#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf h ARG 2 N 0.00 0.87 0.00 0.00 -0.00 -1.67 -3.35 114.38 110.23 2qbf h ARG 2 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 2qbf h ARG 2 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 29.78 2qbf h ARG 2 CO 0.00 0.59 0.00 -0.89 0.00 0.00 0.00 179.97 179.67 2qbf n ILE 3 N -4.42 0.00 0.19 2.04 5.41 -1.26 0.12 119.36 121.44 2qbf n ILE 3 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.85 2qbf n ILE 3 Cb 0.05 0.00 0.37 0.00 -0.71 0.00 0.00 39.64 39.35 2qbf n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbf h ALA 4 N -0.79 1.32 0.00 -1.39 0.00 -1.88 -3.46 119.26 113.05 2qbf h ALA 4 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qbf h ALA 4 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qbf h ALA 4 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 2qbf n GLY 5 N -0.38 2.88 5.21 0.00 0.00 0.12 -5.04 105.19 107.98 2qbf n GLY 5 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2qbf n GLY 5 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qbf n ILE 6 N 0.00 0.00 0.00 -0.61 5.41 -1.22 -4.82 119.36 118.12 2qbf n ILE 6 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2qbf n ILE 6 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2qbf n ILE 6 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2qbf n ASN 7 N 0.95 0.00 -3.34 4.38 5.03 -1.26 -3.83 115.26 117.19 2qbf n ASN 7 Ca 0.00 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.13 2qbf n ASN 7 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 2qbf n ASN 7 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2qbf n ILE 8 N 0.00 3.73 -1.92 2.41 -5.35 -1.26 -3.87 119.36 113.10 2qbf n ILE 8 Ca 0.00 -5.60 -0.42 0.00 -0.27 0.00 0.00 62.75 56.46 2qbf n ILE 8 Cb 0.00 -1.72 -0.03 0.00 -1.74 0.00 0.00 39.64 36.15 2qbf n ILE 8 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2qbf s PRO 9 N -3.26 3.15 0.21 6.28 0.04 -1.26 -4.70 135.00 135.45 2qbf s PRO 9 Ca 0.42 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 2qbf s PRO 9 Cb 0.20 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 2qbf s PRO 9 CO -0.07 -2.08 0.13 -0.51 0.04 0.00 0.00 177.00 174.51 2qbf s ASP 10 N 7.02 0.27 -1.72 6.66 1.01 -1.26 -4.53 116.67 124.11 2qbf s ASP 10 Ca 0.82 -1.40 0.00 0.00 0.71 0.00 0.00 52.55 52.68 2qbf s ASP 10 Cb -0.22 0.37 0.00 0.00 1.01 0.00 0.00 42.92 44.08 2qbf s ASP 10 CO 0.32 -0.84 0.00 1.41 0.21 0.00 0.00 175.17 176.27 2qbf n HIS 11 N -0.29 0.00 -4.33 4.23 8.25 -1.26 -4.88 115.22 116.93 2qbf n HIS 11 Ca 0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.31 2qbf n HIS 11 Cb 0.66 -2.88 -0.10 0.00 1.12 0.00 0.00 29.99 28.79 2qbf n HIS 11 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qbf s LYS 12 N -3.35 1.47 0.27 -0.41 -0.14 -1.26 -5.04 119.74 111.27 2qbf s LYS 12 Ca 0.00 -1.81 -0.29 0.00 -1.36 0.00 0.00 55.97 52.51 2qbf s LYS 12 Cb 0.00 -0.29 -0.09 0.00 -1.68 0.00 0.00 37.83 35.77 2qbf s LYS 12 CO 0.00 -0.32 1.17 -1.01 -0.76 0.00 0.00 175.35 174.43 2qbf s HIS 13 N -3.69 3.43 0.21 3.18 3.76 -1.26 -2.90 115.29 118.01 2qbf s HIS 13 Ca 0.37 1.57 -0.14 0.00 -0.15 0.00 0.00 55.06 56.71 2qbf s HIS 13 Cb 0.07 -3.41 0.23 0.00 1.11 0.00 0.00 32.58 30.59 2qbf s HIS 13 CO 0.14 -0.99 1.36 0.00 -0.85 0.00 0.00 174.74 174.40 2qbf n ALA 14 N 1.39 -0.08 -1.00 -1.40 0.00 0.28 -1.24 120.51 118.46 2qbf n ALA 14 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.32 2qbf n ALA 14 Cb 0.44 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2qbf n ALA 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2qbf n VAL 15 N -5.30 0.00 -0.33 0.00 0.24 -1.25 -0.41 118.33 111.28 2qbf n VAL 15 Ca 0.09 0.69 0.00 0.00 -2.04 0.00 0.00 64.34 63.08 2qbf n VAL 15 Cb 0.36 -1.42 0.07 0.00 -1.47 0.00 0.00 33.84 31.37 2qbf n VAL 15 