#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fiu n GLN 2 N 0.00 0.99 -1.66 0.03 3.00 -1.26 -4.62 117.38 113.86 1fiu n GLN 2 Ca 0.00 -0.09 -0.39 0.00 -0.01 0.00 0.00 57.00 56.52 1fiu n GLN 2 Cb 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 30.24 29.04 1fiu n GLN 2 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1fiu n PRO 3 N -1.78 1.29 -0.00 -1.09 -0.02 -1.26 -4.75 135.00 127.39 1fiu n PRO 3 Ca -0.01 0.48 -0.01 0.00 -2.02 0.00 0.00 63.50 61.94 1fiu n PRO 3 Cb 0.29 -2.28 0.27 0.00 -0.02 0.00 0.00 33.50 31.75 1fiu n PRO 3 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1fiu h LEU 4 N 1.08 0.50 -1.23 2.45 3.38 -1.99 -1.21 115.31 118.29 1fiu h LEU 4 Ca -0.48 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.30 1fiu h LEU 4 Cb 1.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1fiu h LEU 4 CO 0.54 0.62 -0.37 -0.26 0.09 0.00 0.00 178.44 179.06 1fiu h PHE 5 N 0.50 0.00 -0.31 1.13 0.05 -1.99 0.17 116.94 116.49 1fiu h PHE 5 Ca 0.10 0.00 -0.17 0.00 3.82 0.00 0.00 57.97 61.72 1fiu h PHE 5 Cb 0.42 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.37 1fiu h PHE 5 CO 0.01 0.37 -0.48 1.15 -0.18 0.00 0.00 178.31 179.18 1fiu h THR 6 N 0.00 1.28 -0.52 -1.55 2.02 -1.68 -0.87 112.91 111.58 1fiu h THR 6 Ca -0.00 -1.67 -0.09 0.00 0.77 0.00 0.00 66.41 65.43 1fiu h THR 6 Cb 0.70 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1fiu h THR 6 CO 0.05 0.55 -0.01 1.56 0.37 0.00 0.00 175.52 178.04 1fiu h GLN 7 N 0.67 0.93 -0.41 6.66 4.20 -0.77 -1.85 115.11 124.54 1fiu h GLN 7 Ca 0.03 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 1fiu h GLN 7 Cb 1.09 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1fiu h GLN 7 CO 0.11 0.95 -0.11 0.93 -0.67 0.00 0.00 178.83 180.04 1fiu h GLU 8 N 0.80 0.74 -0.77 1.46 4.39 -0.59 0.36 114.58 120.97 1fiu h GLU 8 Ca 0.15 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1fiu h GLU 8 Cb 0.54 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1fiu h GLU 8 CO 0.03 0.83 0.31 -0.09 -1.16 0.00 0.00 179.01 178.93 1fiu h ARG 9 N 0.67 1.16 -0.38 2.33 2.43 -0.95 -0.78 114.38 118.85 1fiu h ARG 9 Ca 0.11 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 58.93 1fiu h ARG 9 Cb 0.58 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1fiu h ARG 9 CO 0.04 0.94 -0.33 -0.09 -1.51 0.00 0.00 179.97 179.02 1fiu h ARG 10 N 1.12 0.87 -1.01 0.20 9.65 -0.83 -1.71 114.38 122.68 1fiu h ARG 10 Ca 0.26 -0.42 0.01 0.00 -1.10 0.00 0.00 59.98 58.73 1fiu h ARG 10 Cb 0.21 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.74 1fiu h ARG 10 CO -0.02 1.06 0.67 0.82 2.80 0.00 0.00 179.97 185.30 1fiu h ILE 11 N 0.73 1.25 0.12 1.20 2.04 -0.63 0.18 117.51 122.40 1fiu h ILE 11 Ca 0.07 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1fiu h ILE 11 Cb 0.90 -0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1fiu h ILE 11 CO 0.08 0.25 -0.06 0.15 0.00 0.00 0.00 178.15 178.57 1fiu h PHE 12 N 1.36 -0.15 -0.84 1.37 3.57 -0.75 -0.63 116.94 120.86 1fiu h PHE 12 Ca 0.37 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 1fiu h PHE 12 Cb -0.14 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1fiu h PHE 12 CO -0.00 -0.09 0.46 0.45 -2.23 0.00 0.00 178.31 176.90 1fiu h HIS 13 N -0.16 1.16 -0.18 0.41 3.86 -0.91 -2.65 115.15 116.68 1fiu h HIS 13 Ca -0.02 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 1fiu h HIS 13 Cb 0.12 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1fiu h HIS 13 CO -0.07 0.80 -0.17 -0.22 0.86 0.00 0.00 177.93 179.13 1fiu h LYS 14 N 1.17 0.31 -0.60 2.45 1.63 -0.34 -0.64 116.57 120.55 1fiu h LYS 14 Ca 0.30 -0.08 -0.09 0.00 -0.85 0.00 0.00 60.65 59.92 1fiu h LYS 14 Cb 0.03 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1fiu h LYS 14 CO -0.05 0.48 0.02 0.87 -3.45 0.00 0.00 179.45 177.32 1fiu h LYS 15 N 0.29 1.03 -0.49 1.90 1.57 -0.78 0.31 116.57 120.39 1fiu h LYS 15 Ca 0.05 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 1fiu h LYS 15 Cb 0.47 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1fiu h LYS 15 CO 0.03 1.00 0.10 -0.07 -0.57 0.00 0.00 179.45 179.94 1fiu h LEU 16 N 0.95 0.77 -0.11 2.94 3.38 -1.05 -2.09 115.31 120.10 1fiu h LEU 16 Ca 0.17 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1fiu h LEU 16 Cb 0.52 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1fiu h LEU 16 CO 0.03 0.82 -0.07 -0.07 0.09 0.00 0.00 178.44 179.23 1fiu h LEU 17 N 0.68 0.26 -1.72 1.67 3.38 -0.90 -0.37 115.31 118.32 1fiu h LEU 17 Ca 0.15 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1fiu h LEU 17 Cb 0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1fiu h LEU 17 CO 0.01 0.64 -0.18 0.44 0.09 0.00 0.00 178.44 179.44 1fiu h ASP 18 N -0.12 0.00 -0.41 -0.43 3.32 -0.38 -1.09 116.42 117.31 1fiu h ASP 18 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1fiu h ASP 18 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1fiu h ASP 18 CO 0.02 0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 1fiu n GLY 19 N -0.74 1.10 2.54 2.75 0.00 -0.79 -4.91 105.19 105.13 1fiu n GLY 19 Ca -0.02 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 1fiu n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fiu n ASN 20 N 0.84 -5.24 -0.05 1.61 5.03 -0.41 -4.86 115.26 112.18 1fiu n ASN 20 Ca 0.16 0.45 -0.13 0.00 0.87 0.00 0.00 54.58 55.93 1fiu n ASN 20 Cb 0.41 -4.38 -0.08 0.00 -1.02 0.00 0.00 39.78 34.71 1fiu n ASN 20 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1fiu h ILE 21 N 0.00 1.36 -3.62 2.41 1.08 -1.32 -3.38 117.51 114.04 1fiu h ILE 21 Ca -0.38 -1.36 -0.69 0.00 -0.39 0.00 0.00 64.86 62.04 1fiu h ILE 21 Cb 1.21 1.97 -0.25 0.00 -3.07 0.00 0.00 36.82 36.68 1fiu h ILE 21 CO 0.56 0.40 -0.57 -0.22 -0.69 0.00 0.00 178.15 177.62 1fiu s LEU 22 N -9.04 4.21 0.39 1.44 2.96 -0.74 -4.75 118.68 113.14 1fiu s LEU 22 Ca -0.14 -0.77 -0.12 0.00 -0.22 0.00 0.00 54.13 52.88 1fiu s LEU 22 Cb 0.05 -1.96 0.04 0.00 0.50 0.00 0.00 46.19 44.83 1fiu s LEU 22 CO 0.75 -0.26 0.71 0.00 -1.32 0.00 0.00 176.35 176.24 1fiu s ALA 23 N 1.54 -0.28 -0.06 5.97 0.00 -1.26 -4.30 121.76 123.36 1fiu s ALA 23 Ca 0.03 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.03 1fiu s ALA 23 Cb -0.18 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1fiu s ALA 23 CO 0.05 -0.93 -0.22 0.99 0.00 0.00 0.00 175.76 175.65 1fiu s THR 24 N -2.36 1.85 0.88 0.00 2.01 -1.02 -0.50 115.64 116.49 1fiu s THR 24 Ca 0.20 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1fiu s THR 24 Cb -0.04 -1.58 0.18 0.00 0.01 0.00 0.00 72.50 71.07 1fiu s THR 24 CO 0.14 0.52 1.21 0.54 -0.69 0.00 0.00 174.62 176.34 1fiu s ASN 25 N 0.04 3.50 0.00 3.53 2.20 -0.38 -1.23 114.94 122.60 1fiu s ASN 25 Ca -0.08 -0.03 0.16 0.00 -0.94 0.00 0.00 52.86 51.97 1fiu s ASN 25 Cb -0.14 -0.10 0.97 0.00 -2.00 0.00 0.00 41.25 39.97 1fiu s ASN 25 CO 0.04 -2.46 1.40 -0.46 -2.94 0.00 0.00 177.10 172.68 1fiu n ASN 26 N -3.44 0.00 -0.79 3.54 0.23 -1.26 -1.30 115.26 112.25 1fiu n ASN 26 Ca 0.16 -0.73 0.08 0.00 -0.53 0.00 0.00 54.58 53.56 1fiu n ASN 26 Cb 0.60 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.43 1fiu n ASN 26 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1fiu n ARG 27 N -0.91 1.93 -0.62 -3.83 3.00 -1.26 -4.97 116.66 110.00 1fiu n ARG 27 Ca 0.12 -1.84 0.00 0.00 -0.01 0.00 0.00 57.85 56.13 1fiu n ARG 27 Cb 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.16 1fiu n ARG 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fiu n GLY 28 N 0.98 0.78 3.65 -0.13 0.00 -0.42 -5.03 105.19 105.02 1fiu n GLY 28 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1fiu n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fiu s VAL 29 N -2.88 4.84 0.36 1.61 1.01 -1.26 -4.78 120.40 119.31 1fiu s VAL 29 Ca 0.00 1.62 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 1fiu s VAL 29 Cb 0.00 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1fiu s VAL 29 CO 0.00 -0.04 1.06 -0.69 0.00 0.00 0.00 175.10 175.43 1fiu s VAL 30 N 2.61 3.67 -1.09 2.92 1.01 -1.26 -1.24 120.40 127.00 1fiu s VAL 30 Ca 0.37 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.83 1fiu s VAL 30 Cb -0.16 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.52 1fiu s VAL 30 CO 0.09 0.13 1.23 -1.54 0.00 0.00 0.00 175.10 175.01 1fiu n SER 31 N 0.35 0.00 -0.91 3.32 3.41 0.34 -1.02 113.62 119.10 1fiu n SER 31 Ca 0.03 0.43 0.09 0.00 -0.26 0.00 0.00 58.87 59.16 1fiu n SER 31 Cb 0.48 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 64.16 1fiu n SER 31 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1fiu n ASN 32 N -1.45 3.12 -4.94 4.04 6.94 -1.26 -4.97 115.26 116.74 1fiu n ASN 32 Ca 0.02 -1.91 -0.24 0.00 -0.02 0.00 0.00 54.58 52.44 1fiu n ASN 32 Cb 0.09 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 1fiu n ASN 32 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1fiu s ALA 33 N -1.18 3.69 -0.47 -2.53 0.00 -0.19 -4.37 121.76 116.71 1fiu s ALA 33 Ca 0.31 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 1fiu s ALA 33 Cb 0.18 -2.18 0.09 0.00 0.00 0.00 0.00 23.12 21.21 1fiu s ALA 33 CO 0.24 -0.24 0.38 0.34 0.00 0.00 0.00 175.76 176.48 1fiu s ASP 34 N -4.14 5.98 0.59 0.00 -1.08 -1.26 -4.92 116.67 111.84 1fiu s ASP 34 Ca 0.45 -1.53 0.29 0.00 -0.52 0.00 0.00 52.55 51.24 1fiu s ASP 34 Cb -0.10 -2.12 1.62 0.00 -1.46 0.00 0.00 42.92 40.86 1fiu s ASP 34 CO 0.38 -0.67 2.05 1.23 0.52 0.00 0.00 175.17 178.68 1fiu h GLY 35 N 8.66 0.00 2.00 2.66 0.00 -1.96 -0.16 103.07 114.27 1fiu h GLY 35 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1fiu h GLY 35 CO 0.88 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.86 1fiu n SER 36 N -3.74 0.41 -4.42 0.19 7.64 -1.26 -4.70 113.62 107.74 1fiu n SER 36 Ca 0.03 0.54 -0.42 0.00 1.01 0.00 0.00 58.87 60.03 1fiu n SER 36 Cb 0.40 -0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 62.85 1fiu n SER 36 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1fiu s ASN 37 N -3.77 5.96 0.16 6.43 3.84 -0.07 -4.99 114.94 122.50 1fiu s ASN 37 Ca 0.12 -0.98 -0.19 0.00 0.21 0.00 0.00 52.86 52.02 1fiu s ASN 