#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1b n ASN 2 N 0.00 -2.33 -0.32 0.00 0.23 -0.19 -4.89 115.26 107.76 1f1b n ASN 2 Ca 0.00 -0.01 -0.04 0.00 -0.53 0.00 0.00 54.58 54.01 1f1b n ASN 2 Cb 0.00 -1.02 0.09 0.00 -2.08 0.00 0.00 39.78 36.77 1f1b n ASN 2 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1f1b h PRO 3 N -1.93 1.16 -0.30 -0.53 0.11 -1.92 -3.04 132.00 125.55 1f1b h PRO 3 Ca -0.51 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1f1b h PRO 3 Cb 1.34 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1f1b h PRO 3 CO 0.37 0.79 0.00 1.28 -0.21 0.00 0.00 178.00 180.23 1f1b n LEU 4 N -4.45 1.59 -4.71 2.35 4.77 -1.26 -4.92 117.00 110.37 1f1b n LEU 4 Ca 0.09 -0.80 -0.42 0.00 -0.03 0.00 0.00 56.01 54.86 1f1b n LEU 4 Cb 0.03 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1f1b n LEU 4 CO 0.37 0.40 1.38 -0.47 -1.33 0.00 0.00 177.39 177.73 1f1b s TYR 5 N -1.60 2.79 -1.22 -1.77 6.04 -1.14 -2.28 117.35 118.16 1f1b s TYR 5 Ca 0.20 0.31 0.00 0.00 0.04 0.00 0.00 57.07 57.62 1f1b s TYR 5 Cb 0.10 -4.13 0.00 0.00 -1.04 0.00 0.00 41.96 36.90 1f1b s TYR 5 CO 0.14 -4.33 0.00 1.04 -1.54 0.00 0.00 175.55 170.86 1f1b n GLN 6 N 4.28 -1.43 -3.18 4.97 1.13 0.62 -4.96 117.38 118.81 1f1b n GLN 6 Ca 0.16 0.74 -0.28 0.00 -1.94 0.00 0.00 57.00 55.68 1f1b n GLN 6 Cb 0.36 -4.92 -0.02 0.00 0.11 0.00 0.00 30.24 25.77 1f1b n GLN 6 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1f1b s LYS 7 N -2.85 3.60 0.13 -1.09 2.20 -0.97 -4.67 119.74 116.09 1f1b s LYS 7 Ca 0.00 0.01 -0.24 0.00 -0.36 0.00 0.00 55.97 55.38 1f1b s LYS 7 Cb 0.00 -2.58 -0.07 0.00 -1.51 0.00 0.00 37.83 33.67 1f1b s LYS 7 CO 0.00 0.10 0.74 -1.01 -0.36 0.00 0.00 175.35 174.82 1f1b s HIS 8 N -2.27 3.87 -0.97 4.03 3.76 -1.26 -4.62 115.29 117.82 1f1b s HIS 8 Ca 0.44 1.55 -0.03 0.00 -0.15 0.00 0.00 55.06 56.87 1f1b s HIS 8 Cb -0.10 -2.72 0.27 0.00 1.11 0.00 0.00 32.58 31.13 1f1b s HIS 8 CO 0.34 0.50 1.11 -0.89 -0.85 0.00 0.00 174.74 174.94 1f1b n ILE 9 N 1.78 4.09 0.07 0.60 2.08 -0.40 -4.85 119.36 122.73 1f1b n ILE 9 Ca -0.06 -5.49 -0.23 0.00 0.56 0.00 0.00 62.75 57.53 1f1b n ILE 9 Cb 0.49 -2.27 -0.15 0.00 -0.75 0.00 0.00 39.64 36.97 1f1b n ILE 9 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1f1b h ILE 10 N 3.59 0.95 -2.45 1.39 1.08 -1.93 -0.98 117.51 119.16 1f1b h ILE 10 Ca 0.19 -2.53 -0.09 0.00 -0.39 0.00 0.00 64.86 62.04 1f1b h ILE 10 Cb 0.73 2.76 -0.20 0.00 -3.07 0.00 0.00 36.82 37.03 1f1b h ILE 10 CO 1.06 0.86 -0.04 -0.55 -0.69 0.00 0.00 178.15 178.79 1f1b s SER 11 N -7.28 -0.49 0.01 1.72 0.15 -1.26 -4.70 113.70 101.85 1f1b s SER 11 Ca -0.15 0.65 0.09 0.00 0.70 0.00 0.00 55.95 57.23 1f1b s SER 11 Cb 0.05 0.65 0.37 0.00 -1.71 0.00 0.00 66.02 65.39 1f1b s SER 11 CO 0.86 -0.43 1.27 -0.38 1.20 0.00 0.00 173.24 175.76 1f1b n ILE 12 N 1.62 1.42 0.70 6.45 2.08 -1.26 -0.81 119.36 129.55 1f1b n ILE 12 Ca -0.18 0.36 0.13 0.00 0.56 0.00 0.00 62.75 63.62 1f1b n ILE 12 Cb 0.56 -1.22 0.34 0.00 -0.75 0.00 0.00 39.64 38.57 1f1b n ILE 12 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1f1b n ASN 13 N -1.52 0.63 0.03 4.38 2.85 -1.26 -3.65 115.26 116.71 1f1b n ASN 13 Ca 0.02 0.32 0.03 0.00 -0.11 0.00 0.00 54.58 54.84 1f1b n ASN 13 Cb 0.10 -0.31 -0.09 0.00 1.24 0.00 0.00 39.78 40.71 1f1b n ASN 13 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1f1b n ASP 14 N -2.02 0.62 -4.90 1.20 10.43 0.01 -4.93 116.55 116.95 1f1b n ASP 14 Ca 0.05 0.26 -0.29 0.00 2.57 0.00 0.00 54.79 57.39 1f1b n ASP 14 Cb 0.41 0.62 -0.03 0.00 1.84 0.00 0.00 41.12 43.96 1f1b n ASP 14 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1f1b s LEU 15 N -5.45 3.96 0.30 0.64 1.43 -1.23 -5.07 118.68 113.25 1f1b s LEU 15 Ca -0.04 0.82 0.06 0.00 -1.03 0.00 0.00 54.13 53.94 1f1b s LEU 15 Cb 0.09 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 1f1b s LEU 15 CO 0.83 -0.29 0.35 -0.94 0.23 0.00 0.00 176.35 176.52 1f1b s SER 16 N -3.31 5.81 0.26 2.29 1.04 -1.26 -4.97 113.70 113.55 1f1b s SER 16 Ca 0.46 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1f1b s SER 16 Cb -0.10 -1.36 0.57 0.00 0.10 0.00 0.00 66.02 65.23 1f1b s SER 16 CO 0.32 -0.25 1.72 -0.09 0.98 0.00 0.00 173.24 175.92 1f1b h ARG 17 N 1.16 0.43 -0.63 4.02 2.43 -1.96 0.21 114.38 120.03 1f1b h ARG 17 Ca -0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1f1b h ARG 17 Cb 1.25 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1f1b h ARG 17 CO 0.58 0.28 0.40 -0.44 -1.51 0.00 0.00 179.97 179.28 1f1b h ASP 18 N 0.44 0.74 -0.86 -3.80 3.32 -1.96 -0.79 116.42 113.51 1f1b h ASP 18 Ca 0.48 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1f1b h ASP 18 Cb 0.80 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1f1b h ASP 18 CO -0.46 0.56 0.55 0.44 -1.72 0.00 0.00 179.24 178.62 1f1b h ASP 19 N 0.86 1.00 0.04 6.45 3.32 -1.00 0.20 116.42 127.28 1f1b h ASP 19 Ca 0.23 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1f1b h ASP 19 Cb -0.07 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.24 1f1b h ASP 19 CO -0.05 0.74 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.12 1f1b h LEU 20 N 1.17 -0.04 -0.90 1.55 3.38 -0.79 -2.35 115.31 117.33 1f1b h LEU 20 Ca 0.31 -0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.35 1f1b h LEU 20 Cb -0.11 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.55 1f1b h LEU 20 CO -0.07 0.06 0.49 0.78 0.09 0.00 0.00 178.44 179.80 1f1b h ASN 21 N -0.14 0.61 -0.60 -0.43 -0.26 -0.16 -0.21 115.58 114.38 1f1b h ASN 21 Ca -0.00 0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.80 1f1b h ASN 21 Cb 0.13 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.35 1f1b h ASN 21 CO 0.01 0.24 0.29 0.25 -1.06 0.00 0.00 177.43 177.16 1f1b h LEU 22 N 0.67 0.81 0.06 1.61 5.85 -0.57 -0.73 115.31 123.02 1f1b h LEU 22 Ca 0.50 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.13 1f1b h LEU 22 Cb 0.73 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1f1b h LEU 22 CO -0.37 0.70 -0.03 0.58 -0.34 0.00 0.00 178.44 178.98 1f1b h VAL 23 N 0.90 1.22 -0.39 1.05 2.07 -0.55 -0.02 116.25 120.52 1f1b h VAL 23 Ca 0.22 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1f1b h VAL 23 Cb 0.11 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1f1b h VAL 23 CO -0.03 0.26 0.26 -0.07 0.02 0.00 0.00 177.57 178.02 1f1b h LEU 24 N -0.58 0.37 0.16 2.57 3.38 -1.27 0.61 115.31 120.55 1f1b h LEU 24 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1f1b h LEU 24 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1f1b h LEU 24 CO 0.01 0.26 -0.08 0.00 0.09 0.00 0.00 178.44 178.72 1f1b h ALA 25 N 1.77 -0.22 -0.24 1.53 0.00 -1.02 -2.24 119.26 118.84 1f1b h ALA 25 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1f1b h ALA 25 Cb 0.10 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1f1b h ALA 25 CO -0.04 -0.36 0.09 1.15 0.00 0.00 0.00 179.25 180.10 1f1b h THR 26 N -0.74 1.10 -0.08 0.00 2.02 -0.64 0.23 112.91 114.80 1f1b h THR 26 Ca -0.02 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1f1b h THR 26 Cb 0.52 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1f1b h THR 26 CO 0.04 0.12 0.03 0.00 0.37 0.00 0.00 175.52 176.08 1f1b h ALA 27 N 1.78 0.10 -0.71 6.16 0.00 0.30 0.21 119.26 127.10 1f1b h ALA 27 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1f1b h ALA 27 Cb 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1f1b h ALA 27 CO -0.01 -0.33 0.37 0.00 0.00 0.00 0.00 179.25 179.28 1f1b h ALA 28 N 0.90 0.91 -0.63 0.00 0.00 -0.93 0.46 119.26 119.97 1f1b h ALA 28 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1f1b h ALA 28 Cb 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1f1b h ALA 28 CO -0.00 0.43 0.32 -0.22 0.00 0.00 0.00 179.25 179.78 1f1b h LYS 29 N 0.97 0.90 0.00 0.00 3.64 -0.72 -2.45 116.57 118.90 1f1b h LYS 29 Ca 0.25 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1f1b h LYS 29 Cb 0.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1f1b h LYS 29 CO -0.04 0.70 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.49 1f1b h LEU 30 N 0.87 0.00 -0.48 5.20 3.38 -0.06 -2.61 115.31 121.60 1f1b h LEU 30 Ca 0.22 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 1f1b h LEU 30 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1f1b h LEU 30 CO -0.03 0.28 -0.50 0.50 0.09 0.00 0.00 178.44 178.78 1f1b h LYS 31 N 0.00 0.68 -0.06 1.13 3.64 -0.49 -3.24 116.57 118.23 1f1b h LYS 31 Ca -0.00 -0.40 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1f1b h LYS 31 Cb 0.90 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1f1b h LYS 31 CO 0.04 1.02 -0.17 0.00 -2.27 0.00 0.00 179.45 178.06 1f1b h ALA 32 N 0.91 0.10 -2.96 5.00 0.00 -1.29 -3.42 119.26 117.59 1f1b h ALA 32 Ca 0.02 -0.37 -0.60 0.00 0.00 0.00 0.00 54.91 53.96 1f1b h ALA 32 Cb 1.06 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.44 1f1b h ALA 32 CO 0.10 0.04 -0.76 0.54 0.00 0.00 0.00 179.25 179.17 1f1b s ASN 33 N -6.14 3.62 0.43 0.00 2.20 -1.00 -5.12 114.94 108.94 1f1b s ASN 33 Ca -0.15 -2.34 -0.23 0.00 -0.94 0.00 0.00 52.86 49.21 1f1b s ASN 33 Cb 0.03 -0.90 -0.12 0.00 -2.00 0.00 0.00 41.25 38.27 1f1b s ASN 33 CO 0.74 -0.31 0.68 -2.65 -2.94 0.00 0.00 177.10 172.62 1f1b n PRO 34 N 3.91 0.76 -3.26 3.55 -0.02 -1.22 -4.76 135.00 133.97 1f1b n PRO 34 Ca 0.07 0.28 -0.25 0.00 -2.02 0.00 0.00 63.50 61.58 1f1b n PRO 34 Cb 0.36 -1.66 -0.07 0.00 -0.02 0.00 0.00 33.50 32.11 1f1b n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1f1b n GLN 35 N 0.40 1.27 0.00 -0.52 6.02 -1.26 -5.00 117.38 118.29 1f1b n GLN 35 Ca 0.11 -3.67 0.00 0.00 -0.01 0.00 0.00 57.00 53.43 1f1b n GLN 35 Cb 0.40 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1f1b n GLN 35 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1f1b n PRO 36 N 1.23 0.00 0.00 -1.09 -0.02 -1.25 -0.93 135.00 132.94 1f1b n PRO 36 Ca 0.24 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1f1b n PRO 36 Cb 0.49 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1f1b n PRO 36 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1f1b n GLU 37 N -0.99 1.79 -0.21 -0.52 -0.58 -1.24 -2.76 120.64 116.13 1f1b n GLU 37 Ca 0.00 -1.10 0.09 0.00 -0.42 0.00 0.00 57.16 55.73 1f1b n GLU 37 Cb 0.20 -0.81 0.37 0.00 -0.57 0.00 0.00 31.44 30.64 1f1b n GLU 37 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1f1b h LEU 38 N 0.00 0.65 -3.13 -4.62 7.12 -0.67 -1.92 115.31 112.72 1f1b h LEU 38 Ca 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 1f1b h LEU 38 Cb 0.68 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1f1b h LEU 38 CO 0.00 0.39 -0.02 0.18 -0.13 0.00 0.00 178.44 178.85 1f1b n LEU 39 N -4.50 3.14 -4.67 2.25 4.77 0.14 -4.98 117.00 113.15 1f1b n LEU 39 Ca 0.13 -3.13 -0.44 0.00 -0.03 0.00 0.00 56.01 52.53 1f1b n LEU 39 Cb 0.32 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1f1b n LEU 39 CO 0.32 0.75 1.57 1.17 -1.33 0.00 0.00 177.39 179.87 1f1b n LYS 40 N -1.01 2.63 0.00 3.23 4.81 -0.73 -1.08 118.16 126.02 1f1b n LYS 40 Ca 0.19 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.60 1f1b n LYS 40 Cb 0.78 -2.88 0.00 0.00 0.02 0.00 0.00 35.03 32.94 1f1b n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1f1b n HIS 41 N 7.20 0.00 -2.90 5.64 8.25 -1.24 -4.99 115.22 127.19 1f1b n HIS 41 Ca 0.21 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.38 1f1b n HIS 41 Cb 0.37 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 1f1b n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1f1b s LYS 42 N -0.76 3.65 -0.13 -0.41 -0.14 -0.24 -4.98 119.74 116.73 1f1b s LYS 42 Ca 0.00 0.23 -0.01 0.00 -1.36 0.00 0.00 55.97 54.83 1f1b s LYS 42 Cb 0.00 -2.45 0.04 0.00 -1.68 0.00 0.00 37.83 33.74 1f1b s LYS 42 CO 0.00 -0.04 -0.02 0.08 -0.76 0.00 0.00 175.35 174.61 1f1b s VAL 43 N -2.45 0.72 0.00 3.17 1.01 -1.26 -1.33 120.40 120.26 1f1b s VAL 43 Ca 0.48 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1f1b s VAL 43 Cb -0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1f1b s VAL 43 CO 0.36 0.16 -0.14 -0.63 0.00 0.00 0.00 175.10 174.85 1f1b s ILE 44 N 1.81 3.06 -0.18 2.22 1.01 -0.44 -0.25 121.20 128.44 1f1b s ILE 44 Ca 0.03 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 1f1b s ILE 44 Cb -0.14 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1f1b s ILE 44 CO -0.07 0.44 0.35 0.00 0.00 0.00 0.00 174.94 175.66 1f1b s ALA 45 N -0.87 3.56 -0.44 9.38 0.00 -0.70 -1.62 121.76 131.07 1f1b s ALA 45 Ca 0.14 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1f1b s ALA 45 Cb -0.11 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.60 1f1b s ALA 45 CO 0.04 -0.09 0.29 0.45 0.00 0.00 0.00 175.76 176.46 1f1b s SER 46 N 0.75 5.65 -0.36 0.00 0.15 0.26 -1.77 113.70 118.39 1f1b s SER 46 Ca 0.18 -1.69 -0.02 0.00 0.70 0.00 0.00 55.95 55.12 1f1b s SER 46 Cb -0.14 -1.99 0.08 0.00 -1.71 0.00 0.00 66.02 62.26 1f1b s SER 46 CO 0.06 -0.60 0.11 0.00 1.20 0.00 0.00 173.24 174.01 1f1b s PHE 48 N 1.19 3.34 -1.95 0.00 0.40 -0.74 -2.36 117.98 117.86 1f1b s PHE 48 Ca 0.03 -2.36 0.12 0.00 -0.60 0.00 0.00 56.93 54.11 1f1b s PHE 48 Cb -0.21 -2.11 0.34 0.00 0.51 0.00 0.00 43.02 41.55 1f1b s PHE 48 CO -0.03 -0.88 1.28 1.19 0.70 0.00 0.00 175.22 177.48 1f1b n PHE 49 N 4.43 0.54 -3.84 0.36 3.01 -0.42 -3.30 117.46 118.24 1f1b n PHE 49 Ca -0.11 -0.26 -0.12 0.00 1.01 0.00 0.00 57.45 57.97 1f1b n PHE 49 Cb 0.42 -0.01 -0.11 0.00 -0.01 0.00 0.00 39.48 39.77 1f1b n PHE 49 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1f1b s GLU 50 N -1.50 0.40 0.24 -1.08 2.12 -1.25 -4.64 118.70 112.99 1f1b s GLU 50 Ca 0.26 -0.12 -0.28 0.00 0.36 0.00 0.00 54.97 55.19 1f1b s GLU 50 Cb 0.14 0.17 -0.16 0.00 0.26 0.00 0.00 34.13 34.54 1f1b s GLU 50 CO 0.17 -0.09 0.68 0.00 -0.54 0.00 0.00 175.26 175.48 1f1b n ALA 51 N 2.03 -1.94 -3.64 6.30 0.00 -1.26 -4.94 120.51 117.06 1f1b n ALA 51 Ca -0.19 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.59 1f1b n ALA 51 Cb 0.57 -1.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.20 1f1b n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f1b s SER 52 N -0.85 -0.33 0.06 0.00 0.15 -1.26 -5.09 113.70 106.38 1f1b s SER 52 Ca 0.62 0.62 -0.01 0.00 0.70 0.00 0.00 55.95 57.89 1f1b s SER 52 Cb -0.83 0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1f1b s SER 52 CO 0.58 -0.12 -0.02 0.41 1.20 0.00 0.00 173.24 175.29 1f1b n THR 53 N 1.96 0.90 0.24 6.45 -1.04 -1.26 -4.73 114.28 116.80 1f1b n THR 53 Ca -0.12 0.28 -0.10 0.00 -2.04 0.00 0.00 64.05 62.07 1f1b n THR 53 Cb 0.56 -1.59 -0.05 0.00 -1.82 0.00 0.00 70.33 67.43 1f1b n THR 53 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1f1b h ARG 54 N -0.04 -0.64 -0.41 -2.82 3.08 -1.98 -1.58 114.38 109.99 1f1b h ARG 54 Ca -0.01 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1f1b h ARG 54 Cb 0.33 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.44 1f1b h ARG 54 CO -0.01 -0.43 -0.37 1.15 -1.07 0.00 0.00 179.97 179.24 1f1b h THR 55 N -1.13 0.17 0.55 2.04 2.02 -1.97 0.13 112.91 114.73 1f1b h THR 55 Ca -0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1f1b h THR 55 Cb 0.51 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1f1b h THR 55 CO 0.11 0.00 -0.27 -0.09 0.37 0.00 0.00 175.52 175.65 1f1b h ARG 56 N -0.28 -0.72 -0.79 6.66 2.43 -1.85 0.06 114.38 119.89 1f1b h ARG 56 Ca 0.16 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.53 1f1b h ARG 56 Cb 0.56 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 30.18 1f1b h ARG 56 CO -0.56 -0.48 0.35 -0.07 -1.51 0.00 0.00 179.97 177.70 1f1b h LEU 57 N -0.82 0.36 -0.33 3.80 3.38 -1.18 0.32 115.31 120.83 1f1b h LEU 57 Ca -0.08 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1f1b h LEU 57 Cb 0.57 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1f1b h LEU 57 CO 0.12 0.13 -0.01 0.77 0.09 0.00 0.00 178.44 179.55 1f1b h SER 58 N 0.49 0.58 -0.64 -0.43 4.64 -0.71 0.26 113.55 117.74 1f1b h SER 58 Ca 0.44 -0.31 0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1f1b h SER 58 Cb 0.67 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 1f1b h SER 58 CO -0.40 0.76 0.41 -0.26 -0.87 0.00 0.00 176.83 176.46 1f1b h PHE 59 N 0.40 0.77 -0.48 4.77 0.05 0.61 0.88 116.94 123.93 1f1b h PHE 59 Ca 0.09 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.83 1f1b h PHE 59 Cb 0.46 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 38.14 1f1b h PHE 59 CO 0.04 0.45 0.00 0.93 -0.18 0.00 0.00 178.31 179.55 1f1b h GLU 60 N 0.81 0.80 -0.30 1.51 5.08 0.19 -1.78 114.58 120.89 1f1b h GLU 60 Ca 0.25 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1f1b h GLU 60 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1f1b h GLU 60 CO -0.09 0.80 -0.03 1.15 -1.00 0.00 0.00 179.01 179.85 1f1b h THR 61 N 0.75 1.27 -0.04 1.13 2.02 0.51 -1.81 112.91 116.72 1f1b h THR 61 Ca 0.15 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1f1b h THR 61 Cb 0.45 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 1f1b h THR 61 CO 0.02 0.33 -0.49 0.28 0.37 0.00 0.00 175.52 176.02 1f1b h SER 62 N 0.34 -1.52 -0.91 4.18 0.02 -0.64 0.39 113.55 115.40 1f1b h SER 62 Ca 0.08 0.18 0.23 0.00 -0.84 0.00 0.00 61.79 61.44 1f1b h SER 62 Cb 0.49 0.59 -0.13 0.00 0.14 0.00 0.00 62.40 63.49 1f1b h SER 62 CO 0.02 -0.49 0.42 0.24 -1.14 0.00 0.00 176.83 175.88 1f1b h MET 63 N -0.61 0.40 -0.26 3.45 2.07 -1.09 0.50 114.93 119.40 1f1b h MET 63 Ca 0.04 -0.02 -0.13 0.00 -2.07 0.00 0.00 59.70 57.51 1f1b h MET 63 Cb 0.69 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.32 1f1b h MET 63 CO -0.37 0.27 -0.38 0.45 1.07 0.00 0.00 176.91 177.95 1f1b h HIS 64 N 0.42 0.71 0.00 -0.22 3.86 0.02 -1.05 115.15 118.88 1f1b h HIS 64 Ca 0.58 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1f1b h HIS 64 Cb 1.10 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1f1b h HIS 64 CO -0.12 0.89 0.00 0.54 0.86 0.00 0.00 177.93 180.10 1f1b n ARG 65 N -4.04 0.26 0.00 2.45 3.00 0.17 -2.19 116.66 116.32 1f1b n ARG 65 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 1f1b n ARG 65 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.47 1f1b n ARG 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1f1b n LEU 66 N -1.08 1.17 0.00 0.55 4.77 -1.13 -3.78 117.00 117.50 1f1b n LEU 66 Ca 0.07 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1f1b n LEU 66 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1f1b n LEU 66 CO 0.06 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1f1b n GLY 67 N -0.26 0.64 3.83 -0.72 0.00 -0.93 0.27 105.19 108.02 1f1b n GLY 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1f1b n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1b s ALA 68 N -2.17 2.75 0.17 4.61 0.00 -0.41 -3.57 121.76 123.14 1f1b s ALA 68 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1f1b s ALA 68 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1f1b s ALA 68 CO 0.00 -1.13 0.10 -1.12 0.00 0.00 0.00 175.76 173.60 1f1b s SER 69 N -3.88 5.30 0.04 0.00 0.01 -0.44 -4.39 113.70 110.34 1f1b s SER 69 Ca 0.58 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.67 1f1b s SER 69 Cb -0.13 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.76 1f1b s SER 69 CO 0.55 0.07 -0.13 -0.69 0.41 0.00 0.00 173.24 173.45 1f1b s VAL 70 N -1.76 1.02 0.00 3.43 1.01 -1.26 -1.33 120.40 121.52 1f1b s VAL 70 Ca 0.30 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1f1b s VAL 70 Cb -0.10 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1f1b s VAL 70 CO 0.22 -0.04 0.23 0.68 0.00 0.00 0.00 175.10 176.19 1f1b s VAL 71 N -0.88 0.08 -4.81 2.92 -7.23 -0.64 -4.94 120.40 104.90 1f1b s VAL 71 Ca 0.00 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 1f1b s VAL 71 Cb -0.08 -0.62 0.00 0.00 0.56 0.00 0.00 36.38 36.24 1f1b s VAL 71 CO 0.01 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1f1b n GLY 72 N 1.19 -0.50 3.09 2.32 0.00 -1.26 -0.57 105.19 109.46 1f1b n GLY 72 Ca -0.21 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 1f1b n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1f1b s PHE 73 N -3.39 -0.19 0.12 1.61 -0.12 -0.67 -4.98 117.98 110.36 1f1b s PHE 73 Ca 0.00 0.45 0.06 0.00 -0.05 0.00 0.00 56.93 57.38 1f1b s PHE 73 Cb 0.00 0.06 -0.19 0.00 -0.63 0.00 0.00 43.02 42.26 1f1b s PHE 73 CO 0.00 -0.13 1.28 0.77 -0.05 0.00 0.00 175.22 177.09 1f1b h SER 74 N 5.60 0.06 -4.08 1.98 0.02 -1.85 -1.97 113.55 113.31 1f1b h SER 74 Ca -0.26 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 1f1b h SER 74 Cb 1.20 -0.02 -0.22 0.00 0.14 0.00 0.00 62.40 63.50 1f1b h SER 74 CO 0.39 1.03 -0.01 -0.62 -1.14 0.00 0.00 176.83 176.47 1f1b s ASP 75 N -6.78 -0.61 0.00 3.07 3.68 -1.21 -4.65 116.67 110.17 1f1b s ASP 75 Ca 0.00 1.12 0.03 0.00 2.13 0.00 0.00 52.55 55.83 1f1b s ASP 75 Cb 0.10 1.13 0.16 0.00 -1.45 0.00 0.00 42.92 42.86 1f1b s ASP 75 CO 0.83 -0.25 0.98 -1.54 0.13 0.00 0.00 175.17 175.32 1f1b n SER 76 N 2.55 0.00 -0.02 -0.34 3.41 -1.26 -3.61 113.62 114.36 1f1b n SER 76 Ca -0.14 0.31 0.24 0.00 -0.26 0.00 0.00 58.87 59.02 1f1b n SER 76 Cb 0.56 -0.35 0.71 0.00 -0.26 0.00 0.00 64.21 64.87 1f1b n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f1b h ALA 77 N 2.15 2.42 0.00 7.33 0.00 -1.96 -2.55 119.26 126.64 1f1b h ALA 77 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1f1b h ALA 77 Cb 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1f1b h ALA 77 CO 0.00 -0.90 -0.56 0.09 0.00 0.00 0.00 179.25 177.88 1f1b n ASN 78 N -3.82 1.62 -4.80 0.00 4.13 -1.24 -4.62 115.26 106.53 1f1b n ASN 78 Ca 0.12 -3.55 -0.31 0.00 1.68 0.00 0.00 54.58 52.52 1f1b n ASN 78 Cb 0.81 -0.49 -0.06 0.00 -1.54 0.00 0.00 39.78 38.51 1f1b n ASN 78 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1f1b s THR 79 N -2.69 4.71 0.57 3.41 -4.23 -0.96 -4.98 115.64 111.47 1f1b s THR 79 Ca 0.37 -0.64 0.27 0.00 -1.18 0.00 0.00 61.69 60.50 1f1b s THR 79 Cb 0.36 -3.25 0.35 0.00 1.34 0.00 0.00 72.50 71.30 1f1b s THR 79 CO -0.08 0.17 2.13 