#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2air s ASN 2 N 0.00 5.53 0.49 0.00 4.22 -0.34 -4.91 114.94 119.92 2air s ASN 2 Ca 0.00 2.18 0.30 0.00 -2.14 0.00 0.00 52.86 53.20 2air s ASN 2 Cb 0.00 -2.58 1.39 0.00 1.28 0.00 0.00 41.25 41.34 2air s ASN 2 CO 0.00 -1.35 1.78 -0.65 -2.04 0.00 0.00 177.10 174.84 2air h PRO 3 N 0.94 0.14 -0.28 3.55 0.11 -1.94 -1.24 132.00 133.28 2air h PRO 3 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2air h PRO 3 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2air h PRO 3 CO 0.56 0.09 0.00 1.28 -0.21 0.00 0.00 178.00 179.72 2air n LEU 4 N -4.36 3.29 -4.70 2.35 4.77 -1.26 -4.88 117.00 112.20 2air n LEU 4 Ca 0.26 -1.33 -0.42 0.00 -0.03 0.00 0.00 56.01 54.49 2air n LEU 4 Cb 1.12 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 42.01 2air n LEU 4 CO 0.34 0.66 1.42 0.00 -1.33 0.00 0.00 177.39 178.49 2air n TYR 5 N 1.42 2.68 -1.28 -1.77 9.36 -0.47 -1.92 117.16 125.18 2air n TYR 5 Ca 0.18 -0.05 -0.10 0.00 3.32 0.00 0.00 57.90 61.26 2air n TYR 5 Cb 0.60 -2.70 -0.04 0.00 -0.63 0.00 0.00 39.34 36.57 2air n TYR 5 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2air n GLN 6 N 4.79 -1.50 -3.23 2.98 1.13 0.94 -4.93 117.38 117.55 2air n GLN 6 Ca 0.17 0.81 -0.28 0.00 -1.94 0.00 0.00 57.00 55.75 2air n GLN 6 Cb 0.36 -5.10 -0.03 0.00 0.11 0.00 0.00 30.24 25.58 2air n GLN 6 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2air s LYS 7 N -2.69 3.64 0.08 -1.09 -0.14 -0.81 -4.74 119.74 113.99 2air s LYS 7 Ca 0.00 0.07 -0.23 0.00 -1.36 0.00 0.00 55.97 54.45 2air s LYS 7 Cb 0.00 -2.59 -0.06 0.00 -1.68 0.00 0.00 37.83 33.49 2air s LYS 7 CO 0.00 0.15 0.70 -1.01 -0.76 0.00 0.00 175.35 174.43 2air s HIS 8 N -2.18 3.79 -0.67 3.18 3.76 -1.26 -4.65 115.29 117.27 2air s HIS 8 Ca 0.45 1.43 -0.06 0.00 -0.15 0.00 0.00 55.06 56.74 2air s HIS 8 Cb -0.11 -2.70 0.17 0.00 1.11 0.00 0.00 32.58 31.06 2air s HIS 8 CO 0.31 0.42 0.51 0.42 -0.85 0.00 0.00 174.74 175.56 2air s ILE 9 N -0.62 4.16 -0.14 0.60 -1.09 -0.60 -4.89 121.20 118.62 2air s ILE 9 Ca 0.34 -2.82 -0.04 0.00 -2.23 0.00 0.00 60.65 55.90 2air s ILE 9 Cb -0.21 -3.67 -0.07 0.00 -1.58 0.00 0.00 42.46 36.93 2air s ILE 9 CO 0.22 -0.91 -0.16 -0.38 -1.23 0.00 0.00 174.94 172.48 2air n ILE 10 N 3.63 0.81 -4.64 2.92 5.41 -1.26 -0.62 119.36 125.61 2air n ILE 10 Ca 0.09 -0.25 -0.23 0.00 1.00 0.00 0.00 62.75 63.36 2air n ILE 10 Cb 0.40 -1.41 -0.16 0.00 -0.71 0.00 0.00 39.64 37.76 2air n ILE 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2air s SER 11 N -5.93 1.71 0.62 4.38 0.15 -1.26 -4.61 113.70 108.75 2air s SER 11 Ca -0.20 -0.27 0.34 0.00 0.70 0.00 0.00 55.95 56.52 2air s SER 11 Cb 0.07 -0.37 2.00 0.00 -1.71 0.00 0.00 66.02 66.01 2air s SER 11 CO 0.29 0.14 2.28 -0.29 1.20 0.00 0.00 173.24 176.85 2air h ILE 12 N 5.13 0.36 0.00 6.45 6.09 -1.94 -0.82 117.51 132.77 2air h ILE 12 Ca -0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 2air h ILE 12 Cb 1.17 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.44 2air h ILE 12 CO 0.48 0.00 0.00 0.78 -3.07 0.00 0.00 178.15 176.34 2air h ASN 13 N 0.00 0.00 0.16 2.19 4.21 -1.97 -2.42 115.58 117.75 2air h ASN 13 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2air h ASN 13 Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2air h ASN 13 CO -0.00 0.00 -0.08 0.47 -1.29 0.00 0.00 177.43 176.53 2air n ASP 14 N -2.55 0.83 -4.60 5.81 8.00 -0.31 -4.77 116.55 118.96 2air n ASP 14 Ca 0.03 -1.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.14 2air n ASP 14 Cb 0.34 -0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.35 2air n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2air s LEU 15 N -2.25 4.06 0.79 0.64 1.43 -0.91 -5.06 118.68 117.38 2air s LEU 15 Ca 0.34 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 2air s LEU 15 Cb 0.21 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 44.16 2air s LEU 15 CO 0.42 -0.16 1.12 -0.94 0.23 0.00 0.00 176.35 177.02 2air s SER 16 N 1.68 4.58 0.21 2.29 1.04 -1.26 -4.83 113.70 117.40 2air s SER 16 Ca 0.13 1.11 -0.10 0.00 0.48 0.00 0.00 55.95 57.56 2air s SER 16 Cb -0.16 -1.79 0.28 0.00 0.10 0.00 0.00 66.02 64.45 2air s SER 16 CO 0.10 -1.89 1.72 -0.09 0.98 0.00 0.00 173.24 174.07 2air h ARG 17 N -1.04 0.31 -0.58 4.02 9.65 -1.97 -0.76 114.38 124.01 2air h ARG 17 Ca -0.47 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.36 2air h ARG 17 Cb 1.29 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.77 2air h ARG 17 CO 0.62 0.21 0.22 -0.44 2.80 0.00 0.00 179.97 183.38 2air h ASP 18 N 0.32 0.78 -0.11 -3.80 3.32 -1.99 -1.24 116.42 113.70 2air h ASP 18 Ca 0.31 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2air h ASP 18 Cb 0.42 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2air h ASP 18 CO -0.35 0.71 0.07 0.44 -1.72 0.00 0.00 179.24 178.39 2air h ASP 19 N 0.84 0.14 -0.47 6.45 3.32 -1.53 0.24 116.42 125.40 2air h ASP 19 Ca 0.20 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.24 2air h ASP 19 Cb 0.19 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 2air h ASP 19 CO -0.02 0.14 0.24 -0.07 -1.72 0.00 0.00 179.24 177.82 2air h LEU 20 N 0.12 0.35 -0.45 1.55 3.38 -0.88 0.52 115.31 119.92 2air h LEU 20 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2air h LEU 20 Cb 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2air h LEU 20 CO -0.01 0.25 0.27 0.78 0.09 0.00 0.00 178.44 179.82 2air h ASN 21 N 0.48 0.54 -0.18 -0.43 2.35 -0.86 -0.23 115.58 117.25 2air h ASN 21 Ca 0.20 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2air h ASN 21 Cb 0.10 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2air h ASN 21 CO -0.14 0.44 0.09 0.25 -1.65 0.00 0.00 177.43 176.42 2air h LEU 22 N 0.59 0.14 0.01 1.61 5.85 0.11 0.32 115.31 123.94 2air h LEU 22 Ca 0.16 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2air h LEU 22 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2air h LEU 22 CO -0.03 0.11 -0.04 0.58 -0.34 0.00 0.00 178.44 178.72 2air h VAL 23 N 0.20 0.90 -0.84 1.05 2.07 -0.69 -0.73 116.25 118.20 2air h VAL 23 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2air h VAL 23 Cb 0.01 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2air h VAL 23 CO -0.04 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.95 2air h LEU 24 N -0.07 1.04 -0.27 2.57 3.38 -0.75 -0.01 115.31 121.19 2air h LEU 24 Ca 0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2air h LEU 24 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2air h LEU 24 CO -0.03 0.83 0.04 0.00 0.09 0.00 0.00 178.44 179.36 2air h ALA 25 N 1.34 0.36 -0.54 1.53 0.00 -0.13 -2.11 119.26 119.72 2air h ALA 25 Ca 0.30 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2air h ALA 25 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2air h ALA 25 CO -0.05 0.05 0.34 1.15 0.00 0.00 0.00 179.25 180.74 2air h THR 26 N 0.27 1.10 -0.78 0.00 2.02 -0.80 -1.86 112.91 112.86 2air h THR 26 Ca 0.08 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 67.08 2air h THR 26 Cb 0.34 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 2air h THR 26 CO 0.01 0.13 0.47 0.00 0.37 0.00 0.00 175.52 176.49 2air h ALA 27 N 1.21 1.06 -0.54 6.16 0.00 -0.83 -0.60 119.26 125.73 2air h ALA 27 Ca 0.21 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2air h ALA 27 Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2air h ALA 27 CO -0.06 0.19 -0.07 0.00 0.00 0.00 0.00 179.25 179.30 2air h ALA 28 N 1.38 0.73 -0.59 0.00 0.00 -0.97 -1.79 119.26 118.03 2air h ALA 28 Ca 0.34 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2air h ALA 28 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2air h ALA 28 CO -0.17 0.62 0.19 0.87 0.00 0.00 0.00 179.25 180.76 2air h LYS 29 N 0.88 0.90 0.00 0.00 1.57 -0.70 -1.32 116.57 117.89 2air h LYS 29 Ca 0.14 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2air h LYS 29 Cb 0.63 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2air h LYS 29 CO 0.04 0.80 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.26 2air h LEU 30 N 0.82 0.00 -0.46 2.94 3.38 -1.06 -0.73 115.31 120.20 2air h LEU 30 Ca 0.19 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 2air h LEU 30 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2air h LEU 30 CO -0.01 0.40 -0.64 0.50 0.09 0.00 0.00 178.44 178.78 2air h LYS 31 N 0.00 0.48 0.08 1.13 3.64 -0.81 -2.99 116.57 118.09 2air h LYS 31 Ca -0.00 -0.34 -0.25 0.00 -1.27 0.00 0.00 60.65 58.78 2air h LYS 31 Cb 0.84 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2air h LYS 31 CO 0.05 0.96 -1.19 0.00 -2.27 0.00 0.00 179.45 177.01 2air h ALA 32 N 0.95 0.22 -2.43 5.00 0.00 -1.00 -3.42 119.26 118.58 2air h ALA 32 Ca -0.01 -0.93 -0.47 0.00 0.00 0.00 0.00 54.91 53.50 2air h ALA 32 Cb 1.20 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 18.60 2air h ALA 32 CO 0.11 1.11 -0.75 -0.80 0.00 0.00 0.00 179.25 178.92 2air s ASN 33 N -6.94 2.52 0.65 0.00 0.01 -0.30 -5.11 114.94 105.76 2air s ASN 33 Ca -0.03 -1.47 -0.18 0.00 -0.71 0.00 0.00 52.86 50.48 2air s ASN 33 Cb 0.08 0.00 -0.01 0.00 0.41 0.00 0.00 41.25 41.73 2air s ASN 33 CO 0.86 -0.36 1.23 -2.65 -1.51 0.00 0.00 177.10 174.66 2air n PRO 34 N 4.75 1.04 -3.57 -0.60 -0.02 -1.13 -4.41 135.00 131.05 2air n PRO 34 Ca 0.03 0.41 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 2air n PRO 34 Cb 0.42 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 2air n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2air n GLN 35 N -1.78 0.93 0.12 -0.52 6.02 -1.26 -5.00 117.38 115.89 2air n GLN 35 Ca 0.16 -3.73 0.08 0.00 -0.01 0.00 0.00 57.00 53.49 2air n GLN 35 Cb 0.48 -1.90 0.40 0.00 1.02 0.00 0.00 30.24 30.24 2air n GLN 35 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2air n PRO 36 N 2.34 0.10 0.00 -1.09 -0.02 -1.24 -2.60 135.00 132.48 2air n PRO 36 Ca 0.26 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2air n PRO 36 Cb 0.43 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2air n PRO 36 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2air n GLU 37 N -2.02 1.74 -0.28 -0.52 -0.58 -1.26 -2.06 120.64 115.66 2air n GLU 37 Ca -0.01 -1.15 0.07 0.00 -0.42 0.00 0.00 57.16 55.65 2air n GLU 37 Cb 0.07 -0.95 0.21 0.00 -0.57 0.00 0.00 31.44 30.20 2air n GLU 37 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2air h LEU 38 N 0.00 0.43 -3.39 -4.62 5.85 -1.35 -1.94 115.31 110.29 2air h LEU 38 Ca 0.00 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2air h LEU 38 Cb 0.41 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2air h LEU 38 CO 0.00 0.17 0.04 0.18 -0.34 0.00 0.00 178.44 178.49 2air n LEU 39 N -4.93 4.40 -0.08 2.25 4.77 0.18 -4.88 117.00 118.72 2air n LEU 39 Ca 0.16 -3.31 -0.02 0.00 -0.03 0.00 0.00 56.01 52.81 2air n LEU 39 Cb 0.43 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2air n LEU 39 CO 0.20 0.89 0.15 1.17 -1.33 0.00 0.00 177.39 178.47 2air n LYS 40 N -0.68 -0.08 -0.48 3.23 4.81 -0.73 -0.35 