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2qbf h ILE 16 N 0.00 0.06 -0.95 1.34 2.10 -1.89 0.59 117.51 118.77 2qbf h ILE 16 Ca 0.00 0.00 0.18 0.00 1.08 0.00 0.00 64.86 66.12 2qbf h ILE 16 Cb 0.00 0.06 -0.08 0.00 -1.09 0.00 0.00 36.82 35.71 2qbf h ILE 16 CO 0.00 0.00 0.60 0.00 -1.08 0.00 0.00 178.15 177.67 2qbf h ALA 17 N 1.53 1.90 -0.11 0.18 0.00 -1.18 0.17 119.26 121.75 2qbf h ALA 17 Ca 0.36 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 2qbf h ALA 17 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2qbf h ALA 17 CO -0.92 -0.20 -0.42 1.25 0.00 0.00 0.00 179.25 178.96 2qbf h LEU 18 N 0.64 0.26 -1.00 0.00 6.46 0.30 -2.41 115.31 119.55 2qbf h LEU 18 Ca 0.51 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 2qbf h LEU 18 Cb 0.93 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 2qbf h LEU 18 CO -0.26 0.65 0.00 0.35 -0.62 0.00 0.00 178.44 178.57 2qbf n THR 19 N -4.02 0.94 0.25 1.05 -2.24 0.57 -2.27 114.28 108.57 2qbf n THR 19 Ca -0.02 0.45 0.18 0.00 -2.27 0.00 0.00 64.05 62.40 2qbf n THR 19 Cb 0.49 -1.41 0.86 0.00 -2.10 0.00 0.00 70.33 68.17 2qbf n THR 19 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2qbf h SER 20 N 0.00 0.00 -2.59 3.42 0.02 -1.29 -3.42 113.55 109.70 2qbf h SER 20 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2qbf h SER 20 Cb 0.20 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.78 2qbf h SER 20 CO 0.00 0.00 1.07 -0.63 -1.14 0.00 0.00 176.83 176.13 2qbf s ILE 21 N -4.35 2.58 -0.71 3.27 1.01 -0.96 -4.82 121.20 117.21 2qbf s ILE 21 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2qbf s ILE 21 Cb 0.12 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.50 2qbf s ILE 21 CO 0.42 0.00 0.64 -1.22 0.00 0.00 0.00 174.94 174.78 2qbf n TYR 22 N 5.43 0.00 0.00 3.97 0.53 -1.26 -1.70 117.16 124.12 2qbf n TYR 22 Ca 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.05 2qbf n TYR 22 Cb 0.38 -0.20 0.00 0.00 -1.03 0.00 0.00 39.34 38.49 2qbf n TYR 22 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbf n GLY 23 N -1.14 0.84 3.75 2.72 0.00 -1.26 -4.52 105.19 105.58 2qbf n GLY 23 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2qbf n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbf s VAL 24 N -0.99 4.50 0.41 1.61 -7.23 -0.69 -4.91 120.40 113.09 2qbf s VAL 24 Ca 0.00 -0.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 2qbf s VAL 24 Cb 0.00 -3.06 0.01 0.00 0.56 0.00 0.00 36.38 33.89 2qbf s VAL 24 CO 0.00 0.32 0.06 0.61 -0.31 0.00 0.00 175.10 175.78 2qbf n GLY 25 N 1.13 3.54 0.26 2.32 0.00 -1.26 -4.62 105.19 106.56 2qbf n GLY 25 Ca -0.13 -2.33 0.02 0.00 0.00 0.00 0.00 46.02 43.58 2qbf n GLY 25 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qbf h LYS 26 N 0.00 0.03 -0.39 1.61 3.11 -1.96 -0.29 116.57 118.67 2qbf h LYS 26 Ca -0.32 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.51 2qbf h LYS 26 Cb 1.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.21 2qbf h LYS 26 CO 0.53 0.02 0.22 1.15 -2.81 0.00 0.00 179.45 178.56 2qbf h THR 27 N 0.03 1.14 -0.50 1.00 2.02 -1.99 -1.53 112.91 113.09 2qbf h THR 27 Ca 0.35 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 2qbf h THR 27 Cb 0.56 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2qbf h THR 27 CO -0.67 0.14 0.13 -0.09 0.37 0.00 0.00 175.52 175.40 2qbf h ARG 28 N 0.51 0.79 -0.29 6.66 1.12 -1.68 -2.88 114.38 118.60 2qbf h ARG 28 Ca 0.14 -0.18 -0.07 0.00 -1.11 0.00 0.00 59.98 58.76 2qbf h ARG 28 Cb 0.03 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 2qbf h ARG 28 CO -0.02 0.76 -0.08 1.03 -3.11 0.00 0.00 179.97 178.54 2qbf h SER 29 N 0.68 0.58 0.42 -3.80 0.87 -1.00 0.48 113.55 111.77 2qbf h SER 29 Ca 0.16 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2qbf h SER 29 Cb 0.32 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2qbf