#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fiu s GLN 2 N 0.00 4.33 0.63 2.12 -1.52 -1.26 -5.02 119.66 118.94 1fiu s GLN 2 Ca 0.00 0.97 -0.17 0.00 -1.95 0.00 0.00 55.36 54.20 1fiu s GLN 2 Cb 0.00 -2.89 -0.05 0.00 -0.22 0.00 0.00 33.01 29.85 1fiu s GLN 2 CO 0.00 0.38 0.75 -2.30 -0.25 0.00 0.00 175.29 173.87 1fiu n PRO 3 N 0.75 0.61 0.23 2.91 -0.02 -1.26 -4.77 135.00 133.44 1fiu n PRO 3 Ca -0.02 0.25 0.06 0.00 -2.02 0.00 0.00 63.50 61.77 1fiu n PRO 3 Cb 0.51 -1.97 0.53 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.15 0.00 -0.49 2.45 3.38 -1.99 -1.59 115.31 117.22 1fiu h LEU 4 Ca -0.47 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.33 1fiu h LEU 4 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1fiu h LEU 4 CO 0.48 0.19 -0.73 -0.26 0.09 0.00 0.00 178.44 178.20 1fiu h PHE 5 N 0.00 0.27 -0.36 1.13 0.05 -1.99 0.13 116.94 116.17 1fiu h PHE 5 Ca -0.00 -0.13 -0.12 0.00 3.82 0.00 0.00 57.97 61.55 1fiu h PHE 5 Cb 0.34 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.24 1fiu h PHE 5 CO 0.00 0.86 -0.25 1.15 -0.18 0.00 0.00 178.31 179.89 1fiu h THR 6 N 0.13 1.27 -0.41 -1.55 2.02 -1.74 -0.63 112.91 112.00 1fiu h THR 6 Ca -0.02 -1.36 -0.11 0.00 0.77 0.00 0.00 66.41 65.69 1fiu h THR 6 Cb 1.29 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1fiu h THR 6 CO 0.11 0.45 -0.20 1.56 0.37 0.00 0.00 175.52 177.81 1fiu h GLN 7 N 0.64 0.81 -0.65 6.66 4.20 -0.99 -2.20 115.11 123.57 1fiu h GLN 7 Ca 0.09 -0.32 -0.08 0.00 0.06 0.00 0.00 58.65 58.40 1fiu h GLN 7 Cb 0.75 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1fiu h GLN 7 CO 0.06 0.94 0.09 0.93 -0.67 0.00 0.00 178.83 180.18 1fiu h GLU 8 N 0.71 1.09 -0.89 1.46 4.39 -0.38 -1.88 114.58 119.07 1fiu h GLU 8 Ca 0.10 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1fiu h GLU 8 Cb 0.72 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1fiu h GLU 8 CO 0.06 1.01 0.48 -0.09 -1.16 0.00 0.00 179.01 179.30 1fiu h ARG 9 N 1.00 1.25 -0.53 2.33 2.43 -0.94 -1.10 114.38 118.82 1fiu h ARG 9 Ca 0.20 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 1fiu h ARG 9 Cb 0.46 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1fiu h ARG 9 CO 0.02 0.92 -0.13 0.00 -1.51 0.00 0.00 179.97 179.26 1fiu h ARG 10 N 1.25 1.03 -0.77 0.20 3.08 -1.11 -2.09 114.38 115.97 1fiu h ARG 10 Ca 0.31 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1fiu h ARG 10 Cb 0.04 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1fiu h ARG 10 CO -0.05 1.09 0.41 0.82 -1.07 0.00 0.00 179.97 181.16 1fiu h ILE 11 N 0.90 1.24 0.17 2.04 2.04 -1.01 0.11 117.51 123.00 1fiu h ILE 11 Ca 0.13 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1fiu h ILE 11 Cb 0.71 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1fiu h ILE 11 CO 0.05 0.27 -0.29 0.15 0.00 0.00 0.00 178.15 178.33 1fiu h PHE 12 N 1.07 -0.77 -0.64 1.37 3.57 -0.98 -0.92 116.94 119.64 1fiu h PHE 12 Ca 0.27 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.80 1fiu h PHE 12 Cb 0.06 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1fiu h PHE 12 CO 0.00 -0.40 0.42 0.45 -2.23 0.00 0.00 178.31 176.55 1fiu h HIS 13 N -0.53 0.79 -0.42 0.41 3.86 -1.14 -2.50 115.15 115.61 1fiu h HIS 13 Ca 0.02 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1fiu h HIS 13 Cb 0.54 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1fiu h HIS 13 CO -0.24 0.48 0.28 0.87 0.86 0.00 0.00 177.93 180.18 1fiu h LYS 14 N 0.84 0.51 -0.29 2.45 1.57 -0.31 -1.52 116.57 119.82 1fiu h LYS 14 Ca 0.24 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1fiu h LYS 14 Cb -0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1fiu h LYS 14 CO -0.07 0.34 -0.35 0.87 -0.57 0.00 0.00 179.45 179.67 1fiu h LYS 15 N 0.52 0.65 -0.62 3.15 1.57 -0.74 0.72 116.57 121.83 1fiu h LYS 15 Ca 0.16 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 1fiu h LYS 15 Cb 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1fiu h LYS 15 CO -0.04 0.90 0.06 -0.07 -0.57 0.00 0.00 179.45 179.73 1fiu h LEU 16 N 0.54 1.00 -0.05 2.94 3.38 -1.07 -2.55 115.31 119.50 1fiu h LEU 16 Ca 0.06 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1fiu h LEU 16 Cb 0.86 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1fiu h LEU 16 CO 0.07 1.02 -0.24 -0.07 0.09 0.00 0.00 178.44 179.31 1fiu h LEU 17 N 0.96 0.29 -1.97 1.67 3.38 -1.15 0.27 115.31 118.77 1fiu h LEU 17 Ca 0.18 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1fiu h LEU 17 Cb 0.47 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1fiu h LEU 17 CO 0.02 0.91 -0.07 0.44 0.09 0.00 0.00 178.44 179.83 1fiu h ASP 18 N -0.30 0.00 -0.24 -0.43 3.32 -0.85 -0.84 116.42 117.08 