118.16 123.88 2air n LYS 40 Ca 0.30 0.40 0.05 0.00 -0.87 0.00 0.00 58.31 58.19 2air n LYS 40 Cb 1.04 -0.60 0.24 0.00 0.02 0.00 0.00 35.03 35.74 2air n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2air n HIS 41 N -3.56 1.13 -3.25 5.64 8.25 -1.26 -4.46 115.22 117.71 2air n HIS 41 Ca 0.00 -0.42 -0.32 0.00 -0.26 0.00 0.00 57.72 56.73 2air n HIS 41 Cb 0.05 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 30.84 2air n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2air s LYS 42 N -1.91 3.87 -0.13 -0.41 -0.14 0.53 -4.98 119.74 116.56 2air s LYS 42 Ca 0.34 0.43 0.00 0.00 -1.36 0.00 0.00 55.97 55.38 2air s LYS 42 Cb 0.24 -2.54 0.02 0.00 -1.68 0.00 0.00 37.83 33.87 2air s LYS 42 CO 0.13 0.22 -0.12 0.08 -0.76 0.00 0.00 175.35 174.90 2air s VAL 43 N -1.95 1.39 -0.02 3.17 1.01 -1.26 -1.09 120.40 121.65 2air s VAL 43 Ca 0.50 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2air s VAL 43 Cb -0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2air s VAL 43 CO 0.21 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.96 2air s ILE 44 N 1.50 3.06 -0.21 2.22 1.01 0.50 -0.84 121.20 128.44 2air s ILE 44 Ca 0.04 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 2air s ILE 44 Cb -0.13 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2air s ILE 44 CO -0.09 0.52 0.27 0.00 0.00 0.00 0.00 174.94 175.63 2air s ALA 45 N -0.80 3.60 -0.59 9.38 0.00 -0.26 -1.73 121.76 131.36 2air s ALA 45 Ca 0.13 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 2air s ALA 45 Cb -0.11 -2.43 0.15 0.00 0.00 0.00 0.00 23.12 20.74 2air s ALA 45 CO 0.02 -0.13 0.47 0.45 0.00 0.00 0.00 175.76 176.57 2air s SER 46 N 0.86 5.88 -0.70 0.00 0.15 0.91 -0.93 113.70 119.86 2air s SER 46 Ca 0.13 -2.29 -0.10 0.00 0.70 0.00 0.00 55.95 54.39 2air s SER 46 Cb -0.14 -2.04 0.18 0.00 -1.71 0.00 0.00 66.02 62.32 2air s SER 46 CO 0.05 -0.61 0.60 0.00 1.20 0.00 0.00 173.24 174.48 2air s PHE 48 N 0.36 3.55 0.43 0.00 0.40 0.17 -1.28 117.98 121.61 2air s PHE 48 Ca 0.15 -1.77 0.21 0.00 -0.60 0.00 0.00 56.93 54.91 2air s PHE 48 Cb -0.17 -3.94 1.21 0.00 0.51 0.00 0.00 43.02 40.63 2air s PHE 48 CO -0.05 -1.12 2.02 0.74 0.70 0.00 0.00 175.22 177.50 2air h PHE 49 N 8.14 0.00 -3.23 0.36 0.04 -1.17 -0.72 116.94 120.36 2air h PHE 49 Ca 0.08 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.18 2air h PHE 49 Cb 1.04 0.00 -0.33 0.00 2.20 0.00 0.00 35.95 38.86 2air h PHE 49 CO 1.04 0.17 -0.86 -2.00 -0.60 0.00 0.00 178.31 176.06 2air s GLU 50 N -4.39 3.06 0.33 1.51 2.12 -1.18 -4.25 118.70 115.89 2air s GLU 50 Ca -0.03 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.16 2air s GLU 50 Cb 0.14 -2.44 -0.11 0.00 0.26 0.00 0.00 34.13 31.98 2air s GLU 50 CO 0.64 0.02 1.51 0.00 -0.54 0.00 0.00 175.26 176.89 2air s ALA 51 N 0.74 3.64 -0.48 6.30 0.00 -1.26 -4.78 121.76 125.93 2air s ALA 51 Ca -0.09 1.52 0.05 0.00 0.00 0.00 0.00 51.96 53.45 2air s ALA 51 Cb -0.16 -3.61 0.23 0.00 0.00 0.00 0.00 23.12 19.58 2air s ALA 51 CO -0.00 -0.96 0.88 0.45 0.00 0.00 0.00 175.76 176.13 2air n SER 52 N 1.36 -2.87 -0.31 0.00 2.88 -1.26 -5.06 113.62 108.36 2air n SER 52 Ca 0.04 -2.92 -0.01 0.00 -1.33 0.00 0.00 58.87 54.65 2air n SER 52 Cb 0.39 1.66 0.05 0.00 -0.75 0.00 0.00 64.21 65.55 2air n SER 52 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2air h THR 53 N 3.47 0.08 0.37 2.46 2.02 -1.97 0.18 112.91 119.52 2air h THR 53 Ca -0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2air h THR 53 Cb 1.08 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2air h THR 53 CO 0.16 0.00 -0.18 -0.09 0.37 0.00 0.00 175.52 175.78 2air h ARG 54 N -0.05 -0.47 0.00 6.66 2.43 -1.99 0.12 114.38 121.08 2air h ARG 54 Ca 0.33 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.47 2air h ARG 54 Cb 0.60 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2air h ARG 54 CO -0.87 -0.26 -0.28 0.00 -1.51 0.00 0.00 179.97 177.05 2air h THR 55 N -0.59 0.78 0.09 0.20 1.03 -1.95 -1.10 112.91 111.37 2air h THR 55 Ca -0.05 -1.19 -0.00 0.00 -0.01 0.00 0.00 66.41 65.16 2air h THR 55 Cb 0.44 1.74 0.00 0.00 -1.07 0.00 0.00 68.15 69.26 2air h THR 55 CO 0.08 0.28 -0.04 -0.09 -0.01 0.00 0.00 175.52 175.74 2air h ARG 56 N 0.00 -0.12 -0.44 0.00 2.43 -0.41 -0.63 114.38 115.21 2air h ARG 56 Ca -0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2air h ARG 56 Cb 0.72 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 2air h ARG 56 CO 0.04 0.33 0.24 -0.07 -1.51 0.00 0.00 179.97 178.99 2air h LEU 57 N -0.62 0.53 -0.31 3.80 3.38 -0.63 0.87 115.31 122.33 2air h LEU 57 Ca -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2air h LEU 57 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2air h LEU 57 CO 0.02 0.44 0.02 -1.28 0.09 0.00 0.00 178.44 177.72 2air h SER 58 N 0.61 0.52 -0.13 -0.43 0.87 -1.12 -0.43 113.55 113.45 2air h SER 58 Ca 0.16 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2air h SER 58 Cb 0.03 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2air h SER 58 CO -0.03 0.69 0.03 -0.26 -0.53 0.00 0.00 176.83 176.74 2air h PHE 59 N 0.34 0.21 -0.37 2.24 0.04 -0.52 -2.32 116.94 116.56 2air h PHE 59 Ca 0.09 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 2air h PHE 59 Cb 0.41 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2air h PHE 59 CO 0.03 0.35 -0.01 0.93 -0.60 0.00 0.00 178.31 179.01 2air h GLU 60 N 0.01 0.58 -0.58 1.51 5.08 -0.78 -2.07 114.58 118.32 2air h GLU 60 Ca 0.04 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2air h GLU 60 Cb 0.24 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2air h GLU 60 CO -0.00 0.61 0.00 1.15 -1.00 0.00 0.00 179.01 179.77 2air h THR 61 N 0.55 1.27 -0.56 1.13 2.02 -1.01 -1.84 112.91 114.46 2air h THR 61 Ca 0.12 -1.13 0.04 0.00 0.77 0.00 0.00 66.41 66.20 2air h THR 61 Cb 0.37 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 2air h THR 61 CO 0.01 0.41 0.31 0.28 0.37 0.00 0.00 175.52 176.90 2air h SER 62 N 0.91 0.46 0.04 4.18 0.02 -0.87 -0.27 113.55 118.04 2air h SER 62 Ca 0.16 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2air h SER 62 Cb 0.55 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2air h SER 62 CO 0.03 0.31 -0.07 0.24 -1.14 0.00 0.00 176.83 176.20 2air h MET 63 N 0.59 -0.14 -0.56 3.45 2.07 -0.95 -2.85 114.93 116.54 2air h MET 63 Ca 0.24 0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.85 2air h MET 63 Cb 0.12 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.86 2air h MET 63 CO -0.15 -0.09 0.20 0.45 1.07 0.00 0.00 176.91 178.38 2air h HIS 64 N -0.15 0.83 0.00 -0.22 3.86 -0.98 -1.88 115.15 116.61 2air h HIS 64 Ca 0.01 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2air h HIS 64 Cb 0.16 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.38 2air h HIS 64 CO -0.12 0.66 0.00 0.00 0.86 0.00 0.00 177.93 179.33 2air h ARG 65 N 0.81 0.00 -0.34 2.45 2.47 -0.83 0.46 114.38 119.40 2air h ARG 65 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2air h ARG 65 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2air h ARG 65 CO -0.01 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.80 2air n LEU 66 N -2.56 3.29 0.00 3.04 4.77 -0.76 -3.65 117.00 121.13 2air n LEU 66 Ca -0.00 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 2air n LEU 66 Cb 0.15 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2air n LEU 66 CO 0.18 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2air n GLY 67 N 1.34 1.16 3.82 -0.72 0.00 0.15 0.49 105.19 111.42 2air n GLY 67 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2air n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2air s ALA 68 N -3.36 2.58 0.22 4.61 0.00 -0.91 -4.04 121.76 120.85 2air s ALA 68 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.97 2air s ALA 68 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2air s ALA 68 CO 0.00 -1.35 0.38 -1.12 0.00 0.00 0.00 175.76 173.67 2air s SER 69 N -3.84 6.35 -0.04 0.00 0.01 -0.25 -4.24 113.70 111.69 2air s SER 69 Ca 0.59 0.29 0.02 0.00 1.31 0.00 0.00 55.95 58.16 2air s SER 69 Cb -0.14 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.14 2air s SER 69 CO 0.55 -0.06 -0.09 -0.69 0.41 0.00 0.00 173.24 173.36 2air s VAL 70 N -1.92 0.79 0.16 3.43 1.01 -1.26 -0.37 120.40 122.24 2air s VAL 70 Ca 0.37 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2air s VAL 70 Cb -0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2air s VAL 70 CO 0.30 0.26 -0.14 0.68 0.00 0.00 0.00 175.10 176.20 2air s VAL 71 N 0.47 1.49 -3.87 2.92 -7.23 -0.71 -4.97 120.40 108.50 2air s VAL 71 Ca -0.08 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 2air s VAL 71 Cb -0.12 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.02 2air s VAL 71 CO 0.01 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 2air n GLY 72 N 0.04 -1.19 3.58 2.32 0.00 -1.26 -0.06 105.19 108.61 2air n GLY 72 Ca -0.11 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 2air n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2air s PHE 73 N -3.00 -0.53 -0.85 1.61 -0.12 -0.62 -4.96 117.98 109.51 2air s PHE 73 Ca 0.00 1.07 0.01 0.00 -0.05 0.00 0.00 56.93 57.96 2air s PHE 73 Cb 0.00 0.39 0.26 0.00 -0.63 0.00 0.00 43.02 43.05 2air s PHE 73 CO 0.00 -0.40 1.02 0.45 -0.05 0.00 0.00 175.22 176.24 2air n SER 74 N 1.37 4.81 -1.76 1.98 2.88 -1.25 0.46 113.62 122.11 2air n SER 74 Ca -0.14 -3.37 0.00 0.00 -1.33 0.00 0.00 58.87 54.03 2air n SER 74 Cb 0.57 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2air n SER 74 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2air n ASP 75 N 1.30 0.42 -2.60 -3.46 5.75 -0.28 -4.52 116.55 113.17 2air n ASP 75 Ca 0.27 -0.92 -0.06 0.00 -0.01 0.00 0.00 54.79 54.07 2air n ASP 75 Cb 0.37 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 2air n ASP 75 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2air n SER 76 N 1.75 1.72 -0.64 -1.12 2.88 -1.26 -3.95 113.62 113.01 2air n SER 76 Ca 0.00 -1.89 -0.04 0.00 -1.33 0.00 0.00 58.87 55.61 2air n SER 76 Cb 0.04 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2air n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2air n ALA 77 N 3.43 -0.14 -2.75 -1.46 0.00 -1.26 -4.97 120.51 113.35 2air n ALA 77 Ca 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 2air n ALA 77 Cb 0.19 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.72 2air n ALA 77 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2air n ASN 78 N 1.12 0.30 -3.80 0.00 0.23 -1.25 -5.10 115.26 106.76 2air n ASN 78 Ca -0.02 -2.23 -0.10 0.00 -0.53 0.00 0.00 54.58 51.69 2air n ASN 78 Cb 0.52 0.01 -0.07 0.00 -2.08 0.00 0.00 39.78 38.16 2air n ASN 78 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2air s THR 79 N -2.14 0.11 0.00 5.53 -4.23 -1.26 -4.89 115.64 108.76 2air s THR 79 Ca 0.21 -0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 59.84 2air s THR 79 Cb 0.39 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 2air s THR 79 CO -0.06 -0.48 