0.28 -0.54 0.00 0.00 174.62 176.58 1f1b h SER 80 N 3.40 0.00 -0.56 3.99 0.02 -1.95 0.32 113.55 118.77 1f1b h SER 80 Ca -0.47 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.57 1f1b h SER 80 Cb 1.17 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 1f1b h SER 80 CO 0.67 0.00 0.17 0.25 -1.14 0.00 0.00 176.83 176.78 1f1b h LEU 81 N 0.00 0.12 -0.01 5.07 5.85 -1.89 0.76 115.31 125.20 1f1b h LEU 81 Ca 0.07 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1f1b h LEU 81 Cb 0.36 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1f1b h LEU 81 CO -0.00 0.08 -0.05 1.23 -0.34 0.00 0.00 178.44 179.37 1f1b h GLY 82 N 0.33 0.06 0.41 3.75 0.00 -0.52 -2.81 103.07 104.30 1f1b h GLY 82 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1f1b h GLY 82 CO -0.32 0.07 -0.97 0.28 0.00 0.00 0.00 176.54 175.61 1f1b n LYS 83 N -4.73 0.14 -0.17 4.80 4.76 -0.94 -4.41 118.16 117.61 1f1b n LYS 83 Ca -0.09 -0.01 0.09 0.00 -2.87 0.00 0.00 58.31 55.43 1f1b n LYS 83 Cb 0.34 -1.53 0.17 0.00 -1.84 0.00 0.00 35.03 32.16 1f1b n LYS 83 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1f1b n LYS 84 N -1.71 1.65 -2.91 1.97 5.02 0.25 -5.04 118.16 117.40 1f1b n LYS 84 Ca 0.03 -2.67 -0.07 0.00 -2.02 0.00 0.00 58.31 53.59 1f1b n LYS 84 Cb 0.38 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1f1b n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f1b n GLY 85 N -1.23 -2.28 2.87 0.72 0.00 -1.21 -4.95 105.19 99.11 1f1b n GLY 85 Ca 0.17 0.76 -0.13 0.00 0.00 0.00 0.00 46.02 46.83 1f1b n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f1b s GLU 86 N -1.98 0.02 0.48 1.61 2.12 -1.06 -4.97 118.70 114.91 1f1b s GLU 86 Ca 0.13 0.09 -0.22 0.00 0.36 0.00 0.00 54.97 55.33 1f1b s GLU 86 Cb -0.03 -0.06 -0.07 0.00 0.26 0.00 0.00 34.13 34.23 1f1b s GLU 86 CO 0.69 -0.05 1.18 0.95 -0.54 0.00 0.00 175.26 177.49 1f1b s THR 87 N 0.35 2.99 0.31 -1.70 -4.23 -1.26 -4.63 115.64 107.47 1f1b s THR 87 Ca -0.03 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1f1b s THR 87 Cb -0.04 -3.36 0.21 0.00 1.34 0.00 0.00 72.50 70.65 1f1b s THR 87 CO -0.01 -0.03 1.92 0.25 -0.54 0.00 0.00 174.62 176.21 1f1b h LEU 88 N 1.85 0.76 -0.53 4.79 5.85 -1.98 0.11 115.31 126.15 1f1b h LEU 88 Ca -0.50 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 1f1b h LEU 88 Cb 1.26 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1f1b h LEU 88 CO 0.59 0.65 0.33 0.00 -0.34 0.00 0.00 178.44 179.67 1f1b h ALA 89 N 1.47 0.68 -0.37 1.25 0.00 -1.97 0.64 119.26 120.97 1f1b h ALA 89 Ca 0.21 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1f1b h ALA 89 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1f1b h ALA 89 CO -0.03 0.15 -0.30 -0.44 0.00 0.00 0.00 179.25 178.63 1f1b h ASP 90 N 0.72 0.84 0.64 0.00 3.45 -1.75 0.33 116.42 120.66 1f1b h ASP 90 Ca 0.19 -0.34 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 1f1b h ASP 90 Cb -0.04 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.49 1f1b h ASP 90 CO -0.04 1.08 -0.46 0.74 -1.57 0.00 0.00 179.24 179.00 1f1b h THR 91 N 0.69 0.09 -0.01 0.35 2.02 -0.32 -1.58 112.91 114.14 1f1b h THR 91 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1f1b h THR 91 Cb 0.85 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1f1b h THR 91 CO 0.07 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.37 1f1b h ILE 92 N -1.06 0.86 0.40 3.11 1.08 -0.78 -1.28 117.51 119.83 1f1b h ILE 92 Ca -0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1f1b h ILE 92 Cb 0.87 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 1f1b h ILE 92 CO 0.04 0.00 -0.35 0.28 -0.69 0.00 0.00 178.15 177.44 1f1b h SER 93 N 0.00 -0.92 -0.33 1.72 0.02 0.43 -1.95 113.55 112.52 1f1b h SER 93 Ca 0.00 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1f1b h SER 93 Cb 0.02 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1f1b h SER 93 CO -0.00 -0.50 -0.15 -0.37 -1.14 0.00 0.00 176.83 174.67 1f1b h VAL 94 N -0.75 1.29 -0.41 2.27 -1.51 -0.71 -3.27 116.25 113.15 1f1b h VAL 94 Ca -0.03 -1.25 -0.05 0.00 -1.23 0.00 0.00 66.70 64.14 1f1b h VAL 94 Cb 0.66 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1f1b h VAL 94 CO -0.03 0.40 0.03 0.40 -1.23 0.00 0.00 177.57 177.14 1f1b h ILE 95 N 0.44 1.21 0.00 7.19 2.04 -1.25 -2.30 117.51 124.84 1f1b h ILE 95 Ca 0.07 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1f1b h ILE 95 Cb 0.67 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1f1b h ILE 95 CO 0.05 0.29 0.00 -1.54 0.00 0.00 0.00 178.15 176.95 1f1b n SER 96 N -4.27 0.00 -1.08 1.72 3.41 -0.74 -1.61 113.62 111.05 1f1b n SER 96 Ca 0.02 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.07 1f1b n SER 96 Cb 0.25 -0.37 0.25 0.00 -0.26 0.00 0.00 64.21 64.07 1f1b n SER 96 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1f1b n THR 97 N -1.37 0.52 -0.01 6.66 -2.24 -0.87 -4.58 114.28 112.38 1f1b n THR 97 Ca 0.02 -0.71 -0.02 0.00 -2.27 0.00 0.00 64.05 61.07 1f1b n THR 97 Cb 0.06 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1f1b n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1f1b n TYR 98 N 1.32 0.00 -3.21 4.78 4.01 -0.63 -5.09 117.16 118.33 1f1b n TYR 98 Ca 0.19 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.74 1f1b n TYR 98 Cb 0.56 -0.09 0.01 0.00 -0.31 0.00 0.00 39.34 39.50 1f1b n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1f1b s VAL 99 N -2.05 2.67 -0.79 -0.72 -7.23 -1.21 -4.95 120.40 106.13 1f1b s VAL 99 Ca -0.03 -1.12 0.22 0.00 -1.81 0.00 0.00 61.98 59.24 1f1b s VAL 99 Cb 0.01 -2.79 -0.20 0.00 0.56 0.00 0.00 36.38 33.96 1f1b s VAL 99 CO 0.05 0.00 0.92 0.47 -0.31 0.00 0.00 175.10 176.23 1f1b n ASP 100 N -1.84 0.73 -3.58 4.85 10.43 0.66 -4.89 116.55 122.92 1f1b n ASP 100 Ca 0.08 -0.63 -0.11 0.00 2.57 0.00 0.00 54.79 56.70 1f1b n ASP 100 Cb 0.61 1.02 -0.05 0.00 1.84 0.00 0.00 41.12 44.53 1f1b n ASP 100 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1f1b s ALA 101 N -3.11 -1.91 -0.10 2.24 0.00 -1.25 -4.33 121.76 113.29 1f1b s ALA 101 Ca 0.05 1.58 0.03 0.00 0.00 0.00 0.00 51.96 53.63 1f1b s ALA 101 Cb 0.16 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1f1b s ALA 101 CO 0.84 -0.31 -0.20 0.42 0.00 0.00 0.00 175.76 176.51 1f1b s ILE 102 N -0.99 1.81 -0.17 0.00 1.01 -0.56 -1.71 121.20 120.58 1f1b s ILE 102 Ca -0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 1f1b s ILE 102 Cb -0.01 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1f1b s ILE 102 CO 0.02 0.50 -0.08 -0.69 0.00 0.00 0.00 174.94 174.69 1f1b s VAL 103 N 0.57 3.31 -0.05 2.92 1.01 -0.73 -0.03 120.40 127.40 1f1b s VAL 103 Ca -0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1f1b s VAL 103 Cb -0.17 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1f1b s VAL 103 CO 0.05 0.48 0.20 0.00 0.00 0.00 0.00 175.10 175.83 1f1b s MET 104 N 0.77 0.35 -0.04 2.72 0.23 -0.91 -0.91 119.30 121.52 1f1b s MET 104 Ca -0.03 0.03 0.07 0.00 -1.03 0.00 0.00 55.69 54.73 1f1b s MET 104 Cb -0.15 0.16 -0.01 0.00 -1.53 0.00 0.00 34.83 33.30 1f1b s MET 104 CO 0.01 -0.07 -0.25 0.50 -2.03 0.00 0.00 175.02 173.18 1f1b s ARG 105 N -0.48 2.36 0.02 3.16 3.52 -0.99 0.32 118.95 126.87 1f1b s ARG 105 Ca -0.06 -0.91 -0.06 0.00 -0.13 0.00 0.00 55.73 54.57 1f1b s ARG 105 Cb -0.04 -2.10 -0.00 0.00 -1.56 0.00 0.00 34.95 31.25 1f1b s ARG 105 CO 0.01 0.45 0.12 -1.58 -0.81 0.00 0.00 175.30 173.49 1f1b s HIS 106 N -0.34 0.13 -0.62 5.12 2.46 -0.43 -1.31 115.29 120.31 1f1b s HIS 106 Ca 0.02 -0.34 0.25 0.00 0.47 0.00 0.00 55.06 55.46 1f1b s HIS 106 Cb -0.12 -0.10 0.89 0.00 -0.13 0.00 0.00 32.58 33.12 1f1b s HIS 106 CO 0.02 -0.34 1.75 -0.35 -2.47 0.00 0.00 174.74 173.35 1f1b n PRO 107 N 1.03 0.24 -4.40 2.88 -0.04 -1.26 -0.92 135.00 132.53 1f1b n PRO 107 Ca -0.21 0.31 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 1f1b n PRO 107 Cb 0.57 -1.84 -0.11 0.00 -0.04 0.00 0.00 33.50 32.08 1f1b n PRO 107 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1f1b s GLN 108 N -3.20 3.32 0.32 0.54 -0.21 -1.26 -4.04 119.66 115.12 1f1b s GLN 108 Ca 0.08 -0.47 -0.29 0.00 0.02 0.00 0.00 55.36 54.69 1f1b s GLN 108 Cb 0.11 -2.84 -0.11 0.00 1.00 0.00 0.00 33.01 31.16 1f1b s GLN 108 CO 0.51 0.47 1.58 0.39 -2.12 0.00 0.00 175.29 176.12 1f1b n GLU 109 N 2.86 2.73 -0.50 2.91 4.71 -1.25 -2.66 120.64 129.44 1f1b n GLU 109 Ca -0.18 0.97 0.00 0.00 -0.01 0.00 0.00 57.16 57.94 1f1b n GLU 109 Cb 0.53 -2.74 0.00 0.00 -1.01 0.00 0.00 31.44 28.22 1f1b n GLU 109 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1f1b n GLY 110 N 1.72 0.75 0.24 0.62 0.00 -1.26 -4.97 105.19 102.29 1f1b n GLY 110 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1f1b n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1b h ALA 111 N 0.00 0.69 -0.55 4.61 0.00 -1.84 -2.09 119.26 120.07 1f1b h ALA 111 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1f1b h ALA 111 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1f1b h ALA 111 CO 0.00 0.32 0.26 0.00 0.00 0.00 0.00 179.25 179.83 1f1b h ALA 112 N 1.04 0.71 -0.82 0.00 0.00 -1.92 -1.28 119.26 116.99 1f1b h ALA 112 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1f1b h ALA 112 Cb 0.24 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1f1b h ALA 112 CO -0.01 0.28 0.46 -0.09 0.00 0.00 0.00 179.25 179.89 1f1b h ARG 113 N 0.74 1.14 0.41 0.00 9.65 -1.91 -1.84 114.38 122.57 1f1b h ARG 113 Ca 0.19 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1f1b h ARG 113 Cb 0.13 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 1f1b h ARG 113 CO -0.02 0.82 -0.26 1.25 2.80 0.00 0.00 179.97 184.56 1f1b h LEU 114 N 1.15 -0.66 -1.25 3.80 7.12 -1.08 -2.17 115.31 122.22 1f1b h LEU 114 Ca 0.29 0.04 0.32 0.00 0.13 0.00 0.00 57.88 58.66 1f1b h LEU 114 Cb 0.01 0.20 -0.12 0.00 -0.53 0.00 0.00 40.66 40.22 1f1b h LEU 114 CO -0.05 -0.41 0.68 0.00 -0.13 0.00 0.00 178.44 178.53 1f1b h ALA 115 N -0.11 2.24 0.00 1.25 0.00 -0.46 0.56 119.26 122.73 1f1b h ALA 115 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f1b h ALA 115 Cb 0.54 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1f1b h ALA 115 CO 0.04 -0.76 0.00 0.25 0.00 0.00 0.00 179.25 178.78 1f1b n THR 116 N -4.78 0.07 -0.53 0.00 -2.24 -0.79 -1.37 114.28 104.65 1f1b n THR 116 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1f1b n THR 116 Cb 1.03 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1f1b n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f1b n GLU 117 N 0.19 1.22 0.00 -0.78 1.02 0.19 -4.69 120.64 117.80 1f1b n GLU 117 Ca 0.00 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 1f1b n GLU 117 Cb 0.20 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1f1b n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1f1b n PHE 118 N -0.21 0.00 1.90 -0.32 3.01 -0.82 -4.86 117.46 116.16 1f1b n PHE 118 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.62 1f1b n PHE 118 Cb 0.36 0.02 0.89 0.00 -0.01 0.00 0.00 39.48 40.74 1f1b n PHE 118 