37 Cb 0.15 -2.11 0.08 0.00 -0.55 0.00 0.00 41.25 38.82 1fiu s ASN 37 CO 0.55 -0.44 1.65 0.74 -2.79 0.00 0.00 177.10 176.82 1fiu h THR 38 N 5.74 0.52 -0.31 -5.21 2.02 -1.84 -0.48 112.91 113.36 1fiu h THR 38 Ca -0.26 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 1fiu h THR 38 Cb 1.11 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1fiu h THR 38 CO 0.72 0.00 -0.22 0.03 0.37 0.00 0.00 175.52 176.41 1fiu h ARG 39 N -0.09 0.59 -0.30 6.66 3.08 -1.94 -1.37 114.38 121.01 1fiu h ARG 39 Ca 0.18 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1fiu h ARG 39 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1fiu h ARG 39 CO -0.41 0.77 0.16 1.03 -1.07 0.00 0.00 179.97 180.46 1fiu h SER 40 N 0.52 0.39 -0.00 7.04 0.87 -1.72 -0.01 113.55 120.64 1fiu h SER 40 Ca 0.08 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1fiu h SER 40 Cb 0.67 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1fiu h SER 40 CO 0.05 0.38 -0.06 0.15 -0.53 0.00 0.00 176.83 176.81 1fiu h PHE 41 N 0.37 -0.15 -0.40 2.24 3.57 -0.81 -0.58 116.94 121.16 1fiu h PHE 41 Ca 0.11 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 1fiu h PHE 41 Cb 0.08 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1fiu h PHE 41 CO -0.03 -0.10 -0.29 -0.91 -2.23 0.00 0.00 178.31 174.76 1fiu h ASN 42 N -0.11 0.90 -0.29 0.41 2.35 -1.11 -1.09 115.58 116.64 1fiu h ASN 42 Ca 0.03 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.36 1fiu h ASN 42 Cb 0.14 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1fiu h ASN 42 CO -0.07 1.13 -0.02 0.40 -1.65 0.00 0.00 177.43 177.21 1fiu h ILE 43 N 0.74 1.27 -0.68 2.81 2.04 -0.91 -1.81 117.51 120.97 1fiu h ILE 43 Ca 0.08 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 1fiu h ILE 43 Cb 0.85 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1fiu h ILE 43 CO 0.07 0.32 0.26 0.00 0.00 0.00 0.00 178.15 178.80 1fiu h ALA 44 N 0.82 1.19 -0.46 1.87 0.00 -1.02 -1.31 119.26 120.34 1fiu h ALA 44 Ca 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1fiu h ALA 44 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1fiu h ALA 44 CO 0.02 0.59 0.07 -0.22 0.00 0.00 0.00 179.25 179.70 1fiu h LYS 45 N 0.98 0.77 -0.63 0.00 3.64 -1.12 -1.11 116.57 119.10 1fiu h LYS 45 Ca 0.23 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1fiu h LYS 45 Cb 0.20 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1fiu h LYS 45 CO -0.02 0.79 0.42 0.78 -2.27 0.00 0.00 179.45 179.15 1fiu h GLY 46 N 0.63 0.89 0.94 5.01 0.00 -0.85 -0.46 103.07 109.23 1fiu h GLY 46 Ca 0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1fiu h GLY 46 CO 0.01 0.32 0.07 -2.22 0.00 0.00 0.00 176.54 174.73 1fiu h ILE 47 N 0.85 1.24 -0.80 2.60 2.04 -1.10 -1.41 117.51 120.93 1fiu h ILE 47 Ca 0.23 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1fiu h ILE 47 Cb -0.10 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1fiu h ILE 47 CO -0.05 0.30 0.52 0.00 0.00 0.00 0.00 178.15 178.91 1fiu h ALA 48 N 0.94 1.01 -0.49 1.87 0.00 -0.87 -0.54 119.26 121.18 1fiu h ALA 48 Ca 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fiu h ALA 48 Cb 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1fiu h ALA 48 CO 0.01 0.44 0.30 -0.44 0.00 0.00 0.00 179.25 179.55 1fiu h ASP 49 N 1.08 0.59 0.89 0.00 3.32 -0.85 0.02 116.42 121.47 1fiu h ASP 49 Ca 0.29 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1fiu h ASP 49 Cb -0.10 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1fiu h ASP 49 CO -0.06 0.47 0.00 -0.07 -1.72 0.00 0.00 179.24 177.86 1fiu h LEU 50 N 0.66 0.00 -1.10 1.55 3.38 -0.60 -0.34 115.31 118.86 1fiu h LEU 50 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1fiu h LEU 50 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1fiu h LEU 50 CO -0.03 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.68 1fiu n LEU 51 N -2.83 1.70 -3.28 1.67 4.32 -0.27 -4.94 117.00 113.36 1fiu n LEU 51 Ca 0.01 -0.58 -0.21 0.00 -0.02 0.00 0.00 56.01 55.21 1fiu n LEU 51 Cb 0.27 -0.01 0.07 0.00 -1.62 0.00 0.00 43.42 42.14 1fiu n LEU 51 CO 0.25 0.29 0.21 1.41 -1.22 0.00 0.00 177.39 178.32 1fiu n HIS 52 N 0.33 -2.54 -2.74 -1.77 8.25 -0.14 -4.97 115.22 111.65 1fiu n HIS 52 Ca 0.18 0.91 -0.42 0.00 -0.26 0.00 0.00 57.72 58.14 1fiu n HIS 52 Cb 0.39 -4.67 -0.03 0.00 1.12 0.00 0.00 29.99 26.79 1fiu n HIS 52 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fiu s SER 53 N -3.40 7.34 0.00 0.41 0.15 -0.08 -4.92 113.70 113.19 1fiu s SER 53 Ca 0.47 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.73 1fiu s SER 53 Cb -0.21 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1fiu s SER 53 CO 0.66 -0.24 0.00 -0.62 1.20 0.00 0.00 173.24 174.23 1fiu n GLU 54 N 3.87 2.67 -1.91 5.44 1.02 -1.26 -4.74 120.64 125.73 1fiu n GLU 54 Ca 0.05 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 1fiu n GLU 54 Cb 0.51 -0.71 -0.02 0.00 -0.02 0.00 0.00 31.44 31.20 1fiu n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1fiu s THR 55 N -1.17 2.38 -0.19 2.62 2.01 -1.26 -4.96 115.64 115.07 1fiu s THR 55 Ca 0.00 0.33 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 1fiu s THR 55 Cb 0.00 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1fiu s THR 55 CO 0.00 0.06 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.25 1fiu s VAL 56 N -0.16 3.50 0.06 3.82 1.01 -1.26 -2.43 120.40 124.94 1fiu s VAL 56 Ca 0.60 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 1fiu s VAL 56 Cb -0.44 -2.56 0.09 0.00 0.00 0.00 0.00 36.38 33.46 1fiu s VAL 56 CO 0.47 0.45 0.74 -0.94 0.00 0.00 0.00 175.10 175.83 1fiu s SER 57 N 1.01 -0.49 0.56 3.32 1.04 -0.37 -4.96 113.70 113.82 1fiu s SER 57 Ca 0.00 0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.34 1fiu s SER 57 Cb -0.15 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 1fiu s SER 57 CO 0.00 -0.76 1.13 -1.61 0.98 0.00 0.00 173.24 172.99 1fiu s GLU 58 N -3.09 3.26 0.35 4.02 0.41 -1.26 -3.28 118.70 119.10 1fiu s GLU 58 Ca 0.01 1.61 -0.28 0.00 -0.41 0.00 0.00 54.97 55.90 1fiu s GLU 58 Cb -0.01 -1.99 -0.12 0.00 -1.78 0.00 0.00 34.13 30.23 1fiu s GLU 58 CO -0.08 -0.93 1.41 -2.13 -0.49 0.00 0.00 175.26 173.04 1fiu n ARG 59 N -1.45 2.43 -2.18 1.61 0.63 -1.26 -4.97 116.66 111.47 1fiu n ARG 59 Ca 0.12 0.85 -0.32 0.00 -0.92 0.00 0.00 57.85 57.58 1fiu n ARG 59 Cb 0.51 -2.52 -0.01 0.00 0.45 0.00 0.00 32.46 30.88 1fiu n ARG 59 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1fiu s LEU 60 N -1.48 3.47 0.55 6.15 1.43 -1.26 -4.99 118.68 122.55 1fiu s LEU 60 Ca 0.55 1.54 -0.21 0.00 -1.03 0.00 0.00 54.13 54.99 1fiu s LEU 60 Cb -0.52 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.14 1fiu s LEU 60 CO 0.62 -0.75 1.08 -2.65 0.23 0.00 0.00 176.35 174.88 1fiu n PRO 61 N -2.04 1.21 0.01 1.29 -0.02 -1.26 -4.75 135.00 129.44 1fiu n PRO 61 Ca 0.07 0.45 0.07 0.00 -2.02 0.00 0.00 63.50 62.07 1fiu n PRO 61 Cb 0.54 -2.25 0.47 0.00 -0.02 0.00 0.00 33.50 32.25 1fiu n PRO 61 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1fiu h GLY 62 N 0.98 0.50 1.66 -1.23 0.00 -1.99 -1.07 103.07 101.91 1fiu h GLY 62 Ca -0.48 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 46.59 1fiu h GLY 62 CO 0.54 0.15 -0.25 1.46 0.00 0.00 0.00 176.54 178.44 1fiu h GLN 63 N 0.44 0.40 0.05 4.80 7.50 -1.99 -0.89 115.11 125.41 1fiu h GLN 63 Ca 0.17 -0.14 -0.00 0.00 0.50 0.00 0.00 58.65 59.17 1fiu h GLN 63 Cb 0.13 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.64 1fiu h GLN 63 CO -0.04 0.63 -0.02 1.15 -1.50 0.00 0.00 178.83 179.04 1fiu h THR 64 N 0.36 1.27 -0.55 -0.54 2.02 -1.58 -2.56 112.91 111.33 1fiu h THR 64 Ca 0.05 -1.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.02 1fiu h THR 64 Cb 0.64 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 1fiu h THR 64 CO 0.05 0.29 0.08 0.77 0.37 0.00 0.00 175.52 177.07 1fiu h SER 65 N -0.59 0.84 -0.18 4.18 4.64 -1.30 -0.22 113.55 120.92 1fiu h SER 65 Ca -0.01 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1fiu h SER 65 Cb 0.52 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1fiu h SER 65 CO 0.01 0.86 0.10 1.23 -0.87 0.00 0.00 176.83 178.16 1fiu h GLY 66 N 1.00 0.27 0.92 -0.77 0.00 -1.21 0.87 103.07 104.15 1fiu h GLY 66 Ca 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1fiu h GLY 66 CO 0.01 0.12 -0.05 -0.57 0.00 0.00 0.00 176.54 176.04 1fiu h ASN 67 N 0.19 0.63 -0.76 0.19 -1.24 -1.32 -2.54 115.58 110.75 1fiu h ASN 67 Ca 0.06 -0.34 -0.05 0.00 0.71 0.00 0.00 56.30 56.68 1fiu h ASN 67 Cb 0.06 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 1fiu h ASN 67 CO -0.01 0.83 0.28 0.00 -1.29 0.00 0.00 177.43 177.23 1fiu h ALA 68 N 0.83 0.98 -0.74 1.57 0.00 -0.92 -1.27 119.26 119.71 1fiu h ALA 68 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1fiu h ALA 68 Cb 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1fiu h ALA 68 CO 0.03 0.63 0.32 0.35 0.00 0.00 0.00 179.25 180.58 1fiu h PHE 69 N 1.10 1.10 -0.22 0.00 3.57 -0.77 0.04 116.94 121.77 1fiu h PHE 69 Ca 0.25 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1fiu h PHE 69 Cb 0.25 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1fiu h PHE 69 CO 0.02 0.83 0.14 0.93 -2.23 0.00 0.00 178.31 178.00 1fiu h GLU 70 N 1.05 0.29 -0.36 1.11 5.08 -1.09 -0.41 114.58 120.25 1fiu h GLU 70 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1fiu h GLU 70 Cb 0.