1.36 -1.54 -0.54 0.00 0.00 174.62 173.36 2air n SER 80 N 0.37 2.68 -4.28 3.99 3.41 -1.26 -4.87 113.62 113.66 2air n SER 80 Ca -0.17 -1.80 -0.40 0.00 -0.26 0.00 0.00 58.87 56.23 2air n SER 80 Cb 0.60 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2air n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2air n LEU 81 N 2.08 -3.11 -4.54 1.04 -0.00 -1.26 -4.64 117.00 106.56 2air n LEU 81 Ca 0.07 0.73 -0.45 0.00 -0.00 0.00 0.00 56.01 56.37 2air n LEU 81 Cb 0.32 -0.88 -0.04 0.00 -0.00 0.00 0.00 43.42 42.82 2air n LEU 81 CO 0.06 -4.44 1.87 0.61 -0.00 0.00 0.00 177.39 175.48 2air n GLY 82 N 2.40 0.74 3.11 1.47 0.00 -1.26 -4.66 105.19 106.99 2air n GLY 82 Ca 0.10 0.82 -0.17 0.00 0.00 0.00 0.00 46.02 46.77 2air n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2air n LYS 83 N 8.62 0.00 -2.24 1.61 5.02 -1.26 -3.34 118.16 126.57 2air n LYS 83 Ca 0.35 -0.51 -0.08 0.00 -2.02 0.00 0.00 58.31 56.05 2air n LYS 83 Cb 0.38 -1.83 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 2air n LYS 83 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2air n LYS 84 N 5.43 -2.27 0.00 1.97 4.81 -1.26 -4.75 118.16 122.10 2air n LYS 84 Ca 0.18 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2air n LYS 84 Cb 0.21 -4.87 0.00 0.00 0.02 0.00 0.00 35.03 30.39 2air n LYS 84 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2air n GLY 85 N -0.59 -0.06 3.66 3.14 0.00 -1.21 -5.02 105.19 105.12 2air n GLY 85 Ca -0.09 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.46 2air n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2air n GLU 86 N -2.37 2.06 -1.51 1.61 2.13 -1.26 -4.96 120.64 116.34 2air n GLU 86 Ca 0.00 0.74 -0.31 0.00 0.66 0.00 0.00 57.16 58.25 2air n GLU 86 Cb 0.00 -2.50 0.06 0.00 0.27 0.00 0.00 31.44 29.27 2air n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2air s THR 87 N 1.05 3.85 0.30 6.31 -4.23 -1.26 -4.78 115.64 116.89 2air s THR 87 Ca 0.80 0.60 0.02 0.00 -1.18 0.00 0.00 61.69 61.93 2air s THR 87 Cb -0.71 -3.29 0.13 0.00 1.34 0.00 0.00 72.50 69.98 2air s THR 87 CO 0.39 -0.78 1.82 0.25 -0.54 0.00 0.00 174.62 175.76 2air h LEU 88 N -0.82 0.58 0.00 4.79 5.85 -1.99 -2.18 115.31 121.54 2air h LEU 88 Ca -0.44 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.18 2air h LEU 88 Cb 1.22 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2air h LEU 88 CO 0.56 0.67 -0.28 0.00 -0.34 0.00 0.00 178.44 179.04 2air h ALA 89 N 1.40 -0.40 -0.91 1.25 0.00 -1.93 -0.53 119.26 118.13 2air h ALA 89 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2air h ALA 89 Cb 0.40 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2air h ALA 89 CO 0.02 -0.79 0.60 -0.44 0.00 0.00 0.00 179.25 178.64 2air h ASP 90 N -0.43 1.04 -0.56 0.00 3.32 -1.87 0.17 116.42 118.09 2air h ASP 90 Ca 0.06 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2air h ASP 90 Cb 0.52 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2air h ASP 90 CO -0.24 0.75 0.33 0.74 -1.72 0.00 0.00 179.24 179.09 2air h THR 91 N 1.22 1.05 -0.40 0.35 2.02 -0.77 -2.14 112.91 114.24 2air h THR 91 Ca 0.34 -0.22 -0.15 0.00 0.77 0.00 0.00 66.41 67.14 2air h THR 91 Cb -0.12 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2air h THR 91 CO -0.08 0.12 -0.33 0.40 0.37 0.00 0.00 175.52 176.00 2air h ILE 92 N 0.65 1.27 0.00 3.11 1.08 -0.59 -0.86 117.51 122.18 2air h ILE 92 Ca 0.23 -1.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.18 2air h ILE 92 Cb 0.04 1.31 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 2air h ILE 92 CO -0.11 0.50 -0.07 0.28 -0.69 0.00 0.00 178.15 178.07 2air h SER 93 N 0.76 0.00 0.00 1.72 0.02 -0.73 0.38 113.55 115.71 2air h SER 93 Ca 0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2air h SER 93 Cb 0.91 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2air h SER 93 CO 0.08 0.07 -0.28 0.58 -1.14 0.00 0.00 176.83 176.14 2air h VAL 94 N 0.00 0.61 -0.75 2.27 2.07 -1.15 -3.37 116.25 115.94 2air h VAL 94 Ca -0.00 -1.53 0.06 0.00 0.82 0.00 0.00 66.70 66.05 2air h VAL 94 Cb 0.15 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2air h VAL 94 CO 0.01 0.21 0.49 0.40 0.02 0.00 0.00 177.57 178.70 2air h ILE 95 N -1.00 1.03 0.00 4.57 2.04 -0.98 -1.00 117.51 122.16 2air h ILE 95 Ca -0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2air h ILE 95 Cb 0.56 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2air h ILE 95 CO -0.03 0.15 0.00 -1.54 0.00 0.00 0.00 178.15 176.72 2air n SER 96 N -4.48 0.00 0.01 1.72 3.41 0.13 -1.37 113.62 113.04 2air n SER 96 Ca 0.11 0.25 0.11 0.00 -0.26 0.00 0.00 58.87 59.08 2air n SER 96 Cb 0.22 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 2air n SER 96 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2air n THR 97 N -1.34 0.07 -0.05 6.66 -2.24 -0.38 -4.48 114.28 112.53 2air n THR 97 Ca 0.03 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 2air n THR 97 Cb 0.07 0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 68.63 2air n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2air n TYR 98 N -1.80 0.94 -4.00 4.78 4.01 -0.47 -5.04 117.16 115.58 2air n TYR 98 Ca 0.02 0.24 -0.26 0.00 -0.16 0.00 0.00 57.90 57.74 2air n TYR 98 Cb 0.41 -1.12 -0.03 0.00 -0.31 0.00 0.00 39.34 38.30 2air n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2air s VAL 99 N -2.51 1.78 -0.42 -0.72 -7.23 -1.15 -5.00 120.40 105.14 2air s VAL 99 Ca -0.27 -1.57 0.22 0.00 -1.81 0.00 0.00 61.98 58.55 2air s VAL 99 Cb 0.07 -2.34 -0.25 0.00 0.56 0.00 0.00 36.38 34.42 2air s VAL 99 CO 0.69 0.00 0.73 0.47 -0.31 0.00 0.00 175.10 176.68 2air n ASP 100 N -1.61 0.44 -3.55 4.85 8.00 -0.02 -4.90 116.55 119.76 2air n ASP 100 Ca -0.03 -0.30 -0.17 0.00 0.71 0.00 0.00 54.79 54.99 2air n ASP 100 Cb 0.64 1.41 -0.06 0.00 -0.02 0.00 0.00 41.12 43.09 2air n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2air s ALA 101 N -3.30 -1.68 -0.17 2.24 0.00 -1.24 -4.23 121.76 113.37 2air s ALA 101 Ca -0.01 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.27 2air s ALA 101 Cb 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2air s ALA 101 CO 0.87 -0.36 -0.14 0.42 0.00 0.00 0.00 175.76 176.56 2air s ILE 102 N -1.02 1.65 -0.24 0.00 1.01 -0.12 -1.10 121.20 121.38 2air s ILE 102 Ca -0.10 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 2air s ILE 102 Cb -0.01 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 2air s ILE 102 CO 0.08 0.39 0.06 -0.69 0.00 0.00 0.00 174.94 174.79 2air s VAL 103 N 1.44 4.26 0.01 2.92 1.01 -0.11 0.14 120.40 130.06 2air s VAL 103 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2air s VAL 103 Cb -0.14 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2air s VAL 103 CO -0.10 0.36 -0.08 0.00 0.00 0.00 0.00 175.10 175.27 2air s MET 104 N 1.49 0.61 -0.07 2.72 0.00 -0.75 -0.14 119.30 123.15 2air s MET 104 Ca 0.06 -0.42 0.04 0.00 0.00 0.00 0.00 55.69 55.36 2air s MET 104 Cb -0.15 -0.55 -0.02 0.00 0.00 0.00 0.00 34.83 34.11 2air s MET 104 CO 0.03 0.14 -0.18 0.50 0.00 0.00 0.00 175.02 175.51 2air s ARG 105 N -0.58 2.77 0.02 3.16 3.00 -0.41 0.07 118.95 126.97 2air s ARG 105 Ca -0.00 -0.77 -0.09 0.00 -1.00 0.00 0.00 55.73 53.86 2air s ARG 105 Cb -0.05 -2.37 0.01 0.00 0.00 0.00 0.00 34.95 32.54 2air s ARG 105 CO 0.00 0.42 0.19 -1.58 0.00 0.00 0.00 175.30 174.33 2air s HIS 106 N -0.21 0.01 0.12 5.12 5.65 -0.24 -0.77 115.29 124.97 2air s HIS 106 Ca -0.01 -0.13 0.14 0.00 0.25 0.00 0.00 55.06 55.32 2air s HIS 106 Cb -0.13 -0.02 0.35 0.00 -1.18 0.00 0.00 32.58 31.60 2air s HIS 106 CO 0.03 -0.36 1.58 -1.35 -0.65 0.00 0.00 174.74 173.99 2air h PRO 107 N 3.86 0.00 -5.94 2.88 0.11 -1.89 -1.32 132.00 129.70 2air h PRO 107 Ca -0.31 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.19 2air h PRO 107 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 2air h PRO 107 CO 0.44 0.55 -0.22 -0.65 -0.21 0.00 0.00 178.00 177.90 2air s GLN 108 N -3.35 3.93 0.22 1.05 -0.21 -1.26 -3.35 119.66 116.69 2air s GLN 108 Ca 0.01 0.36 -0.30 0.00 0.02 0.00 0.00 55.36 55.45 2air s GLN 108 Cb 0.11 -3.25 -0.09 0.00 1.00 0.00 0.00 33.01 30.78 2air s GLN 108 CO 0.74 0.63 1.37 -1.21 -2.12 0.00 0.00 175.29 174.70 2air s GLU 109 N -0.87 4.33 0.00 2.91 8.01 -1.25 -2.63 118.70 129.20 2air s GLU 109 Ca 0.23 2.17 0.00 0.00 0.01 0.00 0.00 54.97 57.38 2air s GLU 109 Cb -0.16 -3.15 0.00 0.00 -4.31 0.00 0.00 34.13 26.50 2air s GLU 109 CO 0.12 -0.34 0.00 0.41 0.01 0.00 0.00 175.26 175.46 2air n GLY 110 N 2.33 0.96 0.35 -1.39 0.00 -1.26 -4.98 105.19 101.19 2air n GLY 110 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2air n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2air h ALA 111 N 0.00 -0.30 -0.68 4.61 0.00 -1.85 -0.51 119.26 120.53 2air h ALA 111 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2air h ALA 111 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2air h ALA 111 CO 0.00 -0.78 0.45 0.00 0.00 0.00 0.00 179.25 178.92 2air h ALA 112 N 0.56 1.56 -0.18 0.00 0.00 -1.92 -0.16 119.26 119.11 2air h ALA 112 Ca 0.14 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2air h ALA 112 Cb 0.55 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2air h ALA 112 CO -0.48 0.39 -0.51 -0.09 0.00 0.00 0.00 179.25 178.56 2air h ARG 113 N 0.88 0.51 -0.45 0.00 2.43 -1.75 -2.47 114.38 113.53 2air h ARG 113 Ca 0.26 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 2air h ARG 113 Cb -0.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2air h ARG 113 CO -0.06 0.90 -0.09 1.25 -1.51 0.00 0.00 179.97 180.46 2air h LEU 114 N 0.40 0.85 -1.26 3.80 6.46 -0.40 -2.72 115.31 122.44 2air h LEU 114 Ca 0.02 -0.35 0.08 0.00 -0.12 0.00 0.00 57.88 57.50 2air h LEU 114 Cb 1.03 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.67 2air h LEU 114 CO 0.09 1.01 0.54 0.00 -0.62 0.00 0.00 178.44 179.46 2air h ALA 115 N 0.88 1.65 -0.69 1.25 0.00 -0.85 -1.36 119.26 120.13 2air h ALA 115 Ca 0.12 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.16 2air h ALA 115 Cb 0.62 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2air h ALA 115 CO 0.04 0.21 0.47 0.00 0.00 0.00 0.00 179.25 179.97 2air h THR 116 N 0.86 0.79 -0.00 0.00 1.03 -1.11 0.14 112.91 114.61 2air h THR 116 Ca 0.37 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.66 2air h THR 116 Cb 0.32 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 67.84 2air h THR 116 CO -0.14 0.06 -0.11 -0.62 -0.01 0.00 0.00 175.52 174.70 2air n GLU 117 N -4.45 0.77 0.00 0.00 1.02 -0.51 -3.87 120.64 113.59 2air n GLU 117 Ca 0.13 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2air n GLU 117 Cb 0.54 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 2air n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2air n PHE 118 N -0.86 0.00 -2.39 -0.32 3.72 -0.13 -5.03 117.46 112.44 2air n PHE 118 Ca 0.15 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.23 2air n PHE 118 Cb 0.28 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 2air n PHE 118 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2air s SER 119 N -0.94 6.58 -0.63 4.37 1.04 -0.23 -4.16 113.70 119.73 2air s SER 119 Ca 0.00 1.52 -0.04 0.00 0.48 0.00 0.00 55.95 57.91 2air s SER 119 Cb 0.00 -2.49 0.16 0.00 0.10 0.00 0.00 66.02 63.79 2air s SER 119 CO 0.00 -0.60 0.45 -0.83 0.98 0.00 0.00 173.24 173.25 2air s GLY 120 N -3.18 2.48 0.00 7.32 0.00 -1.26 -4.55 107.32 108.13 2air s GLY 120 Ca 0.58 -3.20 0.00 0.00 0.00 0.00 0.00 44.72 42.10 2air s GLY 120 CO 0.33 1.11 0.00 0.70 0.00 0.00 0.00 173.10 175.24 2air n ASN 121 N 3.64 0.00 -4.62 1.64 3.02 -1.26 -4.90 115.26 112.78 2air n ASN 121 Ca 0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 2air n ASN 121 Cb 0.39 -2.07 -0.06 0.00 -0.61 0.00 0.00 39.78 37.43 2air n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2air s VAL 122 N -1.48 4.88 0.35 2.41 1.01 -1.26 -5.03 120.40 121.28 2air s VAL 122 Ca 0.00 1.