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1f1b n SER 119 N 0.00 0.17 0.00 4.37 3.41 -0.47 -4.12 113.62 116.98 1f1b n SER 119 Ca 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1f1b n SER 119 Cb 0.24 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1f1b n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f1b n GLY 120 N 1.04 3.41 0.00 5.00 0.00 -1.26 -1.52 105.19 111.87 1f1b n GLY 120 Ca 0.23 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.25 1f1b n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f1b n ASN 121 N 9.09 0.66 -4.69 1.61 6.94 -1.26 -4.92 115.26 122.69 1f1b n ASN 121 Ca 0.00 -0.46 -0.42 0.00 -0.02 0.00 0.00 54.58 53.68 1f1b n ASN 121 Cb 0.00 1.48 -0.03 0.00 -2.36 0.00 0.00 39.78 38.87 1f1b n ASN 121 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1f1b s VAL 122 N -3.12 3.31 0.67 3.53 1.01 -0.58 -4.99 120.40 120.23 1f1b s VAL 122 Ca -0.00 0.74 -0.14 0.00 0.00 0.00 0.00 61.98 62.57 1f1b s VAL 122 Cb 0.14 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1f1b s VAL 122 CO 0.82 -0.00 1.10 -2.16 0.00 0.00 0.00 175.10 174.85 1f1b s PRO 123 N 2.51 2.80 -0.08 2.72 0.04 -1.26 -4.74 135.00 136.99 1f1b s PRO 123 Ca 0.70 1.30 0.04 0.00 0.04 0.00 0.00 61.00 63.07 1f1b s PRO 123 Cb -0.36 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 1f1b s PRO 123 CO 0.30 -1.24 -0.22 0.08 0.04 0.00 0.00 177.00 175.96 1f1b s VAL 124 N -2.50 2.30 -0.23 -0.36 1.01 -1.26 -1.50 120.40 117.87 1f1b s VAL 124 Ca 0.65 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1f1b s VAL 124 Cb -0.19 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1f1b s VAL 124 CO 0.44 0.56 -0.04 -0.76 0.00 0.00 0.00 175.10 175.31 1f1b s LEU 125 N 0.01 2.95 -0.54 3.92 1.43 0.95 -1.27 118.68 126.14 1f1b s LEU 125 Ca -0.08 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.32 1f1b s LEU 125 Cb -0.15 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1f1b s LEU 125 CO 0.05 -0.03 1.28 0.21 0.23 0.00 0.00 176.35 178.09 1f1b s ASN 126 N 1.48 6.36 0.00 2.29 2.47 -0.37 -2.15 114.94 125.01 1f1b s ASN 126 Ca 0.05 0.30 0.28 0.00 0.42 0.00 0.00 52.86 53.92 1f1b s ASN 126 Cb -0.14 -2.55 1.43 0.00 -1.45 0.00 0.00 41.25 38.53 1f1b s ASN 126 CO -0.03 -1.52 1.95 0.00 -3.72 0.00 0.00 177.10 173.78 1f1b n ALA 127 N 8.77 2.63 0.00 1.71 0.00 0.15 -4.25 120.51 129.52 1f1b n ALA 127 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1f1b n ALA 127 Cb 0.49 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1f1b n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f1b n GLY 128 N 1.06 3.39 3.01 0.00 0.00 -1.24 -4.78 105.19 106.64 1f1b n GLY 128 Ca 0.21 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1f1b n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1f1b s ASP 129 N 0.00 4.72 1.31 1.61 3.84 -1.03 -1.31 116.67 125.81 1f1b s ASP 129 Ca 0.00 -2.94 0.00 0.00 -0.00 0.00 0.00 52.55 49.61 1f1b s ASP 129 Cb 0.00 -1.73 0.00 0.00 -1.38 0.00 0.00 42.92 39.81 1f1b s ASP 129 CO 0.00 -0.29 0.00 0.61 -0.00 0.00 0.00 175.17 175.49 1f1b n GLY 130 N 3.28 2.84 1.04 2.12 0.00 -0.10 -1.64 105.19 112.74 1f1b n GLY 130 Ca 0.06 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.84 1f1b n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1f1b n SER 131 N 3.26 3.03 0.00 1.61 3.41 -1.26 -4.74 113.62 118.92 1f1b n SER 131 Ca 0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1f1b n SER 131 Cb 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1f1b n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1f1b n ASN 132 N 1.08 0.00 -4.52 4.04 5.15 -0.65 -4.15 115.26 116.20 1f1b n ASN 132 Ca 0.19 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.93 1f1b n ASN 132 Cb 0.49 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.65 1f1b n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1f1b s GLN 133 N 0.00 1.86 -0.41 1.20 -1.52 -1.26 -4.48 119.66 115.05 1f1b s GLN 133 Ca 0.00 -1.66 0.09 0.00 -1.95 0.00 0.00 55.36 51.84 1f1b s GLN 133 Cb 0.00 -1.89 0.28 0.00 -0.22 0.00 0.00 33.01 31.19 1f1b s GLN 133 CO 0.00 0.34 0.71 1.58 -0.25 0.00 0.00 175.29 177.67 1f1b n HIS 134 N -0.68 -1.02 -0.30 0.91 -0.00 -1.25 -2.48 115.22 110.41 1f1b n HIS 134 Ca -0.06 -3.16 0.15 0.00 -0.00 0.00 0.00 57.72 54.66 1f1b n HIS 134 Cb 0.60 0.19 0.40 0.00 -0.00 0.00 0.00 29.99 31.17 1f1b n HIS 134 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1f1b h PRO 135 N 3.61 0.61 0.00 1.57 0.13 -1.84 -1.62 132.00 134.46 1f1b h PRO 135 Ca 0.02 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 1f1b h PRO 135 Cb 0.96 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1f1b h PRO 135 CO 0.41 0.41 -0.59 1.79 -0.23 0.00 0.00 178.00 179.79 1f1b h THR 136 N 0.63 1.10 -0.85 1.56 1.35 -1.92 -3.03 112.91 111.75 1f1b h THR 136 Ca 0.51 -2.31 0.02 0.00 -0.55 0.00 0.00 66.41 64.08 1f1b h THR 136 Cb 0.96 2.38 -0.05 0.00 -1.73 0.00 0.00 68.15 69.71 1f1b h THR 136 CO -0.27 0.58 0.56 -0.61 -0.25 0.00 0.00 175.52 175.53 1f1b h GLN 137 N 0.00 1.08 -0.49 4.72 5.75 -1.66 -1.93 115.11 122.58 1f1b h GLN 137 Ca -0.01 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1f1b h GLN 137 Cb 1.33 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 1f1b h GLN 137 CO 0.08 0.72 0.32 1.15 -2.65 0.00 0.00 178.83 178.44 1f1b h THR 138 N 1.12 1.10 -0.84 2.39 2.02 -1.41 0.12 112.91 117.40 1f1b h THR 138 Ca 0.32 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.35 1f1b h THR 138 Cb -0.08 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 66.67 1f1b h THR 138 CO -0.09 0.12 0.51 -0.07 0.37 0.00 0.00 175.52 176.36 1f1b h LEU 139 N 0.64 0.79 -0.27 2.58 3.38 -1.28 0.34 115.31 121.49 1f1b h LEU 139 Ca 0.19 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1f1b h LEU 139 Cb -0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1f1b h LEU 139 CO -0.06 0.50 -0.23 0.25 0.09 0.00 0.00 178.44 178.99 1f1b h LEU 140 N 0.92 0.66 -0.21 1.67 5.85 -0.84 -0.18 115.31 123.18 1f1b h LEU 140 Ca 0.37 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1f1b h LEU 140 Cb 0.20 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1f1b h LEU 140 CO -0.19 0.98 0.13 0.44 -0.34 0.00 0.00 178.44 179.47 1f1b h ASP 141 N 0.35 0.24 0.39 1.25 3.45 -0.06 -0.92 116.42 121.12 1f1b h ASP 141 Ca 0.05 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1f1b h ASP 141 Cb 0.78 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 1f1b h ASP 141 CO 0.06 0.21 -0.27 -0.07 -1.57 0.00 0.00 179.24 177.59 1f1b h LEU 142 N 0.26 -0.69 -0.99 1.55 3.38 -0.32 0.23 115.31 118.72 1f1b h LEU 142 Ca 0.07 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.33 1f1b h LEU 142 Cb 0.00 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 40.85 1f1b h LEU 142 CO -0.01 -0.42 0.58 0.15 0.09 0.00 0.00 178.44 178.83 1f1b h PHE 143 N -0.65 0.99 -0.08 1.13 3.04 -0.88 -0.06 116.94 120.44 1f1b h PHE 143 Ca -0.04 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1f1b h PHE 143 Cb 0.55 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1f1b h PHE 143 CO -0.12 0.07 -0.20 1.15 -2.02 0.00 0.00 178.31 177.19 1f1b h THR 144 N 0.59 1.42 0.48 4.41 2.02 -0.27 -2.12 112.91 119.44 1f1b h THR 144 Ca 0.63 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1f1b h THR 144 Cb 1.17 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 1f1b h THR 144 CO -0.47 0.44 -0.39 0.40 0.37 0.00 0.00 175.52 175.88 1f1b h ILE 145 N -0.21 0.22 -0.96 3.11 2.04 0.47 -0.37 117.51 121.80 1f1b h ILE 145 Ca -0.00 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.05 1f1b h ILE 145 Cb 0.82 0.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 1f1b h ILE 145 CO 0.04 0.00 0.61 -0.61 0.00 0.00 0.00 178.15 178.20 1f1b h GLN 146 N -0.86 0.58 -0.33 2.37 4.15 -1.13 0.55 115.11 120.43 1f1b h GLN 146 Ca -0.05 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 1f1b h GLN 146 Cb 0.73 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 1f1b h GLN 146 CO -0.01 0.38 0.00 1.49 -1.93 0.00 0.00 178.83 178.77 1f1b h GLU 147 N 0.60 0.51 0.00 1.69 4.81 -0.58 -1.66 114.58 119.96 1f1b h GLU 147 Ca 0.53 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1f1b h GLU 147 Cb 1.04 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1f1b h GLU 147 CO -0.28 0.54 -0.89 0.25 -0.73 0.00 0.00 179.01 177.90 1f1b n THR 148 N -4.28 0.00 0.28 0.32 -2.24 0.15 -4.45 114.28 104.07 1f1b n THR 148 Ca 0.01 -0.17 0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1f1b n THR 148 Cb 0.24 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 1f1b n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f1b n GLN 149 N -1.47 4.63 0.00 -0.78 1.13 0.90 -4.99 117.38 116.80 1f1b n GLN 149 Ca 0.02 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1f1b n GLN 149 Cb 0.27 -0.82 0.00 0.00 0.11 0.00 0.00 30.24 29.80 1f1b n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1f1b n GLY 150 N 1.21 3.01 2.69 1.08 0.00 -0.62 -4.93 105.19 107.63 1f1b n GLY 150 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1f1b n GLY 150 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1f1b n ARG 151 N -1.90 0.36 0.00 1.61 1.85 -1.26 -4.95 116.66 112.37 1f1b n ARG 151 Ca 0.00 -2.80 0.00 0.00 -1.00 0.00 0.00 57.85 54.05 1f1b n ARG 151 Cb 0.00 2.24 0.00 0.00 -1.05 0.00 0.00 32.46 33.65 1f1b n ARG 151 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1f1b n LEU 152 N 0.00 0.26 -4.50 2.89 4.77 -1.26 -4.03 117.00 115.14 1f1b n LEU 152 Ca 0.06 -0.27 -0.31 0.00 -0.03 0.00 0.00 56.01 55.46 1f1b n LEU 152 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1f1b n LEU 152 CO 0.26 0.07 -0.46 -1.81 -1.33 0.00 0.00 177.39 174.11 1f1b s ASP 153 N -0.02 4.03 -1.11 -1.43 -0.00 -1.26 -4.68 116.67 112.21 1f1b s ASP 153 Ca 0.00 -0.38 -0.07 0.00 -0.00 0.00 0.00 52.55 52.10 1f1b s ASP 153 Cb 0.00 -0.72 -0.04 0.00 -0.00 0.00 0.00 42.92 42.16 1f1b s ASP 153 CO 0.00 0.24 0.90 0.59 -0.00 0.00 0.00 175.17 176.90 1f1b n ASN 154 N 1.38 -5.21 -4.55 0.27 3.02 0.53 -4.81 115.26 105.88 1f1b n ASN 154 Ca -0.16 -0.75 -0.26 0.00 -0.03 0.00 0.00 54.58 53.38 1f1b n ASN 154 Cb 0.52 -4.83 -0.11 0.00 -0.61 0.00 0.00 39.78 34.76 1f1b n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1f1b s LEU 155 N -5.83 2.72 -0.15 3.41 1.43 -1.12 -4.79 118.68 114.35 1f1b s LEU 155 Ca 0.35 -1.