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1fiu h GLU 70 CO -0.02 0.22 0.23 0.00 -1.00 0.00 0.00 179.01 178.44 1fiu h ALA 71 N 1.05 0.46 -0.51 3.43 0.00 -0.77 -0.41 119.26 122.51 1fiu h ALA 71 Ca 0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1fiu h ALA 71 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1fiu h ALA 71 CO -0.02 -0.07 -0.14 0.82 0.00 0.00 0.00 179.25 179.84 1fiu h ILE 72 N 0.48 1.27 -0.74 0.00 2.04 -0.88 -1.59 117.51 118.10 1fiu h ILE 72 Ca 0.13 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1fiu h ILE 72 Cb -0.04 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1fiu h ILE 72 CO -0.03 0.45 0.36 0.00 0.00 0.00 0.00 178.15 178.93 1fiu h SER 74 N 1.04 0.38 -0.61 0.00 0.87 -0.69 -1.05 113.55 113.49 1fiu h SER 74 Ca 0.25 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1fiu h SER 74 Cb 0.12 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1fiu h SER 74 CO -0.03 0.27 0.20 -0.33 -0.53 0.00 0.00 176.83 176.41 1fiu h GLU 75 N 0.45 0.98 -0.16 2.24 5.08 -1.07 -0.48 114.58 121.62 1fiu h GLU 75 Ca 0.13 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1fiu h GLU 75 Cb -0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1fiu h GLU 75 CO -0.04 0.84 0.04 0.35 -1.00 0.00 0.00 179.01 179.20 1fiu h PHE 76 N 0.95 0.27 -0.57 4.33 3.57 -0.92 -1.42 116.94 123.15 1fiu h PHE 76 Ca 0.21 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1fiu h PHE 76 Cb 0.27 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1fiu h PHE 76 CO 0.02 0.40 0.33 0.28 -2.23 0.00 0.00 178.31 177.12 1fiu h VAL 77 N 0.06 1.18 -0.10 1.41 2.07 -0.96 -1.29 116.25 118.61 1fiu h VAL 77 Ca 0.05 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1fiu h VAL 77 Cb 0.27 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1fiu h VAL 77 CO 0.00 0.18 0.06 -0.61 0.02 0.00 0.00 177.57 177.22 1fiu h GLN 78 N 0.77 0.11 -0.31 1.57 -0.00 -1.02 0.11 115.11 116.34 1fiu h GLN 78 Ca 0.20 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.84 1fiu h GLN 78 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 1fiu h GLN 78 CO -0.04 0.08 0.15 0.77 0.00 0.00 0.00 178.83 179.79 1fiu h SER 79 N 0.12 0.40 -0.05 -0.69 0.02 -1.04 -2.56 113.55 109.76 1fiu h SER 79 Ca 0.04 -0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 1fiu h SER 79 Cb -0.00 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.45 1fiu h SER 79 CO -0.02 0.40 -0.57 0.00 -1.14 0.00 0.00 176.83 175.50 1fiu h ALA 80 N 1.01 0.14 0.00 3.77 0.00 -1.19 -3.26 119.26 119.73 1fiu h ALA 80 Ca 0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1fiu h ALA 80 Cb 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1fiu h ALA 80 CO -0.01 0.38 -0.19 0.35 0.00 0.00 0.00 179.25 179.77 1fiu h PHE 81 N 0.02 0.00 0.00 0.00 3.57 -1.00 -2.03 116.94 117.50 1fiu h PHE 81 Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1fiu h PHE 81 Cb 1.24 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 1fiu h PHE 81 CO 0.13 0.19 -0.05 1.49 -2.23 0.00 0.00 178.31 177.84 1fiu h GLU 82 N 0.00 0.00 0.00 1.11 4.81 -1.49 -1.03 114.58 117.97 1fiu h GLU 82 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1fiu h GLU 82 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1fiu h GLU 82 CO 0.03 0.05 0.00 1.63 -0.73 0.00 0.00 179.01 179.98 1fiu n LYS 83 N -4.23 0.48 -0.77 1.92 5.02 -0.76 -3.64 118.16 116.18 1fiu n LYS 83 Ca -0.03 0.02 0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1fiu n LYS 83 Cb 0.13 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 33.98 1fiu n LYS 83 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1fiu n LEU 84 N -1.24 5.13 -0.06 -0.35 4.77 -0.39 -4.64 117.00 120.22 1fiu n LEU 84 Ca 0.15 -3.04 0.17 0.00 -0.03 0.00 0.00 56.01 53.25 1fiu n LEU 84 Cb 0.20 -0.65 0.60 0.00 -2.33 0.00 0.00 43.42 41.24 1fiu n LEU 84 CO 0.20 0.70 1.19 -0.61 -1.33 0.00 0.00 177.39 177.54 1fiu h GLN 85 N 2.94 0.19 0.00 3.23 5.75 -1.73 0.66 115.11 126.15 1fiu h GLN 85 Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1fiu h GLN 85 Cb 1.85 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 30.36 1fiu h GLN 85 CO 0.44 0.13 0.00 1.12 -2.65 0.00 0.00 178.83 177.87 1fiu h HIS 86 N 0.20 0.00 0.00 3.99 2.07 -1.92 -1.58 115.15 117.90 1fiu h HIS 86 Ca 0.29 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.56 1fiu h HIS 86 Cb 0.87 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.80 1fiu h HIS 86 CO -0.00 0.00 -2.16 -0.89 -3.07 0.00 0.00 177.93 171.81 1fiu n ILE 87 N -2.81 1.03 -2.99 6.12 2.08 -0.02 -4.76 119.36 118.02 1fiu n ILE 87 Ca 0.03 -0.75 -0.13 0.00 0.56 0.00 0.00 62.75 62.46 1fiu n ILE 87 Cb 0.41 -0.40 -0.03 0.00 -0.75 0.00 0.00 39.64 38.87 1fiu n ILE 87 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1fiu n ARG 88 N -2.66 0.46 -1.27 0.38 3.00 0.02 -4.96 116.66 111.64 1fiu n ARG 88 Ca -0.23 -2.44 -0.31 0.00 -0.00 0.00 0.00 57.85 54.87 1fiu n ARG 88 Cb 0.97 -1.52 0.09 0.00 0.00 0.00 0.00 32.46 32.01 1fiu n ARG 88 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1fiu s PRO 89 N 0.47 2.26 0.00 -0.14 0.04 -0.60 -4.43 135.00 132.60 1fiu s PRO 89 Ca 0.31 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1fiu s PRO 89 Cb 0.05 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1fiu s PRO 89 CO -0.12 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1fiu n GLY 90 N -1.19 2.29 3.31 0.56 0.00 -1.26 -5.02 105.19 103.88 1fiu n GLY 90 Ca 0.09 -1.47 -0.46 0.00 0.00 0.00 0.00 46.02 44.18 1fiu n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fiu s ASP 91 N 0.00 6.51 0.08 1.61 2.15 -1.26 -5.03 116.67 120.72 1fiu s ASP 91 Ca 0.00 -2.50 -0.09 0.00 0.43 0.00 0.00 52.55 50.40 1fiu s ASP 91 Cb 0.00 -2.18 -0.06 0.00 -0.30 0.00 0.00 42.92 40.39 1fiu s ASP 91 CO 0.00 -0.62 0.38 0.26 -0.17 0.00 0.00 175.17 175.02 1fiu s TRP 92 N 0.48 3.56 -0.02 -5.34 0.52 -1.26 -0.70 118.94 116.17 1fiu s TRP 92 Ca 0.14 0.72 0.03 0.00 0.02 0.00 0.00 56.10 57.02 1fiu s TRP 92 Cb -0.15 -2.11 -0.00 0.00 -1.15 0.00 0.00 33.47 30.05 1fiu s TRP 92 CO -0.06 0.52 -0.12 1.21 0.02 0.00 0.00 176.95 178.52 1fiu s ASN 93 N -1.86 1.55 -0.11 2.95 2.47 -0.25 -4.98 114.94 114.71 1fiu s ASN 93 Ca 0.33 -0.24 0.02 0.00 0.42 0.00 0.00 52.86 53.39 1fiu s ASN 93 Cb -0.13 -0.33 0.01 0.00 -1.45 0.00 0.00 41.25 39.35 1fiu s ASN 93 CO 0.19 0.12 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.84 1fiu s VAL 94 N -0.03 1.54 -0.09 -5.21 1.01 -1.26 -0.67 120.40 115.69 1fiu s VAL 94 Ca -0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1fiu s VAL 94 Cb -0.08 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1fiu s VAL 94 CO 0.00 0.45 0.32 -1.59 0.00 0.00 0.00 175.10 174.28 1fiu s LYS 95 N 0.91 0.46 -0.12 2.72 -2.85 -0.47 -5.00 119.74 115.39 1fiu s LYS 95 Ca -0.08 0.27 -0.28 0.00 -1.00 0.00 0.00 55.97 54.88 1fiu s LYS 95 Cb -0.15 0.22 -0.02 0.00 -2.06 0.00 0.00 37.83 35.82 1fiu s LYS 95 CO -0.01 -0.08 0.94 -1.14 0.10 0.00 0.00 175.35 175.16 1fiu s GLN 96 N -0.25 4.39 0.00 1.78 0.74 -1.26 -1.06 119.66 124.01 1fiu s GLN 96 Ca -0.04 1.25 0.00 0.00 0.05 0.00 0.00 55.36 56.62 1fiu s GLN 96 Cb -0.03 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.54 1fiu s GLN 96 CO 0.01 -0.28 0.00 0.28 -0.55 0.00 0.00 175.29 174.75 1fiu n VAL 97 N 4.52 0.00 0.00 1.34 0.31 0.33 -4.98 118.33 119.84 1fiu n VAL 97 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1fiu n VAL 97 Cb 0.49 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 1fiu n VAL 97 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fiu n GLY 98 N 3.31 3.26 0.00 2.92 0.00 -0.36 -2.42 105.19 111.90 1fiu n GLY 98 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1fiu n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fiu n SER 99 N 5.23 0.00 0.02 1.61 3.41 -1.26 -3.43 113.62 119.19 1fiu n SER 99 Ca 0.00 -1.19 0.07 0.00 -0.26 0.00 0.00 58.87 57.49 1fiu n SER 99 Cb 0.00 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.26 1fiu n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fiu n ARG 100 N -0.83 0.03 -3.64 4.33 1.74 -1.02 -4.70 116.66 112.56 1fiu n ARG 100 Ca 0.14 0.30 -0.05 0.00 -0.77 0.00 0.00 57.85 57.48 1fiu n ARG 100 Cb 0.07 -1.56 -0.07 0.00 -1.02 0.00 0.00 32.46 29.88 1fiu n ARG 100 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1fiu s ASN 101 N -3.18 -0.29 0.13 0.55 2.47 -1.22 -5.15 114.94 108.25 1fiu s ASN 101 Ca 0.06 0.53 0.03 0.00 0.42 0.00 0.00 52.86 53.89 1fiu s ASN 101 Cb 0.09 0.72 -0.04 0.00 -1.45 0.00 0.00 41.25 40.57 1fiu s ASN 101 CO 0.26 -0.09 0.23 -0.60 -3.72 0.00 0.00 177.10 173.18 1fiu s ARG 102 N 0.47 3.31 -1.41 0.43 3.52 -1.26 -4.25 118.95 119.76 1fiu s ARG 102 Ca 0.01 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1fiu s ARG 102 Cb -0.04 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 1fiu s ARG 102 CO -0.11 0.53 0.00 -0.11 -0.81 0.00 0.00 175.30 174.80 1fiu n LEU 103 N -0.30 -0.99 -0.01 -0.88 7.94 0.17 -4.87 117.00 118.06 1fiu n LEU 103 Ca -0.07 0.32 0.03 0.00 -1.11 0.00 0.00 56.01 55.18 1fiu n LEU 103 Cb 0.53 -2.02 0.38 0.00 0.53 0.00 0.00 43.42 42.85 1fiu n LEU 103 CO 0.48 -0.68 1.09 -0.08 -1.11 0.00 0.00 177.39 177.09 1fiu h GLU 104 N 0.00 0.55 0.00 1.96 4.57 -1.79 -1.66 114.58 118.21 1fiu h GLU 104 Ca -0.28 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1fiu h GLU 104 Cb 0.88 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1fiu h GLU 104 CO 0.40 0.43 0.00 -0.84 -1.18 0.00 0.00 179.01 177.82 1fiu h ILE 105 N 0.56 0.00 0.00 2.32 3.07 -1.89 -0.89 117.51 120.68 1fiu h ILE 105 Ca 0.14 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1fiu h ILE 105 Cb 0.06 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.82 1fiu h ILE 105 CO -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.08 1fiu n ALA 106 N -1.99 2.14 1.09 0.16 0.00 -0.62 -1.40 120.51 119.87 1fiu n ALA 106 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.47 1fiu n ALA 106 Cb 0.22 -1.35 0.60 0.00 0.00 0.00 0.00 19.45 18.93 1fiu n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fiu n ARG 107 N -1.23 0.10 -4.19 0.00 1.74 -0.34 -4.15 116.66 108.59 1fiu n ARG 107 Ca 0.11 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 1fiu n ARG 107 Cb 0.15 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 1fiu n ARG 107 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fiu s TYR 108 N -2.91 2.83 0.22 -1.55 1.51 -0.50 -4.32 117.35 112.63 1fiu s TYR 108 Ca 0.17 -0.12 -0.15 0.00 -1.01 0.00 0.00 57.07 55.96 1fiu s TYR 108 Cb 0.19 -1.45 0.24 0.00 -0.11 0.00 0.00 41.96 40.83 1fiu s TYR 108 CO 0.53 0.46 1.59 0.37 -1.11 0.00 0.00 175.55 177.40 1fiu h GLN 109 N 3.36 -0.06 0.00 -0.62 4.15 -1.34 -0.64 115.11 119.96 1fiu h GLN 109 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1fiu h GLN 109 Cb 1.17 