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.85 2air s VAL 122 Cb 0.00 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 2air s VAL 122 CO 0.00 -0.13 1.27 -2.84 0.00 0.00 0.00 175.10 173.39 2air s PRO 123 N 2.75 4.29 -0.14 2.72 0.02 -1.26 -4.79 135.00 138.58 2air s PRO 123 Ca 0.30 2.11 -0.01 0.00 0.02 0.00 0.00 61.00 63.42 2air s PRO 123 Cb -0.15 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.38 2air s PRO 123 CO 0.11 -0.21 -0.12 0.14 -0.33 0.00 0.00 177.00 176.59 2air s VAL 124 N -1.20 3.09 -0.21 3.83 -7.23 -1.26 -0.95 120.40 116.48 2air s VAL 124 Ca 0.51 -0.64 -0.04 0.00 -1.81 0.00 0.00 61.98 60.00 2air s VAL 124 Cb -0.37 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 2air s VAL 124 CO 0.49 0.51 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.98 2air s LEU 125 N 0.50 2.90 -0.27 1.32 1.02 0.12 -1.56 118.68 122.71 2air s LEU 125 Ca -0.08 -0.37 -0.29 0.00 0.02 0.00 0.00 54.13 53.41 2air s LEU 125 Cb -0.16 -1.73 -0.00 0.00 0.02 0.00 0.00 46.19 44.32 2air s LEU 125 CO 0.04 0.01 1.30 0.21 0.02 0.00 0.00 176.35 177.93 2air s ASN 126 N 1.31 6.72 0.00 2.29 2.47 0.21 -1.81 114.94 126.13 2air s ASN 126 Ca 0.04 1.30 0.18 0.00 0.42 0.00 0.00 52.86 54.80 2air s ASN 126 Cb -0.14 -2.54 0.51 0.00 -1.45 0.00 0.00 41.25 37.62 2air s ASN 126 CO -0.02 -1.02 1.42 0.00 -3.72 0.00 0.00 177.10 173.76 2air n ALA 127 N 7.46 2.42 0.00 1.71 0.00 0.11 -4.33 120.51 127.87 2air n ALA 127 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2air n ALA 127 Cb 0.46 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2air n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2air n GLY 128 N 1.38 3.88 2.67 0.00 0.00 -1.24 -4.76 105.19 107.13 2air n GLY 128 Ca 0.19 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2air n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2air s ASP 129 N 0.00 3.56 1.22 1.61 -4.77 -0.95 -1.08 116.67 116.26 2air s ASP 129 Ca 0.00 -2.49 0.00 0.00 -3.30 0.00 0.00 52.55 46.76 2air s ASP 129 Cb 0.00 -0.92 0.00 0.00 -1.09 0.00 0.00 42.92 40.91 2air s ASP 129 CO 0.00 -0.28 0.00 0.61 0.70 0.00 0.00 175.17 176.20 2air n GLY 130 N 3.71 2.86 1.80 2.12 0.00 -0.50 -2.00 105.19 113.17 2air n GLY 130 Ca 0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 2air n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2air n SER 131 N 2.74 4.41 0.00 1.61 3.41 -1.26 -4.70 113.62 119.82 2air n SER 131 Ca 0.00 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 2air n SER 131 Cb 0.00 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2air n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2air n ASN 132 N -0.04 0.00 -4.41 4.04 5.15 -0.85 -4.90 115.26 114.25 2air n ASN 132 Ca 0.34 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 54.03 2air n ASN 132 Cb 1.22 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 40.34 2air n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2air s GLN 133 N 0.00 1.47 -0.42 1.20 -1.52 -1.26 -4.98 119.66 114.15 2air s GLN 133 Ca 0.00 -1.38 0.08 0.00 -1.95 0.00 0.00 55.36 52.11 2air s GLN 133 Cb 0.00 -1.90 0.30 0.00 -0.22 0.00 0.00 33.01 31.19 2air s GLN 133 CO 0.00 0.44 0.82 1.58 -0.25 0.00 0.00 175.29 177.88 2air n HIS 134 N 0.72 -1.37 -0.39 0.91 -0.00 -1.26 -2.23 115.22 111.59 2air n HIS 134 Ca -0.16 -2.95 -0.03 0.00 0.46 0.00 0.00 57.72 55.04 2air n HIS 134 Cb 0.54 0.49 0.02 0.00 -0.12 0.00 0.00 29.99 30.92 2air n HIS 134 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2air n PRO 135 N 0.78 -0.27 0.26 1.57 -0.02 -1.26 -1.29 135.00 134.76 2air n PRO 135 Ca 0.16 1.51 0.12 0.00 -2.02 0.00 0.00 63.50 63.27 2air n PRO 135 Cb 0.64 -2.24 0.70 0.00 -0.02 0.00 0.00 33.50 32.57 2air n PRO 135 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2air h THR 136 N 0.00 0.63 -0.31 3.45 1.35 -1.95 -1.45 112.91 114.62 2air h THR 136 Ca 0.31 -0.56 -0.15 0.00 -0.55 0.00 0.00 66.41 65.47 2air h THR 136 Cb 0.56 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2air h THR 136 CO -0.97 0.13 -0.37 -0.61 -0.25 0.00 0.00 175.52 173.45 2air h GLN 137 N 0.00 0.80 -0.39 4.72 5.75 -1.58 -1.38 115.11 123.04 2air h GLN 137 Ca -0.00 -0.45 -0.11 0.00 -0.15 0.00 0.00 58.65 57.94 2air h GLN 137 Cb 0.34 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2air h GLN 137 CO 0.02 1.08 -0.22 1.15 -2.65 0.00 0.00 178.83 178.21 2air h THR 138 N 0.58 1.27 -0.51 2.39 2.02 -1.21 -1.88 112.91 115.56 2air h THR 138 Ca 0.04 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 2air h THR 138 Cb 0.96 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 2air h THR 138 CO 0.09 0.44 0.26 -0.07 0.37 0.00 0.00 175.52 176.61 2air h LEU 139 N 0.67 0.65 -0.70 2.58 3.38 -1.08 0.27 115.31 121.08 2air h LEU 139 Ca 0.09 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2air h LEU 139 Cb 0.72 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2air h LEU 139 CO 0.06 0.58 -0.36 0.17 0.09 0.00 0.00 178.44 178.98 2air h LEU 140 N 0.68 0.62 0.47 1.67 8.10 -1.17 0.20 115.31 125.88 2air h LEU 140 Ca 0.18 -0.26 -0.02 0.00 0.11 0.00 0.00 57.88 57.88 2air h LEU 140 Cb 0.09 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.14 2air h LEU 140 CO -0.02 0.93 -0.23 0.44 -4.11 0.00 0.00 178.44 175.45 2air h ASP 141 N 0.50 -0.53 -0.48 0.17 3.32 -0.89 0.15 116.42 118.65 2air h ASP 141 Ca 0.05 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.15 2air h ASP 141 Cb 0.86 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 2air h ASP 141 CO 0.07 -0.34 0.18 -0.07 -1.72 0.00 0.00 179.24 177.36 2air h LEU 142 N -0.68 0.20 -0.84 1.55 3.38 -0.32 -1.25 115.31 117.34 2air h LEU 142 Ca -0.06 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2air h LEU 142 Cb 0.51 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2air h LEU 142 CO 0.11 0.14 0.55 0.15 0.09 0.00 0.00 178.44 179.48 2air h PHE 143 N 0.36 1.03 -0.37 1.13 3.57 -0.42 -0.71 116.94 121.54 2air h PHE 143 Ca 0.22 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 2air h PHE 143 Cb 0.22 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2air h PHE 143 CO -0.15 0.62 -0.22 1.15 -2.23 0.00 0.00 178.31 177.48 2air h THR 144 N 1.09 1.27 -0.22 4.41 2.02 -0.02 -1.17 112.91 120.28 2air h THR 144 Ca 0.32 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 2air h THR 144 Cb -0.06 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2air h THR 144 CO -0.09 0.44 -0.09 0.40 0.37 0.00 0.00 175.52 176.54 2air h ILE 145 N 0.63 1.30 -0.31 3.11 2.04 -0.93 -1.95 117.51 121.40 2air h ILE 145 Ca 0.09 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2air h ILE 145 Cb 0.71 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2air h ILE 145 CO 0.05 0.35 0.20 -0.61 0.00 0.00 0.00 178.15 178.14 2air h GLN 146 N 0.17 0.40 -0.63 2.37 4.15 -1.00 0.31 115.11 120.87 2air h GLN 146 Ca 0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2air h GLN 146 Cb 0.57 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 2air h GLN 146 CO 0.03 0.26 0.34 0.93 -1.93 0.00 0.00 178.83 178.46 2air h GLU 147 N 0.41 0.88 0.12 1.69 5.08 -1.21 0.36 114.58 121.91 2air h GLU 147 Ca 0.11 -0.11 -0.27 0.00 -1.00 0.00 0.00 59.36 58.10 2air h GLU 147 Cb -0.04 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2air h GLU 147 CO -0.03 0.67 -1.23 1.79 -1.00 0.00 0.00 179.01 179.22 2air h THR 148 N 0.86 1.49 -0.01 1.13 1.35 -1.11 -3.34 112.91 113.28 2air h THR 148 Ca 0.22 -3.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.06 2air h THR 148 Cb 0.05 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 2air h THR 148 CO -0.04 0.88 -0.59 0.00 -0.25 0.00 0.00 175.52 175.53 2air n GLN 149 N -3.55 0.86 -0.71 4.72 1.13 0.11 -4.96 117.38 114.97 2air n GLN 149 Ca -0.08 -0.70 0.00 0.00 -1.94 0.00 0.00 57.00 54.28 2air n GLN 149 Cb 1.01 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.88 2air n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2air n GLY 150 N 1.44 1.15 3.84 1.08 0.00 0.13 -4.93 105.19 107.89 2air n GLY 150 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 2air n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2air s ARG 151 N -0.15 1.36 0.00 1.61 1.70 -1.17 -4.97 118.95 117.33 2air s ARG 151 Ca 0.00 -0.85 0.00 0.00 -0.47 0.00 0.00 55.73 54.41 2air s ARG 151 Cb 0.00 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 2air s ARG 151 CO 0.00 -0.63 0.75 1.28 -1.08 0.00 0.00 175.30 175.61 2air n LEU 152 N -0.63 1.34 -4.53 -1.89 4.77 -1.26 -4.02 117.00 110.79 2air n LEU 152 Ca -0.04 -1.34 -0.24 0.00 -0.03 0.00 0.00 56.01 54.35 2air n LEU 152 Cb 0.60 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 2air n LEU 152 CO 0.19 0.34 -0.43 1.51 -1.33 0.00 0.00 177.39 177.67 2air s ASP 153 N -0.55 3.92 -1.40 -1.43 -4.77 -1.26 -4.77 116.67 106.41 2air s ASP 153 Ca 0.00 -0.86 -0.04 0.00 -3.30 0.00 0.00 52.55 48.35 2air s ASP 153 Cb 0.00 -0.50 0.03 0.00 -1.09 0.00 0.00 42.92 41.36 2air s ASP 153 CO 0.00 0.04 0.70 0.59 0.70 0.00 0.00 175.17 177.20 2air n ASN 154 N -0.57 -1.82 -4.55 2.11 4.13 -0.52 -4.94 115.26 109.10 2air n ASN 154 Ca -0.07 -0.87 -0.24 0.00 1.68 0.00 0.00 54.58 55.09 2air n ASN 154 Cb 0.59 -3.72 -0.09 0.00 -1.54 0.00 0.00 39.78 35.02 2air n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2air s LEU 155 N -6.90 2.84 -0.38 3.41 1.43 -1.25 -4.95 118.68 112.87 2air s LEU 155 Ca 0.18 -0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 52.31 2air s LEU 155 Cb -0.09 -1.34 0.06 0.00 0.03 0.00 0.00 46.19 44.86 2air s LEU 155 CO 0.84 0.00 0.18 -1.00 0.23 0.00 0.00 176.35 176.60 2air s HIS 156 N -2.45 3.33 -0.23 0.29 3.76 -1.26 0.10 115.29 118.83 2air s HIS 156 Ca 0.31 -1.57 -0.05 0.00 -0.15 0.00 0.00 55.06 53.60 2air s HIS 156 Cb -0.05 -2.67 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 2air s HIS 156 CO 0.17 -0.81 0.01 0.08 -0.85 0.00 0.00 174.74 173.35 2air s VAL 157 N 1.39 3.86 -0.11 -0.90 1.01 0.19 -0.52 120.40 125.32 2air s VAL 157 Ca 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2air s VAL 157 Cb -0.21 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2air s VAL 157 CO 0.02 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.51 2air s ALA 158 N 1.42 3.26 -0.16 5.51 0.00 -0.13 -0.07 121.76 131.58 2air s ALA 158 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2air s ALA 158 Cb -0.15 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.46 2air s ALA 158 CO 0.01 0.48 -0.10 -1.64 0.00 0.00 0.00 175.76 174.51 2air s MET 159 N -0.54 1.93 0.02 0.00 -1.94 -0.05 -0.31 119.30 118.40 2air s MET 159 Ca 0.09 -0.60 0.05 0.00 -1.71 0.00 0.00 55.69 53.53 2air s MET 159 Cb -0.12 -2.