h SER 29 CO 0.00 0.82 0.00 0.50 -0.53 0.00 0.00 176.83 177.62 2qbf h LYS 30 N 0.34 0.00 0.00 2.24 3.64 -1.28 -2.74 116.57 118.77 2qbf h LYS 30 Ca 0.07 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.17 2qbf h LYS 30 Cb 0.57 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 2qbf h LYS 30 CO 0.03 0.00 -2.08 0.00 -2.27 0.00 0.00 179.45 175.13 2qbf n ALA 31 N -1.95 1.60 -0.21 5.00 0.00 -1.09 -4.47 120.51 119.38 2qbf n ALA 31 Ca -0.01 -0.93 -0.07 0.00 0.00 0.00 0.00 53.44 52.43 2qbf n ALA 31 Cb 0.16 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.62 2qbf n ALA 31 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2qbf h ILE 32 N 0.00 1.23 0.32 0.00 2.10 0.11 -2.38 117.51 118.89 2qbf h ILE 32 Ca -0.43 -0.70 0.00 0.00 1.08 0.00 0.00 64.86 64.82 2qbf h ILE 32 Cb 1.82 0.57 -0.03 0.00 -1.09 0.00 0.00 36.82 38.10 2qbf h ILE 32 CO -0.02 0.27 -0.37 -0.07 -1.08 0.00 0.00 178.15 176.88 2qbf h LEU 33 N 0.82 -1.03 -0.24 2.19 3.38 -1.73 -0.62 115.31 118.09 2qbf h LEU 33 Ca 0.20 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.32 2qbf h LEU 33 Cb 0.19 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 2qbf h LEU 33 CO -0.02 -0.50 -0.17 0.00 0.09 0.00 0.00 178.44 177.84 2qbf h ALA 34 N -0.28 -0.01 -0.43 1.53 0.00 -1.51 0.48 119.26 119.04 2qbf h ALA 34 Ca -0.02 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2qbf h ALA 34 Cb 0.68 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2qbf h ALA 34 CO -0.10 -0.59 0.35 0.00 0.00 0.00 0.00 179.25 178.91 2qbf h ALA 35 N 0.98 2.31 -0.58 0.00 0.00 -1.18 0.79 119.26 121.57 2qbf h ALA 35 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qbf h ALA 35 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qbf h ALA 35 CO -0.33 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.35 2qbf n ALA 36 N -2.54 2.41 -3.32 0.00 0.00 0.42 -4.93 120.51 112.55 2qbf n ALA 36 Ca 0.07 -1.03 -0.18 0.00 0.00 0.00 0.00 53.44 52.30 2qbf n ALA 36 Cb 0.54 -0.95 0.07 0.00 0.00 0.00 0.00 19.45 19.11 2qbf n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbf n GLY 37 N 1.45 -0.24 3.20 0.00 0.00 0.27 -4.88 105.19 105.00 2qbf n GLY 37 Ca 0.20 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 2qbf n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbf s ILE 38 N -3.26 1.49 0.00 -0.61 -1.09 0.14 -4.97 121.20 112.90 2qbf s ILE 38 Ca 0.36 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 2qbf s ILE 38 Cb -0.16 -1.27 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 2qbf s ILE 38 CO 0.58 0.31 0.00 0.00 -1.23 0.00 0.00 174.94 174.60 2qbf n ALA 39 N 2.30 0.00 0.00 9.38 0.00 -1.26 -3.00 120.51 127.92 2qbf n ALA 39 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2qbf n ALA 39 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2qbf n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qbf n GLU 40 N 0.00 0.35 0.00 0.00 1.02 -1.26 -4.66 120.64 116.09 2qbf n GLU 40 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2qbf n GLU 40 Cb 0.00 -0.70 0.36 0.00 -0.02 0.00 0.00 31.44 31.08 2qbf n GLU 40 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2qbf n ASP 41 N -1.73 0.00 -4.69 1.62 5.68 -1.26 -1.44 116.55 114.72 2qbf n ASP 41 Ca 0.00 -0.04 -0.42 0.00 -0.50 0.00 0.00 54.79 53.83 2qbf n ASP 41 Cb 0.20 -0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 39.94 2qbf n ASP 41 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2qbf s VAL 42 N -2.43 4.53 -0.55 2.12 -7.23 -1.26 -4.78 120.40 110.81 2qbf s VAL 42 Ca 0.15 1.82 -0.28 0.00 -1.81 0.00 0.00 61.98 61.86 2qbf s VAL 42 Cb 0.09 -4.17 0.02 0.00 0.56 0.00 0.00 36.38 32.89 2qbf s VAL 42 CO 0.19 0.04 1.26 -0.54 -0.31 0.00 0.00 175.10 175.74 2qbf s LYS 43 N 1.79 3.49 0.44 4.82 1.02 -1.26 0.98 119.74 131.03 2qbf s LYS 43 Ca 0.53 0.39 0.28 0.00 0.02 