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1fiu h GLN 109 CO 0.56 -0.04 0.00 1.04 -1.93 0.00 0.00 178.83 178.46 1fiu n GLN 110 N -5.47 0.11 -0.15 1.69 3.00 -1.26 -2.91 117.38 112.39 1fiu n GLN 110 Ca 0.08 0.43 0.03 0.00 -0.01 0.00 0.00 57.00 57.53 1fiu n GLN 110 Cb 0.38 -1.75 0.04 0.00 0.00 0.00 0.00 30.24 28.90 1fiu n GLN 110 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1fiu n TYR 111 N -1.97 0.00 -0.13 1.08 4.02 -0.63 -1.75 117.16 117.78 1fiu n TYR 111 Ca 0.02 -0.39 0.17 0.00 -0.01 0.00 0.00 57.90 57.68 1fiu n TYR 111 Cb 0.15 -0.07 0.54 0.00 -0.02 0.00 0.00 39.34 39.95 1fiu n TYR 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fiu h ALA 112 N 0.00 2.20 0.00 -0.72 0.00 -1.03 -1.66 119.26 118.05 1fiu h ALA 112 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fiu h ALA 112 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1fiu h ALA 112 CO 0.00 -0.40 0.00 -2.39 0.00 0.00 0.00 179.25 176.46 1fiu n HIS 113 N -4.46 0.44 0.25 0.00 1.44 -1.26 -2.70 115.22 108.94 1fiu n HIS 113 Ca 0.14 0.18 0.12 0.00 -2.01 0.00 0.00 57.72 56.15 1fiu n HIS 113 Cb 0.55 -0.79 0.65 0.00 0.12 0.00 0.00 29.99 30.52 1fiu n HIS 113 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1fiu h LEU 114 N 0.00 0.00 -0.34 2.39 3.38 -1.65 -2.13 115.31 116.96 1fiu h LEU 114 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1fiu h LEU 114 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1fiu h LEU 114 CO 0.00 0.15 0.07 0.74 0.09 0.00 0.00 178.44 179.49 1fiu h THR 115 N 0.00 1.23 -0.69 0.22 2.02 -1.72 -0.62 112.91 113.35 1fiu h THR 115 Ca -0.00 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1fiu h THR 115 Cb 0.48 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1fiu h THR 115 CO 0.02 0.26 0.25 0.00 0.37 0.00 0.00 175.52 176.42 1fiu h ALA 116 N 0.91 1.15 -0.42 6.16 0.00 -1.60 -0.23 119.26 125.23 1fiu h ALA 116 Ca 0.10 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1fiu h ALA 116 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1fiu h ALA 116 CO 0.00 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.79 1fiu h LEU 117 N 1.00 0.72 -0.99 0.00 3.38 -1.14 -0.64 115.31 117.63 1fiu h LEU 117 Ca 0.23 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1fiu h LEU 117 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1fiu h LEU 117 CO -0.02 0.85 0.19 0.00 0.09 0.00 0.00 178.44 179.56 1fiu h ALA 118 N 0.89 1.19 -0.52 1.53 0.00 -0.77 0.24 119.26 121.83 1fiu h ALA 118 Ca 0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1fiu h ALA 118 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1fiu h ALA 118 CO 0.02 0.57 -0.08 0.87 0.00 0.00 0.00 179.25 180.63 1fiu h LYS 119 N 0.89 0.96 -0.53 0.00 1.79 -0.78 -0.99 116.57 117.91 1fiu h LYS 119 Ca 0.20 -0.35 -0.04 0.00 -2.18 0.00 0.00 60.65 58.28 1fiu h LYS 119 Cb 0.25 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1fiu h LYS 119 CO -0.01 1.02 0.16 0.00 -1.08 0.00 0.00 179.45 179.54 1fiu h ALA 120 N 0.92 0.70 -0.05 3.86 0.00 -0.60 -2.42 119.26 121.67 1fiu h ALA 120 Ca 0.14 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1fiu h ALA 120 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1fiu h ALA 120 CO 0.04 0.36 -0.25 0.00 0.00 0.00 0.00 179.25 179.40 1fiu h ALA 121 N 1.03 1.50 0.00 0.00 0.00 -0.76 -0.44 119.26 120.59 1fiu h ALA 121 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1fiu h ALA 121 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1fiu h ALA 121 CO -0.00 0.37 -0.12 1.49 0.00 0.00 0.00 179.25 180.98 1fiu h GLU 122 N 0.07 0.00 0.00 0.00 4.81 -0.68 -2.80 114.58 115.98 1fiu h GLU 122 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1fiu h GLU 122 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1fiu h GLU 122 CO 0.03 0.12 -0.79 0.39 -0.73 0.00 0.00 179.01 178.04 1fiu n GLU 123 N -3.71 2.43 -3.77 1.92 1.02 -0.78 -4.87 120.64 112.88 1fiu n GLU 123 Ca -0.02 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.81 1fiu n GLU 123 Cb 0.23 -1.12 -0.16 0.00 -0.02 0.00 0.00 31.44 30.37 1fiu n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1fiu s ASN 124 N -2.42 3.30 0.05 1.62 2.47 -0.24 -5.06 114.94 114.65 1fiu s ASN 124 Ca 0.03 -1.04 -0.11 0.00 0.42 0.00 0.00 52.86 52.16 1fiu s ASN 124 Cb 0.09 -0.75 -0.03 0.00 -1.45 0.00 0.00 41.25 39.11 1fiu s ASN 124 CO 0.50 -0.31 1.18 1.55 -3.72 0.00 0.00 177.10 176.30 1fiu h PRO 125 N 8.16 -0.10 -0.64 0.43 0.13 -1.87 -2.93 132.00 135.19 1fiu h PRO 125 Ca -0.16 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.03 1fiu h PRO 125 Cb 1.09 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 1fiu h PRO 125 CO 0.38 -0.07 -0.37 -1.91 -0.23 0.00 0.00 178.00 175.79 1fiu n GLU 126 N -3.63 -0.28 -0.26 0.86 4.07 -1.26 0.13 120.64 120.27 1fiu n GLU 126 Ca -0.01 1.10 0.14 0.00 -0.06 0.00 0.00 57.16 58.33 1fiu n GLU 126 Cb 0.11 -1.61 0.27 0.00 -0.06 0.00 0.00 31.44 30.15 1fiu n GLU 126 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1fiu n LEU 127 N -4.58 -0.01 -0.30 4.31 4.77 -1.11 0.28 117.00 120.37 1fiu n LEU 127 Ca 0.01 1.29 -0.03 0.00 -0.03 0.00 0.00 56.01 57.26 1fiu n LEU 127 Cb 0.17 -0.51 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1fiu n LEU 127 CO -0.10 -1.34 1.21 0.00 -1.33 0.00 0.00 177.39 175.83 1fiu h ALA 128 N 1.53 1.06 -0.31 -1.18 0.00 0.10 0.89 119.26 121.36 1fiu h ALA 128 Ca 0.50 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.26 1fiu h ALA 128 Cb 1.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1fiu h ALA 128 CO -0.69 0.41 -0.28 0.00 0.00 0.00 0.00 179.25 178.69 1fiu h ALA 129 N 1.32 0.94 0.06 0.00 0.00 0.43 -0.61 119.26 121.40 1fiu h ALA 129 Ca 0.31 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1fiu h ALA 129 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1fiu h ALA 129 CO -0.09 0.61 -0.85 0.00 0.00 0.00 0.00 179.25 178.92 1fiu h ALA 130 N 1.15 0.10 -0.09 0.00 0.00 -0.79 -3.36 119.26 116.27 1fiu h ALA 130 Ca 0.07 -0.88 -0.11 0.00 0.00 0.00 0.00 54.91 53.99 1fiu h ALA 130 Cb 0.75 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1fiu h ALA 130 CO 0.06 0.47 -0.45 -0.07 0.00 0.00 0.00 179.25 179.26 1fiu h LEU 131 N -0.69 0.23 0.00 0.00 3.38 0.72 -3.49 115.31 115.46 1fiu h LEU 131 Ca -0.20 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1fiu h LEU 131 Cb 1.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1fiu h LEU 131 CO -0.01 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1fiu n GLY 132 N -0.10 -1.88 0.00 0.83 0.00 -0.24 -4.82 105.19 98.99 1fiu n GLY 132 Ca -0.02 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1fiu n GLY 132 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fiu n SER 133 N 0.47 0.43 0.09 1.61 3.41 -1.26 -4.84 113.62 113.54 1fiu n SER 133 Ca 0.00 -0.03 0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1fiu n SER 133 Cb 0.00 0.15 0.43 0.00 -0.26 0.00 0.00 64.21 64.53 1fiu n SER 133 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1fiu n ASP 134 N -0.19 0.46 0.00 4.04 8.00 -1.26 -1.95 116.55 125.65 1fiu n ASP 134 Ca 0.00 0.62 0.05 0.00 0.71 0.00 0.00 54.79 56.17 1fiu n ASP 134 Cb 0.00 -0.72 0.21 0.00 -0.02 0.00 0.00 41.12 40.60 1fiu n ASP 134 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fiu n TYR 135 N -2.02 0.00 1.27 1.24 0.18 -1.26 -1.29 117.16 115.27 1fiu n TYR 135 Ca 0.02 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.93 1fiu n TYR 135 Cb 0.20 -0.48 0.42 0.00 -0.38 0.00 0.00 39.34 39.09 1fiu n TYR 135 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1fiu n THR 136 N -1.48 0.00 -2.37 -3.48 -2.24 -0.82 -4.86 114.28 99.02 1fiu n THR 136 Ca 0.03 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1fiu n THR 136 Cb 0.11 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1fiu n THR 136 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1fiu s ILE 137 N -2.51 4.03 0.09 2.28 1.01 -0.41 0.45 121.20 126.14 1fiu s ILE 137 Ca 0.25 1.39 -0.17 0.00 0.00 0.00 0.00 60.65 62.12 1fiu s ILE 137 Cb 0.19 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 1fiu s ILE 137 CO 0.52 0.02 0.55 -0.89 0.00 0.00 0.00 174.94 175.13 1fiu s THR 138 N 2.09 4.81 0.75 2.92 2.01 -1.26 -4.87 115.64 122.08 1fiu s THR 138 Ca 0.59 1.03 -0.14 0.00 0.31 0.00 0.00 61.69 63.48 1fiu s THR 138 Cb -0.28 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.47 1fiu s THR 138 CO 0.25 0.44 1.20 -2.84 -0.69 0.00 0.00 174.62 172.97 1fiu s PRO 139 N -1.44 2.04 0.15 4.92 0.02 -1.26 -4.32 135.00 135.11 1fiu s PRO 139 Ca 0.32 1.73 -0.17 0.00 0.02 0.00 0.00 61.00 62.90 1fiu s PRO 139 Cb -0.17 -1.82 0.03 0.00 0.02 0.00 0.00 34.50 32.55 1fiu s PRO 139 CO 0.18 -1.91 1.78 -0.44 -0.33 0.00 0.00 177.00 176.29 1fiu h ASP 140 N -0.46 0.28 -4.01 2.53 3.32 -1.92 -0.94 116.42 115.23 1fiu h ASP 140 Ca -0.47 0.01 -0.38 0.00 0.02 0.00 0.00 57.03 56.21 1fiu h ASP 140 Cb 1.29 -0.04 -0.29 0.00 0.22 0.00 0.00 39.33 40.51 1fiu h ASP 140 CO 0.49 0.21 -0.77 -0.63 -1.72 0.00 0.00 179.24 176.81 1fiu s ILE 141 N -6.16 0.65 0.12 0.35 1.01 -0.65 -0.52 121.20 116.01 1fiu s ILE 141 Ca -0.13 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.26 1fiu s ILE 141 Cb 0.11 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1fiu s ILE 141 CO 0.71 0.18 -0.22 0.27 0.00 0.00 0.00 174.94 175.89 1fiu s ILE 142 N -0.19 1.88 -0.10 2.92 -4.36 -0.22 -0.78 121.20 120.35 1fiu s ILE 142 Ca 0.03 -1.68 0.04 0.00 -0.26 0.00 0.00 60.65 58.78 1fiu s ILE 142 Cb -0.03 -1.73 -0.00 0.00 1.25 0.00 0.00 42.46 41.95 1fiu s ILE 142 CO -0.00 -0.08 -0.23 -0.69 0.24 0.00 0.00 174.94 174.18 1fiu s VAL 143 N -1.33 2.19 0.20 8.37 1.01 -0.71 -1.36 120.40 128.77 1fiu s VAL 143 Ca 0.10 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1fiu s VAL 143 Cb -0.09 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1fiu s VAL 143 CO 0.05 0.56 -0.12 0.42 0.00 0.00 0.00 175.10 176.01 1fiu s THR 144 N 0.26 1.59 -0.10 3.92 -4.23 0.16 -0.03 115.64 117.20 1fiu s THR 144 Ca -0.15 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.21 1fiu s THR 144 Cb -0.17 