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.58 2air s MET 159 CO 0.02 -0.34 -0.13 0.08 -0.01 0.00 0.00 175.02 174.64 2air s VAL 160 N 1.52 3.18 0.00 -6.03 1.01 -0.53 -1.26 120.40 118.29 2air s VAL 160 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2air s VAL 160 Cb -0.14 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2air s VAL 160 CO -0.09 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2air n GLY 161 N 1.63 0.21 3.40 4.51 0.00 -0.63 -0.86 105.19 113.45 2air n GLY 161 Ca -0.16 -1.63 -0.45 0.00 0.00 0.00 0.00 46.02 43.79 2air n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2air s ASP 162 N -4.00 6.43 0.05 1.61 2.15 -1.26 -4.25 116.67 117.41 2air s ASP 162 Ca 0.00 -1.82 0.24 0.00 0.43 0.00 0.00 52.55 51.40 2air s ASP 162 Cb 0.00 -2.33 0.36 0.00 -0.30 0.00 0.00 42.92 40.65 2air s ASP 162 CO 0.00 -1.03 1.31 0.18 -0.17 0.00 0.00 175.17 175.46 2air n LEU 163 N 6.09 0.60 0.04 -1.34 4.77 -0.58 -2.43 117.00 124.14 2air n LEU 163 Ca 0.06 0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.92 2air n LEU 163 Cb 0.46 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 2air n LEU 163 CO 0.52 0.04 0.09 0.50 -1.33 0.00 0.00 177.39 177.21 2air h LYS 164 N 0.00 0.34 0.00 3.23 3.64 -1.19 -3.39 116.57 119.20 2air h LYS 164 Ca 0.00 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2air h LYS 164 Cb 0.63 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2air h LYS 164 CO 0.00 1.21 -1.22 0.66 -2.27 0.00 0.00 179.45 177.83 2air n TYR 165 N -4.13 0.00 -2.14 1.91 4.01 -1.26 -4.83 117.16 110.72 2air n TYR 165 Ca -0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.31 2air n TYR 165 Cb 0.79 -0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 39.59 2air n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2air s GLY 166 N -3.06 0.38 0.14 2.72 0.00 -1.02 -4.77 107.32 101.71 2air s GLY 166 Ca -0.01 -2.05 0.10 0.00 0.00 0.00 0.00 44.72 42.76 2air s GLY 166 CO 0.58 3.41 1.30 0.54 0.00 0.00 0.00 173.10 178.92 2air n ARG 167 N 8.49 0.06 0.12 2.90 5.12 -1.26 -1.29 116.66 130.80 2air n ARG 167 Ca 0.43 0.56 -0.03 0.00 -1.93 0.00 0.00 57.85 56.89 2air n ARG 167 Cb 0.47 -1.71 0.11 0.00 -1.16 0.00 0.00 32.46 30.17 2air n ARG 167 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2air h THR 168 N 0.00 1.50 0.00 0.55 1.35 -1.94 -2.45 112.91 111.93 2air h THR 168 Ca 0.00 -2.41 -0.14 0.00 -0.55 0.00 0.00 66.41 63.31 2air h THR 168 Cb 0.00 2.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 2air h THR 168 CO 0.00 0.69 -0.73 -0.37 -0.25 0.00 0.00 175.52 174.86 2air h VAL 169 N 0.00 1.05 -0.14 6.82 -1.51 -1.57 -1.77 116.25 119.13 2air h VAL 169 Ca -0.01 -2.52 -0.02 0.00 -1.23 0.00 0.00 66.70 62.92 2air h VAL 169 Cb 1.25 2.50 -0.00 0.00 -2.13 0.00 0.00 31.29 32.90 2air h VAL 169 CO 0.09 0.60 -0.00 0.45 -1.23 0.00 0.00 177.57 177.47 2air h HIS 170 N 0.00 0.26 -0.33 5.19 -0.00 -1.44 -0.64 115.15 118.19 2air h HIS 170 Ca -0.03 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.26 2air h HIS 170 Cb 1.51 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.84 2air h HIS 170 CO 0.00 0.48 0.07 0.77 -0.00 0.00 0.00 177.93 179.25 2air h SER 171 N -0.03 0.52 -0.40 2.45 0.02 -1.47 -1.91 113.55 112.73 2air h SER 171 Ca 0.04 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 2air h SER 171 Cb 0.38 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2air h SER 171 CO 0.01 0.63 0.12 0.25 -1.14 0.00 0.00 176.83 176.69 2air h LEU 172 N 0.38 0.64 -0.17 5.07 5.85 -1.30 -0.27 115.31 125.51 2air h LEU 172 Ca 0.10 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2air h LEU 172 Cb 0.32 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2air h LEU 172 CO 0.00 0.64 -0.05 0.74 -0.34 0.00 0.00 178.44 179.44 2air h THR 173 N 0.68 1.29 0.00 1.05 2.02 -0.92 -1.50 112.91 115.52 2air h THR 173 Ca 0.15 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 2air h THR 173 Cb 0.25 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2air h THR 173 CO -0.00 0.30 -0.22 1.56 0.37 0.00 0.00 175.52 177.53 2air h GLN 174 N 0.05 0.00 0.03 6.66 4.20 -1.09 -1.47 115.11 123.48 2air h GLN 174 Ca 0.04 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.56 2air h GLN 174 Cb 0.49 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.28 2air h GLN 174 CO 0.02 0.22 -0.76 0.00 -0.67 0.00 0.00 178.83 177.65 2air h ALA 175 N 1.78 0.06 0.00 3.87 0.00 -0.90 -3.20 119.26 120.86 2air h ALA 175 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2air h ALA 175 Cb 0.44 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2air h ALA 175 CO 0.03 0.44 0.00 -0.07 0.00 0.00 0.00 179.25 179.65 2air h LEU 176 N -0.02 0.00 0.00 0.00 3.38 -1.08 -1.93 115.31 115.66 2air h LEU 176 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2air h LEU 176 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2air h LEU 176 CO 0.15 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.68 2air n ALA 177 N -2.02 2.64 0.63 1.53 0.00 -0.57 -2.18 120.51 120.55 2air n ALA 177 Ca 0.01 -0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.37 2air n ALA 177 Cb 0.29 -1.49 0.26 0.00 0.00 0.00 0.00 19.45 18.51 2air n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2air n LYS 178 N -0.99 2.25 -4.41 0.00 5.02 -0.73 -4.87 118.16 114.43 2air n LYS 178 Ca 0.23 -1.88 -0.25 0.00 -2.02 0.00 0.00 58.31 54.39 2air n LYS 178 Cb 0.10 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.53 2air n LYS 178 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2air s PHE 179 N -1.60 2.16 0.31 2.13 0.08 -0.93 -4.98 117.98 115.15 2air s PHE 179 Ca 0.36 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.92 2air s PHE 179 Cb 0.21 -1.04 -0.07 0.00 -0.57 0.00 0.00 43.02 41.55 2air s PHE 179 CO 0.30 0.50 0.66 -0.51 -0.10 0.00 0.00 175.22 176.06 2air s ASP 180 N -2.87 6.61 -1.96 1.36 1.01 -1.26 -4.43 116.67 115.12 2air s ASP 180 Ca 0.22 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.51 2air s ASP 180 Cb -0.06 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.59 2air s ASP 180 CO 0.10 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.88 2air n GLY 181 N -0.62 0.56 3.80 0.21 0.00 -1.26 -1.44 105.19 106.44 2air n GLY 181 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2air n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2air s ASN 182 N -2.35 7.14 -0.12 1.61 0.02 -1.26 -3.37 114.94 116.59 2air s ASN 182 Ca 0.00 1.56 0.02 0.00 -1.02 0.00 0.00 52.86 53.42 2air s ASN 182 Cb 0.00 -2.47 -0.00 0.00 0.02 0.00 0.00 41.25 38.80 2air s ASN 182 CO 0.00 -0.02 -0.20 -0.60 0.02 0.00 0.00 177.10 176.30 2air s ARG 183 N -2.08 3.13 -0.01 -0.60 6.06 0.11 -3.97 118.95 121.59 2air s ARG 183 Ca 0.46 -0.82 0.03 0.00 -2.50 0.00 0.00 55.73 52.90 2air s ARG 183 Cb -0.17 -2.44 -0.03 0.00 0.06 0.00 0.00 34.95 32.36 2air s ARG 183 CO 0.21 0.11 -0.06 -0.06 -2.50 0.00 0.00 175.30 173.00 2air s PHE 184 N 0.54 2.91 -0.14 5.12 0.08 -0.39 0.57 117.98 126.67 2air s PHE 184 Ca -0.12 -0.02 -0.00 0.00 0.12 0.00 0.00 56.93 56.90 2air s PHE 184 Cb -0.17 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 2air s PHE 184 CO 0.04 0.37 -0.08 0.71 -0.10 0.00 0.00 175.22 176.16 2air s TYR 185 N -0.97 1.72 -0.29 0.36 2.02 0.90 -2.33 117.35 118.77 2air s TYR 185 Ca 0.16 -0.97 -0.07 0.00 -0.37 0.00 0.00 57.07 55.82 2air s TYR 185 Cb -0.11 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.10 2air s TYR 185 CO 0.07 -0.58 0.09 -0.06 -1.57 0.00 0.00 175.55 173.49 2air s PHE 186 N 1.63 3.13 -0.29 2.71 0.08 -0.20 -0.87 117.98 124.18 2air s PHE 186 Ca 0.03 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.36 2air s PHE 186 Cb -0.14 -2.27 0.07 0.00 -0.57 0.00 0.00 43.02 40.12 2air s PHE 186 CO -0.09 -0.50 -0.05 0.42 -0.10 0.00 0.00 175.22 174.91 2air s ILE 187 N 1.55 2.30 0.04 0.64 1.09 -0.39 -1.07 121.20 125.36 2air s ILE 187 Ca 0.04 -1.83 -0.27 0.00 -1.10 0.00 0.00 60.65 57.49 2air s ILE 187 Cb -0.17 -2.46 0.07 0.00 -1.06 0.00 0.00 42.46 38.85 2air s ILE 187 CO 0.03 -0.21 0.63 0.00 -0.10 0.00 0.00 174.94 175.29 2air s ALA 188 N 1.06 -1.65 0.44 9.38 0.00 -1.25 -1.60 121.76 128.13 2air s ALA 188 Ca -0.03 0.91 -0.25 0.00 0.00 0.00 0.00 51.96 52.59 2air s ALA 188 Cb -0.20 0.40 -0.08 0.00 0.00 0.00 0.00 23.12 23.24 2air s ALA 188 CO -0.06 -0.54 1.38 -1.25 0.00 0.00 0.00 175.76 175.29 2air s PRO 189 N -2.35 3.76 0.56 0.00 0.04 -1.26 -4.76 135.00 130.98 2air s PRO 189 Ca -0.06 2.31 0.31 0.00 0.04 0.00 0.00 61.00 63.60 2air s PRO 189 Cb -0.00 -2.67 1.47 0.00 0.04 0.00 0.00 34.50 33.33 2air s PRO 189 CO -0.00 -0.72 1.87 -0.44 0.04 0.00 0.00 177.00 177.75 2air h ASP 190 N 2.40 0.00 0.67 6.66 5.19 -1.99 0.29 116.42 129.64 2air h ASP 190 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2air h ASP 190 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2air h ASP 190 CO 0.61 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.73 2air n ALA 191 N -2.59 2.27 -2.29 3.45 0.00 -1.26 -3.42 120.51 116.67 2air n ALA 191 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.50 2air n ALA 191 Cb 0.89 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.98 2air n ALA 191 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2air n LEU 192 N -1.38 1.87 -4.72 0.00 4.77 1.00 -4.96 117.00 113.57 2air n LEU 192 Ca 0.10 -2.89 -0.30 0.00 -0.03 0.00 0.00 56.01 52.88 2air n LEU 192 Cb 0.25 -0.08 0.13 0.00 -2.33 0.00 0.00 43.42 41.39 2air n LEU 192 CO 0.22 0.96 0.67 0.00 -1.33 0.00 0.00 177.39 177.91 2air s ALA 193 N -1.77 1.71 0.36 -1.18 0.00 -1.05 -1.50 121.76 118.33 2air s ALA 193 Ca 0.35 0.16 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 2air s ALA 193 Cb 0.37 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 20.12 2air s ALA 193 CO -0.10 -2.25 1.42 -0.12 0.00 0.00 0.00 175.76 174.70 2air n MET 194 N -3.84 2.48 -2.16 0.00 1.56 -1.26 -3.07 117.12 110.83 2air n MET 194 Ca 0.08 0.87 -0.39 0.00 -0.27 0.00 0.00 57.70 57.99 2air n MET 194 Cb 0.54 -2.55 -0.01 0.00 2.15 0.00 0.00 33.22 33.35 2air n MET 194 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2air s PRO 195 N -1.97 4.07 0.55 2.12 0.02 -1.26 -4.91 135.00 133.62 2air s PRO 195 Ca 0.54 2.04 0.24 0.00 0.02 0.00 0.00 61.00 63.85 2air s PRO 195 Cb -0.51 -2.79 1.44 0.00 0.02 0.00 0.00 34.50 32.66 2air s PRO 195 CO 0.63 -0.37 2.06 0.37 -0.33 0.00 0.00 177.00 179.36 2air h GLN 196 N 2.80 0.00 0.00 5.54 5.75 -2.00 -1.00 115.11 126.21 2air h GLN 196 Ca -0.49 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 57.96 2air h GLN 196 Cb 1.24 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 2air h GLN 196 CO 0.63 0.00 -0.24 0.10 -2.65 0.00 0.00 178.83 176.67 2air h TYR 197 N 0.00 0.00 -0.01 3.99 -0.00 -1.99 0.19 116.97 119.15 2air h TYR 197 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.67 2air h TYR 197 Cb 0.62 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.36 2air h TYR 197 CO 0.00 0.24 -0.76 0.82 -0.00 0.00 0.00 178.16 178.46 2air h ILE 198 N 0.00 1.36 -0.30 -0.90 1.08 -1.55 -2.53 117.51 114.66 2air h ILE 198 Ca -0.00 -2.12 -0.10 0.00 -0.39 0.00 0.00 64.86 62.25 2air h ILE 198 Cb 0.50 2.