1fiu h ASP 18 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1fiu h ASP 18 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1fiu h ASP 18 CO 0.05 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 1fiu n GLY 19 N -1.27 0.59 2.53 2.75 0.00 -0.96 -4.90 105.19 103.93 1fiu n GLY 19 Ca -0.03 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 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 0.55 -5.35 -0.01 1.61 5.03 -0.32 -4.86 115.26 111.90 1fiu n ASN 20 Ca 0.16 0.40 -0.13 0.00 0.87 0.00 0.00 54.58 55.89 1fiu n ASN 20 Cb 0.37 -4.52 -0.09 0.00 -1.02 0.00 0.00 39.78 34.52 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 1.35 -3.62 2.41 1.08 -1.21 -3.38 117.51 114.15 1fiu h ILE 21 Ca -0.40 -1.07 -0.69 0.00 -0.39 0.00 0.00 64.86 62.31 1fiu h ILE 21 Cb 1.27 2.04 -0.24 0.00 -3.07 0.00 0.00 36.82 36.82 1fiu h ILE 21 CO 0.57 0.28 -0.54 -0.22 -0.69 0.00 0.00 178.15 177.56 1fiu s LEU 22 N -9.30 4.42 0.00 1.44 2.96 -0.62 -4.78 118.68 112.80 1fiu s LEU 22 Ca -0.15 -0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 52.92 1fiu s LEU 22 Cb 0.02 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.73 1fiu s LEU 22 CO 0.68 -0.30 0.37 0.00 -1.32 0.00 0.00 176.35 175.79 1fiu n ALA 23 N 4.98 -0.62 -2.93 5.97 0.00 -1.26 -4.36 120.51 122.29 1fiu n ALA 23 Ca -0.13 -0.84 -0.24 0.00 0.00 0.00 0.00 53.44 52.23 1fiu n ALA 23 Cb 0.47 0.68 -0.16 0.00 0.00 0.00 0.00 19.45 20.44 1fiu n ALA 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fiu s THR 24 N -2.57 1.18 0.83 0.00 2.01 -1.01 -0.42 115.64 115.65 1fiu s THR 24 Ca 0.13 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.47 1fiu s THR 24 Cb -0.02 -1.02 0.15 0.00 0.01 0.00 0.00 72.50 71.63 1fiu s THR 24 CO 0.10 0.35 1.14 0.54 -0.69 0.00 0.00 174.62 176.06 1fiu s ASN 25 N 0.07 3.85 0.00 3.53 2.20 -0.32 -1.15 114.94 123.13 1fiu s ASN 25 Ca -0.03 0.02 0.14 0.00 -0.94 0.00 0.00 52.86 52.05 1fiu s ASN 25 Cb -0.10 -0.28 0.84 0.00 -2.00 0.00 0.00 41.25 39.70 1fiu s ASN 25 CO 0.01 -2.22 1.28 -0.46 -2.94 0.00 0.00 177.10 172.77 1fiu n ASN 26 N -3.26 0.00 -0.80 3.54 0.23 -1.26 -1.30 115.26 112.40 1fiu n ASN 26 Ca 0.14 -0.72 0.09 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 -0.88 1.87 -0.58 -3.83 3.00 -1.26 -4.97 116.66 110.01 1fiu n ARG 27 Ca 0.10 -1.81 0.00 0.00 -0.01 0.00 0.00 57.85 56.14 1fiu n ARG 27 Cb 0.05 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.14 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 1.03 0.75 3.65 -0.13 0.00 -0.42 -5.04 105.19 105.04 1fiu n GLY 28 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.54 4.95 0.31 1.61 1.01 -1.26 -4.81 120.40 119.67 1fiu s VAL 29 Ca 0.00 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.07 1fiu s VAL 29 Cb 0.00 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1fiu s VAL 29 CO 0.00 0.04 1.05 -0.69 0.00 0.00 0.00 175.10 175.50 1fiu s VAL 30 N 2.22 3.70 -1.20 2.92 1.01 -1.26 -1.17 120.40 126.62 1fiu s VAL 30 Ca 0.32 1.56 0.03 0.00 0.00 0.00 0.00 61.98 63.88 1fiu s VAL 30 Cb -0.16 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1fiu s VAL 30 CO 0.10 0.26 0.99 -1.54 0.00 0.00 0.00 175.10 174.91 1fiu n SER 31 N 0.80 0.00 -0.69 3.32 3.41 0.43 -1.02 113.62 119.87 1fiu n SER 31 Ca 0.01 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 59.07 1fiu n SER 31 Cb 0.47 -0.40 0.14 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 -1.40 2.80 -4.94 4.04 6.94 -1.26 -4.95 115.26 116.48 1fiu n ASN 32 Ca 0.01 -1.86 -0.24 0.00 -0.02 0.00 0.00 54.58 52.46 1fiu n ASN 32 Cb 0.02 -0.19 0.02 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 -1.03 3.56 -0.48 -2.53 0.00 -0.19 -4.35 121.76 116.74 1fiu s ALA 33 Ca 0.24 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1fiu s ALA 33 Cb 0.13 -2.34 0.12 0.00 0.00 0.00 0.00 23.12 21.04 1fiu s ALA 33 CO 0.18 -0.61 0.37 0.34 0.00 0.00 0.00 175.76 176.05 1fiu s ASP 34 N -4.28 5.79 0.63 0.00 -1.08 -1.26 -4.95 116.67 111.52 1fiu s ASP 34 Ca 0.52 -1.88 0.29 0.00 -0.52 0.00 0.00 52.55 50.96 1fiu s ASP 34 Cb -0.10 -2.05 1.58 0.00 -1.46 0.00 0.00 42.92 40.89 1fiu s ASP 34 CO 0.41 -0.72 1.93 1.23 0.52 0.00 0.00 175.17 178.54 1fiu h GLY 35 N 8.53 0.00 1.39 2.66 0.00 -1.96 -0.61 103.07 113.08 1fiu h GLY 35 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1fiu h GLY 35 CO 0.89 0.00 -0.14 -1.14 0.00 0.00 0.00 176.54 176.15 1fiu n SER 36 N -3.27 0.26 -4.24 0.19 3.41 -1.26 -4.72 113.62 103.98 1fiu n SER 36 Ca 0.02 -0.07 -0.37 0.00 -0.26 0.00 0.00 58.87 58.19 1fiu n SER 36 Cb 0.48 -0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 1fiu n SER 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1fiu