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.61 1fiu s THR 144 CO 0.08 -0.58 -0.19 -0.60 -0.54 0.00 0.00 174.62 172.79 1fiu s ARG 145 N -3.68 2.55 0.58 3.99 3.52 -0.01 -1.09 118.95 124.80 1fiu s ARG 145 Ca 0.23 -0.69 -0.14 0.00 -0.13 0.00 0.00 55.73 54.99 1fiu s ARG 145 Cb 0.01 -2.04 -0.05 0.00 -1.56 0.00 0.00 34.95 31.31 1fiu s ARG 145 CO 0.06 0.04 1.02 -0.80 -0.81 0.00 0.00 175.30 174.81 1fiu s ASN 146 N 0.69 6.21 0.82 -2.12 0.01 0.12 -1.23 114.94 119.45 1fiu s ASN 146 Ca -0.12 1.56 -0.12 0.00 -0.71 0.00 0.00 52.86 53.47 1fiu s ASN 146 Cb -0.16 -2.50 0.09 0.00 0.41 0.00 0.00 41.25 39.09 1fiu s ASN 146 CO 0.03 -0.88 1.11 -0.76 -1.51 0.00 0.00 177.10 175.09 1fiu s LEU 147 N -4.69 2.46 -0.07 0.60 1.43 -1.26 -4.58 118.68 112.56 1fiu s LEU 147 Ca 0.58 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.91 1fiu s LEU 147 Cb -0.12 -3.75 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 1fiu s LEU 147 CO 0.43 -2.10 -0.09 -0.63 0.23 0.00 0.00 176.35 174.18 1fiu s ILE 148 N -3.20 3.48 0.56 -0.59 1.01 0.98 -4.81 121.20 118.64 1fiu s ILE 148 Ca 0.61 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 1fiu s ILE 148 Cb -0.14 -2.42 -0.06 0.00 0.01 0.00 0.00 42.46 39.85 1fiu s ILE 148 CO 0.54 0.59 1.01 0.00 0.00 0.00 0.00 174.94 177.08 1fiu s ALA 149 N -0.63 2.98 0.43 9.38 0.00 -1.26 -2.59 121.76 130.07 1fiu s ALA 149 Ca 0.09 0.17 0.12 0.00 0.00 0.00 0.00 51.96 52.35 1fiu s ALA 149 Cb -0.11 -3.14 0.99 0.00 0.00 0.00 0.00 23.12 20.86 1fiu s ALA 149 CO 0.02 -0.50 2.00 -0.44 0.00 0.00 0.00 175.76 176.84 1fiu h ASP 150 N 0.50 0.39 -0.64 0.00 3.32 -1.98 -1.53 116.42 116.48 1fiu h ASP 150 Ca -0.46 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.66 1fiu h ASP 150 Cb 1.19 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1fiu h ASP 150 CO 0.60 0.25 0.43 0.00 -1.72 0.00 0.00 179.24 178.80 1fiu h ALA 151 N 1.71 1.80 0.10 3.45 0.00 -1.92 0.14 119.26 124.54 1fiu h ALA 151 Ca 0.24 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1fiu h ALA 151 Cb 0.39 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1fiu h ALA 151 CO -0.07 0.09 -0.71 1.49 0.00 0.00 0.00 179.25 180.05 1fiu h GLU 152 N 0.62 0.31 -0.74 0.00 4.57 -1.66 -2.24 114.58 115.43 1fiu h GLU 152 Ca 0.28 -0.46 0.05 0.00 -1.18 0.00 0.00 59.36 58.04 1fiu h GLU 152 Cb 0.31 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 1fiu h GLU 152 CO -0.09 1.19 0.45 0.82 -1.18 0.00 0.00 179.01 180.20 1fiu h ILE 153 N -0.35 1.05 -0.55 2.32 2.04 -1.17 -1.27 117.51 119.57 1fiu h ILE 153 Ca -0.12 -0.29 -0.24 0.00 1.00 0.00 0.00 64.86 65.21 1fiu h ILE 153 Cb 1.52 0.13 -0.15 0.00 -0.74 0.00 0.00 36.82 37.59 1fiu h ILE 153 CO 0.14 0.15 0.31 0.59 0.00 0.00 0.00 178.15 179.34 1fiu n ASN 154 N -4.68 3.56 -0.21 1.72 3.02 0.46 -4.56 115.26 114.56 1fiu n ASN 154 Ca 0.09 -2.89 -0.02 0.00 -0.03 0.00 0.00 54.58 51.74 1fiu n ASN 154 Cb 0.13 -0.69 0.09 0.00 -0.61 0.00 0.00 39.78 38.71 1fiu n ASN 154 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1fiu h ARG 155 N 1.03 0.58 0.00 3.52 2.43 -0.59 -3.30 114.38 118.05 1fiu h ARG 155 Ca 0.30 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 1fiu h ARG 155 Cb 1.98 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 31.38 1fiu h ARG 155 CO 0.59 0.39 -1.82 0.09 -1.51 0.00 0.00 179.97 177.71 1fiu n ASN 156 N -4.84 1.51 -3.94 -3.80 3.02 -1.26 -5.04 115.26 100.90 1fiu n ASN 156 Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 1fiu n ASN 156 Cb 0.19 1.33 -0.07 0.00 -0.61 0.00 0.00 39.78 40.62 1fiu n ASN 156 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1fiu s GLU 157 N -2.75 1.05 -0.97 3.52 2.02 -1.24 -5.08 118.70 115.24 1fiu s GLU 157 Ca -0.06 -1.13 -0.19 0.00 0.02 0.00 0.00 54.97 53.61 1fiu s GLU 157 Cb 0.07 0.36 0.12 0.00 0.10 0.00 0.00 34.13 34.78 1fiu s GLU 157 CO 0.61 -0.37 1.20 0.12 0.02 0.00 0.00 175.26 176.85 1fiu s PHE 158 N -3.94 3.07 -0.12 1.61 5.36 -1.26 -4.27 117.98 118.44 1fiu s PHE 158 Ca 0.14 -1.39 -0.10 0.00 -0.96 0.00 0.00 56.93 54.62 1fiu s PHE 158 Cb 0.04 -4.34 -0.26 0.00 -0.34 0.00 0.00 43.02 38.12 1fiu s PHE 158 CO -0.03 -1.54 0.42 -0.07 -1.46 0.00 0.00 175.22 172.54 1fiu h LEU 159 N 10.67 0.40 -8.37 6.12 3.38 -1.90 -3.49 115.31 122.12 1fiu h LEU 159 Ca 0.18 -0.89 -0.23 0.00 0.09 0.00 0.00 57.88 57.03 1fiu h LEU 159 Cb 1.01 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.47 1fiu h LEU 159 CO 1.16 1.78 -0.70 0.68 0.09 0.00 0.00 178.44 181.45 1fiu s VAL 160 N -2.53 0.64 0.01 1.22 -7.23 -1.26 -5.06 120.40 106.20 1fiu s VAL 160 Ca -0.22 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1fiu s VAL 160 Cb 0.06 -1.44 -0.00 0.00 0.56 0.00 0.00 36.38 35.56 1fiu s VAL 160 CO 0.76 -0.77 0.01 -0.90 -0.31 0.00 0.00 175.10 173.89 1fiu n ASP 161 N 0.29 0.06 0.00 4.85 5.75 -1.26 -4.98 116.55 121.26 1fiu n ASP 161 Ca -0.15 -1.08 0.10 0.00 -0.01 0.00 0.00 54.79 53.65 1fiu n ASP 161 Cb 0.59 0.06 0.55 0.00 -1.03 0.00 0.00 41.12 41.29 1fiu n ASP 161 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1fiu n GLU 162 N -0.02 0.43 -0.23 0.11 0.00 -1.26 -3.42 120.64 116.24 1fiu n GLU 162 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 57.16 57.28 1fiu n GLU 162 Cb 0.02 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.13 1fiu n GLU 162 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1fiu n ASN 163 N -1.17 3.09 -3.94 -1.84 3.02 -1.26 -4.85 115.26 108.30 1fiu n ASN 163 Ca 0.12 -2.38 -0.10 0.00 -0.03 0.00 0.00 54.58 52.19 1fiu n ASN 163 Cb 0.12 -0.31 -0.11 0.00 -0.61 0.00 0.00 39.78 38.87 1fiu n ASN 163 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1fiu s ILE 164 N -1.67 0.10 -1.48 2.41 1.10 -1.22 -4.86 121.20 115.58 1fiu s ILE 164 Ca 0.27 -0.83 -0.03 0.00 -0.51 0.00 0.00 60.65 59.55 1fiu s ILE 164 Cb 0.18 -0.31 0.03 0.00 0.15 0.00 0.00 42.46 42.51 1fiu s ILE 164 CO 0.11 -0.45 0.41 0.00 -2.11 0.00 0.00 174.94 172.89 1fiu n ALA 165 N 1.58 -1.89 0.73 1.50 0.00 -1.26 -4.56 120.51 116.61 1fiu n ALA 165 Ca -0.23 -0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.07 1fiu n ALA 165 Cb 0.55 -1.68 0.48 0.00 0.00 0.00 0.00 19.45 18.81 1fiu n ALA 165 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1fiu n THR 166 N -4.43 0.47 0.18 0.00 -2.24 -1.26 -3.25 114.28 103.75 1fiu n THR 166 Ca -0.25 0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.60 1fiu n THR 166 Cb 0.66 -0.72 0.06 0.00 -2.10 0.00 0.00 70.33 68.22 1fiu n THR 166 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1fiu n TYR 167 N -1.74 0.10 -1.67 4.78 4.02 -1.26 -5.03 117.16 116.36 1fiu n TYR 167 Ca 0.05 -0.16 -0.46 0.00 -0.01 0.00 0.00 57.90 57.32 1fiu n TYR 167 Cb 0.30 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.57 1fiu n TYR 167 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fiu n ALA 168 N 0.36 1.33 -0.22 -0.72 0.00 -1.20 -4.87 120.51 115.19 1fiu n ALA 168 Ca 0.06 0.39 0.13 0.00 0.00 0.00 0.00 53.44 54.02 1fiu n ALA 168 Cb 0.25 -2.41 0.43 0.00 0.00 0.00 0.00 19.45 17.72 1fiu n ALA 168 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1fiu h SER 169 N 7.01 0.54 0.91 0.00 0.02 -1.95 -2.63 113.55 117.44 1fiu h SER 169 Ca -0.46 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 1fiu h SER 169 Cb 1.25 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1fiu h SER 169 CO 0.91 0.28 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.73 1fiu h LEU 170 N 0.57 0.00 -9.36 5.07 3.38 -1.96 -3.45 115.31 109.56 1fiu h LEU 170 Ca 0.41 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.83 1fiu h LEU 170 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1fiu h LEU 170 CO -0.16 0.07 0.70 -0.13 0.09 0.00 0.00 178.44 179.01 1fiu s ARG 171 N -3.72 4.35 0.42 1.13 0.52 -1.00 -0.01 118.95 120.64 1fiu s ARG 171 Ca 0.00 1.76 -0.22 0.00 -0.52 0.00 0.00 55.73 56.76 1fiu s ARG 171 Cb 0.10 -3.51 -0.10 0.00 0.52 0.00 0.00 34.95 31.95 1fiu s ARG 171 CO 0.57 -0.44 0.96 0.00 0.02 0.00 0.00 175.30 176.42 1fiu s ALA 172 N 2.00 3.05 0.00 2.13 0.00 -1.07 -4.71 121.76 123.17 1fiu s ALA 172 Ca 0.58 0.45 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1fiu s ALA 172 Cb -0.27 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1fiu s ALA 172 CO 0.24 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.49 1fiu n GLY 173 N -0.36 4.59 2.76 0.00 0.00 -1.26 -4.95 105.19 105.97 1fiu n GLY 173 Ca 0.06 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1fiu n GLY 173 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fiu n ASN 174 N 0.00 5.72 0.00 1.61 3.02 -1.26 -4.85 115.26 119.50 1fiu n ASN 174 Ca 0.00 -3.72 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 1fiu n ASN 174 Cb 0.00 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 1fiu n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fiu n GLY 175 N -0.29 0.50 3.72 7.41 0.00 -1.26 -4.92 105.19 110.35 1fiu n GLY 175 Ca 0.40 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 1fiu n GLY 175 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fiu n ASN 176 N 0.00 3.37 -4.89 1.61 3.02 -1.26 -4.99 115.26 112.12 1fiu n ASN 176 Ca 0.00 1.16 -0.22 0.00 -0.03 0.00 0.00 54.58 55.49 1fiu n ASN 176 Cb 0.00 -1.53 0.06 0.00 -0.61 0.00 0.00 39.78 37.70 1fiu n ASN 176 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1fiu s MET 177 N -0.75 2.26 0.93 3.52 -1.94 -1.26 -4.77 119.30 117.29 1fiu s MET 177 Ca 0.64 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 53.68 1fiu s MET 177 Cb -0.55 -2.41 0.15 0.00 2.01 0.00 0.00 34.83 34.03 1fiu s MET 177 CO 0.52 -0.98 1.09 -1.25 -0.01 0.00 0.00 175.02 174.39 1fiu s PRO 178 N -4.92 0.97 0.02 2.03 0.04 -1.26 -4.31 135.00 127.57 1fiu s PRO 178 Ca 0.60 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 1fiu s PRO 178 Cb -0.09 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1fiu s PRO 178 CO 0.41 -2.42 0.36 -0.51 0.04 0.00 0.00 177.00 174.88 1fiu s LEU 179 N -6.32 4.40 -0.27 -3.56 1.43 -0.36 -1.20 118.68 112.80 1fiu s LEU 179 Ca 0.64 0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 54.28 1fiu s LEU 179 Cb -0.18 -2.72 -0.00 0.00 0.03 0.00 0.00 46.19 43.31 1fiu s LEU 179 CO 0.57 0.26 0.80 -0.22 0.23 0.00 0.00 176.35 177.99 1fiu s LEU 180 N -1.54 4.08 -0.13 1.79 2.96 -1.26 -0.83 118.68 123.74 1fiu s LEU 180 Ca 0.27 0.87 -0.10 0.00 -0.22 0.00 0.00 54.13 54.95 1fiu s LEU 180 Cb -0.14 -3.12 -0.25 0.00 0.50 0.00 0.00 46.19 43.18 1fiu s LEU 180 CO 0.15 -0.54 0.35 1.57 -1.32 0.00 0.00 176.35 176.55 1fiu n HIS 181 N 6.07 1.24 -3.72 5.38 -0.00 0.95 -4.53 115.22 120.61 1fiu n HIS 181 Ca 0.04 0.30 -0.14 0.00 -0.00 0.00 0.00 57.72 57.93 1fiu n HIS 181 Cb 0.48 -1.16 -0.09 0.00 -0.00 0.00 0.00 29.99 29.23 1fiu n HIS 181 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fiu s ALA 182 N -2.52 -0.99 -0.21 1.57 0.00 -0.82 -0.63 121.76 118.16 1fiu s ALA 182 Ca -0.23 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 1fiu s ALA 182 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1fiu s ALA 182 CO 0.74 -0.26 -0.05 0.45 0.00 0.00 0.00 175.76 176.64 1fiu s SER 183 N -0.96 4.32 -0.26 0.00 0.15 0.58 -1.74 113.70 115.80 1fiu s SER 183 Ca -0.10 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.19 1fiu s SER 183 Cb -0.04 -1.74 0.05 0.00 -1.71 0.00 0.00 66.02 62.59 1fiu s SER 183 CO 0.04 0.00 -0.10 -0.63 1.20 0.00 0.00 173.24 173.76 1fiu s ILE 184 N 1.35 2.37 -0.04 6.45 1.01 0.04 -1.74 121.20 130.64 1fiu s ILE 184 Ca 0.04 -1.45 -0.14 0.00 0.00 0.00 0.00 60.65 59.10 1fiu s ILE 184 Cb -0.14 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 1fiu s ILE 184 CO -0.02 0.05 0.38 -0.44 0.00 0.00 0.00 174.94 174.91 1fiu s SER 185 N 1.17 6.72 -0.02 3.58 0.01 -0.41 -1.64 113.70 123.11 1fiu s SER 185 Ca -0.06 0.85 0.07 0.00 1.31 0.00 0.00 55.95 58.12 1fiu s SER 185 Cb -0.19 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 1fiu s SER 185 CO -0.05 0.27 -0.22 0.00 0.41 0.00 0.00 173.24 173.65 1fiu s LYS 187 N -0.80 0.14 0.14 0.00 1.02 -0.30 -4.95 119.74 114.99 1fiu s LYS 187 Ca 0.11 -0.09 -0.18 0.00 0.02 0.00 0.00 55.97 55.83 1fiu s LYS 187 Cb -0.10 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 1fiu s LYS 187 CO 0.00 -0.64 1.79 2.35 -0.92 0.00 0.00 175.35 177.94 1fiu h TRP 188 N 8.40 0.36 -4.18 3.18 -0.00 -1.90 -2.64 115.95 119.17 1fiu h TRP 188 Ca -0.15 0.01 -0.27 0.00 -0.00 0.00 0.00 58.89 58.48 1fiu h TRP 188 Cb 1.14 -0.12 -0.15 0.00 -0.00 0.00 0.00 29.16 30.04 1fiu h TRP 188 CO 0.20 0.22 -0.63 0.95 -0.00 0.00 0.00 178.44 179.18 1fiu s THR 189 N -6.17 0.30 0.05 2.65 -4.23 -1.26 -2.80 115.64 104.18 1fiu s THR 189 Ca -0.13 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1fiu s THR 189 Cb 0.10 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1fiu s THR 189 CO 0.71 -0.16 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.84 1fiu s ILE 190 N -3.94 1.26 0.01 2.99 1.01 -1.26 -4.90 121.20 116.38 1fiu s ILE 190 Ca 0.34 -1.09 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1fiu s ILE 190 Cb 0.07 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1fiu s ILE 190 CO 0.09 0.03 -0.15 -0.13 0.00 0.00 0.00 174.94 174.78 1fiu s ARG 191 N -1.23 1.14 0.62 2.79 1.81 -1.26 -4.99 118.95 117.83 1fiu s ARG 191 Ca 0.03 -0.66 0.36 0.00 -1.72 0.00 0.00 55.73 53.74 1fiu s ARG 191 Cb -0.08 -1.14 2.06 0.00 -0.45 0.00 0.00 34.95 35.34 1fiu s ARG 191 CO 0.02 0.30 2.30 0.66 -0.68 0.00 0.00 175.30 177.89 1fiu h SER 192 N 5.37 0.00 0.03 0.23 4.64 -1.97 -1.29 113.55 120.57 1fiu h SER 192 Ca -0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1fiu h SER 192 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1fiu h SER 192 CO 0.46 0.00 -0.01 -2.24 -0.87 0.00 0.00 176.83 174.17 1fiu h ASP 193 N 0.00 -0.03 0.82 4.97 -0.00 -1.98 -3.34 116.42 116.85 1fiu h ASP 193 Ca -0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.03 56.37 1fiu h ASP 193 Cb 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.36 1fiu h ASP 193 CO 0.00 0.74 0.00 -2.11 -0.00 0.00 0.00 179.24 177.88 1fiu n ARG 194 N -4.72 0.07 0.26 4.15 1.85 -1.04 -2.62 116.66 114.61 1fiu n ARG 194 Ca -0.08 0.20 0.16 0.00 -1.00 0.00 0.00 57.85 57.13 1fiu n ARG 194 Cb 0.34 -1.60 0.53 0.00 -1.05 0.00 0.00 32.46 30.67 1fiu n ARG 194 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1fiu h ALA 195 N 2.62 1.00 0.00 2.89 0.00 -1.36 -3.27 119.26 121.13 1fiu h ALA 195 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fiu h ALA 195 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1fiu h ALA 195 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1fiu n GLN 196 N -3.10 0.14 0.23 0.00 1.13 -1.08 -2.45 117.38 112.25 1fiu n GLN 196 Ca 0.02 0.38 0.16 0.00 -1.94 0.00 0.00 57.00 55.62 1fiu n GLN 196 Cb 0.38 -1.77 0.72 0.00 0.11 0.00 0.00 30.24 29.68 1fiu n GLN 196 CO 0.00 0.00 0.00 -2.95 -1.44 0.00 0.00 177.06 172.67 1fiu h ASN 197 N 0.00 0.00 0.14 1.08 -1.07 -1.80 -1.45 115.58 112.48 1fiu h ASN 197 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.25 1fiu h ASN 197 Cb 0.32 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.56 1fiu h ASN 197 CO 0.00 0.00 -0.44 0.00 0.07 0.00 0.00 177.43 177.06 1fiu h ALA 198 N 2.08 0.96 -0.17 4.14 0.00 -1.77 -1.09 119.26 123.41 1fiu h ALA 198 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1fiu h ALA 198 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1fiu h ALA 198 CO 0.00 0.63 -0.52 0.00 0.00 0.00 0.00 179.25 179.36 1fiu h ARG 199 N 0.30 0.66 -0.30 0.00 3.08 -1.47 -1.41 114.38 115.24 1fiu h ARG 199 Ca 0.02 -0.48 -0.13 0.00 0.07 0.00 0.00 59.98 59.46 1fiu h ARG 199 Cb 0.90 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1fiu h ARG 199 CO 0.08 1.10 -0.34 0.66 -1.07 0.00 0.00 179.97 180.40 1fiu h SER 200 N 0.35 0.69 -0.34 7.04 4.64 -1.36 -1.03 113.55 123.53 1fiu h SER 200 Ca -0.02 -0.28 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 1fiu h SER 200 Cb 1.15 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1fiu h SER 200 CO 0.11 0.97 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.47 1fiu h GLU 201 N 0.56 0.84 -0.60 4.77 5.08 -1.23 -1.86 114.58 122.14 1fiu h GLU 201 Ca 0.06 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1fiu h GLU 201 Cb 0.84 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1fiu h GLU 201 CO 0.07 0.99 0.21 0.78 -1.00 0.00 0.00 179.01 180.06 1fiu h GLY 202 N 0.93 0.98 1.06 -3.84 0.00 -1.00 -2.55 103.07 98.66 1fiu h GLY 202 Ca 0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1fiu h GLY 202 CO 0.06 0.52 0.38 -2.00 0.00 0.00 0.00 176.54 175.51 1fiu h LEU 203 N 0.84 1.10 -1.11 3.11 5.85 -1.01 -1.08 115.31 123.01 1fiu h LEU 203 Ca 0.20 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1fiu h LEU 203 Cb 0.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1fiu h LEU 203 CO -0.01 0.94 0.20 0.78 -0.34 0.00 0.00 178.44 180.01 1fiu h ASN 204 N 1.19 0.77 -0.21 1.25 2.35 -1.09 0.45 115.58 120.28 1fiu h ASN 204 Ca 0.28 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1fiu h ASN 204 Cb 0.14 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1fiu h ASN 204 CO -0.03 0.71 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.15 1fiu h LEU 205 N 0.82 0.68 0.07 1.61 3.38 -0.93 -2.48 115.31 118.45 1fiu h LEU 205 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1fiu h LEU 205 Cb 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1fiu h LEU 205 CO -0.01 0.90 -0.03 0.58 0.09 0.00 0.00 178.44 179.97 1fiu h VAL 206 N 0.59 1.15 0.00 1.22 2.07 -0.71 -3.18 116.25 117.38 1fiu h VAL 206 Ca 0.08 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1fiu h VAL 206 Cb 0.72 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1fiu h VAL 206 CO 0.06 0.18 -0.37 0.03 0.02 0.00 0.00 177.57 177.49 1fiu h ARG 207 N -0.42 0.00 -0.36 1.57 3.08 -0.86 -3.26 114.38 114.12 1fiu h ARG 207 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1fiu h ARG 207 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1fiu h ARG 207 CO 0.01 0.37 0.00 0.09 -1.07 0.00 0.00 179.97 179.38 1fiu n ASN 208 N -3.91 3.15 -4.80 7.04 3.02 -0.94 -5.03 115.26 113.79 1fiu n ASN 208 Ca -0.01 -1.91 -0.34 0.00 -0.03 0.00 0.00 54.58 52.28 1fiu n ASN 208 Cb 0.43 -0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.32 1fiu n ASN 208 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fiu s ARG 209 N -1.19 3.89 -0.26 3.52 1.70 -1.20 -4.76 118.95 120.64 1fiu s ARG 209 Ca 0.32 1.36 0.01 0.00 -0.47 0.00 0.00 55.73 56.95 1fiu s ARG 209 Cb 0.18 -2.16 0.07 0.00 -0.57 0.00 0.00 34.95 32.47 1fiu s ARG 209 CO 0.25 -0.36 -0.00 0.15 -1.08 0.00 0.00 175.30 174.26 1fiu s LYS 210 N -3.13 1.38 0.00 3.89 1.02 -0.72 -5.05 119.74 117.14 1fiu s LYS 210 Ca 0.66 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1fiu s LYS 210 Cb -0.16 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1fiu s LYS 210 CO 0.20 -0.73 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1fiu n GLY 211 N 4.66 -0.24 3.76 -3.33 0.00 -1.26 -4.08 105.19 104.69 1fiu n GLY 211 Ca -0.07 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 1fiu n GLY 211 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fiu s ARG 212 N -0.13 4.40 0.28 1.61 3.52 -1.26 -4.97 118.95 122.41 1fiu s ARG 212 Ca 0.00 2.11 -0.30 0.00 -0.13 0.00 0.00 55.73 57.41 1fiu s ARG 212 Cb 0.00 -3.13 -0.11 0.00 -1.56 0.00 0.00 34.95 30.15 1fiu s ARG 212 CO 0.00 -0.16 1.49 -1.17 -0.81 0.00 0.00 175.30 174.65 1fiu s LEU 213 N -1.12 4.37 1.02 -0.88 2.96 -1.26 -4.99 118.68 118.78 1fiu s LEU 213 Ca 0.51 2.81 -0.13 0.00 -0.22 0.00 0.00 54.13 57.11 1fiu s LEU 213 Cb -0.38 -3.63 0.20 0.00 0.50 0.00 0.00 46.19 42.88 1fiu s LEU 213 CO 0.46 -0.78 1.09 -2.84 -1.32 0.00 0.00 176.35 172.96 1fiu s PRO 214 N -0.72 0.27 0.38 0.98 0.02 -1.26 -4.96 135.00 129.71 1fiu s PRO 214 Ca 0.59 0.47 -0.27 0.00 0.02 0.00 0.00 61.00 61.81 1fiu s PRO 214 Cb -0.44 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 1fiu s PRO 214 CO 0.48 -2.83 1.38 -1.01 -0.33 0.00 0.00 177.00 174.69 1fiu s HIS 215 N -2.96 2.75 -0.27 6.54 3.76 0.19 -4.86 115.29 120.45 1fiu s HIS 215 Ca 0.66 1.32 -0.01 0.00 -0.15 0.00 0.00 55.06 56.88 1fiu s HIS 215 Cb -0.19 -3.82 0.08 