -1.08 -4.52 113.70 114.46 2qba s SER 91 Ca 0.37 0.08 -0.18 0.00 1.31 0.00 0.00 55.95 57.54 2qba s SER 91 Cb 0.05 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.80 2qba s SER 91 CO 0.18 0.35 0.52 0.12 0.41 0.00 0.00 173.24 174.81 2qba s PHE 92 N -0.72 3.27 -0.82 2.43 5.36 -1.26 0.17 117.98 126.41 2qba s PHE 92 Ca 0.11 0.64 -0.10 0.00 -0.96 0.00 0.00 56.93 56.62 2qba s PHE 92 Cb -0.12 -2.72 0.21 0.00 -0.34 0.00 0.00 43.02 40.06 2qba s PHE 92 CO 0.02 -0.28 0.73 0.34 -1.46 0.00 0.00 175.22 174.57 2qba s ASP 93 N 1.54 6.39 0.00 6.13 3.68 -1.25 -4.88 116.67 128.27 2qba s ASP 93 Ca 0.21 -2.93 0.00 0.00 2.13 0.00 0.00 52.55 51.96 2qba s ASP 93 Cb -0.16 -2.10 0.00 0.00 -1.45 0.00 0.00 42.92 39.22 2qba s ASP 93 CO 0.09 -0.45 0.67 -2.11 0.13 0.00 0.00 175.17 173.49 2qba n ARG 94 N 3.55 0.00 -4.01 4.34 1.85 -1.26 -2.49 116.66 118.64 2qba n ARG 94 Ca 0.14 0.18 -0.31 0.00 -1.00 0.00 0.00 57.85 56.87 2qba n ARG 94 Cb 0.43 -1.51 -0.02 0.00 -1.05 0.00 0.00 32.46 30.31 2qba n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qba n SER 95 N -1.17 -1.47 0.00 2.89 7.64 -1.26 -0.48 113.62 119.77 2qba n SER 95 Ca 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.76 2qba n SER 95 Cb 0.01 -2.57 0.00 0.00 -1.01 0.00 0.00 64.21 60.64 2qba n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qba n GLY 96 N -2.09 1.47 3.69 0.23 0.00 -1.26 -4.75 105.19 102.48 2qba n GLY 96 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2qba n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qba s PHE 97 N -3.03 3.48 -0.62 1.61 0.08 0.37 -4.85 117.98 115.00 2qba s PHE 97 Ca 0.00 1.18 -0.27 0.00 0.12 0.00 0.00 56.93 57.95 2qba s PHE 97 Cb 0.00 -2.87 -0.11 0.00 -0.57 0.00 0.00 43.02 39.47 2qba s PHE 97 CO 0.00 -0.08 2.49 0.94 -0.10 0.00 0.00 175.22 178.46 2qba n GLN 98 N 4.56 0.77 -1.55 0.44 0.00 -1.26 -4.81 117.38 115.53 2qba n GLN 98 Ca 0.01 -0.02 -0.29 0.00 -0.00 0.00 0.00 57.00 56.69 2qba n GLN 98 Cb 0.50 -2.97 -0.06 0.00 0.00 0.00 0.00 30.24 27.71 2qba n GLN 98 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qba n TYR 99 N 14.64 1.21 0.00 3.69 4.19 -1.26 -3.86 117.16 135.77 2qba n TYR 99 Ca 0.45 0.09 0.00 0.00 3.31 0.00 0.00 57.90 61.75 2qba n TYR 99 Cb 0.42 -2.52 0.00 0.00 0.49 0.00 0.00 39.34 37.73 2qba n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2qba n HIS 100 N 15.89 -0.30 0.00 2.98 -0.00 -1.26 -4.84 115.22 127.69 2qba n HIS 100 Ca 0.44 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.62 2qba n HIS 100 Cb 0.45 0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 2qba n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qba n GLY 101 N -1.07 0.86 0.25 1.57 0.00 -1.25 -4.40 105.19 101.14 2qba n GLY 101 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2qba n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qba h ARG 102 N 0.00 0.45 -0.10 1.61 3.08 -1.90 -1.87 114.38 115.64 2qba h ARG 102 Ca 0.00 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 2qba h ARG 102 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2qba h ARG 102 CO 0.00 0.60 -0.26 0.28 -1.07 0.00 0.00 179.97 179.51 2qba h VAL 103 N 0.41 1.23 -0.17 2.04 2.07 -1.88 -1.91 116.25 118.05 2qba h VAL 103 Ca 0.07 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.51 2qba h VAL 103 Cb 0.52 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2qba h VAL 103 CO 0.03 0.33 0.05 -0.61 0.02 0.00 0.00 177.57 177.40 2qba h GLN 104 N 0.17 0.13 -7.49 1.57 -0.00 -1.55 -3.27 115.11 104.66 2qba h GLN 