s ASN 37 N -2.79 5.15 0.24 4.04 3.84 -0.24 -5.00 114.94 120.18 1fiu s ASN 37 Ca 0.20 -1.16 -0.05 0.00 0.21 0.00 0.00 52.86 52.05 1fiu s ASN 37 Cb 0.19 -1.81 0.38 0.00 -0.55 0.00 0.00 41.25 39.45 1fiu s ASN 37 CO 0.54 -0.30 1.79 0.74 -2.79 0.00 0.00 177.10 177.09 1fiu h THR 38 N 6.26 0.88 -0.48 -5.21 2.02 -1.84 0.23 112.91 114.76 1fiu h THR 38 Ca -0.23 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 1fiu h THR 38 Cb 1.08 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1fiu h THR 38 CO 0.58 0.13 -0.06 0.03 0.37 0.00 0.00 175.52 176.56 1fiu h ARG 39 N 0.70 0.89 -0.04 6.66 3.08 -1.94 -1.01 114.38 122.72 1fiu h ARG 39 Ca 0.38 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1fiu h ARG 39 Cb 0.38 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1fiu h ARG 39 CO -0.26 0.96 0.02 1.03 -1.07 0.00 0.00 179.97 180.65 1fiu h SER 40 N 0.75 0.06 -0.42 7.04 0.87 -1.63 -0.70 113.55 119.51 1fiu h SER 40 Ca 0.13 -0.15 0.08 0.00 -1.23 0.00 0.00 61.79 60.62 1fiu h SER 40 Cb 0.60 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 1fiu h SER 40 CO 0.04 0.19 -0.05 0.15 -0.53 0.00 0.00 176.83 176.63 1fiu h PHE 41 N -0.08 -0.11 -0.30 2.24 3.57 -0.46 -0.40 116.94 121.40 1fiu h PHE 41 Ca 0.01 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1fiu h PHE 41 Cb 0.15 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1fiu h PHE 41 CO -0.02 -0.13 -0.18 -0.91 -2.23 0.00 0.00 178.31 174.83 1fiu h ASN 42 N 0.06 0.68 -0.26 0.41 2.35 -1.06 -1.58 115.58 116.19 1fiu h ASN 42 Ca 0.21 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1fiu h ASN 42 Cb 0.31 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1fiu h ASN 42 CO -0.39 0.96 0.12 0.40 -1.65 0.00 0.00 177.43 176.87 1fiu h ILE 43 N 0.40 1.15 -0.95 2.81 2.04 -0.90 -0.10 117.51 121.98 1fiu h ILE 43 Ca 0.06 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1fiu h ILE 43 Cb 0.72 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1fiu h ILE 43 CO 0.05 0.15 0.62 0.00 0.00 0.00 0.00 178.15 178.98 1fiu h ALA 44 N 0.97 1.31 -0.39 1.87 0.00 -1.04 -0.68 119.26 121.30 1fiu h ALA 44 Ca 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1fiu h ALA 44 Cb 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1fiu h ALA 44 CO -0.01 0.63 0.02 -0.22 0.00 0.00 0.00 179.25 179.67 1fiu h LYS 45 N 1.29 0.68 -0.42 0.00 3.64 -0.95 -1.19 116.57 119.62 1fiu h LYS 45 Ca 0.35 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1fiu h LYS 45 Cb -0.14 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1fiu h LYS 45 CO -0.07 0.76 0.20 0.78 -2.27 0.00 0.00 179.45 178.85 1fiu h GLY 46 N 0.51 0.57 0.95 5.01 0.00 -0.46 -1.54 103.07 108.12 1fiu h GLY 46 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1fiu h GLY 46 CO 0.02 0.09 0.17 -2.22 0.00 0.00 0.00 176.54 174.59 1fiu h ILE 47 N 0.40 1.21 -0.90 2.60 2.04 -1.04 -2.64 117.51 119.18 1fiu h ILE 47 Ca 0.19 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.44 1fiu h ILE 47 Cb 0.11 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1fiu h ILE 47 CO -0.14 0.24 0.59 0.00 0.00 0.00 0.00 178.15 178.83 1fiu h ALA 48 N 1.01 1.48 -0.54 1.87 0.00 -0.81 -1.48 119.26 120.80 1fiu h ALA 48 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1fiu h ALA 48 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1fiu h ALA 48 CO -0.01 0.41 0.11 -0.44 0.00 0.00 0.00 179.25 179.32 1fiu h ASP 49 N 1.06 0.83 0.50 0.00 3.32 -1.10 -0.44 116.42 120.59 1fiu h ASP 49 Ca 0.37 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1fiu h ASP 49 Cb 0.12 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1fiu h ASP 49 CO -0.13 0.86 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.11 1fiu h LEU 50 N 0.77 0.00 -1.48 1.55 3.38 -0.94 0.20 115.31 118.78 1fiu h LEU 50 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1fiu h LEU 50 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1fiu h LEU 50 CO 0.01 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.79 1fiu n LEU 51 N -3.37 2.24 -3.03 1.67 4.77 -0.76 -4.94 117.00 113.59 1fiu n LEU 51 Ca -0.01 -0.89 -0.21 0.00 -0.03 0.00 0.00 56.01 54.87 1fiu n LEU 51 Cb 0.24 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1fiu n LEU 51 CO 0.28 0.44 0.11 1.41 -1.33 0.00 0.00 177.39 178.30 1fiu n HIS 52 N 0.71 -2.20 -2.38 -1.77 8.25 0.70 -4.97 115.22 113.56 1fiu n HIS 52 Ca 0.17 0.70 -0.41 0.00 -0.26 0.00 0.00 57.72 57.91 1fiu n HIS 52 Cb 0.44 -4.43 -0.03 0.00 1.12 0.00 0.00 29.99 27.09 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 -3.01 7.07 0.00 0.41 0.15 -0.23 -4.90 113.70 113.20 1fiu s SER 53 Ca 0.40 2.18 0.00 0.00 0.70 0.00 0.00 55.95 