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 2air h ILE 198 CO 0.03 0.63 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.82 2air h LEU 199 N 0.12 0.58 -0.16 1.44 3.38 -1.34 -2.22 115.31 117.11 2air h LEU 199 Ca -0.09 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2air h LEU 199 Cb 1.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2air h LEU 199 CO 0.15 0.81 0.09 0.44 0.09 0.00 0.00 178.44 180.02 2air h ASP 200 N 0.51 0.14 -0.64 -0.43 3.32 -0.60 -0.77 116.42 117.94 2air h ASP 200 Ca 0.07 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.21 2air h ASP 200 Cb 0.68 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.14 2air h ASP 200 CO 0.05 0.11 0.29 -0.03 -1.72 0.00 0.00 179.24 177.94 2air h MET 201 N 0.19 0.50 -0.65 3.56 1.85 -1.03 0.08 114.93 119.42 2air h MET 201 Ca 0.06 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 59.05 2air h MET 201 Cb 0.00 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.89 2air h MET 201 CO -0.04 0.33 0.14 -0.07 -0.40 0.00 0.00 176.91 176.88 2air h LEU 202 N 0.52 1.01 -0.69 3.39 3.38 -1.01 -2.49 115.31 119.42 2air h LEU 202 Ca 0.31 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2air h LEU 202 Cb 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2air h LEU 202 CO -0.26 0.99 0.11 0.44 0.09 0.00 0.00 178.44 179.81 2air h ASP 203 N 0.98 1.07 -0.23 -0.43 3.32 -0.46 0.12 116.42 120.80 2air h ASP 203 Ca 0.20 -0.26 0.07 0.00 0.02 0.00 0.00 57.03 57.06 2air h ASP 203 Cb 0.39 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2air h ASP 203 CO 0.01 1.06 0.18 -0.33 -1.72 0.00 0.00 179.24 178.44 2air h GLU 204 N 1.04 0.00 -0.41 3.56 5.08 -0.58 -1.05 114.58 122.23 2air h GLU 204 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2air h GLU 204 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2air h GLU 204 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 2air n LYS 205 N -4.31 2.52 -2.01 2.33 5.02 -0.93 -4.97 118.16 115.81 2air n LYS 205 Ca 0.03 -2.13 -0.16 0.00 -2.02 0.00 0.00 58.31 54.02 2air n LYS 205 Cb 0.32 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2air n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2air n GLY 206 N 0.95 0.41 3.73 0.72 0.00 -0.40 -4.98 105.19 105.62 2air n GLY 206 Ca 0.15 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2air n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2air s ILE 207 N -2.75 4.62 -0.10 -0.61 -1.09 0.31 -5.00 121.20 116.58 2air s ILE 207 Ca 0.00 1.96 -0.30 0.00 -2.23 0.00 0.00 60.65 60.08 2air s ILE 207 Cb 0.00 -4.27 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 2air s ILE 207 CO 0.00 0.30 1.05 0.00 -1.23 0.00 0.00 174.94 175.07 2air s ALA 208 N 0.14 3.44 0.05 9.38 0.00 -1.26 -4.56 121.76 128.96 2air s ALA 208 Ca 0.46 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 2air s ALA 208 Cb -0.22 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 2air s ALA 208 CO 0.28 -0.66 0.09 1.67 0.00 0.00 0.00 175.76 177.13 2air s TRP 209 N 2.11 0.26 0.12 0.00 1.48 -1.26 -1.27 118.94 120.39 2air s TRP 209 Ca 0.50 -0.65 -0.21 0.00 -1.06 0.00 0.00 56.10 54.68 2air s TRP 209 Cb -0.20 -0.18 0.05 0.00 -1.16 0.00 0.00 33.47 31.99 2air s TRP 209 CO 0.18 -0.41 0.51 -1.54 -4.06 0.00 0.00 176.95 171.63 2air s SER 210 N -2.49 -0.42 -0.06 -2.66 1.04 -0.98 -4.99 113.70 103.14 2air s SER 210 Ca 0.00 -0.06 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 2air s SER 210 Cb 0.02 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2air s SER 210 CO -0.07 -0.86 0.11 -0.76 0.98 0.00 0.00 173.24 172.63 2air s LEU 211 N -2.55 4.11 0.04 2.42 1.43 -1.26 -1.03 118.68 121.84 2air s LEU 211 Ca -0.00 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2air s LEU 211 Cb 0.00 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 2air s LEU 211 CO -0.09 0.34 -0.03 -1.00 0.23 0.00 0.00 176.35 175.80 2air s HIS 212 N -1.10 0.41 -0.12 0.29 3.76 -0.23 -4.92 115.29 113.37 2air s HIS 212 Ca 0.19 -0.84 0.22 0.00 -0.15 0.00 0.00 55.06 54.48 2air s HIS 212 Cb -0.12 -0.30 -0.21 0.00 1.11 0.00 0.00 32.58 33.06 2air s HIS 212 CO 0.09 -0.30 0.70 -1.13 -0.85 0.00 0.00 174.74 173.25 2air n SER 213 N 0.72 0.33 -4.02 1.40 3.41 -1.26 -3.88 113.62 110.32 2air n SER 213 Ca -0.18 0.11 -0.08 0.00 -0.26 0.00 0.00 58.87 58.46 2air n SER 213 Cb 0.59 1.40 -0.10 0.00 -0.26 0.00 0.00 64.21 65.83 2air n SER 213 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2air s SER 214 N -4.81 0.33 0.29 4.04 1.04 -1.26 -4.82 113.70 108.51 2air s SER 214 Ca -0.05 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.71 2air s SER 214 Cb 0.12 0.17 0.42 0.00 0.10 0.00 0.00 66.02 66.84 2air s SER 214 CO 0.86 -0.47 1.69 0.40 0.98 0.00 0.00 173.24 176.70 2air h ILE 215 N 3.81 1.31 0.00 -1.02 2.04 -1.93 -2.89 117.51 118.83 2air h ILE 215 Ca -0.33 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.02 2air h ILE 215 Cb 1.18 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2air h ILE 215 CO 0.53 0.46 0.00 -0.62 0.00 0.00 0.00 178.15 178.52 2air n GLU 216 N -4.03 0.47 0.06 2.37 -0.58 -1.26 -1.01 120.64 116.65 2air n GLU 216 Ca -0.01 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.70 2air n GLU 216 Cb 0.48 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.79 2air n GLU 216 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2air h GLU 217 N 0.00 0.00 0.00 3.49 5.08 -1.94 -3.39 114.58 117.82 2air h GLU 217 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2air h GLU 217 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2air h GLU 217 CO 0.00 0.53 0.00 0.28 -1.00 0.00 0.00 179.01 178.82 2air n VAL 218 N -3.10 0.00 -0.39 3.13 0.31 -0.70 -4.79 118.33 112.79 2air n VAL 218 Ca -0.06 -0.40 0.34 0.00 -0.01 0.00 0.00 64.34 64.22 2air n VAL 218 Cb 0.87 1.16 0.67 0.00 -0.91 0.00 0.00 33.84 35.64 2air n VAL 218 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2air h MET 219 N 0.00 0.12 -0.39 5.55 -1.53 -1.27 -1.32 114.93 116.10 2air h MET 219 Ca 0.00 -0.01 -0.08 0.00 -3.44 0.00 0.00 59.70 56.18 2air h MET 219 Cb 0.08 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 2air h MET 219 CO 0.00 0.08 -0.07 0.00 0.14 0.00 0.00 176.91 177.06 2air h ALA 220 N 1.45 1.15 -0.01 0.39 0.00 -1.87 -3.28 119.26 117.10 2air h ALA 220 Ca 0.67 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2air h ALA 220 Cb 2.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2air h ALA 220 CO -0.17 0.54 -0.56 0.39 0.00 0.00 0.00 179.25 179.45 2air n GLU 221 N -4.20 1.22 -2.37 0.00 4.71 -0.51 -4.54 120.64 114.95 2air n GLU 221 Ca 0.01 -0.66 -0.41 0.00 -0.01 0.00 0.00 57.16 56.09 2air n GLU 221 Cb 0.32 -1.39 -0.03 0.00 -1.01 0.00 0.00 31.44 29.32 2air n GLU 221 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2air s VAL 222 N -2.40 3.63 -0.19 2.62 1.01 -1.11 -4.64 120.40 119.32 2air s VAL 222 Ca 0.14 1.32 0.15 0.00 0.00 0.00 0.00 61.98 63.59 2air s VAL 222 Cb 0.16 -3.84 -0.24 0.00 0.00 0.00 0.00 36.38 32.45 2air s VAL 222 CO 0.58 0.18 0.08 0.47 0.00 0.00 0.00 175.10 176.42 2air n ASP 223 N 2.85 0.34 -3.74 3.32 8.00 0.32 -4.50 116.55 123.15 2air n ASP 223 Ca 0.06 0.02 -0.20 0.00 0.71 0.00 0.00 54.79 55.37 2air n ASP 223 Cb 0.45 0.72 -0.17 0.00 -0.02 0.00 0.00 41.12 42.09 2air n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2air s ILE 224 N -2.50 0.10 -0.45 0.53 -1.09 -1.00 -2.83 121.20 113.96 2air s ILE 224 Ca -0.13 0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.48 2air s ILE 224 Cb 0.07 -0.29 0.12 0.00 -1.58 0.00 0.00 42.46 40.78 2air s ILE 224 CO 0.80 0.19 0.30 -0.22 -1.23 0.00 0.00 174.94 174.78 2air s LEU 225 N 1.82 5.54 -0.50 2.97 2.96 -0.54 -0.96 118.68 129.98 2air s LEU 225 Ca 0.01 -1.96 -0.22 0.00 -0.22 0.00 0.00 54.13 51.74 2air s LEU 225 Cb -0.12 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.66 2air s LEU 225 CO -0.03 -0.64 0.75 -0.47 -1.32 0.00 0.00 176.35 174.64 2air s TYR 226 N 1.27 2.96 -0.11 5.38 5.04 0.57 -0.05 117.35 132.42 2air s TYR 226 Ca 0.07 -0.16 -0.20 0.00 -2.44 0.00 0.00 57.07 54.34 2air s TYR 226 Cb -0.25 -3.68 -0.04 0.00 0.35 0.00 0.00 41.96 38.34 2air s TYR 226 CO -0.02 -1.09 0.58 -1.64 -1.34 0.00 0.00 175.55 172.04 2air s MET 227 N 3.18 4.36 0.09 4.97 -1.94 0.18 -1.46 119.30 128.69 2air s MET 227 Ca 0.24 0.63 0.02 0.00 -1.71 0.00 0.00 55.69 54.86 2air s MET 227 Cb -0.15 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 33.19 2air s MET 227 CO 0.17 0.07 0.19 0.99 -0.01 0.00 0.00 175.02 176.43 2air s THR 228 N 0.86 5.09 0.19 2.05 2.01 -0.04 -4.00 115.64 121.80 2air s THR 228 Ca 0.30 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.43 2air s THR 228 Cb -0.16 -3.52 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 2air s THR 228 CO 0.13 0.07 0.83 -0.60 -0.69 0.00 0.00 174.62 174.35 2air s ARG 229 N -2.69 4.66 -0.29 4.92 3.52 -1.26 -4.59 118.95 123.22 2air s ARG 229 Ca 0.33 1.26 0.02 0.00 -0.13 0.00 0.00 55.73 57.21 2air s ARG 229 Cb -0.12 -3.27 0.07 0.00 -1.56 0.00 0.00 34.95 30.07 2air s ARG 229 CO 0.26 0.55 -0.05 0.08 -0.81 0.00 0.00 175.30 175.33 2air s VAL 230 N -1.13 2.39 -0.20 7.11 1.01 -1.26 -4.35 120.40 123.97 2air s VAL 230 Ca 0.37 -1.