0.00 1.11 0.00 0.00 32.58 29.76 1fiu s HIS 215 CO 0.58 -2.43 0.04 0.42 -0.85 0.00 0.00 174.74 172.50 1fiu s ILE 216 N -1.18 1.06 0.21 0.60 1.01 -1.26 -0.30 121.20 121.34 1fiu s ILE 216 Ca 0.54 -1.23 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1fiu s ILE 216 Cb -0.42 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 1fiu s ILE 216 CO 0.56 -0.41 0.01 0.68 0.00 0.00 0.00 174.94 175.77 1fiu s VAL 217 N 1.56 0.85 -0.02 2.92 -7.23 -0.71 -0.18 120.40 117.59 1fiu s VAL 217 Ca 0.03 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 1fiu s VAL 217 Cb -0.18 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1fiu s VAL 217 CO -0.15 -0.34 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.47 1fiu s VAL 218 N -3.55 1.15 -0.06 1.32 1.01 -1.07 -1.29 120.40 117.92 1fiu s VAL 218 Ca 0.28 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1fiu s VAL 218 Cb 0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1fiu s VAL 218 CO 0.08 0.33 -0.22 -0.69 0.00 0.00 0.00 175.10 174.60 1fiu s VAL 219 N -0.19 2.31 0.03 2.92 1.01 0.94 -0.45 120.40 126.98 1fiu s VAL 219 Ca 0.02 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1fiu s VAL 219 Cb -0.07 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1fiu s VAL 219 CO 0.00 0.57 0.13 0.28 0.00 0.00 0.00 175.10 176.08 1fiu s THR 220 N -0.22 0.12 -1.04 3.92 -1.32 -0.50 -1.15 115.64 115.45 1fiu s THR 220 Ca -0.01 -0.96 0.13 0.00 -1.21 0.00 0.00 61.69 59.63 1fiu s THR 220 Cb -0.13 -0.81 0.37 0.00 -1.51 0.00 0.00 72.50 70.42 1fiu s THR 220 CO 0.03 -0.53 1.31 0.00 -2.21 0.00 0.00 174.62 173.22 1fiu n ALA 221 N 0.88 2.26 -1.69 11.08 0.00 -0.99 -0.82 120.51 131.24 1fiu n ALA 221 Ca -0.20 -1.23 -0.45 0.00 0.00 0.00 0.00 53.44 51.56 1fiu n ALA 221 Cb 0.58 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1fiu n ALA 221 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1fiu n GLU 222 N 0.63 2.42 0.12 0.00 4.07 -1.12 -4.85 120.64 121.91 1fiu n GLU 222 Ca 0.14 0.87 -0.00 0.00 -0.06 0.00 0.00 57.16 58.11 1fiu n GLU 222 Cb 0.49 -2.69 -0.01 0.00 -0.06 0.00 0.00 31.44 29.17 1fiu n GLU 222 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1fiu h PRO 223 N 6.92 0.00 -5.84 5.31 0.13 -1.90 -3.46 132.00 133.16 1fiu h PRO 223 Ca -0.45 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 1fiu h PRO 223 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.30 1fiu h PRO 223 CO 0.92 0.66 -0.09 0.95 -0.23 0.00 0.00 178.00 180.21 1fiu s THR 224 N -2.92 5.12 0.42 1.56 -4.23 -1.26 -4.90 115.64 109.43 1fiu s THR 224 Ca 0.03 1.05 0.11 0.00 -1.18 0.00 0.00 61.69 61.70 1fiu s THR 224 Cb 0.09 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.37 1fiu s THR 224 CO 0.77 0.34 2.01 -0.65 -0.54 0.00 0.00 174.62 176.55 1fiu h PRO 225 N 6.45 0.47 -0.17 3.99 0.11 -1.89 -1.43 132.00 139.54 1fiu h PRO 225 Ca -0.42 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1fiu h PRO 225 Cb 1.19 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1fiu h PRO 225 CO 0.74 0.31 0.09 0.66 -0.21 0.00 0.00 178.00 179.60 1fiu h SER 226 N 0.49 0.15 -0.05 -2.05 4.64 -1.92 0.98 113.55 115.79 1fiu h SER 226 Ca 0.22 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 1fiu h SER 226 Cb 0.27 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1fiu h SER 226 CO -0.06 0.11 -0.45 0.03 -0.87 0.00 0.00 176.83 175.59 1fiu h ARG 227 N 0.20 0.59 -0.82 4.77 3.08 -1.83 -2.65 114.38 117.72 1fiu h ARG 227 Ca 0.06 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1fiu h ARG 227 Cb -0.00 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1fiu h ARG 227 CO -0.03 0.92 0.50 0.82 -1.07 0.00 0.00 179.97 181.11 1fiu h ILE 228 N 0.48 1.23 0.00 2.04 2.04 -1.04 -2.20 117.51 120.05 1fiu h ILE 228 Ca 0.03 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1fiu h ILE 228 Cb 0.97 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1fiu h ILE 228 CO 0.09 0.24 -0.10 0.77 0.00 0.00 0.00 178.15 179.15 1fiu h SER 229 N 1.13 0.00 0.20 1.72 4.64 -0.44 -1.11 113.55 119.69 1fiu h SER 229 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1fiu h SER 229 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1fiu h SER 229 CO -0.06 0.10 0.00 0.77 -0.87 0.00 0.00 176.83 176.77 1fiu h SER 230 N 0.00 0.00 0.00 4.97 4.64 -1.29 -2.34 113.55 119.52 1fiu h SER 230 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fiu h SER 230 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1fiu h SER 230 CO 0.01 0.00 -0.93 0.00 -0.87 0.00 0.00 176.83 175.04 1fiu n ILE 231 N -2.85 0.00 0.09 0.95 0.13 -0.82 -4.81 119.36 112.05 1fiu n ILE 231 Ca -0.02 0.00 -0.15 0.00 -1.10 0.00 0.00 62.75 61.48 1fiu n ILE 231 Cb 0.11 -0.15 -0.14 0.00 -0.84 0.00 0.00 39.64 38.62 1fiu n ILE 231 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1fiu h ALA 232 N 0.00 0.16 -2.43 1.51 0.00 -1.15 -3.46 119.26 113.89 1fiu h ALA 232 Ca 0.00 -0.94 -0.48 0.00 0.00 0.00 0.00 54.91 53.49 1fiu h ALA 232 Cb 0.41 0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.29 1fiu h ALA 232 CO 0.00 1.04 0.41 -0.51 0.00 0.00 0.00 179.25 180.18 1fiu s LEU 233 N -7.06 3.89 0.00 0.00 1.43 -0.89 -4.83 118.68 111.22 1fiu s LEU 233 Ca -0.04 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1fiu s LEU 233 Cb 0.07 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.82 1fiu s LEU 233 CO 0.87 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1fiu n GLY 234 N -0.02 0.95 3.20 -3.19 0.00 -1.26 -4.98 105.19 99.89 1fiu n GLY 234 Ca 0.09 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 1fiu n GLY 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fiu s THR 235 N -2.68 0.61 0.00 2.61 -4.23 -1.26 -4.91 115.64 105.78 1fiu s THR 235 Ca 0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1fiu s THR 235 Cb 0.00 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1fiu s THR 235 CO 0.00 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 1fiu n GLY 236 N -0.13 0.98 0.46 3.99 0.00 -1.26 -4.89 105.19 104.34 1fiu n GLY 236 Ca -0.09 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 1fiu n GLY 236 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fiu n GLU 237 N 0.00 0.35 -4.26 1.61 4.71 -1.26 -4.90 120.64 116.89 1fiu n GLU 237 Ca 0.00 0.15 -0.34 0.00 -0.01 0.00 0.00 57.16 56.96 1fiu n GLU 237 Cb 0.00 -1.10 -0.12 0.00 -1.01 0.00 0.00 31.44 29.21 1fiu n GLU 237 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1fiu s ILE 238 N -2.30 4.07 0.09 -3.67 1.01 -1.26 -4.68 121.20 114.46 1fiu s ILE 238 Ca -0.23 -0.29 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 1fiu s ILE 238 Cb 0.08 -2.81 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 1fiu s ILE 238 CO 0.29 0.47 1.55 0.44 0.00 0.00 0.00 174.94 177.70 1fiu h ASP 239 N 6.86 0.40 -4.28 3.58 3.32 -0.96 -3.47 116.42 121.87 1fiu h ASP 239 Ca -0.33 -0.27 0.19 0.00 0.02 0.00 0.00 57.03 56.63 1fiu h ASP 239 Cb 1.18 -0.11 -0.19 0.00 0.22 0.00 0.00 39.33 40.44 1fiu h ASP 239 CO 0.64 0.57 0.69 0.00 -1.72 0.00 0.00 179.24 179.42 1fiu s VAL 241 N -2.39 3.56 -0.12 0.00 1.01 -0.68 -2.58 120.40 119.20 1fiu s VAL 241 Ca 0.07 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1fiu s VAL 241 Cb -0.01 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1fiu s VAL 241 CO -0.05 0.37 -0.18 -0.31 0.00 0.00 0.00 175.10 174.92 1fiu s TYR 242 N -1.01 2.27 0.05 5.22 1.51 0.41 -0.99 117.35 124.81 1fiu s TYR 242 Ca 0.17 -1.10 -0.14 0.00 -1.01 0.00 0.00 57.07 55.00 1fiu s TYR 242 Cb -0.11 -1.59 -0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1fiu s TYR 242 CO 0.08 -0.53 0.44 -1.58 -1.11 0.00 0.00 175.55 172.85 1fiu s HIS 243 N 0.90 3.68 0.27 2.71 2.46 0.53 -1.40 115.29 124.43 1fiu s HIS 243 Ca -0.07 0.97 0.37 0.00 0.47 0.00 0.00 55.06 56.80 1fiu s HIS 243 Cb -0.15 -2.28 1.74 0.00 -0.13 0.00 0.00 32.58 31.75 1fiu s HIS 243 CO -0.01 0.57 2.10 0.27 -2.47 0.00 0.00 174.74 175.20 1fiu h PHE 244 N 4.23 0.00 -0.76 3.88 -0.00 -1.31 -0.17 116.94 122.82 1fiu h PHE 244 Ca -0.50 0.00 -0.34 0.00 -0.00 0.00 0.00 57.97 57.13 1fiu h PHE 244 Cb 1.21 0.00 -0.24 0.00 -0.00 0.00 0.00 35.95 36.92 1fiu h PHE 244 CO 0.69 0.00 -0.73 0.00 -0.00 0.00 0.00 178.31 178.27 1fiu n ALA 245 N -2.06 0.20 -0.23 12.09 0.00 -1.26 -4.72 120.51 124.53 1fiu n ALA 245 Ca -0.01 -2.18 -0.07 0.00 0.00 0.00 0.00 53.44 51.18 1fiu n ALA 245 Cb 0.20 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.60 1fiu n ALA 245 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1fiu h LEU 246 N 3.30 0.89 -0.86 0.00 5.85 -1.89 -1.17 115.31 121.44 1fiu h LEU 246 Ca -0.04 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 1fiu h LEU 246 Cb 1.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1fiu h LEU 246 CO 0.30 0.82 -0.02 1.88 -0.34 0.00 0.00 178.44 181.08 1fiu h TYR 247 N 0.90 0.88 -0.33 1.25 0.99 -1.95 -1.24 116.97 117.47 1fiu h TYR 247 Ca 0.21 -0.14 -0.13 0.00 2.00 0.00 0.00 58.73 60.68 1fiu h TYR 247 Cb 0.21 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.70 1fiu h TYR 247 CO 0.01 0.82 -0.30 0.93 -0.00 0.00 0.00 178.16 179.63 1fiu h GLU 248 N 0.76 0.79 -0.29 4.88 3.07 -1.94 -1.48 114.58 120.37 1fiu h GLU 248 Ca 0.14 -0.41 0.02 0.00 -0.50 0.00 0.00 59.36 58.62 1fiu h GLU 248 Cb 0.50 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 1fiu h GLU 248 CO 0.02 1.04 0.12 1.25 -1.40 0.00 0.00 179.01 180.04 1fiu h LEU 249 N 0.57 0.16 -0.35 1.33 5.85 -0.89 -0.72 115.31 121.26 1fiu h LEU 249 Ca 0.06 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1fiu h LEU 249 Cb 0.88 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1fiu h LEU 249 CO 0.08 0.13 0.23 -0.08 -0.34 0.00 0.00 178.44 178.45 1fiu h GLU 250 N 0.26 0.46 -0.61 1.25 4.81 -1.11 -1.19 114.58 118.45 1fiu h GLU 250 Ca 0.12 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1fiu h GLU 250 Cb 0.07 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1fiu h GLU 250 CO -0.11 0.31 0.38 0.37 -0.73 0.00 0.00 179.01 179.24 1fiu h GLN 251 N 0.47 0.82 -0.23 1.92 4.15 -0.97 -1.83 115.11 119.45 1fiu h GLN 251 Ca 0.13 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.33 1fiu h GLN 251 Cb -0.04 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 1fiu h GLN 251 CO -0.03 0.58 -0.47 0.97 -1.93 0.00 0.00 178.83 177.95 1fiu h ILE 252 N 0.83 1.31 -0.73 2.39 6.09 -0.91 -0.57 117.51 125.91 1fiu h ILE 252 Ca 0.22 -1.68 -0.01 0.00 -1.37 0.00 0.00 64.86 62.03 1fiu h ILE 252 Cb -0.05 1.64 -0.04 0.00 0.47 0.00 0.00 36.82 38.85 1fiu h ILE 252 CO -0.04 0.53 0.42 -0.07 -3.07 0.00 0.00 178.15 175.91 1fiu h LEU 253 N 0.48 0.89 -0.18 2.19 3.38 -0.99 -0.76 115.31 120.32 1fiu h LEU 253 Ca 0.03 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1fiu h LEU 253 Cb 1.