59.23 1fiu s SER 53 Cb -0.18 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1fiu s SER 53 CO 0.50 -0.41 0.03 -0.62 1.20 0.00 0.00 173.24 173.94 1fiu n GLU 54 N 2.95 2.34 -2.41 5.44 1.02 -1.26 -4.75 120.64 123.98 1fiu n GLU 54 Ca 0.06 -0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 1fiu n GLU 54 Cb 0.45 -0.26 -0.03 0.00 -0.02 0.00 0.00 31.44 31.57 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 -0.34 3.77 -0.23 2.62 2.01 -1.26 -5.00 115.64 117.21 1fiu s THR 55 Ca 0.00 1.40 -0.06 0.00 0.31 0.00 0.00 61.69 63.34 1fiu s THR 55 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1fiu s THR 55 CO 0.00 0.18 0.04 -0.69 -0.69 0.00 0.00 174.62 173.46 1fiu s VAL 56 N 0.34 4.15 0.11 3.82 1.01 -1.26 -2.40 120.40 126.18 1fiu s VAL 56 Ca 0.55 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 1fiu s VAL 56 Cb -0.31 -2.92 0.08 0.00 0.00 0.00 0.00 36.38 33.23 1fiu s VAL 56 CO 0.34 0.38 0.74 -0.94 0.00 0.00 0.00 175.10 175.61 1fiu s SER 57 N 1.35 -0.44 0.55 3.32 1.04 -0.30 -4.96 113.70 114.27 1fiu s SER 57 Ca 0.05 -0.08 -0.19 0.00 0.48 0.00 0.00 55.95 56.21 1fiu s SER 57 Cb -0.15 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1fiu s SER 57 CO 0.02 -0.87 1.10 -1.61 0.98 0.00 0.00 173.24 172.87 1fiu s GLU 58 N -3.50 3.35 0.38 4.02 0.41 -1.26 -3.18 118.70 118.92 1fiu s GLU 58 Ca 0.04 1.50 -0.27 0.00 -0.41 0.00 0.00 54.97 55.83 1fiu s GLU 58 Cb -0.01 -2.02 -0.11 0.00 -1.78 0.00 0.00 34.13 30.21 1fiu s GLU 58 CO -0.09 -0.83 1.35 -2.13 -0.49 0.00 0.00 175.26 173.07 1fiu n ARG 59 N -1.46 2.24 -2.04 1.61 0.63 -1.26 -4.97 116.66 111.41 1fiu n ARG 59 Ca 0.11 0.79 -0.32 0.00 -0.92 0.00 0.00 57.85 57.51 1fiu n ARG 59 Cb 0.52 -2.45 -0.00 0.00 0.45 0.00 0.00 32.46 30.97 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 -1.56 3.39 0.56 6.15 1.43 -1.26 -4.99 118.68 122.39 1fiu s LEU 60 Ca 0.56 1.54 -0.21 0.00 -1.03 0.00 0.00 54.13 55.00 1fiu s LEU 60 Cb -0.52 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.16 1fiu s LEU 60 CO 0.61 -0.87 1.19 -2.65 0.23 0.00 0.00 176.35 174.86 1fiu n PRO 61 N -2.31 1.34 0.16 1.29 -0.02 -1.26 -4.74 135.00 129.46 1fiu n PRO 61 Ca 0.07 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 1fiu n PRO 61 Cb 0.54 -2.39 0.58 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.04 0.17 1.36 -1.23 0.00 -1.99 -0.94 103.07 101.49 1fiu h GLY 62 Ca -0.49 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 1fiu h GLY 62 CO 0.55 0.06 -0.05 1.46 0.00 0.00 0.00 176.54 178.56 1fiu h GLN 63 N 0.16 0.77 0.01 4.80 7.50 -1.99 -0.84 115.11 125.52 1fiu h GLN 63 Ca 0.07 -0.22 -0.00 0.00 0.50 0.00 0.00 58.65 59.00 1fiu h GLN 63 Cb 0.10 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.55 1fiu h GLN 63 CO -0.01 0.81 -0.01 1.15 -1.50 0.00 0.00 178.83 179.27 1fiu h THR 64 N 0.71 1.34 -0.57 -0.54 2.02 -1.54 -2.45 112.91 111.88 1fiu h THR 64 Ca 0.13 -1.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 1fiu h THR 64 Cb 0.50 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1fiu h THR 64 CO 0.03 0.28 0.11 0.77 0.37 0.00 0.00 175.52 177.08 1fiu h SER 65 N -0.50 0.85 0.06 4.18 4.64 -1.37 -0.65 113.55 120.78 1fiu h SER 65 Ca -0.00 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1fiu h SER 65 Cb 0.48 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1fiu h SER 65 CO 0.00 0.85 -0.03 1.23 -0.87 0.00 0.00 176.83 178.02 1fiu h GLY 66 N 1.01 -0.09 1.00 -0.77 0.00 -1.16 0.79 103.07 103.84 1fiu h GLY 66 Ca 0.18 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1fiu h GLY 66 CO 0.01 -0.03 0.07 -0.57 0.00 0.00 0.00 176.54 176.01 1fiu h ASN 67 N -0.08 0.82 -0.54 0.19 -0.73 -1.33 -2.58 115.58 111.32 1fiu h ASN 67 Ca -0.01 -0.27 -0.06 0.00 1.87 0.00 0.00 56.30 57.84 1fiu h ASN 67 Cb 0.07 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 1fiu h ASN 67 CO 0.01 0.88 0.11 0.00 -0.37 0.00 0.00 177.43 178.06 1fiu h ALA 68 N 0.97 0.71 -0.88 1.57 0.00 -0.98 -1.39 119.26 119.27 1fiu h ALA 68 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fiu h ALA 68 Cb 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1fiu h ALA 68 CO 0.01 0.43 0.55 0.35 0.00 0.00 0.00 179.25 180.59 1fiu h PHE 69 N 0.77 1.14 -0.01 0.00 3.57 -0.77 -0.09 116.94 121.55 1fiu h PHE 69 Ca 0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1fiu h PHE 69 Cb 0.37 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1fiu h PHE 69 CO 0.03 0.74 0.00 0.93 -2.23 0.00 0.00 178.31 177.79 1fiu h GLU 70 N 1.20 0.01 -0.33 1.11 5.08 -1.06 -0.77 114.58 119.82 1fiu h GLU 70 Ca 0.32 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1fiu h GLU 70 Cb -0.08 