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.34 2air s VAL 230 Cb -0.24 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2air s VAL 230 CO 0.28 -0.17 0.99 -1.10 0.00 0.00 0.00 175.10 175.10 2air s GLN 231 N 1.09 4.30 0.42 2.72 -0.21 -1.26 -4.93 119.66 121.79 2air s GLN 231 Ca -0.04 1.29 0.18 0.00 0.02 0.00 0.00 55.36 56.81 2air s GLN 231 Cb -0.20 -3.61 1.10 0.00 1.00 0.00 0.00 33.01 31.30 2air s GLN 231 CO -0.05 -0.51 1.85 -0.22 -2.12 0.00 0.00 175.29 174.24 2air h LYS 232 N 7.38 0.38 -0.09 2.91 3.64 -1.98 0.24 116.57 129.04 2air h LYS 232 Ca -0.23 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2air h LYS 232 Cb 1.09 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2air h LYS 232 CO 0.93 0.25 0.18 1.05 -2.27 0.00 0.00 179.45 179.59 2air h GLU 233 N 0.39 0.00 0.00 1.90 4.11 -1.95 0.15 114.58 119.19 2air h GLU 233 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 2air h GLU 233 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2air h GLU 233 CO -0.18 0.00 0.00 0.00 0.07 0.00 0.00 179.01 178.90 2air h ARG 234 N 0.00 0.00 0.00 1.06 2.47 -1.34 -3.44 114.38 113.13 2air h ARG 234 Ca 0.04 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.34 2air h ARG 234 Cb 0.40 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.61 2air h ARG 234 CO -0.00 0.00 -0.41 1.28 0.56 0.00 0.00 179.97 181.40 2air n LEU 235 N -2.74 0.00 -4.89 3.04 4.77 0.54 -5.13 117.00 112.59 2air n LEU 235 Ca 0.00 -2.80 -0.30 0.00 -0.03 0.00 0.00 56.01 52.88 2air n LEU 235 Cb 0.21 1.44 -0.04 0.00 -2.33 0.00 0.00 43.42 42.70 2air n LEU 235 CO 0.22 -0.46 0.17 1.51 -1.33 0.00 0.00 177.39 177.49 2air s ASP 236 N -3.07 6.52 0.27 -1.43 -4.77 -1.26 -4.86 116.67 108.07 2air s ASP 236 Ca 0.34 0.76 -0.05 0.00 -3.30 0.00 0.00 52.55 50.31 2air s ASP 236 Cb 0.02 -2.16 0.53 0.00 -1.09 0.00 0.00 42.92 40.21 2air s ASP 236 CO 0.24 -0.10 1.61 -0.65 0.70 0.00 0.00 175.17 176.97 2air h PRO 237 N 2.25 0.06 -0.20 2.11 0.11 -1.98 0.89 132.00 135.24 2air h PRO 237 Ca -0.47 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2air h PRO 237 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2air h PRO 237 CO 0.69 0.04 -0.14 1.03 -0.21 0.00 0.00 178.00 179.41 2air h SER 238 N 0.06 0.31 0.21 -2.05 0.87 -1.98 -2.56 113.55 108.42 2air h SER 238 Ca 0.47 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2air h SER 238 Cb 0.87 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2air h SER 238 CO -0.78 0.49 -0.10 -0.08 -0.53 0.00 0.00 176.83 175.83 2air h GLU 239 N 0.31 -0.27 -0.10 2.24 4.81 -1.31 -2.67 114.58 117.59 2air h GLU 239 Ca 0.06 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2air h GLU 239 Cb 0.44 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2air h GLU 239 CO 0.03 0.12 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.39 2air h TYR 240 N -0.83 -0.37 -0.75 0.92 5.03 -0.87 -1.55 116.97 118.54 2air h TYR 240 Ca -0.03 0.02 0.16 0.00 2.58 0.00 0.00 58.73 61.46 2air h TYR 240 Cb 0.52 0.17 -0.14 0.00 1.55 0.00 0.00 36.73 38.83 2air h TYR 240 CO 0.07 -0.10 -0.13 0.00 -1.32 0.00 0.00 178.16 176.67 2air h ALA 241 N -0.99 0.59 -0.69 1.82 0.00 -1.58 0.42 119.26 118.82 2air h ALA 241 Ca 0.02 0.28 0.13 0.00 0.00 0.00 0.00 54.91 55.34 2air h ALA 241 Cb 0.12 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 2air h ALA 241 CO -0.13 -0.42 0.19 -0.91 0.00 0.00 0.00 179.25 177.98 2air h ASN 242 N 0.02 0.08 0.82 0.00 2.35 -0.95 -2.35 115.58 115.57 2air h ASN 242 Ca 0.38 0.12 -0.23 0.00 -0.55 0.00 0.00 56.30 56.02 2air h ASN 242 Cb 0.61 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.09 2air h ASN 242 CO -0.75 0.02 -1.26 -0.37 -1.65 0.00 0.00 177.43 173.42 2air h VAL 243 N 0.32 1.23 -0.26 2.81 -1.51 -0.17 -3.37 116.25 115.30 2air h VAL 243 Ca 0.37 -2.96 0.10 0.00 -1.23 0.00 0.00 66.70 62.99 2air h VAL 243 Cb 0.58 2.59 -0.04 0.00 -2.13 0.00 0.00 31.29 32.30 2air h VAL 243 CO -0.44 0.70 0.15 0.29 -1.23 0.00 0.00 177.57 177.04 2air n LYS 244 N -3.19 -0.01 -0.84 5.19 4.76 0.13 -4.54 118.16 119.65 2air n LYS 244 Ca -0.07 0.33 -0.33 0.00 -2.87 0.00 0.00 58.31 55.37 2air n LYS 244 Cb 0.96 -0.60 -0.05 0.00 -1.84 0.00 0.00 35.03 33.50 2air n LYS 244 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2air n ALA 245 N -2.78 -1.31 0.00 7.82 0.00 -1.26 -1.86 120.51 121.12 2air n ALA 245 Ca 0.09 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2air n ALA 245 Cb 0.32 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2air n ALA 245 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2air n GLN 246 N 1.50 0.00 0.00 0.00 -0.06 -1.26 -4.41 117.38 113.15 2air n GLN 246 Ca 0.13 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.17 2air n GLN 246 Cb 0.00 -1.51 0.18 0.00 -4.06 0.00 0.00 30.24 24.85 2air n GLN 246 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 2air n PHE 247 N -0.58 0.00 -4.21 3.69 3.72 -0.78 -4.40 117.46 114.90 2air n PHE 247 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2air n PHE 247 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 2air n PHE 247 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2air s VAL 248 N -2.00 3.66 0.03 -4.37 0.11 -1.23 -4.72 120.40 111.87 2air s VAL 248 Ca 0.09 -1.39 0.07 0.00 -2.93 0.00 0.00 61.98 57.83 2air s VAL 248 Cb 0.04 -2.81 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 2air s VAL 248 CO 0.07 -0.06 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.36 2air s LEU 249 N -2.79 2.49 -0.01 2.54 2.96 0.28 -5.00 118.68 119.15 2air s LEU 249 Ca 0.26 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 2air s LEU 249 Cb -0.10 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.14 2air s LEU 249 CO 0.18 0.27 0.17 0.00 -1.32 0.00 0.00 176.35 175.65 2air s ARG 250 N -1.25 0.48 0.25 1.98 1.70 -1.26 -0.82 118.95 120.03 2air s ARG 250 Ca 0.13 -0.30 -0.06 0.00 -0.47 0.00 0.00 55.73 55.03 2air s ARG 250 Cb -0.10 0.21 0.43 0.00 -0.57 0.00 0.00 34.95 34.92 2air s ARG 250 CO 0.04 -0.12 1.35 0.00 -1.08 0.00 0.00 175.30 175.49 2air n ALA 251 N 1.58 0.24 -0.18 7.88 0.00 -1.26 -0.45 120.51 128.31 2air n ALA 251 Ca -0.22 0.95 0.28 0.00 0.00 0.00 0.00 53.44 54.45 2air n ALA 251 Cb 0.56 -0.58 0.71 0.00 0.00 0.00 0.00 19.45 20.14 2air n ALA 251 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2air h SER 252 N 0.00 0.03 0.81 0.00 4.64 -1.97 0.19 113.55 117.24 2air h SER 252 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2air h SER 252 Cb 0.69 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2air h SER 252 CO -0.88 0.01 0.00 0.44 -0.87 0.00 0.00 176.83 175.53 2air h ASP 253 N 0.02 0.00 -0.39 4.97 3.32 -1.18 -3.15 116.42 120.01 2air h ASP 253 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2air h ASP 253 Cb 1.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.23 2air h ASP 253 CO -0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.68 2air n LEU 254 N -2.73 3.88 -0.37 1.55 4.77 0.05 -4.50 117.00 119.66 2air n LEU 254 Ca 0.01 -1.96 -0.02 0.00 -0.03 0.00 0.00 56.01 54.01 2air n LEU 254 Cb 0.25 -0.58 0.12 0.00 -2.33 0.00 0.00 43.42 40.88 2air n LEU 254 CO 0.23 0.52 1.29 1.12 -1.33 0.00 0.00 177.39 179.22 2air h HIS 255 N 2.65 1.24 -0.59 -1.77 2.07 -1.72 -2.90 115.15 114.14 2air h HIS 255 Ca 0.00 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 2air h HIS 255 Cb 1.35 -0.42 0.00 0.00 2.57 0.00 0.00 27.41 30.91 2air h HIS 255 CO 0.66 0.76 0.00 0.27 -3.07 0.00 0.00 177.93 176.55 2air n ASN 256 N -4.41 4.28 -4.76 3.10 6.94 -1.26 -5.02 115.26 114.13 2air n ASN 256 Ca 0.12 -2.34 -0.34 0.00 -0.02 0.00 0.00 54.58 51.99 2air n ASN 256 Cb 0.03 -0.51 0.04 0.00 -2.36 0.00 0.00 39.78 36.98 2air n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2air s ALA 257 N -1.64 2.50 0.31 -2.53 0.00 -1.10 -4.41 121.76 114.89 2air s ALA 257 Ca 0.46 0.77 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 2air s ALA 257 Cb 0.29 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 2air s ALA 257 CO 0.24 -1.20 1.18 0.15 0.00 0.00 0.00 175.76 176.13 2air s LYS 258 N -3.68 4.47 0.41 0.00 1.02 -1.26 -4.92 119.74 115.78 2air s LYS 258 Ca 0.72 1.94 0.21 0.00 0.02 0.00 0.00 55.97 58.86 2air s LYS 258 Cb -0.25 -3.08 1.17 0.00 -0.52 0.00 0.00 37.83 35.15 2air s LYS 258 CO 0.36 0.01 1.75 0.00 -0.92 0.00 0.00 175.35 176.55 2air h ALA 259 N 3.51 2.34 -0.00 5.17 0.00 -1.95 -0.40 119.26 127.92 2air h ALA 259 Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2air h ALA 259 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2air h ALA 259 CO 0.66 -0.78 -0.21 0.27 0.00 0.00 0.00 179.25 179.19 2air n ASN 260 N -4.63 0.45 -4.77 0.00 0.23 -1.26 -4.94 115.26 100.35 2air n ASN 260 Ca 0.27 -0.31 -0.40 0.00 -0.53 0.00 0.00 54.58 53.62 2air n ASN 260 Cb 0.98 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.63 2air n ASN 260 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2air s MET 261 N -2.73 3.92 -0.03 -3.83 1.75 -0.16 -4.87 119.30 113.35 2air s MET 261 Ca 0.20 2.25 0.05 0.00 -1.25 0.00 0.00 55.69 56.95 2air s MET 261 Cb 0.19 -2.76 -0.01 0.00 2.84 0.00 0.00 34.83 35.09 2air s MET 261 CO 0.55 -0.56 -0.19 0.15 -0.65 0.00 0.00 175.02 174.32 2air s LYS 262 N -2.26 1.72 -0.24 4.11 -0.14 -1.13 -4.40 119.74 117.39 2air s LYS 262 Ca 0.57 -0.67 -0.13 0.00 -1.36 0.00 0.00 55.97 54.38 2air s LYS 262 Cb -0.40 -1.57 -0.04 0.00 -1.68 0.00 0.00 37.83 34.14 2air s LYS 262 CO 0.52 0.34 0.28 0.08 -0.76 0.00 0.00 175.35 175.81 2air s VAL 263 N -0.23 5.27 0.29 3.17 1.01 0.61 -1.47 120.40 129.04 2air s VAL 263 Ca 0.02 0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.50 2air s VAL 263 Cb -0.09 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2air s VAL 263 CO 0.01 0.26 0.02 -0.76 0.00 0.00 0.00 175.10 174.63 2air s LEU 264 N 1.48 3.17 -0.28 3.92 1.43 0.93 -2.23 118.68 127.10 2air s LEU 264 Ca 0.12 -0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 2air s LEU 264 Cb -0.15 -1.66 0.12 0.00 0.03 0.00 0.00 46.19 44.54 2air s LEU 264 CO 0.08 -0.08 0.92 -2.28 0.23 0.00 0.00 176.35 175.22 2air s HIS 265 N -2.37 -0.66 0.55 0.29 2.46 -1.26 0.51 115.29 114.81 2air s HIS 265 Ca 0.33 1.39 0.35 0.00 0.47 0.00 0.00 55.06 57.59 2air s HIS 265 Cb -0.05 0.41 1.94 0.00 -0.13 0.00 0.00 32.58 34.74 2air s HIS 265 CO 0.20 -0.33 2.24 -1.35 -2.47 0.00 0.00 174.74 173.04 2air h PRO 266 N 5.81 0.00 0.00 2.88 0.11 -1.96 -3.47 132.00 135.38 2air h PRO 266 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2air h PRO 266 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2air h PRO 266 CO 0.16 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 179.26 2air n LEU 267 N -3.49 0.00 -3.88 2.35 4.77 -1.26 -5.00 117.00 110.50 2air n LEU 267 Ca -0.03 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 2air n LEU 267 Cb 0.12 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2air n LEU 267 CO 0.25 0.00 -0.35 -2.65 -1.33 0.00 0.00 177.39 173.31 2air n PRO 268 N 0.00 -0.93 -0.01 3.23 -0.02 -1.26 -4.67 135.00 131.34 2air n PRO 268 Ca 0.00 0.06 0.14 0.00 -2.02 0.00 0.00 63.50 61.68 2air n PRO 268 Cb 0.00 -2.65 0.67 0.00 -0.02 0.00 0.00 33.50 31.50 2air n PRO 268 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2air n ARG 269 N -3.72 1.39 -0.19 -0.52 -4.01 -1.26 -4.55 116.66 103.80 2air n ARG 269 Ca -0.24 -0.57 0.01 0.00 -1.04 0.00 0.00 57.85 56.00 2air n ARG 269 Cb 0.52 -1.47 0.04 0.00 -3.04 0.00 0.00 32.46 28.51 2air n ARG 269 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2air n VAL 270 N -0.29 -0.24 0.05 8.89 0.31 -1.26 -0.39 118.33 125.39 2air n VAL 270 Ca 0.20 1.15 0.11 0.00 -0.01 0.00 0.00 64.34 65.79 2air n VAL 270 Cb 0.25 -1.54 0.28 0.00 -0.91 0.00 0.00 33.84 31.92 2air n VAL 270 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2air n ASP 271 N -4.75 3.42 0.00 4.52 9.92 -1.26 -4.63 116.55 123.77 2air n ASP 271 Ca 0.06 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.33 2air n ASP 271 Cb 0.21 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 