0.00 0.00 55.97 57.18 2qbf s LYS 43 Cb -0.22 -4.03 1.34 0.00 -0.52 0.00 0.00 37.83 34.40 2qbf s LYS 43 CO 0.22 -1.70 1.70 -0.84 -0.92 0.00 0.00 175.35 173.81 2qbf h ILE 44 N 6.24 0.30 0.60 2.17 -0.00 -1.84 0.69 117.51 125.68 2qbf h ILE 44 Ca -0.25 -0.06 -0.02 0.00 -0.00 0.00 0.00 64.86 64.52 2qbf h ILE 44 Cb 1.07 0.10 -0.02 0.00 -0.00 0.00 0.00 36.82 37.98 2qbf h ILE 44 CO 1.17 0.03 -0.51 0.77 -0.00 0.00 0.00 178.15 179.62 2qbf h SER 45 N 0.18 -1.36 -0.06 2.16 4.64 -1.82 -2.05 113.55 115.25 2qbf h SER 45 Ca 0.71 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 62.13 2qbf h SER 45 Cb 2.21 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 64.73 2qbf h SER 45 CO -0.29 -0.70 0.00 -1.84 -0.87 0.00 0.00 176.83 173.12 2qbf n GLU 46 N -5.58 1.22 -1.74 4.77 -0.00 -0.42 -4.90 120.64 113.99 2qbf n GLU 46 Ca -0.13 -0.34 -0.38 0.00 -0.00 0.00 0.00 57.16 56.31 2qbf n GLU 46 Cb 0.48 -1.29 0.05 0.00 -0.00 0.00 0.00 31.44 30.68 2qbf n GLU 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2qbf n LEU 47 N -0.42 5.63 -4.71 -1.84 -0.00 0.10 -4.90 117.00 110.87 2qbf n LEU 47 Ca 0.13 0.93 -0.42 0.00 -0.00 0.00 0.00 56.01 56.65 2qbf n LEU 47 Cb 0.14 -1.57 -0.03 0.00 -0.00 0.00 0.00 43.42 41.96 2qbf n LEU 47 CO 0.10 -0.73 1.36 -0.44 -0.00 0.00 0.00 177.39 177.68 2qbf s SER 48 N -1.05 6.47 0.17 1.96 0.01 -1.26 -4.89 113.70 115.11 2qbf s SER 48 Ca 0.75 2.73 -0.26 0.00 1.31 0.00 0.00 55.95 60.48 2qbf s SER 48 Cb -0.41 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.27 2qbf s SER 48 CO 0.47 -0.93 1.57 -0.08 0.41 0.00 0.00 173.24 174.67 2qbf h GLU 49 N 7.46 -0.24 -0.96 12.44 4.57 -1.95 0.06 114.58 135.97 2qbf h GLU 49 Ca -0.44 0.02 0.23 0.00 -1.18 0.00 0.00 59.36 57.99 2qbf h GLU 49 Cb 1.21 0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 29.73 2qbf h GLU 49 CO 0.94 -0.16 0.52 0.78 -1.18 0.00 0.00 179.01 179.91 2qbf h GLY 50 N -0.25 1.74 2.00 1.92 0.00 -2.01 0.61 103.07 107.08 2qbf h GLY 50 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2qbf h GLY 50 CO -0.66 -0.23 0.00 -1.06 0.00 0.00 0.00 176.54 174.59 2qbf n GLN 51 N -4.94 0.17 0.03 4.80 6.02 -0.01 -2.33 117.38 121.12 2qbf n GLN 51 Ca 0.25 0.48 -0.20 0.00 -0.01 0.00 0.00 57.00 57.52 2qbf n GLN 51 Cb 0.69 -1.89 -0.14 0.00 1.02 0.00 0.00 30.24 29.92 2qbf n GLN 51 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2qbf h ILE 52 N 0.00 1.43 -0.00 5.09 5.03 0.49 -3.27 117.51 126.28 2qbf h ILE 52 Ca 0.00 -2.50 0.00 0.00 -0.12 0.00 0.00 64.86 62.24 2qbf h ILE 52 Cb 0.25 3.11 -0.00 0.00 -3.03 0.00 0.00 36.82 37.15 2qbf h ILE 52 CO 0.00 0.70 0.23 0.44 -0.68 0.00 0.00 178.15 178.84 2qbf h ASP 53 N -0.40 0.00 0.00 1.72 5.19 -1.24 -1.26 116.42 120.43 2qbf h ASP 53 Ca -0.17 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.22 2qbf h ASP 53 Cb 1.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.14 2qbf h ASP 53 CO 0.12 0.00 -0.08 0.74 -3.12 0.00 0.00 179.24 176.91 2qbf h THR 54 N 0.00 1.63 -0.18 0.35 2.02 -1.60 -3.14 112.91 112.00 2qbf h THR 54 Ca 0.00 -1.96 0.03 0.00 0.77 0.00 0.00 66.41 65.25 2qbf h THR 54 Cb 0.45 2.94 -0.06 0.00 -1.74 0.00 0.00 68.15 69.74 2qbf h THR 54 CO -0.00 0.52 -0.52 -0.07 0.37 0.00 0.00 175.52 175.82 2qbf h LEU 55 N -0.74 -1.66 -0.84 2.58 3.38 -1.32 -1.24 115.31 115.48 2qbf h LEU 55 Ca -0.01 0.20 0.16 0.00 0.09 0.00 0.00 57.88 58.32 2qbf h LEU 55 Cb 0.89 0.65 -0.16 0.00 0.09 0.00 0.00 40.66 42.13 2qbf h LEU 55 CO 0.01 -0.44 -0.24 -0.09 0.09 0.00 0.00 178.44 177.77 2qbf h ARG 56 N -0.52 -0.02 -0.40 1.13 2.43 -1.65 0.34 114.38 115.70 2qbf h ARG 56 Ca 0.04 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2qbf h ARG 56 Cb 0.63 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 2qbf h ARG 56 CO -0.44 -0.01 0.09 -0.44 -1.51 0.00 0.00 179.97 177.66 2qbf h ASP 57 N -0.02 