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1fiu h GLU 70 CO -0.06 0.01 0.18 0.00 -1.00 0.00 0.00 179.01 178.14 1fiu h ALA 71 N 1.00 0.42 -0.51 3.43 0.00 -0.76 -0.69 119.26 122.15 1fiu h ALA 71 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1fiu h ALA 71 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1fiu h ALA 71 CO -0.00 -0.18 -0.02 0.82 0.00 0.00 0.00 179.25 179.87 1fiu h ILE 72 N 0.38 1.25 -0.53 0.00 2.04 -0.93 -1.33 117.51 118.40 1fiu h ILE 72 Ca 0.13 -1.08 -0.11 0.00 1.00 0.00 0.00 64.86 64.80 1fiu h ILE 72 Cb 0.02 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1fiu h ILE 72 CO -0.07 0.38 -0.10 0.00 0.00 0.00 0.00 178.15 178.36 1fiu h SER 74 N 0.87 0.40 -0.85 0.00 0.87 -0.80 -1.35 113.55 112.70 1fiu h SER 74 Ca 0.14 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1fiu h SER 74 Cb 0.65 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 1fiu h SER 74 CO 0.05 0.37 0.50 -0.33 -0.53 0.00 0.00 176.83 176.88 1fiu h GLU 75 N 0.40 1.17 -0.13 2.24 5.08 -1.13 -0.87 114.58 121.34 1fiu h GLU 75 Ca 0.11 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1fiu h GLU 75 Cb 0.06 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1fiu h GLU 75 CO -0.02 0.83 0.01 0.35 -1.00 0.00 0.00 179.01 179.18 1fiu h PHE 76 N 1.18 0.24 -0.59 4.33 3.57 -1.13 -1.60 116.94 122.94 1fiu h PHE 76 Ca 0.30 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1fiu h PHE 76 Cb -0.03 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1fiu h PHE 76 CO 0.01 0.43 0.32 0.28 -2.23 0.00 0.00 178.31 177.11 1fiu h VAL 77 N -0.02 1.19 -0.21 1.41 2.07 -1.00 -1.18 116.25 118.52 1fiu h VAL 77 Ca 0.04 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1fiu h VAL 77 Cb 0.32 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1fiu h VAL 77 CO 0.00 0.21 0.11 -0.61 0.02 0.00 0.00 177.57 177.30 1fiu h GLN 78 N 0.80 0.29 -0.20 1.57 -0.00 -1.10 -0.04 115.11 116.44 1fiu h GLN 78 Ca 0.21 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.80 1fiu h GLN 78 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1fiu h GLN 78 CO -0.03 0.30 0.05 1.03 0.00 0.00 0.00 178.83 180.17 1fiu h SER 79 N 0.22 0.29 -0.26 -0.69 0.87 -1.10 -2.55 113.55 110.34 1fiu h SER 79 Ca 0.07 -0.23 -0.13 0.00 -1.23 0.00 0.00 61.79 60.27 1fiu h SER 79 Cb 0.09 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1fiu h SER 79 CO -0.01 0.45 -0.36 0.00 -0.53 0.00 0.00 176.83 176.37 1fiu h ALA 80 N 0.86 0.39 -0.08 6.23 0.00 -1.19 -3.24 119.26 122.23 1fiu h ALA 80 Ca 0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1fiu h ALA 80 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1fiu h ALA 80 CO 0.00 0.46 -0.30 0.35 0.00 0.00 0.00 179.25 179.76 1fiu h PHE 81 N 0.42 0.16 -0.12 0.00 3.57 -1.04 -2.48 116.94 117.45 1fiu h PHE 81 Ca 0.03 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1fiu h PHE 81 Cb 0.95 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1fiu h PHE 81 CO 0.08 0.44 0.10 1.49 -2.23 0.00 0.00 178.31 178.18 1fiu h GLU 82 N 0.13 0.00 0.00 1.11 4.81 -1.47 -0.37 114.58 118.78 1fiu h GLU 82 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1fiu h GLU 82 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1fiu h GLU 82 CO 0.04 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.95 1fiu n LYS 83 N -4.30 0.91 -0.53 1.92 5.02 -0.93 -3.54 118.16 116.70 1fiu n LYS 83 Ca -0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1fiu n LYS 83 Cb 0.22 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.01 4.27 -0.07 -0.35 4.77 -0.15 -4.67 117.00 119.78 1fiu n LEU 84 Ca 0.22 -2.93 0.24 0.00 -0.03 0.00 0.00 56.01 53.51 1fiu n LEU 84 Cb 0.11 -0.56 0.71 0.00 -2.33 0.00 0.00 43.42 41.35 1fiu n LEU 84 CO 0.17 0.67 1.22 1.56 -1.33 0.00 0.00 177.39 179.68 1fiu h GLN 85 N 2.37 0.00 0.00 3.23 1.08 -1.71 0.71 115.11 120.79 1fiu h GLN 85 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1fiu h GLN 85 Cb 1.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 1fiu h GLN 85 CO 0.27 0.00 0.00 -2.39 -0.95 0.00 0.00 178.83 175.76 1fiu n HIS 86 N -4.32 0.73 -0.05 2.96 1.44 -1.26 -1.45 115.22 113.27 1fiu n HIS 86 Ca 0.13 0.23 -0.01 0.00 -2.01 0.00 0.00 57.72 56.06 1fiu n HIS 86 Cb 0.76 -0.87 -0.12 0.00 0.12 0.00 0.00 29.99 29.88 1fiu n HIS 86 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1fiu n ILE 87 N -2.11 0.60 -2.97 0.61 2.08 -0.06 -4.81 119.36 112.69 1fiu n ILE 87 Ca 0.05 -0.52 -0.14 0.00 0.56 0.00 0.00 62.75 62.70 1fiu n ILE 87 Cb 0.37 -0.31 -0.02 0.00 -0.75 0.00 0.00 39.64 38.94 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 -2.34 0.60 -1.71 0.38 3.00 0.04 -4.96 116.66 111.68 1fiu n ARG 88 Ca -0.15 -2.42 -0.35 