2air n ASP 271 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2air n GLU 272 N 1.39 1.19 -3.95 -1.24 4.71 0.48 -4.87 120.64 118.36 2air n GLU 272 Ca 0.21 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 57.02 2air n GLU 272 Cb 0.55 -0.96 -0.14 0.00 -1.01 0.00 0.00 31.44 29.88 2air n GLU 272 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2air s ILE 273 N -1.92 2.92 0.49 -3.67 1.01 -1.11 0.99 121.20 119.90 2air s ILE 273 Ca 0.00 -1.06 -0.23 0.00 0.00 0.00 0.00 60.65 59.36 2air s ILE 273 Cb 0.00 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.90 2air s ILE 273 CO 0.00 0.16 1.29 0.00 0.00 0.00 0.00 174.94 176.39 2air s ALA 274 N 1.32 2.97 0.36 9.38 0.00 0.00 -4.86 121.76 130.94 2air s ALA 274 Ca -0.00 1.20 0.38 0.00 0.00 0.00 0.00 51.96 53.54 2air s ALA 274 Cb -0.17 -3.50 1.96 0.00 0.00 0.00 0.00 23.12 21.41 2air s ALA 274 CO -0.04 -1.05 2.15 1.79 0.00 0.00 0.00 175.76 178.62 2air h THR 275 N 1.81 0.00 0.00 0.00 1.35 -1.97 -1.63 112.91 112.47 2air h THR 275 Ca -0.50 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2air h THR 275 Cb 1.27 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2air h THR 275 CO 0.59 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.96 2air n ASP 276 N -2.91 0.00 -0.05 5.36 5.68 -1.26 -1.79 116.55 121.58 2air n ASP 276 Ca -0.02 -1.15 -0.15 0.00 -0.50 0.00 0.00 54.79 52.98 2air n ASP 276 Cb 0.12 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.96 2air n ASP 276 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2air n VAL 277 N -0.76 1.59 -0.37 2.12 0.31 -0.61 -4.33 118.33 116.28 2air n VAL 277 Ca 0.10 -0.72 0.28 0.00 -0.01 0.00 0.00 64.34 63.98 2air n VAL 277 Cb 0.04 -1.20 0.55 0.00 -0.91 0.00 0.00 33.84 32.32 2air n VAL 277 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2air h ASP 278 N 0.02 0.39 1.07 4.52 5.19 -1.51 -0.81 116.42 125.29 2air h ASP 278 Ca -0.44 0.12 -0.12 0.00 -0.62 0.00 0.00 57.03 55.97 2air h ASP 278 Cb 2.05 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 41.61 2air h ASP 278 CO 0.04 -0.04 -0.57 0.11 -3.12 0.00 0.00 179.24 175.66 2air h LYS 279 N 0.28 0.00 -7.26 3.56 1.79 -1.76 -3.44 116.57 109.73 2air h LYS 279 Ca 0.70 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.64 2air h LYS 279 Cb 1.91 0.00 0.18 0.00 -1.58 0.00 0.00 32.23 32.73 2air h LYS 279 CO -0.39 0.57 0.28 0.95 -1.08 0.00 0.00 179.45 179.78 2air s THR 280 N -3.21 2.36 -0.91 -0.16 -4.23 -0.31 -4.89 115.64 104.29 2air s THR 280 Ca 0.01 0.13 0.21 0.00 -1.18 0.00 0.00 61.69 60.87 2air s THR 280 Cb 0.10 -2.35 0.19 0.00 1.34 0.00 0.00 72.50 71.78 2air s THR 280 CO 0.74 -0.14 1.68 -0.81 -0.54 0.00 0.00 174.62 175.55 2air n PRO 281 N -3.79 0.05 0.10 3.99 -0.04 -1.26 -3.03 135.00 131.03 2air n PRO 281 Ca 0.12 0.19 -0.02 0.00 -0.04 0.00 0.00 63.50 63.74 2air n PRO 281 Cb 0.52 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 2air n PRO 281 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2air h HIS 282 N 0.00 0.00 -2.51 0.54 3.86 -1.89 -3.45 115.15 111.70 2air h HIS 282 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2air h HIS 282 Cb 0.39 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.89 2air h HIS 282 CO 0.00 0.74 1.13 0.00 0.86 0.00 0.00 177.93 180.66 2air s ALA 283 N -2.93 3.71 0.00 2.45 0.00 -1.17 -0.28 121.76 123.54 2air s ALA 283 Ca 0.02 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.41 2air s ALA 283 Cb 0.09 -3.78 0.07 0.00 0.00 0.00 0.00 23.12 19.51 2air s ALA 283 CO 0.78 -1.30 0.91 1.87 0.00 0.00 0.00 175.76 178.01 2air n TRP 284 N 6.14 0.00 0.08 0.00 -0.00 -0.95 -4.86 117.44 117.85 2air n TRP 284 Ca 0.18 -0.12 -0.11 0.00 -0.00 0.00 0.00 57.50 57.46 2air n TRP 284 Cb 0.39 0.05 -0.03 0.00 -0.00 0.00 0.00 31.31 31.71 2air n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 2air h TYR 285 N 0.16 0.39 -0.02 5.87 -0.00 -1.87 -0.20 116.97 121.31 2air h TYR 285 Ca -0.08 -0.22 -0.18 0.00 0.00 0.00 0.00 58.73 58.25 2air h TYR 285 Cb 1.38 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 38.06 2air h TYR 285 CO -0.00 1.05 -0.78 0.74 -0.00 0.00 0.00 178.16 179.17 2air h PHE 286 N 0.14 0.29 -0.35 0.10 0.05 -1.92 -0.83 116.94 114.42 2air h PHE 286 Ca -0.06 -0.14 -0.16 0.00 3.82 0.00 0.00 57.97 61.42 2air h PHE 286 Cb 1.57 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 39.48 2air h PHE 286 CO 0.04 0.90 -0.41 1.96 -0.18 0.00 0.00 178.31 180.62 2air h GLN 287 N 0.13 0.88 -0.22 1.51 7.50 -1.90 -1.26 115.11 121.75 2air h GLN 287 Ca -0.03 -0.48 0.04 0.00 0.50 0.00 0.00 58.65 58.68 2air h GLN 287 Cb 1.36 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.88 2air h GLN 287 CO 0.12 1.12 -0.04 0.37 -1.50 0.00 0.00 178.83 178.91 2air h GLN 288 N 0.72 0.02 -0.76 1.46 4.15 -0.88 -0.29 115.11 119.52 2air h GLN 288 Ca 0.05 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2air h GLN 288 Cb 1.00 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 2air h GLN 288 CO 0.10 0.02 0.40 0.00 -1.93 0.00 0.00 178.83 177.42 2air h ALA 289 N 1.21 0.98 0.00 3.38 0.00 -0.99 -1.30 119.26 122.55 2air h ALA 289 Ca 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2air h ALA 289 Cb 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2air h ALA 289 CO -0.21 0.51 -0.02 0.78 0.00 0.00 0.00 179.25 180.31 2air h GLY 290 N 1.06 0.00 1.88 0.00 0.00 -0.17 -0.61 103.07 105.23 2air h GLY 290 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2air h GLY 290 CO -0.04 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.20 2air n ASN 291 N -3.71 0.00 -0.05 0.19 3.02 -0.22 -3.22 115.26 111.27 2air n ASN 291 Ca -0.03 0.33 -0.01 0.00 -0.03 0.00 0.00 54.58 54.85 2air n ASN 291 Cb 0.11 -0.44 0.27 0.00 -0.61 0.00 0.00 39.78 39.10 2air n ASN 291 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2air h GLY 292 N 4.47 0.69 0.91 7.41 0.00 -1.10 -2.02 103.07 113.44 2air h GLY 292 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.96 2air h GLY 292 CO 0.00 0.37 0.22 -2.22 0.00 0.00 0.00 176.54 174.90 2air h ILE 293 N 0.63 1.04 -0.08 2.60 1.08 -1.72 -0.88 117.51 120.17 2air h ILE 293 Ca 0.14 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 2air h ILE 293 Cb 0.28 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.58 2air h ILE 293 CO 0.00 0.08 -0.01 -0.26 -0.69 0.00 0.00 178.15 177.27 2air h PHE 294 N 0.44 0.16 -0.55 1.37 0.04 -1.68 0.25 116.94 116.97 2air h PHE 294 Ca 0.15 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 2air h PHE 294 Cb 0.01 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 2air h PHE 294 CO -0.08 0.45 0.19 0.00 -0.60 0.00 0.00 178.31 178.28 2air h ALA 295 N 0.69 1.30 0.00 2.45 0.00 -1.34 -0.10 119.26 122.26 2air h ALA 295 Ca 0.02 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2air h ALA 295 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2air h ALA 295 CO 0.01 0.51 -0.87 0.00 0.00 0.00 0.00 179.25 178.89 2air h ARG 296 N 0.80 0.00 -0.38 0.00 3.08 -1.12 -2.58 114.38 114.17 2air h ARG 296 Ca 0.19 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 2air h ARG 296 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2air h ARG 296 CO -0.01 0.61 -0.01 1.96 -1.07 0.00 0.00 179.97 181.44 2air h GLN 297 N 0.00 0.69 -0.53 0.04 4.20 -0.20 -2.50 115.11 116.81 2air h GLN 297 Ca -0.05 -0.22 0.06 0.00 0.06 0.00 0.00 58.65 58.50 2air h GLN 297 Cb 1.57 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.23 2air h GLN 297 CO 0.08 0.79 0.23 0.00 -0.67 0.00 0.00 178.83 179.26 2air h ALA 298 N 0.87 0.67 -0.10 3.87 0.00 -0.98 0.11 119.26 123.70 2air h ALA 298 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2air h ALA 298 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2air h ALA 298 CO 0.02 -0.15 0.04 -0.07 0.00 0.00 0.00 179.25 179.10 2air h LEU 299 N 0.44 0.14 -0.76 0.00 3.38 -1.37 -0.13 115.31 117.02 2air h LEU 299 Ca 0.25 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2air h LEU 299 Cb 0.22 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2air h LEU 299 CO -0.21 0.26 0.48 -0.07 0.09 0.00 0.00 178.44 178.99 2air h LEU 300 N 0.01 0.78 -0.16 1.67 3.38 -1.13 -0.77 115.31 119.09 2air h LEU 300 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2air h LEU 300 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2air h LEU 300 CO -0.00 0.53 0.10 0.00 0.09 0.00 0.00 178.44 179.16 2air h ALA 301 N 1.33 0.20 -0.30 1.53 0.00 -0.52 -1.84 119.26 119.66 2air h ALA 301 Ca 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2air h ALA 301 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2air h ALA 301 CO -0.12 -0.29 0.10 -0.07 0.00 0.00 0.00 179.25 178.87 2air h LEU 302 N 0.19 0.43 -0.70 0.00 3.38 -0.59 -0.81 115.31 117.21 2air h LEU 302 Ca 0.06 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 2air h LEU 302 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2air h LEU 302 CO -0.01 0.52 -0.62 1.62 0.09 0.00 0.00 178.44 180.04 2air h VAL 303 N 0.32 1.39 -0.01 1.22 3.04 -1.14 -3.17 116.25 117.91 2air h VAL 303 Ca 0.10 -2.17 0.00 0.00 -1.01 0.00 0.00 66.70 63.61 2air h VAL 303 Cb 0.24 2.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2air h VAL 303 CO -0.00 0.61 -0.33 0.18 -1.01 0.00 0.00 177.57 177.02 2air n LEU 304 N -3.71 1.74 -3.79 3.16 4.77 -0.70 -0.04 117.00 118.42 2air n LEU 304 Ca -0.01 -0.78 -0.28 0.00 -0.03 0.00 0.00 56.01 54.91 2air n LEU 304 Cb 0.64 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.56 2air n LEU 304 CO 0.42 0.33 -0.38 0.21 -1.33 0.00 0.00 177.39 176.64 2air s ASN 305 N -1.94 3.19 0.21 -1.43 3.84 -0.31 -5.02 114.94 113.47 2air s ASN 305 Ca 0.14 -0.94 -0.19 0.00 0.21 0.00 0.00 52.86 52.08 2air s ASN 305 Cb 0.14 -0.75 0.19 0.00 -0.55 0.00 0.00 41.25 40.27 2air s ASN 305 CO 0.41 -0.29 1.57 0.03 -2.79 0.00 0.00 177.10 176.03 2air h ARG 306 N 8.16 -0.08 -6.13 0.43 3.08 -1.84 -3.43 114.38 114.59 2air h ARG 306 Ca -0.16 0.01 -0.59 0.00 0.07 0.00 0.00 59.98 59.30 2air h ARG 306 Cb 1.10 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 2air h ARG 306 CO 0.36 -0.05 -0.13 -0.51 -1.07 0.00 0.00 179.97 178.57 2air s ASP 307 N -5.26 6.90 0.95 7.04 -0.00 -1.26 -1.20 116.67 123.84 2air s ASP 307 Ca -0.14 1.08 -0.13 0.00 -0.00 0.00 0.00 52.55 53.36 2air s ASP 307 Cb 0.18 -2.29 0.02 0.00 -0.00 0.00 0.00 42.92 40.84 2air s ASP 307 CO 0.70 0.28 0.32 -0.11 -0.00 0.00 0.00 175.17 176.37 2air n LEU 308 N 1.65 -0.62 -4.44 1.23 7.94 -1.26 -5.00 117.00 116.50 2air n LEU 308 Ca -0.12 0.32 -0.33 0.00 -1.11 0.00 0.00 56.01 54.77 2air n LEU 308 Cb 0.52 -1.18 -0.13 0.00 0.53 0.00 0.00 43.42 43.16 2air n LEU 308 CO 0.39 -3.80 -0.40 0.68 -1.11 0.00 0.00 177.39 173.16 2air s VAL 309 N -2.37 3.49 0.00 1.96 -7.23 -1.26 -5.17 120.40 109.82 2air s VAL 309 Ca 0.56 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 2air s VAL 309 Cb -0.21 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2air s VAL 309 CO 0.69 0.51 0.00 0.18 -0.31 0.00 0.00 175.10 176.17