104 Ca 0.03 -0.01 -0.44 0.00 -0.00 0.00 0.00 58.65 58.23 2qba h GLN 104 Cb 0.56 -0.03 0.17 0.00 0.00 0.00 0.00 27.48 28.18 2qba h GLN 104 CO 0.04 0.09 0.23 0.00 0.00 0.00 0.00 178.83 179.19 2qba s ALA 105 N -6.18 1.22 0.00 3.38 0.00 -0.72 -2.29 121.76 117.17 2qba s ALA 105 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2qba s ALA 105 Cb 0.09 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2qba s ALA 105 CO 0.68 -2.97 0.00 1.47 0.00 0.00 0.00 175.76 174.94 2qba n LEU 106 N -4.27 0.00 0.00 0.00 -0.00 -1.24 -4.45 117.00 107.04 2qba n LEU 106 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 2qba n LEU 106 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2qba n LEU 106 CO 0.50 0.00 0.08 0.00 -0.00 0.00 0.00 177.39 177.97 2qba n ALA 107 N 0.00 -0.03 0.15 1.47 0.00 -1.20 -0.36 120.51 120.54 2qba n ALA 107 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2qba n ALA 107 Cb 0.00 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.23 2qba n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qba h ASP 108 N 0.00 0.00 0.00 0.00 -0.00 -1.67 0.44 116.42 115.18 2qba h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2qba h ASP 108 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2qba h ASP 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 2qba n ALA 109 N -2.30 -0.26 -0.31 4.15 0.00 -1.24 0.74 120.51 121.29 2qba n ALA 109 Ca 0.05 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.75 2qba n ALA 109 Cb 0.51 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.55 2qba n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba h ALA 110 N -2.00 2.52 0.63 0.00 0.00 -0.14 0.91 119.26 121.19 2qba h ALA 110 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qba h ALA 110 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qba h ALA 110 CO 0.00 -0.89 -0.30 -0.09 0.00 0.00 0.00 179.25 177.96 2qba h ARG 111 N 0.25 -0.81 0.00 0.00 2.43 -0.06 -1.50 114.38 114.69 2qba h ARG 111 Ca 0.57 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 2qba h ARG 111 Cb 1.71 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 2qba h ARG 111 CO -0.19 -0.54 0.00 -1.91 -1.51 0.00 0.00 179.97 175.82 2qba n GLU 112 N -4.35 0.00 -0.80 0.20 0.00 0.23 -1.65 120.64 114.26 2qba n GLU 112 Ca -0.10 0.42 -0.09 0.00 0.00 0.00 0.00 57.16 57.39 2qba n GLU 112 Cb 0.33 -1.50 0.19 0.00 0.00 0.00 0.00 31.44 30.46 2qba n GLU 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qba n ALA 113 N -1.50 4.30 0.00 4.31 0.00 0.30 -4.89 120.51 123.02 2qba n ALA 113 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.61 2qba n ALA 113 Cb 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2qba n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 114 N -0.27 3.18 3.39 0.00 0.00 -0.66 -4.62 105.19 106.21 2qba n GLY 114 Ca 0.35 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2qba n GLY 114 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qba n LEU 115 N 0.00 -1.23 -4.23 0.99 -0.00 -0.75 -4.93 117.00 106.86 2qba n LEU 115 Ca 0.00 0.90 -0.39 0.00 -0.00 0.00 0.00 56.01 56.51 2qba n LEU 115 Cb 0.00 -1.01 -0.10 0.00 -0.00 0.00 0.00 43.42 42.31 2qba n LEU 115 CO 0.00 -3.39 -0.11 -1.58 -0.00 0.00 0.00 177.39 172.31 2qba s GLN 116 N -1.30 2.48 0.00 1.96 2.00 -1.26 -4.58 119.66 118.96 2qba s GLN 116 Ca 0.62 -1.56 0.00 0.00 -2.00 0.00 0.00 55.36 52.41 2qba s GLN 116 Cb -0.65 -3.74 0.00 0.00 0.80 0.00 0.00 33.01 29.41 2qba s GLN 116 CO 0.60 -1.00 0.00 1.97 -0.50 0.00 0.00 175.29 176.36