0.00 -0.00 0.00 0.00 57.85 54.92 1fiu n ARG 88 Cb 0.75 -1.44 0.06 0.00 0.00 0.00 0.00 32.46 31.83 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 0.16 2.57 0.00 -0.14 0.04 -0.53 -4.46 135.00 132.63 1fiu s PRO 89 Ca 0.32 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1fiu s PRO 89 Cb 0.13 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1fiu s PRO 89 CO -0.16 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.79 1fiu n GLY 90 N 0.30 1.46 3.28 0.56 0.00 -1.26 -5.03 105.19 104.50 1fiu n GLY 90 Ca 0.13 -1.31 -0.45 0.00 0.00 0.00 0.00 46.02 44.40 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 6.30 0.01 1.61 2.15 -1.26 -5.05 116.67 120.43 1fiu s ASP 91 Ca 0.00 -2.46 -0.05 0.00 0.43 0.00 0.00 52.55 50.47 1fiu s ASP 91 Cb 0.00 -2.13 -0.04 0.00 -0.30 0.00 0.00 42.92 40.44 1fiu s ASP 91 CO 0.00 -0.61 0.24 0.26 -0.17 0.00 0.00 175.17 174.89 1fiu s TRP 92 N 0.54 3.56 -0.02 -5.34 0.52 -1.26 -0.91 118.94 116.03 1fiu s TRP 92 Ca 0.14 0.49 0.04 0.00 0.02 0.00 0.00 56.10 56.79 1fiu s TRP 92 Cb -0.17 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.21 1fiu s TRP 92 CO -0.05 0.62 -0.15 1.21 0.02 0.00 0.00 176.95 178.60 1fiu s ASN 93 N -1.82 1.77 -0.12 2.95 3.04 -0.21 -4.98 114.94 115.57 1fiu s ASN 93 Ca 0.28 -0.28 0.02 0.00 0.04 0.00 0.00 52.86 52.92 1fiu s ASN 93 Cb -0.13 -0.31 0.01 0.00 -1.54 0.00 0.00 41.25 39.29 1fiu s ASN 93 CO 0.17 0.16 -0.16 -0.69 -3.04 0.00 0.00 177.10 173.54 1fiu s VAL 94 N -0.18 1.63 -0.08 -5.21 1.01 -1.26 -0.64 120.40 115.66 1fiu s VAL 94 Ca 0.02 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1fiu s VAL 94 Cb -0.07 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1fiu s VAL 94 CO 0.00 0.47 0.33 -1.59 0.00 0.00 0.00 175.10 174.31 1fiu s LYS 95 N 1.01 0.52 -0.17 2.72 -2.85 -0.38 -5.00 119.74 115.59 1fiu s LYS 95 Ca -0.05 0.18 -0.29 0.00 -1.00 0.00 0.00 55.97 54.80 1fiu s LYS 95 Cb -0.15 0.24 -0.00 0.00 -2.06 0.00 0.00 37.83 35.86 1fiu s LYS 95 CO -0.03 -0.11 1.10 -1.14 0.10 0.00 0.00 175.35 175.27 1fiu s GLN 96 N -0.49 4.29 -0.21 1.78 0.74 -1.26 -1.18 119.66 123.33 1fiu s GLN 96 Ca -0.06 1.47 -0.16 0.00 0.05 0.00 0.00 55.36 56.65 1fiu s GLN 96 Cb -0.04 -3.64 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 1fiu s GLN 96 CO 0.02 -0.57 0.41 0.08 -0.55 0.00 0.00 175.29 174.68 1fiu s VAL 97 N 2.95 5.18 0.43 1.34 1.01 -0.20 -4.98 120.40 126.14 1fiu s VAL 97 Ca 0.48 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 62.94 1fiu s VAL 97 Cb -0.18 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1fiu s VAL 97 CO 0.12 0.22 1.15 -0.83 0.00 0.00 0.00 175.10 175.76 1fiu s GLY 98 N 1.17 2.80 0.00 4.51 0.00 -1.26 -4.71 107.32 109.82 1fiu s GLY 98 Ca 0.19 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.82 1fiu s GLY 98 CO 0.08 1.38 0.94 -1.14 0.00 0.00 0.00 173.10 174.36 1fiu n SER 99 N -0.25 0.00 -1.27 1.64 3.41 -1.26 -0.26 113.62 115.63 1fiu n SER 99 Ca 0.06 0.44 -0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1fiu n SER 99 Cb 0.48 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1fiu n SER 99 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1fiu n ARG 100 N -1.44 1.01 -2.86 4.33 1.85 -1.26 -4.49 116.66 113.80 1fiu n ARG 100 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 57.85 56.82 1fiu n ARG 100 Cb 0.05 -1.01 0.01 0.00 -1.05 0.00 0.00 32.46 30.46 1fiu n ARG 100 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1fiu s ASN 101 N 1.50 -1.10 0.35 2.89 3.84 0.65 -5.12 114.94 117.96 1fiu s ASN 101 Ca 0.00 -1.02 -0.21 0.00 0.21 0.00 0.00 52.86 51.84 1fiu s ASN 101 Cb 0.00 1.43 -0.10 0.00 -0.55 0.00 0.00 41.25 42.03 1fiu s ASN 101 CO 0.00 -0.07 0.88 -0.13 -2.79 0.00 0.00 177.10 174.99 1fiu s ARG 102 N 1.28 4.28 -0.42 0.43 0.52 -1.26 -3.58 118.95 120.20 1fiu s ARG 102 Ca 0.23 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 56.49 1fiu s ARG 102 Cb 0.02 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1fiu s ARG 102 CO -0.08 0.14 0.00 1.28 0.02 0.00 0.00 175.30 176.66 1fiu n LEU 103 N -0.10 0.23 0.10 2.53 4.77 -0.67 -4.80 117.00 119.06 1fiu n LEU 103 Ca 0.04 0.