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1fiu h LEU 253 CO 0.09 0.71 -0.11 1.56 0.09 0.00 0.00 178.44 180.78 1fiu h GLN 254 N 1.02 0.39 -0.38 1.13 4.20 -0.94 -2.44 115.11 118.09 1fiu h GLN 254 Ca 0.26 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1fiu h GLN 254 Cb -0.00 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1fiu h GLN 254 CO -0.05 0.71 0.07 0.77 -0.67 0.00 0.00 178.83 179.66 1fiu h SER 255 N 0.06 0.52 0.91 1.46 0.02 -0.74 -2.51 113.55 113.27 1fiu h SER 255 Ca 0.04 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1fiu h SER 255 Cb 0.61 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1fiu h SER 255 CO 0.03 0.54 -0.25 0.18 -1.14 0.00 0.00 176.83 176.19 1fiu n LEU 256 N -4.32 0.39 -3.70 5.07 4.77 -0.32 -4.95 117.00 113.94 1fiu n LEU 256 Ca 0.02 0.32 -0.25 0.00 -0.03 0.00 0.00 56.01 56.07 1fiu n LEU 256 Cb 0.21 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1fiu n LEU 256 CO 0.38 -0.00 0.14 0.59 -1.33 0.00 0.00 177.39 177.17 1fiu n ASN 257 N -1.72 -4.59 -4.46 -1.43 4.13 -0.94 -4.89 115.26 101.36 1fiu n ASN 257 Ca 0.06 -0.67 -0.44 0.00 1.68 0.00 0.00 54.58 55.21 1fiu n ASN 257 Cb 0.37 -4.51 -0.01 0.00 -1.54 0.00 0.00 39.78 34.09 1fiu n ASN 257 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1fiu s TYR 258 N -3.37 3.42 0.22 3.10 4.12 -1.10 -4.86 117.35 118.87 1fiu s TYR 258 Ca 0.46 -1.98 -0.08 0.00 0.02 0.00 0.00 57.07 55.49 1fiu s TYR 258 Cb -0.22 -4.31 0.25 0.00 -1.52 0.00 0.00 41.96 36.16 1fiu s TYR 258 CO 0.78 -1.42 1.83 0.93 0.02 0.00 0.00 175.55 177.69 1fiu h GLU 259 N 7.51 0.78 -0.46 -0.62 4.39 -1.90 -0.79 114.58 123.49 1fiu h GLU 259 Ca 0.28 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.87 1fiu h GLU 259 Cb 0.90 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1fiu h GLU 259 CO 1.22 0.51 0.03 -0.44 -1.16 0.00 0.00 179.01 179.17 1fiu h ASP 260 N 0.80 0.76 -0.49 1.42 3.32 -1.99 -0.46 116.42 119.78 1fiu h ASP 260 Ca 0.31 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1fiu h ASP 260 Cb 0.14 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1fiu h ASP 260 CO -0.16 0.86 -0.01 0.00 -1.72 0.00 0.00 179.24 178.21 1fiu h ALA 261 N 0.93 0.96 -0.61 3.45 0.00 -1.92 -1.70 119.26 120.37 1fiu h ALA 261 Ca 0.13 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1fiu h ALA 261 Cb 0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1fiu h ALA 261 CO 0.02 0.63 0.09 1.25 0.00 0.00 0.00 179.25 181.24 1fiu h LEU 262 N 0.85 0.98 -0.41 0.00 6.46 -0.94 0.10 115.31 122.36 1fiu h LEU 262 Ca 0.16 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1fiu h LEU 262 Cb 0.52 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1fiu h LEU 262 CO 0.03 1.00 0.26 0.44 -0.62 0.00 0.00 178.44 179.55 1fiu h ASP 263 N 0.93 0.48 -0.51 1.25 3.32 -0.76 -0.89 116.42 120.24 1fiu h ASP 263 Ca 0.19 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1fiu h ASP 263 Cb 0.44 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1fiu h ASP 263 CO 0.01 0.36 0.06 0.25 -1.72 0.00 0.00 179.24 178.20 1fiu h LEU 264 N 0.55 0.84 -0.30 1.55 5.85 -1.08 -0.73 115.31 121.99 1fiu h LEU 264 Ca 0.15 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1fiu h LEU 264 Cb -0.04 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 1fiu h LEU 264 CO -0.03 0.91 -0.16 0.15 -0.34 0.00 0.00 178.44 178.96 1fiu h PHE 265 N 0.74 -0.40 -0.07 1.25 3.57 -0.67 -1.41 116.94 119.96 1fiu h PHE 265 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1fiu h PHE 265 Cb 0.44 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1fiu h PHE 265 CO 0.03 -0.23 -0.37 1.88 -2.23 0.00 0.00 178.31 177.39 1fiu h TYR 266 N -0.12 0.17 -0.48 0.41 0.99 -0.83 -0.09 116.97 117.02 1fiu h TYR 266 Ca 0.16 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 1fiu h TYR 266 Cb 0.36 -0.04 -0.02 0.00 1.00 0.00 0.00 36.73 38.02 1fiu h TYR 266 CO -0.36 0.51 0.29 0.82 -0.00 0.00 0.00 178.16 179.42 1fiu h ILE 267 N 0.13 1.15 -0.34 -2.88 2.04 -0.65 0.18 117.51 117.14 1fiu h ILE 267 Ca 0.01 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 1fiu h ILE 267 Cb 0.72 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1fiu h ILE 267 CO 0.05 0.15 -0.36 0.24 0.00 0.00 0.00 178.15 178.24 1fiu h MET 268 N 0.64 0.84 0.02 2.37 2.86 -0.79 -0.68 114.93 120.20 1fiu h MET 268 Ca 0.17 -0.45 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1fiu h MET 268 Cb -0.01 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1fiu h MET 268 CO -0.03 1.09 -0.01 0.28 1.06 0.00 0.00 176.91 179.30 1fiu h VAL 269 N 0.63 1.50 0.00 -2.22 2.07 -0.91 0.17 116.25 117.50 1fiu h VAL 269 Ca 0.05 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1fiu h VAL 269 Cb 0.95 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1fiu h VAL 269 CO 0.09 0.43 -0.14 0.78 0.02 0.00 0.00 177.57 178.75 1fiu h ASN 270 N -0.76 0.00 -0.28 0.57 2.35 -0.75 -2.02 115.58 114.68 1fiu h ASN 270 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1fiu h ASN 270 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1fiu h ASN 270 CO 0.00 0.14 0.00 0.61 -1.65 0.00 0.00 177.43 176.53 1fiu n GLY 271 N -0.69 0.38 3.57 2.83 0.00 -0.26 -4.93 105.19 106.09 1fiu n GLY 271 Ca -0.02 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1fiu n GLY 271 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fiu n LYS 272 N 0.32 -5.94 -0.00 1.61 4.76 -0.76 -4.85 118.16 113.30 1fiu n LYS 272 Ca 0.09 0.72 0.04 0.00 -2.87 0.00 0.00 58.31 56.29 1fiu n LYS 272 Cb 0.25 -5.64 -0.05 0.00 -1.84 0.00 0.00 35.03 27.75 1fiu n LYS 272 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1fiu n ARG 273 N -4.55 2.69 -3.76 1.97 5.12 0.55 -4.85 116.66 113.82 1fiu n ARG 273 Ca -0.00 -0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.75 1fiu n ARG 273 Cb 0.56 -1.00 -0.14 0.00 -1.16 0.00 0.00 32.46 30.71 1fiu n ARG 273 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1fiu s LEU 274 N -2.86 0.86 0.00 0.55 2.96 -0.87 -1.68 118.68 117.63 1fiu s LEU 274 Ca 0.01 0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.25 1fiu s LEU 274 Cb 0.06 0.38 -0.02 0.00 0.50 0.00 0.00 46.19 47.11 1fiu s LEU 274 CO 0.33 -0.13 0.15 0.29 -1.32 0.00 0.00 176.35 175.67 1fiu n LYS 275 N 3.99 0.42 -3.34 1.98 5.02 -0.16 -4.32 118.16 121.75 1fiu n LYS 275 Ca -0.24 -2.23 -0.28 0.00 -2.02 0.00 0.00 58.31 53.55 1fiu n LYS 275 Cb 0.53 1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 37.12 1fiu n LYS 275 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1fiu s ASP 276 N -2.58 6.40 0.46 4.39 2.15 -1.26 -0.35 116.67 125.89 1fiu s ASP 276 Ca 0.22 0.65 0.20 0.00 0.43 0.00 0.00 52.55 54.05 1fiu s ASP 276 Cb 0.01 -2.12 1.19 0.00 -0.30 0.00 0.00 42.92 41.70 1fiu s ASP 276 CO 0.15 -0.22 1.93 -0.29 -0.17 0.00 0.00 175.17 176.57 1fiu h ILE 277 N 1.20 0.74 0.00 4.11 6.09 -1.30 -0.19 117.51 128.17 1fiu h ILE 277 Ca -0.48 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 1fiu h ILE 277 Cb 1.20 0.46 0.00 0.00 0.47 0.00 0.00 36.82 38.94 1fiu h ILE 277 CO 0.65 0.05 0.00 -1.54 -3.07 0.00 0.00 178.15 174.24 1fiu n SER 278 N -4.43 0.62 0.14 2.19 3.41 -1.26 -1.80 113.62 112.49 1fiu n SER 278 Ca 0.14 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.50 1fiu n SER 278 Cb 0.61 -0.80 0.05 0.00 -0.26 0.00 0.00 64.21 63.81 1fiu n SER 278 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1fiu h ASP 279 N 0.00 0.00 -0.15 4.04 3.32 -1.41 -3.39 116.42 118.83 1fiu h ASP 279 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1fiu h ASP 279 Cb 0.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1fiu h ASP 279 CO 0.00 0.30 0.02 0.25 -1.72 0.00 0.00 179.24 178.10 1fiu h LEU 280 N 0.00 -0.00 -0.47 1.55 5.85 -1.41 -1.61 115.31 119.21 1fiu h LEU 280 Ca -0.02 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1fiu h LEU 280 Cb 1.25 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 1fiu h LEU 280 CO 0.04 0.02 0.14 -0.65 -0.34 0.00 0.00 178.44 177.65 1fiu h PRO 281 N 0.08 0.29 -0.32 5.25 0.11 -1.76 -0.50 132.00 135.16 1fiu h PRO 281 Ca 0.07 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 1fiu h PRO 281 Cb 0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1fiu h PRO 281 CO -0.09 0.19 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.68 1fiu h LEU 282 N 0.30 0.54 -1.52 2.35 3.38 -1.79 -2.45 115.31 116.11 1fiu h LEU 282 Ca 0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1fiu h LEU 282 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1fiu h LEU 282 CO -0.26 0.70 -0.19 0.44 0.09 0.00 0.00 178.44 179.22 1fiu h ASP 283 N 0.51 0.00 0.29 -0.43 3.32 -0.30 -0.93 116.42 118.88 1fiu h ASP 283 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1fiu h ASP 283 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1fiu h ASP 283 CO 0.03 0.19 0.00 0.18 -1.72 0.00 0.00 179.24 177.92 1fiu n LEU 284 N -3.56 0.00 -0.98 1.55 4.77 -0.29 -3.40 117.00 115.09 1fiu n LEU 284 Ca -0.01 0.16 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1fiu n LEU 284 Cb 0.34 -0.16 0.17 0.00 -2.33 0.00 0.00 43.42 41.44 1fiu n LEU 284 CO 0.32 -0.01 0.65 0.00 -1.33 0.00 0.00 177.39 177.01 1fiu n ALA 285 N -1.16 2.40 0.54 -1.18 0.00 -0.35 -5.07 120.51 115.69 1fiu n ALA 285 Ca 0.17 -0.93 0.04 0.00 0.00 0.00 0.00 53.44 52.73 1fiu n ALA 285 Cb 0.17 -0.74 0.25 0.00 0.00 0.00 0.00 19.45 19.13 1fiu n ALA 285 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83