0.04 0.63 -3.80 5.19 -1.19 -1.53 116.42 115.74 2qbf h ASP 57 Ca 0.39 0.06 -0.26 0.00 -0.62 0.00 0.00 57.03 56.59 2qbf h ASP 57 Cb 0.61 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.20 2qbf h ASP 57 CO -0.87 0.06 -1.19 -0.08 -3.12 0.00 0.00 179.24 174.04 2qbf h GLU 58 N 0.22 0.26 0.00 3.56 4.81 -0.53 -3.20 114.58 119.71 2qbf h GLU 58 Ca 0.19 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2qbf h GLU 58 Cb 0.22 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2qbf h GLU 58 CO -0.24 1.19 0.00 -0.24 -0.73 0.00 0.00 179.01 178.99 2qbf h VAL 59 N 0.08 0.00 0.00 0.32 3.04 -0.22 -2.25 116.25 117.22 2qbf h VAL 59 Ca -0.12 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2qbf h VAL 59 Cb 1.92 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 2qbf h VAL 59 CO 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.75 2qbf h ALA 60 N 2.12 1.00 -0.25 3.17 0.00 -1.27 -2.89 119.26 121.13 2qbf h ALA 60 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2qbf h ALA 60 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2qbf h ALA 60 CO 0.00 0.00 -0.14 0.87 0.00 0.00 0.00 179.25 179.98 2qbf h LYS 61 N 0.00 0.55 -7.01 0.00 1.79 -1.58 -3.44 116.57 106.87 2qbf h LYS 61 Ca 0.00 -0.25 -0.45 0.00 -2.18 0.00 0.00 60.65 57.78 2qbf h LYS 61 Cb 0.37 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2qbf h LYS 61 CO 0.00 0.81 0.33 0.12 -1.08 0.00 0.00 179.45 179.63 2qbf s PHE 62 N -4.56 3.39 0.15 -1.35 5.36 -1.09 -5.03 117.98 114.85 2qbf s PHE 62 Ca -0.13 1.63 -0.30 0.00 -0.96 0.00 0.00 56.93 57.17 2qbf s PHE 62 Cb 0.08 -2.86 -0.07 0.00 -0.34 0.00 0.00 43.02 39.83 2qbf s PHE 62 CO 0.78 -0.03 0.94 0.08 -1.46 0.00 0.00 175.22 175.53 2qbf s VAL 63 N -2.05 4.36 0.33 3.12 1.01 -1.26 -5.00 120.40 120.91 2qbf s VAL 63 Ca 0.59 2.05 0.03 0.00 0.00 0.00 0.00 61.98 64.66 2qbf s VAL 63 Cb -0.11 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2qbf s VAL 63 CO 0.15 0.38 0.12 0.68 0.00 0.00 0.00 175.10 176.44 2qbf s VAL 64 N -0.42 0.63 0.00 2.92 -7.23 -1.26 -4.71 120.40 110.34 2qbf s VAL 64 Ca 0.44 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2qbf s VAL 64 Cb -0.24 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2qbf s VAL 64 CO 0.30 0.00 0.00 -1.84 -0.31 0.00 0.00 175.10 173.25 2qbf n GLU 65 N -0.69 0.00 0.00 4.82 0.00 -1.26 -1.24 120.64 122.27 2qbf n GLU 65 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.14 2qbf n GLU 65 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.09 2qbf n GLU 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2qbf n GLY 66 N 0.00 -0.99 0.27 -1.84 0.00 -1.26 -1.35 105.19 100.01 2qbf n GLY 66 Ca 0.00 0.21 0.18 0.00 0.00 0.00 0.00 46.02 46.41 2qbf n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qbf h ASP 67 N 0.00 0.00 0.00 1.61 3.32 -1.90 -2.70 116.42 116.74 2qbf h ASP 67 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qbf h ASP 67 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qbf h ASP 67 CO 0.00 0.00 0.00 -0.11 -1.72 0.00 0.00 179.24 177.41 2qbf n LEU 68 N -2.80 0.78 -0.35 1.55 0.00 -0.37 -2.04 117.00 113.77 2qbf n LEU 68 Ca -0.02 0.32 0.29 0.00 0.00 0.00 0.00 56.01 56.60 2qbf n LEU 68 Cb 0.10 0.00 0.59 0.00 0.00 0.00 0.00 43.42 44.11 2qbf n LEU 68 CO 0.18 0.00 1.24 0.03 0.00 0.00 0.00 177.39 178.85 2qbf h ARG 69 N 0.00 0.24 0.10 1.96 3.08 -1.28 0.34 114.38 118.82 2qbf h ARG 69 Ca 0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2qbf h ARG 69 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 2qbf h ARG 69 CO 0.00 0.16 -0.28 -0.09 -1.07 0.00 0.00 179.97 178.69 2qbf h ARG 70 N 0.25 -0.47 0.04 0.04 9.65 -1.54 -2.14 114.38 120.21 2qbf h ARG 70 Ca 0.64 0.03 -0.27 0.00 -1.10 0.00 0.00 59.98 59.29 2qbf h ARG 70 Cb 1.91 0.11 0.02 0.00 -1.39 0.00 0.00 29.97 30.61 2qbf h ARG 70 CO -0.27 -0.31 -1.08 1.49 2.80 0.00 0.00 179.97 182.60 2qbf h GLU 71 N -0.49 0.59 -1.11 0.20 4.81 -0.38 -3.10 114.58 115.10 2qbf h GLU 71 Ca 0.03 -0.68 0.31 0.00 -0.13 0.00 0.00 59.36 58.89 2qbf h GLU 71 Cb 0.52 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.05 2qbf h GLU 71 CO -0.17 1.28 0.77 0.97 -0.73 0.00 0.00 179.01 181.13 2qbf h ILE 72 N 0.31 0.46 0.11 2.32 2.10 -0.24 0.15 117.51 122.72 2qbf h ILE 72 Ca -0.13 -0.04 -0.22 0.00 1.08 0.00 0.00 64.86 65.55 2qbf h ILE 72 Cb 1.74 0.34 0.01 0.00 -1.09 0.00 0.00 36.82 37.81 2qbf h ILE 72 CO 0.20 0.02 -1.05 0.28 -1.08 0.00 0.00 178.15 176.53 2qbf h SER 73 N 0.11 0.37 -0.85 2.19 0.02 -1.42 -3.32 113.55 110.65 2qbf h SER 73 Ca 0.56 -0.89 0.18 0.00 -0.84 0.00 0.00 61.79 60.80 2qbf h SER 73 Cb 1.98 -0.12 -0.16 0.00 0.14 0.00 0.00 62.40 64.24 2qbf h SER 73 CO -0.09 1.47 -0.16 0.24 -1.14 0.00 0.00 176.83 177.15 2qbf h MET 74 N -0.43 0.01 0.42 3.45 2.86 -0.65 0.14 114.93 120.73 2qbf h MET 74 Ca -0.22 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 2qbf h MET 74 Cb 1.63 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.26 2qbf h MET 74 CO 0.08 0.01 -0.50 0.66 1.06 0.00 0.00 176.91 178.22 2qbf h SER 75 N 0.01 -1.40 -0.55 1.22 4.64 -1.51 -0.71 113.55 115.26 2qbf h SER 75 Ca 0.43 0.12 0.09 0.00 -0.47 0.00 0.00 61.79 61.96 2qbf h SER 75 Cb 0.70 0.48 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 2qbf h SER 75 CO -0.85 -0.63 -0.39 0.40 -0.87 0.00 0.00 176.83 174.48 2qbf h ILE 76 N -0.94 0.13 -0.66 0.95 2.04 -1.10 0.21 117.51 118.14 2qbf h ILE 76 Ca -0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 2qbf h ILE 76 Cb 0.83 0.13 -0.13 0.00 -0.74 0.00 0.00 36.82 36.91 2qbf h ILE 76 CO -0.11 0.00 -0.27 0.50 0.00 0.00 0.00 178.15 178.28 2qbf h LYS 77 N -0.22 -0.08 0.00 2.37 3.64 -0.39 0.60 116.57 122.49 2qbf h LYS 77 Ca 0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2qbf h LYS 77 Cb 0.56 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2qbf h LYS 77 CO -0.66 -0.05 0.00 -2.13 -2.27 0.00 0.00 179.45 174.33 2qbf n ARG 78 N -5.46 0.00 0.31 1.90 0.63 0.04 0.70 116.66 114.78 2qbf n ARG 78 Ca 0.07 0.79 0.19 0.00 -0.92 0.00 0.00 57.85 57.98 2qbf n ARG 78 Cb 0.36 -1.45 1.00 0.00 0.45 0.00 0.00 32.46 32.82 2qbf n ARG 78 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 2qbf h LEU 79 N 0.00 0.00 0.14 6.15 8.10 -1.24 -2.50 115.31 125.96 2qbf h LEU 79 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 2qbf h LEU 79 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2qbf h LEU 79 CO 0.00 0.00 -0.07 -0.03 -4.11 0.00 0.00 178.44 174.23 2qbf h MET 80 N 0.00 -0.18 -2.05 0.17 4.05 0.13 -3.13 114.93 113.93 2qbf h MET 80 Ca 0.02 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2qbf h MET 80 Cb 0.33 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2qbf h MET 80 CO -0.00 -0.12 -0.04 -0.40 0.23 0.00 0.00 176.91 176.58 2qbf n ASP 81 N -3.21 4.13 0.00 1.39 3.85 0.22 -2.89 116.55 120.04 2qbf n ASP 81 Ca -0.02 -2.13 0.00 0.00 -0.71 0.00 0.00 54.79 51.93 2qbf n ASP 81 Cb 0.07 -0.92 0.00 0.00 -1.35 0.00 0.00 41.12 38.92 2qbf n ASP 81 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2qbf n LEU 82 N 1.82 2.01 0.00 -2.12 0.00 -1.03 -4.95 117.00 112.73 2qbf n LEU 82 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.08 2qbf n LEU 82 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.88 2qbf n LEU 82 CO 0.03 0.33 0.00 0.61 0.00 0.00 0.00 177.39 178.36 2qbf n GLY 83 N 2.84 0.97 3.84 -3.96 0.00 -1.14 -5.10 105.19 102.65 2qbf n GLY 83 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2qbf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbf h TYR 85 N 0.78 0.65 0.05 0.00 3.20 -1.99 -0.60 116.97 119.05 2qbf h TYR 85 Ca -0.47 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.47 2qbf h TYR 85 Cb 1.19 