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.13 1fiu n LEU 103 Cb 0.52 -1.97 0.36 0.00 -2.33 0.00 0.00 43.42 40.00 1fiu n LEU 103 CO 0.41 -0.72 0.87 -0.08 -1.33 0.00 0.00 177.39 176.54 1fiu h GLU 104 N 0.22 0.28 -0.18 3.23 4.57 -1.82 -1.69 114.58 119.19 1fiu h GLU 104 Ca -0.08 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 1fiu h GLU 104 Cb 0.77 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1fiu h GLU 104 CO 0.12 0.43 0.12 0.97 -1.18 0.00 0.00 179.01 179.47 1fiu h ILE 105 N 0.27 0.94 0.00 2.32 2.10 -1.87 0.04 117.51 121.32 1fiu h ILE 105 Ca 0.05 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.97 1fiu h ILE 105 Cb 0.41 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 1fiu h ILE 105 CO 0.02 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.10 1fiu n ALA 106 N -2.56 2.38 0.59 0.18 0.00 -0.63 -2.11 120.51 118.35 1fiu n ALA 106 Ca 0.01 -0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.43 1fiu n ALA 106 Cb 0.22 -1.42 0.44 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.13 0.23 -3.98 0.00 1.74 0.00 -4.05 116.66 109.48 1fiu n ARG 107 Ca 0.16 0.26 -0.32 0.00 -0.77 0.00 0.00 57.85 57.18 1fiu n ARG 107 Cb 0.14 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 29.72 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 -3.15 3.43 0.21 -1.55 1.51 -0.90 -4.29 117.35 112.61 1fiu s TYR 108 Ca 0.09 0.26 -0.14 0.00 -1.01 0.00 0.00 57.07 56.28 1fiu s TYR 108 Cb 0.12 -1.76 0.25 0.00 -0.11 0.00 0.00 41.96 40.45 1fiu s TYR 108 CO 0.54 0.59 1.62 0.37 -1.11 0.00 0.00 175.55 177.56 1fiu h GLN 109 N 3.67 -0.02 0.00 -0.62 4.15 -1.23 -1.20 115.11 119.87 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 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1fiu h GLN 109 CO 0.68 -0.01 0.00 1.96 -1.93 0.00 0.00 178.83 179.53 1fiu h GLN 110 N -0.02 0.00 0.00 1.69 7.50 -1.85 -3.07 115.11 119.36 1fiu h GLN 110 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 1fiu h GLN 110 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.03 1fiu h GLN 110 CO -0.69 0.00 -0.10 0.66 -1.50 0.00 0.00 178.83 177.20 1fiu n TYR 111 N -2.46 0.00 -0.02 2.96 4.02 -0.69 -1.77 117.16 119.21 1fiu n TYR 111 Ca 0.00 -0.47 0.09 0.00 -0.01 0.00 0.00 57.90 57.51 1fiu n TYR 111 Cb 0.17 -0.07 0.50 0.00 -0.02 0.00 0.00 39.34 39.91 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 1.94 0.00 -0.72 0.00 -1.15 -0.87 119.26 118.45 1fiu h ALA 112 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fiu h ALA 112 Cb 0.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1fiu h ALA 112 CO 0.00 -0.02 0.00 -2.39 0.00 0.00 0.00 179.25 176.84 1fiu n HIS 113 N -4.47 0.65 0.27 0.00 1.44 -1.26 -2.31 115.22 109.54 1fiu n HIS 113 Ca 0.06 0.30 0.14 0.00 -2.01 0.00 0.00 57.72 56.21 1fiu n HIS 113 Cb 0.25 -0.98 0.76 0.00 0.12 0.00 0.00 29.99 30.14 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 -0.41 2.39 3.38 -1.51 -1.94 115.31 117.22 1fiu h LEU 114 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1fiu h LEU 114 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1fiu h LEU 114 CO 0.00 0.10 -0.16 0.74 0.09 0.00 0.00 178.44 179.21 1fiu h THR 115 N 0.00 1.28 -0.18 0.22 2.02 -1.67 -0.80 112.91 113.78 1fiu h THR 115 Ca -0.00 -1.29 -0.09 0.00 0.77 0.00 0.00 66.41 65.80 1fiu h THR 115 Cb 0.32 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1fiu h THR 115 CO 0.01 0.43 -0.28 0.00 0.37 0.00 0.00 175.52 176.06 1fiu h ALA 116 N 0.83 1.20 -0.42 6.16 0.00 -1.56 -0.38 119.26 125.09 1fiu h ALA 116 Ca 0.10 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1fiu h ALA 116 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1fiu h ALA 116 CO 0.05 0.52 -0.27 -0.07 0.00 0.00 0.00 179.25 179.49 1fiu h LEU 117 N 0.30 0.95 -0.57 0.00 3.38 -1.12 -1.27 115.31 116.98 1fiu h LEU 117 Ca 0.04 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1fiu h LEU 117 Cb 0.65 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1fiu h LEU 117 CO 0.05 1.17 0.07 0.00 0.09 0.00 0.00 178.44 179.82 1fiu h ALA 118 N 0.81 0.76 -0.34 1.53 0.00 -0.73 -1.29 119.26 119.99 1fiu h ALA 118 Ca 0.08 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1fiu h ALA 118 Cb 0.85 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1fiu h ALA 118 CO 0.07 0.53 -0.29 0.87 0.00 0.00 0.00 179.25 180.43 1fiu h LYS 119 N 0.85 0.73 -0.82 0.00 1.57 -0.97 -1.14 116.57 116.80 1fiu h LYS 119 Ca 0.17 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1fiu h LYS 119 Cb 0.45 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1fiu h LYS 119 CO 0.02 0.93 0.38 0.00 -0.57 0.00 0.00 179.45 180.21 1fiu h ALA 120 N 1.05 1.13 -0.13 3.86 0.00 -1.04 -2.36 119.26 121.77 1fiu h ALA 120 Ca 0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1fiu h ALA 120 Cb 0.81 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1fiu h ALA 120 CO 0.07 0.65 -0.46 0.00 0.00 0.00 0.00 179.25 179.51 1fiu h ALA 121 N 1.25 0.97 0.00 0.00 0.00 -0.89 0.42 119.26 121.01 1fiu h ALA 121 Ca 0.28 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1fiu h ALA 121 Cb 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fiu h ALA 121 CO -0.03 0.64 -0.07 1.49 0.00 0.00 0.00 