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 1f1b s LEU 155 Cb -0.06 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.28 1f1b s LEU 155 CO 0.76 -0.32 -0.17 -1.00 0.23 0.00 0.00 176.35 175.86 1f1b s HIS 156 N -2.72 2.38 -0.19 0.29 3.76 -1.26 0.54 115.29 118.08 1f1b s HIS 156 Ca 0.33 -1.33 0.01 0.00 -0.15 0.00 0.00 55.06 53.92 1f1b s HIS 156 Cb 0.05 -1.70 0.03 0.00 1.11 0.00 0.00 32.58 32.08 1f1b s HIS 156 CO 0.16 -0.69 -0.15 0.08 -0.85 0.00 0.00 174.74 173.30 1f1b s VAL 157 N 1.31 1.88 -0.23 -0.90 1.01 -0.62 -1.26 120.40 121.59 1f1b s VAL 157 Ca 0.03 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1f1b s VAL 157 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1f1b s VAL 157 CO -0.10 0.33 0.17 0.00 0.00 0.00 0.00 175.10 175.50 1f1b s ALA 158 N 1.32 3.62 -0.22 5.51 0.00 -0.27 -0.32 121.76 131.41 1f1b s ALA 158 Ca 0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1f1b s ALA 158 Cb -0.15 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.66 1f1b s ALA 158 CO -0.10 -0.12 -0.08 -1.64 0.00 0.00 0.00 175.76 173.82 1f1b s MET 159 N 0.91 3.15 0.14 0.00 -1.94 0.54 -0.92 119.30 121.17 1f1b s MET 159 Ca 0.09 -0.77 0.09 0.00 -1.71 0.00 0.00 55.69 53.39 1f1b s MET 159 Cb -0.13 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.76 1f1b s MET 159 CO 0.03 -0.26 -0.14 0.08 -0.01 0.00 0.00 175.02 174.73 1f1b s VAL 160 N 1.40 3.05 0.00 -6.03 1.01 -0.81 -0.57 120.40 118.45 1f1b s VAL 160 Ca 0.04 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.49 1f1b s VAL 160 Cb -0.15 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1f1b s VAL 160 CO -0.06 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1f1b n GLY 161 N 0.50 0.29 3.40 4.51 0.00 -1.07 -1.75 105.19 111.07 1f1b n GLY 161 Ca -0.13 -1.87 -0.44 0.00 0.00 0.00 0.00 46.02 43.58 1f1b n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f1b s ASP 162 N -4.00 6.29 0.21 1.61 3.68 -1.23 -4.45 116.67 118.78 1f1b s ASP 162 Ca 0.00 -1.51 0.23 0.00 2.13 0.00 0.00 52.55 53.41 1f1b s ASP 162 Cb 0.00 -2.34 0.25 0.00 -1.45 0.00 0.00 42.92 39.38 1f1b s ASP 162 CO 0.00 -1.15 1.30 -0.07 0.13 0.00 0.00 175.17 175.38 1f1b h LEU 163 N 10.24 0.00 0.27 -1.34 3.38 -1.75 -2.34 115.31 123.77 1f1b h LEU 163 Ca -0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1f1b h LEU 163 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1f1b h LEU 163 CO 1.10 0.04 -0.13 0.50 0.09 0.00 0.00 178.44 180.04 1f1b h LYS 164 N 0.00 -0.35 0.00 1.13 3.64 -1.19 -3.34 116.57 116.46 1f1b h LYS 164 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1f1b h LYS 164 Cb 0.88 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1f1b h LYS 164 CO 0.00 -0.01 -1.22 0.66 -2.27 0.00 0.00 179.45 176.62 1f1b n TYR 165 N -5.08 0.18 -1.58 1.91 4.01 -1.26 -4.80 117.16 110.55 1f1b n TYR 165 Ca -0.09 0.05 -0.13 0.00 -0.16 0.00 0.00 57.90 57.57 1f1b n TYR 165 Cb 0.26 -0.37 -0.07 0.00 -0.31 0.00 0.00 39.34 38.85 1f1b n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1f1b s GLY 166 N -3.72 -0.83 0.59 2.72 0.00 -0.88 -4.52 107.32 100.69 1f1b s GLY 166 Ca 0.02 -0.83 0.30 0.00 0.00 0.00 0.00 44.72 44.21 1f1b s GLY 166 CO 0.84 4.23 2.22 0.07 0.00 0.00 0.00 173.10 180.45 1f1b h ARG 167 N 12.63 0.00 -0.04 2.90 0.11 -1.79 -1.10 114.38 127.09 1f1b h ARG 167 Ca 0.00 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 1f1b h ARG 167 Cb 1.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 1f1b h ARG 167 CO 1.01 0.00 -0.58 1.79 0.10 0.00 0.00 179.97 182.29 1f1b h THR 168 N 0.00 1.40 0.00 0.08 1.35 -1.86 -2.78 112.91 111.09 1f1b h THR 168 Ca 0.02 -1.95 -0.06 0.00 -0.55 0.00 0.00 66.41 63.87 1f1b h THR 168 Cb 0.14 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1f1b h THR 168 CO -0.00 0.57 -0.30 -0.37 -0.25 0.00 0.00 175.52 175.17 1f1b h VAL 169 N 0.09 0.53 0.61 6.82 -1.51 -1.58 -2.16 116.25 119.05 1f1b h VAL 169 Ca -0.00 -1.68 -0.03 0.00 -1.23 0.00 0.00 66.70 63.75 1f1b h VAL 169 Cb 1.04 2.21 0.01 0.00 -2.13 0.00 0.00 31.29 32.42 1f1b h VAL 169 CO 0.08 0.29 -0.29 0.45 -1.23 0.00 0.00 177.57 176.87 1f1b h HIS 170 N 0.00 -0.76 0.47 5.19 3.86 -1.19 -2.43 115.15 120.29 1f1b h HIS 170 Ca -0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1f1b h HIS 170 Cb 1.18 0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.90 1f1b h HIS 170 CO 0.00 -0.45 -0.34 0.77 0.86 0.00 0.00 177.93 178.77 1f1b h SER 171 N -1.19 -0.88 -0.85 2.45 0.02 -1.61 -2.40 113.55 109.09 1f1b h SER 171 Ca -0.08 0.06 0.16 0.00 -0.84 0.00 0.00 61.79 61.09 1f1b h SER 171 Cb 0.64 0.27 -0.16 0.00 0.14 0.00 0.00 62.40 63.29 1f1b h SER 171 CO 0.14 -0.49 -0.25 0.25 -1.14 0.00 0.00 176.83 175.34 1f1b h LEU 172 N -0.77 -0.90 -0.39 5.07 5.85 -1.53 -0.01 115.31 122.63 1f1b h LEU 172 Ca -0.06 0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1f1b h LEU 172 Cb 0.63 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1f1b h LEU 172 CO 0.03 -0.29 0.18 0.74 -0.34 0.00 0.00 178.44 178.76 1f1b h THR 173 N -0.02 1.18 0.00 1.05 2.02 -1.38 0.27 112.91 116.04 1f1b h THR 173 Ca 0.39 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1f1b h THR 173 Cb 0.62 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1f1b h THR 173 CO -0.88 0.19 0.00 1.56 0.37 0.00 0.00 175.52 176.76 1f1b h GLN 174 N 0.48 0.00 0.06 6.66 4.20 -0.54 -1.45 115.11 124.53 1f1b h GLN 174 Ca 0.13 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1f1b h GLN 174 Cb 0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1f1b h GLN 174 CO -0.02 0.00 -0.35 0.00 -0.67 0.00 0.00 178.83 177.80 1f1b h ALA 175 N 2.03 -0.04 0.00 3.87 0.00 0.19 -3.30 119.26 122.01 1f1b h ALA 175 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1f1b h ALA 175 Cb 0.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1f1b h ALA 175 CO 0.00 0.16 0.00 -0.07 0.00 0.00 0.00 179.25 179.34 1f1b h LEU 176 N -0.73 0.00 -1.00 0.00 3.38 -0.71 -2.70 115.31 113.55 1f1b h LEU 176 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1f1b h LEU 176 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1f1b h LEU 176 CO 0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1f1b n ALA 177 N -1.91 2.56 0.67 1.53 0.00 -0.57 -3.13 120.51 119.67 1f1b n ALA 177 Ca 0.02 -0.41 0.07 0.00 0.00 0.00 0.00 53.44 53.12 1f1b n ALA 177 Cb 0.30 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 1f1b n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f1b n LYS 178 N 0.14 1.90 -2.05 0.00 5.02 -1.02 -4.96 118.16 117.19 1f1b n LYS 178 Ca 0.07 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 1f1b n LYS 178 Cb 0.26 -1.22 0.02 0.00 -0.02 0.00 0.00 35.03 34.06 1f1b n LYS 178 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1f1b n PHE 179 N -1.40 -2.20 -4.41 2.13 3.72 -1.18 -4.85 117.46 109.27 1f1b n PHE 179 Ca 0.03 -0.94 -0.26 0.00 -0.05 0.00 0.00 57.45 56.23 1f1b n PHE 179 Cb 0.25 -0.22 -0.12 0.00 -0.94 0.00 0.00 39.48 38.45 1f1b n PHE 179 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1f1b s ASP 180 N -2.50 3.30 0.00 4.37 1.01 -1.26 -4.75 116.67 116.84 1f1b s ASP 180 Ca 0.22 -0.86 0.00 0.00 0.71 0.00 0.00 52.55 52.62 1f1b s ASP 180 Cb -0.02 -0.24 0.00 0.00 1.01 0.00 0.00 42.92 43.68 1f1b s ASP 180 CO 0.14 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.23 1f1b n GLY 181 N 0.30 2.20 3.63 0.21 0.00 -1.26 0.20 105.19 110.46 1f1b n GLY 181 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1f1b n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1b s ASN 182 N -3.57 6.73 -0.11 1.61 0.01 -1.26 -2.78 114.94 115.57 1f1b s ASN 182 Ca 0.00 1.19 -0.05 0.00 -0.71 0.00 0.00 52.86 53.28 1f1b s ASN 182 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1f1b s ASN 182 CO 0.00 -1.04 0.09 -0.60 -1.51 0.00 0.00 177.10 174.04 1f1b s ARG 183 N 4.06 3.34 0.14 -0.60 3.52 0.19 -4.63 118.95 124.97 1f1b s ARG 183 Ca 0.54 -0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.97 1f1b s ARG 183 Cb -0.16 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 1f1b s ARG 183 CO 0.22 0.71 -0.00 -0.06 -0.81 0.00 0.00 175.30 175.35 1f1b s PHE 184 N -0.85 2.89 -0.12 5.12 0.08 -0.37 -1.59 117.98 123.13 1f1b s PHE 184 Ca 0.13 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.07 1f1b s PHE 184 Cb -0.12 -1.44 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1f1b s PHE 184 CO 0.03 0.50 -0.04 0.71 -0.10 0.00 0.00 175.22 176.32 1f1b s TYR 185 N -1.55 1.26 -0.25 0.36 1.51 0.57 -1.52 117.35 117.73 1f1b s TYR 185 Ca 0.26 -0.69 -0.09 0.00 -1.01 0.00 0.00 57.07 55.55 1f1b s TYR 185 Cb -0.10 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1f1b s TYR 185 CO 0.18 -0.50 0.12 -0.06 -1.11 0.00 0.00 175.55 174.18 1f1b s PHE 186 N 1.78 3.17 -0.38 2.71 2.99 -0.14 -0.34 117.98 127.77 1f1b s PHE 186 Ca 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 56.93 56.88 1f1b s PHE 186 Cb -0.14 -2.26 0.11 0.00 0.00 0.00 0.00 43.02 40.73 1f1b s PHE 186 CO -0.07 -0.18 0.11 0.42 -0.00 0.00 0.00 175.22 175.49 1f1b s ILE 187 N 1.43 2.14 0.03 0.64 1.01 0.26 -2.75 121.20 123.98 1f1b s ILE 187 Ca 0.06 -2.45 -0.19 0.00 0.00 0.00 0.00 60.65 58.07 1f1b s ILE 187 Cb -0.15 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 39.79 1f1b s ILE 187 CO 0.06 -0.66 0.42 0.00 0.00 0.00 0.00 174.94 174.75 1f1b s ALA 188 N 0.71 -1.04 0.19 9.38 0.00 -1.26 -2.60 121.76 127.14 1f1b s ALA 188 Ca 0.12 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.15 1f1b s ALA 188 Cb -0.20 0.31 -0.09 0.00 0.00 0.00 0.00 23.12 23.13 1f1b s ALA 188 CO -0.08 -0.44 1.41 -1.25 0.00 0.00 0.00 175.76 175.40 1f1b s PRO 189 N -2.31 4.31 0.23 0.00 0.04 -1.26 -4.82 135.00 131.18 1f1b s PRO 189 Ca -0.06 2.18 0.10 0.00 0.04 0.00 0.00 61.00 63.26 1f1b s PRO 189 Cb -0.01 -3.18 0.77 0.00 0.04 0.00 0.00 34.50 32.12 1f1b s PRO 189 CO -0.01 -0.41 1.01 -0.25 0.04 0.00 0.00 177.00 177.39 1f1b n ASP 190 N 3.09 0.15 0.21 6.66 8.00 -1.26 0.93 116.55 134.33 1f1b n ASP 190 Ca 0.09 1.07 0.08 0.00 0.71 0.00 0.00 54.79 56.74 1f1b n ASP 190 Cb 0.41 -0.49 0.42 0.00 -0.02 0.00 0.00 41.12 41.44 1f1b n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f1b h ALA 191 N 1.29 1.04 -0.87 2.24 0.00 -2.01 -2.85 119.26 118.09 1f1b h ALA 191 Ca 0.51 -0.26 -0.61 0.00 0.00 0.00 0.00 54.91 54.55 1f1b h ALA 191 Cb 1.28 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.68 1f1b h ALA 191 CO -0.52 0.36 0.11 1.28 0.00 0.00 0.00 179.25 180.47 1f1b n LEU 192 N -3.49 6.39 -4.72 0.00 4.77 0.27 -4.93 117.00 115.28 1f1b n LEU 192 Ca -0.00 -4.47 -0.30 0.00 -0.03 0.00 0.00 56.01 51.21 1f1b n LEU 192 Cb 0.45 -0.69 0.13 0.00 -2.33 0.00 0.00 43.42 40.98 1f1b n LEU 192 CO 0.35 1.74 0.67 0.00 -1.33 0.00 0.00 177.39 178.82 1f1b s ALA 193 N -3.71 1.68 0.27 -1.18 0.00 -1.08 -2.37 121.76 115.37 1f1b s ALA 193 Ca 0.58 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 1f1b s ALA 193 Cb 0.46 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 20.26 1f1b s ALA 193 CO 0.01 -2.26 1.31 1.41 0.00 0.00 0.00 175.76 176.23 1f1b s MET 194 N -4.90 4.38 0.60 0.00 1.75 -1.26 -2.57 119.30 117.30 1f1b s MET 194 Ca 0.63 2.14 -0.20 0.00 -1.25 0.00 0.00 55.69 57.01 1f1b s MET 194 Cb -0.18 -3.13 -0.03 0.00 2.84 0.00 0.00 34.83 34.33 1f1b s MET 194 CO 0.57 -0.20 1.32 -2.30 -0.65 0.00 0.00 175.02 173.75 1f1b n PRO 195 N 1.63 1.39 -0.21 4.11 -0.02 -1.26 -4.93 135.00 135.70 1f1b n PRO 195 Ca 0.03 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 62.02 1f1b n PRO 195 Cb 0.42 -2.54 0.09 0.00 -0.02 0.00 0.00 33.50 31.45 1f1b n PRO 195 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1f1b h GLN 196 N 0.96 0.57 -0.38 -0.52 5.75 -2.01 -2.47 115.11 117.02 1f1b h GLN 196 Ca -0.51 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.07 1f1b h GLN 196 Cb 1.32 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 1f1b h GLN 196 CO 0.55 0.38 0.40 0.10 -2.65 0.00 0.00 178.83 177.60 1f1b h TYR 197 N 0.59 0.00 0.00 3.99 -0.00 -2.00 0.16 116.97 119.72 1f1b h TYR 197 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.79 1f1b h TYR 197 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.92 1f1b h TYR 197 CO -0.10 0.00 -1.24 0.82 -0.00 0.00 0.00 178.16 177.64 1f1b h ILE 198 N 0.00 1.26 0.11 -0.90 1.08 -1.82 -2.97 117.51 114.27 1f1b h ILE 198 Ca 0.18 -2.98 -0.30 0.00 -0.39 0.00 0.00 64.86 61.37 1f1b h ILE 198 Cb 0.97 2.61 0.03 0.00 -3.07 0.00 0.00 36.82 37.36 1f1b h ILE 198 CO -0.00 0.72 -1.23 -0.07 -0.69 0.00 0.00 178.15 176.88 1f1b h LEU 199 N 0.00 0.88 -0.57 1.44 3.38 -0.75 -1.56 115.31 118.12 1f1b h LEU 199 Ca -0.12 -0.80 0.08 0.00 0.09 0.00 0.00 57.88 57.13 1f1b h LEU 199 Cb 1.81 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 42.23 1f1b h LEU 199 CO 0.10 1.60 0.23 0.44 0.09 0.00 0.00 178.44 180.90 1f1b h ASP 200 N 0.29 0.26 -0.41 -0.43 5.19 -1.15 -0.21 116.42 119.96 1f1b h ASP 200 Ca -0.18 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.23 1f1b h ASP 200 Cb 1.90 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 41.42 1f1b h ASP 200 CO 0.24 0.17 0.06 -0.03 -3.12 0.00 0.00 179.24 176.55 1f1b h MET 201 N 0.43 0.76 0.18 3.56 4.05 -1.49 0.43 114.93 122.85 1f1b h MET 201 Ca 0.28 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1f1b h MET 201 Cb 0.30 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1f1b h MET 201 CO -0.26 0.73 -0.09 -0.07 0.23 0.00 0.00 176.91 177.44 1f1b h LEU 202 N 0.72 -0.21 -0.28 3.39 3.38 -0.45 -2.36 115.31 119.51 1f1b h LEU 202 Ca 0.15 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1f1b h LEU 202 Cb 0.35 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 1f1b h LEU 202 CO 0.01 0.15 -0.28 0.44 0.09 0.00 0.00 178.44 178.85 1f1b h ASP 203 N -0.60 -0.89 -0.48 -0.43 3.32 -0.87 -0.85 116.42 115.62 1f1b h ASP 203 Ca -0.03 0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1f1b h ASP 203 Cb 0.44 0.42 -0.08 0.00 0.22 0.00 0.00 39.33 40.33 1f1b h ASP 203 CO 0.04 -0.30 -0.50 -0.08 -1.72 0.00 0.00 179.24 176.68 1f1b h GLU 204 N -0.27 -0.27 0.00 3.56 4.57 -0.85 0.36 114.58 121.68 1f1b h GLU 204 Ca 0.14 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1f1b h GLU 204 Cb 0.50 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1f1b h GLU 204 CO -0.43 -0.18 0.00 1.63 -1.18 0.00 0.00 179.01 178.85 1f1b n LYS 205 N -5.06 0.52 -0.96 1.92 5.02 -0.90 -4.79 118.16 113.93 1f1b n LYS 205 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1f1b n LYS 205 Cb 0.29 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1f1b n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f1b n GLY 206 N 0.03 0.38 3.77 0.72 0.00 0.13 -4.98 105.19 105.23 1f1b n GLY 206 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1f1b n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f1b s ILE 207 N -1.90 2.78 -0.10 -0.61 -1.09 -0.37 -4.97 121.20 114.95 1f1b s ILE 207 Ca 0.00 0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 58.99 1f1b s ILE 207 Cb 0.00 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1f1b s ILE 207 CO 0.00 0.02 0.07 0.00 -1.23 0.00 0.00 174.94 173.80 1f1b s ALA 208 N -1.43 3.59 0.14 9.38 0.00 -1.26 -4.26 121.76 127.92 1f1b s ALA 208 Ca 0.64 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.79 1f1b s ALA 208 Cb -0.33 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 1f1b s ALA 208 CO 0.41 0.61 0.22 1.67 0.00 0.00 0.00 175.76 178.67 1f1b s TRP 209 N -0.98 0.42 -0.21 0.00 1.48 -1.26 -1.24 118.94 117.16 1f1b s TRP 209 Ca 0.15 -0.81 -0.26 0.00 -1.06 0.00 0.00 56.10 54.12 1f1b s TRP 209 Cb -0.12 -0.13 0.07 0.00 -1.16 0.00 0.00 33.47 32.13 1f1b s TRP 209 CO 0.04 -0.64 0.69 -1.54 -4.06 0.00 0.00 176.95 171.44 1f1b s SER 210 N -2.96 -0.71 0.62 -2.66 1.04 -0.58 -4.96 113.70 103.51 1f1b s SER 210 Ca 0.15 1.23 -0.07 0.00 0.48 0.00 0.00 55.95 57.74 1f1b s SER 210 Cb 0.04 1.20 0.02 0.00 0.10 0.00 0.00 66.02 67.39 1f1b s SER 210 CO -0.02 -0.33 0.95 -0.76 0.98 0.00 0.00 173.24 174.05 1f1b s LEU 211 N -0.02 3.12 0.11 2.42 1.43 -1.26 -0.97 118.68 123.51 1f1b s LEU 211 Ca -0.03 0.73 -0.21 0.00 -1.03 0.00 0.00 54.13 53.59 1f1b s LEU 211 Cb -0.04 -3.52 0.05 0.00 0.03 0.00 0.00 46.19 42.71 1f1b s LEU 211 CO 0.03 -1.19 0.52 -1.00 0.23 0.00 0.00 176.35 174.95 1f1b s HIS 212 N -3.08 -0.42 -0.31 0.29 3.76 -1.11 -4.86 115.29 109.56 1f1b s HIS 212 Ca 0.55 0.29 0.23 0.00 -0.15 0.00 0.00 55.06 55.98 1f1b s HIS 212 Cb -0.11 0.40 0.05 0.00 1.11 0.00 0.00 32.58 34.04 1f1b s HIS 212 CO 0.46 -0.73 1.08 0.43 -0.85 0.00 0.00 174.74 175.13 1f1b n SER 213 N -0.04 0.82 -3.75 1.40 7.64 -1.26 -4.57 113.62 113.87 1f1b n SER 213 Ca -0.17 0.27 -0.09 0.00 1.01 0.00 0.00 58.87 59.89 1f1b n SER 213 Cb 0.63 0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 64.21 1f1b n SER 213 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1f1b s SER 214 N -5.13 -0.26 0.45 6.43 1.04 -1.26 -5.02 113.70 109.95 1f1b s SER 214 Ca 0.01 -0.50 0.17 0.00 0.48 0.00 0.00 55.95 56.11 1f1b s SER 214 Cb 0.10 0.59 1.06 0.00 0.10 0.00 0.00 66.02 67.87 1f1b s SER 214 CO 0.78 -1.07 1.99 0.40 0.98 0.00 0.00 173.24 176.32 1f1b h ILE 215 N 2.19 1.04 -0.91 -1.02 2.04 -1.99 -2.69 117.51 116.17 1f1b h ILE 215 Ca -0.28 -0.68 0.15 0.00 1.00 0.00 0.00 64.86 65.05 1f1b h ILE 215 Cb 1.26 1.38 -0.10 0.00 -0.74 0.00 0.00 36.82 38.63 1f1b h ILE 215 CO 0.37 0.19 0.51 -0.33 0.00 0.00 0.00 178.15 178.89 1f1b h GLU 216 N 0.00 0.70 0.00 2.37 5.08 -1.95 0.40 114.58 121.18 1f1b h GLU 216 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1f1b h GLU 216 Cb 0.36 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1f1b h GLU 216 CO 0.03 0.46 0.00 0.39 -1.00 0.00 0.00 179.01 178.89 1f1b n GLU 217 N -4.80 0.33 0.00 2.33 1.02 -1.01 -3.15 120.64 115.35 1f1b n GLU 217 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1f1b n GLU 217 Cb 0.45 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1f1b n GLU 217 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1f1b n VAL 218 N -0.69 0.00 -0.31 2.62 0.24 0.52 -4.98 118.33 115.73 1f1b n VAL 218 Ca 0.03 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.48 1f1b n VAL 218 Cb 0.01 0.20 0.33 0.00 -1.47 0.00 0.00 33.84 32.91 1f1b n VAL 218 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1f1b h MET 219 N 0.00 0.31 -0.06 7.34 -1.53 -0.31 -0.32 114.93 120.36 1f1b h MET 219 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1f1b h MET 219 Cb 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 30.98 1f1b h MET 219 CO 0.00 0.20 0.00 0.00 0.14 0.00 0.00 176.91 177.25 1f1b n ALA 220 N -2.55 2.58 -2.43 0.39 0.00 -1.21 -3.85 120.51 113.44 1f1b n ALA 220 Ca 0.23 -0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.31 1f1b n ALA 220 Cb 0.72 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.98 1f1b n ALA 220 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1f1b n GLU 221 N -0.07 0.03 -5.12 0.00 0.28 -0.17 -4.58 120.64 111.01 1f1b n GLU 221 Ca 0.18 -1.93 -0.29 0.00 -0.16 0.00 0.00 57.16 54.96 1f1b n GLU 221 Cb 0.28 -0.08 -0.16 0.00 1.43 0.00 0.00 31.44 32.90 1f1b n GLU 221 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1f1b s VAL 222 N -0.07 1.82 -0.07 3.84 -7.23 -0.94 -4.78 120.40 112.96 1f1b s VAL 222 Ca 0.31 -0.96 0.06 0.00 -1.81 0.00 0.00 61.98 59.58 1f1b s VAL 222 Cb 0.35 -1.53 -0.24 0.00 0.56 0.00 0.00 36.38 35.52 1f1b s VAL 222 CO -0.15 0.51 0.55 0.47 -0.31 0.00 0.00 175.10 176.17 1f1b n ASP 223 N 2.80 1.32 -4.09 4.85 8.00 -0.39 -4.66 116.55 124.38 1f1b n ASP 223 Ca -0.17 0.34 -0.32 0.00 0.71 0.00 0.00 54.79 55.35 1f1b n ASP 223 Cb 0.52 -0.34 -0.16 0.00 -0.02 0.00 0.00 41.12 41.12 1f1b n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1f1b s ILE 224 N -2.58 1.97 -0.92 0.53 -1.09 -0.88 -2.22 121.20 116.01 1f1b s ILE 224 Ca -0.11 -1.01 -0.05 0.00 -2.23 0.00 0.00 60.65 57.25 1f1b s ILE 224 Cb 0.07 -1.86 0.23 0.00 -1.58 0.00 0.00 42.46 39.32 1f1b s ILE 224 CO 0.80 0.41 0.84 -0.22 -1.23 0.00 0.00 174.94 175.54 1f1b s LEU 225 N 1.30 5.84 -0.63 2.97 2.96 -0.93 -1.11 118.68 129.07 1f1b s LEU 225 Ca 0.02 -3.52 -0.27 0.00 -0.22 0.00 0.00 54.13 50.13 1f1b s LEU 225 Cb -0.14 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.55 1f1b s LEU 225 CO -0.11 -0.26 1.39 -0.47 -1.32 0.00 0.00 176.35 175.58 1f1b s TYR 226 N -1.08 2.25 0.11 5.38 6.14 -0.10 -1.86 117.35 128.19 1f1b s TYR 226 Ca 0.27 0.32 -0.12 0.00 0.64 0.00 0.00 57.07 58.17 1f1b s TYR 226 Cb -0.10 -4.46 -0.06 0.00 0.42 0.00 0.00 41.96 37.77 1f1b s TYR 226 CO -0.10 -2.00 0.47 -1.64 0.64 0.00 0.00 175.55 172.92 1f1b s MET 227 N 5.70 3.87 0.08 4.97 -1.94 0.68 -1.93 119.30 130.73 1f1b s MET 227 Ca 0.47 0.33 0.01 0.00 -1.71 0.00 0.00 55.69 54.79 1f1b s MET 227 Cb -0.10 -2.97 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 1f1b s MET 227 CO 0.21 0.53 -0.06 0.95 -0.01 0.00 0.00 175.02 176.63 1f1b s THR 228 N -1.42 0.60 0.81 2.05 -4.23 -0.72 -4.05 115.64 108.68 1f1b s THR 228 Ca 0.35 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.97 1f1b s THR 228 Cb -0.14 -1.48 0.08 0.00 1.34 0.00 0.00 72.50 72.29 1f1b s THR 228 CO 0.18 -0.81 1.14 -0.60 -0.54 0.00 0.00 174.62 173.99 1f1b s ARG 229 N -3.47 2.00 -0.26 3.99 3.52 -1.26 -4.44 118.95 119.02 1f1b s ARG 229 Ca 0.07 0.32 -0.12 0.00 -0.13 0.00 0.00 55.73 55.87 1f1b s ARG 229 Cb 0.03 -1.94 -0.05 0.00 -1.56 0.00 0.00 34.95 31.44 1f1b s ARG 229 CO -0.05 -1.61 0.22 0.08 -0.81 0.00 0.00 175.30 173.13 1f1b s VAL 230 N -3.39 5.30 -0.65 7.11 1.01 -1.26 -3.56 120.40 124.96 1f1b s VAL 230 Ca 0.61 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.67 1f1b s VAL 230 Cb -0.12 -3.56 -0.16 0.00 0.00 0.00 0.00 36.38 32.54 1f1b s VAL 230 CO 0.51 0.27 1.86 0.00 0.00 0.00 0.00 175.10 177.75 1f1b n GLN 231 N 4.78 1.33 -0.33 2.72 1.13 -1.26 -4.70 117.38 121.05 1f1b n GLN 231 Ca -0.13 -1.57 0.11 0.00 -1.94 0.00 0.00 57.00 53.47 1f1b n GLN 231 Cb 0.52 -2.71 0.24 0.00 0.11 0.00 0.00 30.24 28.40 1f1b n GLN 231 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1f1b h LYS 232 N 7.86 0.03 0.00 -1.09 3.64 -1.93 0.66 116.57 125.74 1f1b h LYS 232 Ca 0.39 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1f1b h LYS 232 Cb 0.53 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1f1b h LYS 232 CO 1.81 0.02 0.00 -0.85 -2.27 0.00 0.00 179.45 178.16 1f1b n GLU 233 N -5.47 0.12 -0.03 1.90 0.00 -1.26 -3.34 120.64 112.56 1f1b n GLU 233 Ca 0.20 0.36 0.00 0.00 0.00 0.00 0.00 57.16 57.72 1f1b n GLU 233 Cb 0.66 -1.73 -0.08 0.00 0.00 0.00 0.00 31.44 30.29 1f1b n GLU 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1f1b n ARG 234 N -1.95 1.36 -1.46 3.44 1.74 0.18 -5.03 116.66 114.94 1f1b n ARG 234 Ca 0.03 -0.05 -0.51 0.00 -0.77 0.00 0.00 57.85 56.54 1f1b n ARG 234 Cb 0.21 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.35 1f1b n ARG 234 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1f1b n LEU 235 N -2.11 -0.48 -4.77 0.55 4.77 -0.95 -4.92 117.00 109.08 1f1b n LEU 235 Ca -0.09 1.14 -0.37 0.00 -0.03 0.00 0.00 56.01 56.66 1f1b n LEU 235 Cb 0.54 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1f1b n LEU 235 CO 0.21 -2.44 0.81 -0.62 -1.33 0.00 0.00 177.39 174.02 1f1b s ASP 236 N -0.59 6.36 0.54 -1.43 -1.08 -1.26 -4.87 116.67 114.35 1f1b s ASP 236 Ca 0.73 2.24 0.37 0.00 -0.52 0.00 0.00 52.55 55.36 1f1b s ASP 236 Cb -1.01 -2.60 1.91 0.00 -1.46 0.00 0.00 42.92 39.76 1f1b s ASP 236 CO 0.56 -0.78 2.11 1.55 0.52 0.00 0.00 175.17 179.14 1f1b h PRO 237 N 2.23 0.00 0.00 4.34 0.13 -1.99 -0.01 132.00 136.70 1f1b h PRO 237 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1f1b h PRO 237 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1f1b h PRO 237 CO 0.61 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.25 1f1b n SER 238 N -2.83 0.00 -0.36 1.44 3.41 -1.26 -3.17 113.62 110.84 1f1b n SER 238 Ca -0.02 0.40 0.03 0.00 -0.26 0.00 0.00 58.87 59.02 1f1b n SER 238 Cb 0.10 -0.46 0.09 0.00 -0.26 0.00 0.00 64.21 63.68 1f1b n SER 238 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1f1b n GLU 239 N -1.46 2.91 0.00 4.33 0.28 -0.02 -4.74 120.64 121.94 1f1b n GLU 239 Ca 0.06 -1.81 0.00 0.00 -0.16 0.00 0.00 57.16 55.26 1f1b n GLU 239 Cb 0.24 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 31.96 1f1b n GLU 239 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1f1b n TYR 240 N 0.08 0.00 0.28 -1.84 0.53 -1.19 -1.67 117.16 113.35 1f1b n TYR 240 Ca 0.07 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 57.09 1f1b n TYR 240 Cb 0.35 -0.27 0.84 0.00 -1.03 0.00 0.00 39.34 39.23 1f1b n TYR 240 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1f1b h ALA 241 N 1.28 1.42 -0.51 -0.72 0.00 -1.88 -2.71 119.26 116.14 1f1b h ALA 241 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1f1b h ALA 241 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1f1b h ALA 241 CO 0.00 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1f1b n ASN 242 N -3.76 4.16 -0.10 0.00 3.02 -0.67 -4.64 115.26 113.28 1f1b n ASN 242 Ca -0.03 -2.43 -0.06 0.00 -0.03 0.00 0.00 54.58 52.03 1f1b n ASN 242 Cb 0.15 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1f1b n ASN 242 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1f1b h VAL 243 N 3.21 0.66 -3.97 2.41 3.04 -1.68 -3.42 116.25 116.51 1f1b h VAL 243 Ca 0.00 -0.00 -0.48 0.00 -1.01 0.00 0.00 66.70 65.20 1f1b h VAL 243 Cb 1.27 0.65 0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1f1b h VAL 243 CO 0.17 0.00 0.26 -1.59 -1.01 0.00 0.00 177.57 175.40 1f1b s LYS 244 N -6.21 3.84 0.19 4.17 -2.85 -1.26 -4.86 119.74 112.75 1f1b s LYS 244 Ca -0.14 0.71 -0.32 0.00 -1.00 0.00 0.00 55.97 55.23 1f1b s LYS 244 Cb 0.13 -2.25 -0.11 0.00 -2.06 0.00 0.00 37.83 33.54 1f1b s LYS 244 CO 0.70 -0.19 1.74 0.00 0.10 0.00 0.00 175.35 177.70 1f1b s ALA 245 N -2.55 3.89 -0.38 0.59 0.00 -1.26 -4.90 121.76 117.15 1f1b s ALA 245 Ca 0.55 1.54 0.23 0.00 0.00 0.00 0.00 51.96 54.28 1f1b s ALA 245 Cb -0.10 -3.71 0.10 0.00 0.00 0.00 0.00 23.12 19.41 1f1b s ALA 245 CO 0.33 -0.98 1.13 1.96 0.00 0.00 0.00 175.76 178.19 1f1b h GLN 246 N 7.21 0.00 -4.11 0.00 7.50 -1.94 -3.44 115.11 120.32 1f1b h GLN 246 Ca -0.44 0.00 -0.50 0.00 0.50 0.00 0.00 58.65 58.22 1f1b h GLN 246 Cb 1.20 0.00 -0.37 0.00 0.05 0.00 0.00 27.48 28.37 1f1b h GLN 246 CO 0.95 0.00 -0.79 -0.06 -1.50 0.00 0.00 178.83 177.43 1f1b s PHE 247 N -3.30 1.24 -0.29 2.96 0.40 -1.26 -5.10 117.98 112.63 1f1b s PHE 247 Ca 0.02 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1f1b s PHE 247 Cb 0.11 -1.08 0.06 0.00 0.51 0.00 0.00 43.02 42.62 1f1b s PHE 247 CO 0.77 -0.43 -0.03 0.08 0.70 0.00 0.00 175.22 176.31 1f1b s VAL 248 N 1.64 2.67 -0.60 -0.44 1.01 -1.26 -4.65 120.40 118.77 1f1b s VAL 248 Ca 0.02 -1.56 -0.27 0.00 0.00 0.00 0.00 61.98 60.17 1f1b s VAL 248 Cb -0.13 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 1f1b s VAL 248 CO -0.06 -0.14 1.62 -0.22 0.00 0.00 0.00 175.10 176.30 1f1b s LEU 249 N 1.17 3.31 0.26 3.92 2.96 0.13 -4.91 118.68 125.53 1f1b s LEU 249 Ca -0.05 0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1f1b s LEU 249 Cb -0.20 -2.76 -0.06 0.00 0.50 0.00 0.00 46.19 43.67 1f1b s LEU 249 CO -0.03 -2.04 0.55 -0.13 -1.32 0.00 0.00 176.35 173.38 1f1b s ARG 250 N 6.25 3.70 0.40 1.98 0.52 -1.26 -2.74 118.95 127.79 1f1b s ARG 250 Ca 0.58 0.11 0.13 0.00 -0.52 0.00 0.00 55.73 56.03 1f1b s ARG 250 Cb -0.12 -2.65 0.97 0.00 0.52 0.00 0.00 34.95 33.67 1f1b s ARG 250 CO 0.22 0.26 1.90 0.00 0.02 0.00 0.00 175.30 177.70 1f1b h ALA 251 N 2.05 2.01 -0.54 2.13 0.00 -1.86 -2.50 119.26 120.56 1f1b h ALA 251 Ca -0.47 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.50 1f1b h ALA 251 Cb 1.18 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1f1b h ALA 251 CO 0.68 -0.23 0.26 0.66 0.00 0.00 0.00 179.25 180.62 1f1b h SER 252 N 0.52 0.37 0.07 0.00 4.64 -1.96 -1.89 113.55 115.29 1f1b h SER 252 Ca 0.40 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1f1b h SER 252 Cb 0.81 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1f1b h SER 252 CO -0.15 0.25 0.00 -0.90 -0.87 0.00 0.00 176.83 175.16 1f1b n ASP 253 N -4.89 0.00 -1.82 4.97 5.68 -0.94 -0.78 116.55 118.77 1f1b n ASP 253 Ca 0.05 -0.01 -0.15 0.00 -0.50 0.00 0.00 54.79 54.19 1f1b n ASP 253 Cb 0.16 -0.15 0.14 0.00 -1.14 0.00 0.00 41.12 40.12 1f1b n ASP 253 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f1b n LEU 254 N -1.15 5.49 0.14 -2.12 4.77 -0.71 -4.32 117.00 119.10 1f1b n LEU 254 Ca 0.04 -2.90 0.01 0.00 -0.03 0.00 0.00 56.01 53.13 1f1b n LEU 254 Cb 0.04 -0.73 0.10 0.00 -2.33 0.00 0.00 43.42 40.50 1f1b n LEU 254 CO 0.05 0.85 0.46 -0.74 -1.33 0.00 0.00 177.39 176.68 1f1b h HIS 255 N 0.86 0.00 -0.62 -1.77 2.76 -1.15 -3.27 115.15 111.96 1f1b h HIS 255 Ca 0.41 0.00 -0.42 0.00 -2.20 0.00 0.00 60.37 58.16 1f1b h HIS 255 Cb 2.24 0.00 -0.42 0.00 1.55 0.00 0.00 27.41 30.78 1f1b h HIS 255 CO 1.08 0.59 -0.94 0.09 -1.30 0.00 0.00 177.93 177.44 1f1b n ASN 256 N -3.40 3.53 -4.81 3.26 4.13 -1.26 -5.06 115.26 111.65 1f1b n ASN 256 Ca 0.01 -3.03 -0.38 0.00 1.68 0.00 0.00 54.58 52.86 1f1b n ASN 256 Cb 0.70 -0.40 -0.06 0.00 -1.54 0.00 0.00 39.78 38.48 1f1b n ASN 256 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f1b s ALA 257 N -3.68 3.48 0.48 5.41 0.00 -1.23 -3.33 121.76 122.88 1f1b s ALA 257 Ca 0.41 0.17 -0.23 0.00 0.00 0.00 0.00 51.96 52.30 1f1b s ALA 257 Cb 0.37 -2.79 -0.07 0.00 0.00 0.00 0.00 23.12 20.64 1f1b s ALA 257 CO 0.01 0.35 1.32 0.21 0.00 0.00 0.00 175.76 177.64 1f1b s LYS 258 N -1.55 3.52 0.17 0.00 2.20 -1.25 -4.94 119.74 117.90 1f1b s LYS 258 Ca 0.37 2.15 -0.16 0.00 -0.36 0.00 0.00 55.97 57.98 1f1b s LYS 258 Cb -0.19 -2.45 0.13 0.00 -1.51 0.00 0.00 37.83 33.81 1f1b s LYS 258 CO 0.22 -0.86 1.68 0.00 -0.36 0.00 0.00 175.35 176.02 1f1b h ALA 259 N 1.96 0.34 0.00 3.13 0.00 -1.96 -2.13 119.26 120.61 1f1b h ALA 259 Ca -0.50 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1f1b h ALA 259 Cb 1.27 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1f1b h ALA 259 CO 0.59 -0.43 0.00 0.27 0.00 0.00 0.00 179.25 179.69 1f1b n ASN 260 N -5.27 0.00 -4.68 0.00 6.94 -1.26 -4.87 115.26 106.12 1f1b n ASN 260 Ca 0.03 0.34 -0.45 0.00 -0.02 0.00 0.00 54.58 54.48 1f1b n ASN 260 Cb 0.23 -0.44 -0.04 0.00 -2.36 0.00 0.00 39.78 37.17 1f1b n ASN 260 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1f1b n MET 261 N -1.44 2.48 -4.38 -3.83 1.56 -0.80 -4.89 117.12 105.82 1f1b n MET 261 Ca 0.08 0.91 -0.25 0.00 -0.27 0.00 0.00 57.70 58.17 1f1b n MET 261 Cb 0.29 -2.77 -0.12 0.00 2.15 0.00 0.00 33.22 32.77 1f1b n MET 261 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1f1b s LYS 262 N 3.05 1.40 -0.20 2.12 -0.14 -0.94 -4.45 119.74 120.58 1f1b s LYS 262 Ca 0.86 -1.46 -0.07 0.00 -1.36 0.00 0.00 55.97 53.94 1f1b s LYS 262 Cb -0.58 -1.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 1f1b s LYS 262 CO 0.43 0.34 0.06 0.08 -0.76 0.00 0.00 175.35 175.50 1f1b s VAL 263 N -1.78 4.60 0.26 3.17 1.01 0.38 -2.18 120.40 125.84 1f1b s VAL 263 Ca 0.18 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.17 1f1b s VAL 263 Cb -0.07 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1f1b s VAL 263 CO 0.08 0.42 -0.10 -0.76 0.00 0.00 0.00 175.10 174.75 1f1b s LEU 264 N 0.74 2.92 -0.30 3.92 1.43 -0.78 -1.99 118.68 124.62 1f1b s LEU 264 Ca 0.03 -0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 52.21 1f1b s LEU 264 Cb -0.13 -1.46 0.15 0.00 0.03 0.00 0.00 46.19 44.77 1f1b s LEU 264 CO 0.02 0.03 0.89 -2.28 0.23 0.00 0.00 176.35 175.24 1f1b s HIS 265 N -2.29 -0.85 0.41 0.29 2.46 -1.26 -0.23 115.29 113.82 1f1b s HIS 265 Ca 0.30 1.51 0.26 0.00 0.47 0.00 0.00 55.06 57.60 1f1b s HIS 265 Cb -0.06 0.51 1.40 0.00 -0.13 0.00 0.00 32.58 34.30 1f1b s HIS 265 CO 0.17 -0.42 2.06 -1.00 -2.47 0.00 0.00 174.74 173.08 1f1b h PRO 266 N 7.42 0.00 -0.72 2.88 0.13 -1.95 -3.46 132.00 136.30 1f1b h PRO 266 Ca -0.18 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1f1b h PRO 266 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1f1b h PRO 266 CO 0.10 0.13 -0.25 1.28 -0.23 0.00 0.00 178.00 179.03 1f1b n LEU 267 N -3.70 -0.21 -4.85 1.56 4.77 -1.26 -4.99 117.00 108.32 1f1b n LEU 267 Ca -0.02 0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 56.13 1f1b n LEU 267 Cb 0.24 -0.69 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1f1b n LEU 267 CO 0.31 -0.47 0.70 0.00 -1.33 0.00 0.00 177.39 176.59 1f1b s ALA 268 N -3.08 3.01 0.07 -1.18 0.00 -1.26 -4.99 121.76 114.33 1f1b s ALA 268 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1f1b s ALA 268 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1f1b s ALA 268 CO 0.00 -0.56 0.20 -0.98 0.00 0.00 0.00 175.76 174.42 1f1b s ARG 269 N -4.58 3.37 0.00 0.00 1.70 -1.26 -4.54 118.95 113.64 1f1b s ARG 269 Ca 0.58 -0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.35 1f1b s ARG 269 Cb -0.11 -2.99 0.00 0.00 -0.57 0.00 0.00 34.95 31.27 1f1b s ARG 269 CO 0.43 0.60 0.00 0.28 -1.08 0.00 0.00 175.30 175.52 1f1b n VAL 270 N 0.23 0.00 0.16 4.99 0.31 -1.26 -4.97 118.33 117.79 1f1b n VAL 270 Ca -0.06 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1f1b n VAL 270 Cb 0.51 -0.08 0.03 0.00 -0.91 0.00 0.00 33.84 33.39 1f1b n VAL 270 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1f1b n ASP 271 N 0.00 1.65 0.27 4.52 3.85 -1.26 -4.67 116.55 120.91 1f1b n ASP 271 Ca 0.00 -1.38 0.16 0.00 -0.71 0.00 0.00 54.79 52.85 1f1b n ASP 271 Cb 0.00 -0.02 0.70 0.00 -1.35 0.00 0.00 41.12 40.45 1f1b n ASP 271 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1f1b h GLU 272 N 1.04 0.00 -4.26 0.11 9.09 -1.93 -3.39 114.58 115.23 1f1b h GLU 272 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.80 1f1b h GLU 272 Cb 0.30 0.00 -0.39 0.00 -1.65 0.00 0.00 28.75 27.02 1f1b h GLU 272 CO 0.00 0.07 -0.77 0.42 0.05 0.00 0.00 179.01 178.78 1f1b s ILE 273 N -3.80 1.49 0.49 -1.06 1.01 -1.26 -0.69 121.20 117.38 1f1b s ILE 273 Ca -0.00 -1.34 -0.24 0.00 0.00 0.00 0.00 60.65 59.07 1f1b s ILE 273 Cb 0.10 -1.85 -0.07 0.00 0.01 0.00 0.00 42.46 40.66 1f1b s ILE 273 CO 0.56 -0.23 1.38 0.00 0.00 0.00 0.00 174.94 176.64 1f1b s ALA 274 N 1.39 3.05 -0.53 9.38 0.00 -1.11 -4.90 121.76 129.04 1f1b s ALA 274 Ca -0.02 1.38 0.15 0.00 0.00 0.00 0.00 51.96 53.47 1f1b s ALA 274 Cb -0.19 -3.57 0.77 0.00 0.00 0.00 0.00 23.12 20.14 1f1b s ALA 274 CO -0.09 -1.23 1.47 0.25 0.00 0.00 0.00 175.76 176.16 1f1b n THR 275 N -0.55 1.27 0.17 0.00 -2.24 -1.26 -1.87 114.28 109.80 1f1b n THR 275 Ca 0.07 0.56 0.08 0.00 -2.27 0.00 0.00 64.05 62.49 1f1b n THR 275 Cb 0.43 -1.53 0.09 0.00 -2.10 0.00 0.00 70.33 67.23 1f1b n THR 275 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1f1b h ASP 276 N 0.00 0.00 0.19 3.42 2.03 -1.95 -2.80 116.42 117.31 1f1b h ASP 276 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 1f1b h ASP 276 Cb 0.08 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.57 1f1b h ASP 276 CO 0.00 0.21 -0.20 0.58 -1.03 0.00 0.00 179.24 178.81 1f1b h VAL 277 N 0.00 1.15 0.00 4.15 2.07 -1.69 -1.73 116.25 120.19 1f1b h VAL 277 Ca -0.01 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1f1b h VAL 277 Cb 1.17 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1f1b h VAL 277 CO 0.03 0.20 0.34 0.44 0.02 0.00 0.00 177.57 178.60 1f1b h ASP 278 N 0.01 0.00 -0.01 0.57 3.45 -1.64 0.11 116.42 118.91 1f1b h ASP 278 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1f1b h ASP 278 Cb 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 1f1b h ASP 278 CO 0.03 0.00 -0.43 0.29 -1.57 0.00 0.00 179.24 177.55 1f1b n LYS 279 N -2.75 1.51 -3.22 3.56 5.02 -0.65 -4.95 118.16 116.68 1f1b n LYS 279 Ca -0.02 -0.76 -0.36 0.00 -2.02 0.00 0.00 58.31 55.15 1f1b n LYS 279 Cb 0.38 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 1f1b n LYS 279 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1f1b s THR 280 N -2.15 4.71 -1.14 -0.18 -4.23 0.40 -4.93 115.64 108.11 1f1b s THR 280 Ca 0.14 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 1f1b s THR 280 Cb 0.14 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1f1b s THR 280 CO 0.49 0.24 0.75 -0.81 -0.54 0.00 0.00 174.62 174.76 1f1b n PRO 281 N 0.81 0.00 0.05 3.99 -0.04 -1.26 -1.60 135.00 136.95 1f1b n PRO 281 Ca -0.04 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1f1b n PRO 281 Cb 0.51 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 1f1b n PRO 281 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f1b h HIS 282 N 0.00 0.27 -1.64 0.54 3.86 -1.89 -3.45 115.15 112.83 1f1b h HIS 282 Ca 0.00 -0.19 -0.63 0.00 -1.16 0.00 0.00 60.37 58.39 1f1b h HIS 282 Cb 0.10 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1f1b h HIS 282 CO 0.00 1.22 1.35 0.00 0.86 0.00 0.00 177.93 181.36 1f1b n ALA 283 N -2.57 1.25 -1.14 2.45 0.00 -0.63 -0.47 120.51 119.40 1f1b n ALA 283 Ca -0.12 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.32 1f1b n ALA 283 Cb 1.02 -2.65 0.03 0.00 0.00 0.00 0.00 19.45 17.84 1f1b n ALA 283 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1f1b n TRP 284 N 9.54 0.00 -0.17 0.00 -0.00 -0.84 -4.88 117.44 121.08 1f1b n TRP 284 Ca 0.32 -0.31 -0.05 0.00 -0.00 0.00 0.00 57.50 57.46 1f1b n TRP 284 Cb 0.32 -0.06 0.04 0.00 -0.00 0.00 0.00 31.31 31.61 1f1b n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1f1b h TYR 285 N 0.00 0.57 0.00 5.87 -0.00 -1.87 0.17 116.97 121.70 1f1b h TYR 285 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 58.73 58.65 1f1b h TYR 285 Cb 1.03 -0.18 -0.01 0.00 0.00 0.00 0.00 36.73 37.57 1f1b h TYR 285 CO 0.03 0.32 -0.48 0.74 -0.00 0.00 0.00 178.16 178.77 1f1b h PHE 286 N 0.60 0.00 -0.29 0.10 0.04 -1.91 0.30 116.94 115.79 1f1b h PHE 286 Ca 0.21 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.83 1f1b h PHE 286 Cb 0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1f1b h PHE 286 CO -0.07 0.48 -0.41 1.96 -0.60 0.00 0.00 178.31 179.68 1f1b h GLN 287 N 0.00 0.78 0.10 1.51 7.50 -1.86 -2.03 115.11 121.11 1f1b h GLN 287 Ca -0.00 -0.46 0.02 0.00 0.50 0.00 0.00 58.65 58.71 1f1b h GLN 287 Cb 0.97 0.04 -0.05 0.00 0.05 0.00 0.00 27.48 28.49 1f1b h GLN 287 CO 0.06 1.09 -0.50 0.37 -1.50 0.00 0.00 178.83 178.35 1f1b h GLN 288 N 0.54 -0.69 -0.43 1.46 4.15 0.09 -1.68 115.11 118.54 1f1b h GLN 288 Ca 0.03 0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.56 1f1b h GLN 288 Cb 1.00 0.16 -0.09 0.00 0.21 0.00 0.00 27.48 28.76 1f1b h GLN 288 CO 0.09 -0.46 -0.48 0.00 -1.93 0.00 0.00 178.83 176.05 1f1b h ALA 289 N -0.40 -0.55 -0.88 3.38 0.00 -0.35 0.20 119.26 120.66 1f1b h ALA 289 Ca 0.01 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.21 1f1b h ALA 289 Cb 0.74 1.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 1f1b h ALA 289 CO -0.29 -0.93 0.62 0.78 0.00 0.00 0.00 179.25 179.43 1f1b h GLY 290 N -0.34 0.15 2.00 0.00 0.00 -0.60 0.12 103.07 104.40 1f1b h GLY 290 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1f1b h GLY 290 CO -0.60 -0.00 -0.09 3.43 0.00 0.00 0.00 176.54 179.28 1f1b h ASN 291 N 0.06 0.00 -0.91 0.19 -0.26 -0.08 -2.90 115.58 111.68 1f1b h ASN 291 Ca 0.43 0.00 0.25 0.00 -0.56 0.00 0.00 56.30 56.42 1f1b h ASN 291 Cb 1.59 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.81 1f1b h ASN 291 CO -0.03 0.09 0.64 1.23 -1.06 0.00 0.00 177.43 178.29 1f1b h GLY 292 N 1.18 0.26 1.03 2.83 0.00 -0.74 -0.18 103.07 107.45 1f1b h GLY 292 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1f1b h GLY 292 CO 0.01 -0.01 0.41 -2.22 0.00 0.00 0.00 176.54 174.73 1f1b h ILE 293 N 0.11 1.25 0.01 2.60 1.08 -1.70 -0.36 117.51 120.49 1f1b h ILE 293 Ca 0.45 -0.67 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1f1b h ILE 293 Cb 1.60 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 1f1b h ILE 293 CO -0.06 0.29 -0.16 -0.26 -0.69 0.00 0.00 178.15 177.27 1f1b h PHE 294 N 1.14 0.15 -0.79 1.37 0.04 -1.25 -0.80 116.94 116.79 1f1b h PHE 294 Ca 0.28 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1f1b h PHE 294 Cb 0.09 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 1f1b h PHE 294 CO 0.01 0.92 0.37 0.00 -0.60 0.00 0.00 178.31 179.00 1f1b h ALA 295 N 0.20 1.16 -0.31 2.45 0.00 -1.48 0.19 119.26 121.47 1f1b h ALA 295 Ca -0.02 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 1f1b h ALA 295 Cb 0.97 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1f1b h ALA 295 CO 0.03 0.63 -0.50 0.00 0.00 0.00 0.00 179.25 179.42 1f1b h ARG 296 N 1.13 0.88 -0.72 0.00 3.08 -1.11 -1.08 114.38 116.56 1f1b h ARG 296 Ca 0.27 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1f1b h ARG 296 Cb 0.13 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1f1b h ARG 296 CO -0.03 1.18 0.38 1.96 -1.07 0.00 0.00 179.97 182.39 1f1b h GLN 297 N 0.68 1.01 0.35 0.04 4.20 -0.92 -2.49 115.11 117.97 1f1b h GLN 297 Ca 0.03 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1f1b h GLN 297 Cb 1.10 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 1f1b h GLN 297 CO 0.11 0.76 -0.34 0.00 -0.67 0.00 0.00 178.83 178.69 1f1b h ALA 298 N 1.19 -0.74 -0.82 3.87 0.00 -0.73 -2.49 119.26 119.54 1f1b h ALA 298 Ca 0.25 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1f1b h ALA 298 Cb 0.06 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1f1b h ALA 298 CO -0.04 -0.95 0.45 1.25 0.00 0.00 0.00 179.25 179.96 1f1b h LEU 299 N -0.72 0.63 -1.15 0.00 5.85 -1.01 -1.90 115.31 117.01 1f1b h LEU 299 Ca -0.02 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1f1b h LEU 299 Cb 0.65 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1f1b h LEU 299 CO -0.06 0.34 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.13 1f1b h LEU 300 N 0.74 0.00 -0.15 2.25 3.38 -1.26 -2.01 115.31 118.26 1f1b h LEU 300 Ca 0.41 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.16 1f1b h LEU 300 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1f1b h LEU 300 CO -0.27 0.18 -0.96 0.00 0.09 0.00 0.00 178.44 177.48 1f1b h ALA 301 N 1.82 0.42 0.01 1.53 0.00 -0.91 -2.29 119.26 119.84 1f1b h ALA 301 Ca -0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 54.91 53.91 1f1b h ALA 301 Cb 0.71 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1f1b h ALA 301 CO 0.02 1.01 -0.95 -0.07 0.00 0.00 0.00 179.25 179.26 1f1b h LEU 302 N 0.07 0.04 0.05 0.00 3.38 -1.10 -2.00 115.31 115.74 1f1b h LEU 302 Ca -0.05 -0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.59 1f1b h LEU 302 Cb 1.64 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 1f1b h LEU 302 CO 0.14 0.97 -1.63 0.58 0.09 0.00 0.00 178.44 178.59 1f1b h VAL 303 N 0.01 0.98 -0.02 1.22 2.07 -1.42 -3.02 116.25 116.07 1f1b h VAL 303 Ca -0.02 -2.75 0.00 0.00 0.82 0.00 0.00 66.70 64.75 1f1b h VAL 303 Cb 1.67 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 1f1b h VAL 303 CO 0.13 0.69 -0.39 0.18 0.02 0.00 0.00 177.57 178.19 1f1b n LEU 304 N -3.24 2.04 -3.98 2.57 4.77 -0.86 -0.28 117.00 118.02 1f1b n LEU 304 Ca -0.17 -0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 54.72 1f1b n LEU 304 Cb 1.04 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.96 1f1b n LEU 304 CO 0.46 0.38 -0.46 0.21 -1.33 0.00 0.00 177.39 176.65 1f1b s ASN 305 N -2.27 3.12 0.27 -1.43 3.84 -0.75 -5.02 114.94 112.70 1f1b s ASN 305 Ca 0.18 -0.75 0.00 0.00 0.21 0.00 0.00 52.86 52.50 1f1b s ASN 305 Cb 0.17 -1.15 0.62 0.00 -0.55 0.00 0.00 41.25 40.34 1f1b s ASN 305 CO 0.50 -0.13 1.68 -0.09 -2.79 0.00 0.00 177.10 176.27 1f1b h ARG 306 N 8.02 0.30 -5.34 0.43 2.43 -1.88 -3.42 114.38 114.92 1f1b h ARG 306 Ca -0.29 -0.02 -0.63 0.00 -0.81 0.00 0.00 59.98 58.23 1f1b h ARG 306 Cb 1.11 -0.07 -0.18 0.00 -0.42 0.00 0.00 29.97 30.41 1f1b h ARG 306 CO 0.47 0.20 -0.61 -0.51 -1.51 0.00 0.00 179.97 178.01 1f1b s ASP 307 N -5.19 5.22 -0.45 -3.80 -0.00 -1.26 -1.02 116.67 110.17 1f1b s ASP 307 Ca -0.12 -0.01 -0.44 0.00 -0.00 0.00 0.00 52.55 51.98 1f1b s ASP 307 Cb 0.24 -1.85 -0.18 0.00 -0.00 0.00 0.00 42.92 41.13 1f1b s ASP 307 CO 0.77 0.19 1.88 -0.11 -0.00 0.00 0.00 175.17 177.90 1f1b n LEU 308 N 3.43 1.30 -4.68 1.23 -0.00 -1.26 -4.79 117.00 112.22 1f1b n LEU 308 Ca -0.17 0.90 -0.42 0.00 -0.00 0.00 0.00 56.01 56.32 1f1b n LEU 308 Cb 0.52 -0.96 -0.03 0.00 -0.00 0.00 0.00 43.42 42.95 1f1b n LEU 308 CO 0.34 -0.74 1.38 0.68 -0.00 0.00 0.00 177.39 179.04 1f1b s VAL 309 N 4.65 3.09 -1.76 1.96 -7.23 -1.26 -5.16 120.40 114.69 1f1b s VAL 309 Ca 1.10 0.44 0.14 0.00 -1.81 0.00 0.00 61.98 61.85 1f1b s VAL 309 Cb -1.38 -3.28 0.11 0.00 0.56 0.00 0.00 36.38 32.39 1f1b s VAL 309 CO 0.70 -0.01 0.95 0.00 -0.31 0.00 0.00 175.10 176.43