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 2qbf h TYR 85 CO 0.64 -0.06 -0.32 0.00 -1.64 0.00 0.00 178.16 176.78 2qbf h ARG 86 N 0.39 -0.48 0.38 1.82 3.08 -1.91 -0.95 114.38 116.70 2qbf h ARG 86 Ca 0.57 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.64 2qbf h ARG 86 Cb 1.09 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 2qbf h ARG 86 CO -0.54 -0.32 -0.25 0.78 -1.07 0.00 0.00 179.97 178.57 2qbf h GLY 87 N -0.50 -0.65 -0.52 0.04 0.00 -1.09 -2.62 103.07 97.72 2qbf h GLY 87 Ca 0.05 0.28 0.20 0.00 0.00 0.00 0.00 47.33 47.86 2qbf h GLY 87 CO -0.23 -0.25 0.03 1.41 0.00 0.00 0.00 176.54 177.50 2qbf h LEU 88 N -0.62 -0.36 -0.87 3.11 3.38 -1.10 0.32 115.31 119.18 2qbf h LEU 88 Ca -0.04 0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.24 2qbf h LEU 88 Cb 0.52 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 2qbf h LEU 88 CO 0.02 -0.22 0.52 0.03 0.09 0.00 0.00 178.44 178.89 2qbf h ARG 89 N 0.09 0.85 0.44 1.13 2.47 -0.82 -1.73 114.38 116.82 2qbf h ARG 89 Ca 0.47 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 59.12 2qbf h ARG 89 Cb 0.88 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2qbf h ARG 89 CO -0.73 0.56 -0.21 0.45 0.56 0.00 0.00 179.97 180.60 2qbf h HIS 90 N 0.88 -0.55 -0.46 3.04 3.86 -0.08 0.17 115.15 122.01 2qbf h HIS 90 Ca 0.41 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.69 2qbf h HIS 90 Cb 0.34 0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 2qbf h HIS 90 CO -0.04 -0.26 0.31 0.07 0.86 0.00 0.00 177.93 178.87 2qbf h ARG 91 N -0.74 0.28 0.00 2.45 -0.00 -1.30 0.11 114.38 115.18 2qbf h ARG 91 Ca -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.90 2qbf h ARG 91 Cb 0.53 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 30.43 2qbf h ARG 91 CO 0.10 0.19 -0.23 0.54 -0.00 0.00 0.00 179.97 180.56 2qbf n ARG 92 N -4.47 0.21 -1.33 0.08 5.12 -0.66 -4.94 116.66 110.67 2qbf n ARG 92 Ca 0.07 0.12 -0.08 0.00 -1.93 0.00 0.00 57.85 56.03 2qbf n ARG 92 Cb 0.32 -1.69 -0.03 0.00 -1.16 0.00 0.00 32.46 29.90 2qbf n ARG 92 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbf n GLY 93 N 1.36 0.86 3.92 -0.13 0.00 0.39 -5.03 105.19 106.57 2qbf n GLY 93 Ca 0.05 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 2qbf n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbf s LEU 94 N -1.77 4.17 -0.15 0.99 1.43 0.07 -3.96 118.68 119.47 2qbf s LEU 94 Ca 0.00 -0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 2qbf s LEU 94 Cb 0.00 -2.72 -0.08 0.00 0.03 0.00 0.00 46.19 43.42 2qbf s LEU 94 CO 0.00 -0.04 2.11 -0.81 0.23 0.00 0.00 176.35 177.84 2qbf n PRO 95 N -1.16 2.11 0.04 1.29 -0.04 -1.26 -4.41 135.00 131.56 2qbf n PRO 95 Ca -0.08 0.67 -0.13 0.00 -0.04 0.00 0.00 63.50 63.92 2qbf n PRO 95 Cb 0.57 -3.00 -0.01 0.00 -0.04 0.00 0.00 33.50 31.02 2qbf n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2qbf h VAL 96 N 6.51 1.36 0.00 0.52 2.07 -1.90 -3.04 116.25 121.77 2qbf h VAL 96 Ca -0.43 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 64.92 2qbf h VAL 96 Cb 1.26 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2qbf h VAL 96 CO 0.96 0.66 0.17 0.03 0.02 0.00 0.00 177.57 179.41 2qbf h ARG 97 N 0.33 0.00 -2.12 1.57 -0.00 -1.98 -3.46 114.38 108.72 2qbf h ARG 97 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 2qbf h ARG 97 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.37 2qbf h ARG 97 CO 0.14 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.52 2qbf n GLY 98 N -1.26 0.53 0.00 0.04 0.00 -1.15 -5.12 105.19 98.24 2qbf n GLY 98 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2qbf n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qbf n GLN 99 N -0.91 3.82 -3.97 1.61 3.00 -1.26 -5.10 117.38 114.57 2qbf n GLN 99 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 2qbf n GLN 99 Cb 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.45 2qbf n GLN 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2qbf s ARG 100 N 3.67 3.29 0.03 -1.09 1.70 -1.26 -4.99 118.95 120.30 2qbf s ARG 100 Ca 0.00 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 2qbf s ARG 100 Cb 0.00 -2.90 -0.26 0.00 -0.57 0.00 0.00 34.95 31.22 2qbf s ARG 100 CO 0.00 -0.19 0.97 1.79 -1.08 0.00 0.00 175.30 176.78 2qbf h THR 101 N 5.76 1.29 -1.09 4.99 1.35 -1.99 -3.31 112.91 119.90 2qbf h THR 101 Ca -0.42 -2.96 0.32 0.00 -0.55 0.00 0.00 66.41 62.79 2qbf h THR 101 Cb 1.16 2.76 -0.04 0.00 -1.73 0.00 0.00 68.15 70.29 2qbf h THR 101 CO 0.61 0.82 0.82 0.50 -0.25 0.00 0.00 175.52 178.02 2qbf h LYS 102 N 0.04 0.00 -2.36 4.72 3.64 -2.06 -3.41 116.57 117.14 2qbf h LYS 102 Ca -0.18 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 2qbf h LYS 102 Cb 1.95 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 33.57 2qbf h LYS 102 CO 0.15 0.00 0.00 0.99 -2.27 0.00 0.00 179.45 178.32 2qbf s THR 103 N -4.90 0.01 -0.02 1.00 2.01 -1.24 -5.09 115.64 107.40 2qbf s THR 103 Ca -0.05 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 2qbf s THR 103 Cb 0.22 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.89 2qbf s THR 103 CO 0.77 -0.07 0.05 0.59 -0.69 0.00 0.00 174.62 175.27 2qbf n ASN 104 N 1.56 -6.43 0.00 3.53 4.13 -1.26 -4.61 115.26 112.19 2qbf n ASN 104 Ca -0.18 1.41 0.00 0.00 1.68 0.00 0.00 54.58 57.49 2qbf n ASN 104 Cb 0.56 -4.41 0.00 0.00 -1.54 0.00 0.00 39.78 34.40 2qbf n ASN 104 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbf n ALA 105 N 1.45 0.01 -0.03 5.41 0.00 -1.26 -4.59 120.51 121.49 2qbf n ALA 105 Ca -0.08 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.58 2qbf n ALA 105 Cb 0.12 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.03 2qbf n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbf h ARG 106 N 0.00 0.00 0.05 0.00 2.47 -1.79 0.25 114.38 115.37 2qbf h ARG 106 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2qbf h ARG 106 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2qbf h ARG 106 CO 0.00 0.00 -0.02 1.15 0.56 0.00 0.00 179.97 181.66 2qbf h THR 107 N 0.00 0.00 -0.54 2.04 2.02 -1.94 -3.38 112.91 111.12 2qbf h THR 107 Ca 0.33 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2qbf h THR 107 Cb 2.27 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 2qbf h THR 107 CO -0.00 0.00 0.31 -0.09 0.37 0.00 0.00 175.52 176.10 2qbf h ARG 108 N -0.89 0.74 -6.22 6.66 9.65 -1.50 -3.44 114.38 119.38 2qbf h ARG 108 Ca -0.01 -0.08 -0.52 0.00 -1.10 0.00 0.00 59.98 58.27 2qbf h ARG 108 Cb 0.05 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 2qbf h ARG 108 CO 0.01 0.56 -0.26 -1.59 2.80 0.00 0.00 179.97 181.49 2qbf s LYS 109 N -5.91 2.37 1.15 0.20 -2.85 0.76 -4.77 119.74 110.68 2qbf s LYS 109 Ca -0.13 -1.75 -0.15 0.00 -1.00 0.00 0.00 55.97 52.94 2qbf s LYS 109 Cb 0.12 -2.36 0.26 0.00 -2.06 0.00 0.00 37.83 33.80 2qbf s LYS 109 CO 0.76 -0.56 1.06 0.20 0.10 0.00 0.00 175.35 176.90 2qbf s GLY 110 N -4.36 1.54 0.00 0.59 0.00 -1.26 -4.38 107.32 99.45 2qbf s GLY 110 Ca 0.47 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.68 2qbf s GLY 110 CO 0.29 0.25 0.00 -1.55 0.00 0.00 0.00 173.10 172.09 2qbf n PRO 111 N -4.71 0.00 -3.79 2.90 -0.04 -1.26 -4.49 135.00 123.60 2qbf n PRO 111 Ca 0.07 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 2qbf n PRO 111 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 2qbf n PRO 111 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2qbf s ARG 112 N 0.00 3.55 0.00 0.54 1.81 -1.26 -4.89 118.95 118.69 2qbf s ARG 112 Ca 0.00 -0.17 0.00 0.00 -1.72 0.00 0.00 55.73 53.84 2qbf s ARG 112 Cb 0.00 -3.04 0.00 0.00 -0.45 0.00 0.00 34.95 31.46 2qbf s ARG 112 CO 0.00 0.61 0.10 1.63 -0.68 0.00 0.00 175.30 176.96