179.25 181.28 1fiu h GLU 122 N 0.26 0.00 0.00 0.00 4.81 -0.68 -2.67 114.58 116.31 1fiu h GLU 122 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1fiu h GLU 122 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1fiu h GLU 122 CO 0.08 0.07 -0.64 -0.85 -0.73 0.00 0.00 179.01 176.94 1fiu n GLU 123 N -3.37 3.11 -3.04 1.92 0.28 -1.10 -4.62 120.64 113.82 1fiu n GLU 123 Ca -0.01 -0.01 -0.27 0.00 -0.16 0.00 0.00 57.16 56.70 1fiu n GLU 123 Cb 0.23 -1.02 -0.05 0.00 1.43 0.00 0.00 31.44 32.02 1fiu n GLU 123 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1fiu n ASN 124 N -1.34 4.39 -4.56 -1.84 5.03 0.12 -5.06 115.26 112.01 1fiu n ASN 124 Ca 0.01 -3.63 -0.44 0.00 0.87 0.00 0.00 54.58 51.38 1fiu n ASN 124 Cb 0.18 -0.60 -0.01 0.00 -1.02 0.00 0.00 39.78 38.33 1fiu n ASN 124 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1fiu n PRO 125 N 0.00 1.14 0.00 3.52 -0.02 -1.16 -0.83 135.00 137.66 1fiu n PRO 125 Ca 0.31 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1fiu n PRO 125 Cb 0.39 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1fiu n PRO 125 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1fiu n GLU 126 N 0.69 0.00 0.04 -0.52 2.13 -1.26 -4.83 120.64 116.88 1fiu n GLU 126 Ca 0.11 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.05 1fiu n GLU 126 Cb 0.33 0.00 0.59 0.00 0.27 0.00 0.00 31.44 32.62 1fiu n GLU 126 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1fiu h LEU 127 N 0.00 0.17 -1.90 4.31 3.38 -1.30 0.25 115.31 120.22 1fiu h LEU 127 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1fiu h LEU 127 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1fiu h LEU 127 CO 0.00 0.11 -0.13 0.00 0.09 0.00 0.00 178.44 178.51 1fiu h ALA 128 N 1.79 1.41 -0.73 1.53 0.00 -1.85 0.15 119.26 121.56 1fiu h ALA 128 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1fiu h ALA 128 Cb 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1fiu h ALA 128 CO -0.03 0.16 0.19 0.00 0.00 0.00 0.00 179.25 179.57 1fiu h ALA 129 N 1.87 0.96 0.12 0.00 0.00 -0.80 -0.48 119.26 120.94 1fiu h ALA 129 Ca -0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 54.91 54.36 1fiu h ALA 129 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1fiu h ALA 129 CO 0.02 0.67 -1.60 0.00 0.00 0.00 0.00 179.25 178.34 1fiu h ALA 130 N 1.10 0.24 -0.04 0.00 0.00 -1.39 -3.37 119.26 115.81 1fiu h ALA 130 Ca 0.23 -1.18 -0.12 0.00 0.00 0.00 0.00 54.91 53.84 1fiu h ALA 130 Cb 0.36 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1fiu h ALA 130 CO -0.00 0.96 -0.53 -0.07 0.00 0.00 0.00 179.25 179.62 1fiu h LEU 131 N -0.20 0.13 0.00 0.00 3.38 -0.78 -3.49 115.31 114.34 1fiu h LEU 131 Ca -0.34 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1fiu h LEU 131 Cb 1.85 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1fiu h LEU 131 CO 0.06 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.84 1fiu n GLY 132 N 0.04 -1.79 0.00 0.83 0.00 -0.19 -4.85 105.19 99.22 1fiu n GLY 132 Ca -0.02 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1fiu n GLY 132 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fiu n SER 133 N 0.17 0.00 0.12 1.61 2.88 -1.26 -4.80 113.62 112.34 1fiu n SER 133 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1fiu n SER 133 Cb 0.00 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 63.94 1fiu n SER 133 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1fiu n ASP 134 N -0.21 0.59 0.00 -3.46 8.00 -1.26 -2.10 116.55 118.11 1fiu n ASP 134 Ca 0.00 0.66 0.01 0.00 0.71 0.00 0.00 54.79 56.17 1fiu n ASP 134 Cb 0.00 -0.78 0.07 0.00 -0.02 0.00 0.00 41.12 40.39 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 -2.17 0.00 1.20 1.24 0.18 -1.26 0.13 117.16 116.47 1fiu n TYR 135 Ca 0.02 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.92 1fiu n TYR 135 Cb 0.20 -0.35 0.26 0.00 -0.38 0.00 0.00 39.34 39.07 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 -1.35 0.00 -2.19 -3.48 -2.24 -0.89 -4.94 114.28 99.19 1fiu n THR 136 Ca 0.01 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 1fiu n THR 136 Cb 0.03 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 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 -2.05 3.37 -0.09 2.28 1.01 0.34 -1.66 121.20 124.39 1fiu s ILE 137 Ca 0.31 0.99 -0.03 0.00 0.00 0.00 0.00 60.65 61.91 1fiu s ILE 137 Cb 0.20 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1fiu s ILE 137 CO 0.34 0.08 0.05 -0.89 0.00 0.00 0.00 174.94 174.52 1fiu s THR 138 N 1.07 4.75 1.00 2.92 2.01 -1.26 -4.90 115.64 121.23 1fiu s THR 138 Ca 0.64 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.42 1fiu s THR 138 Cb -0.36 -3.04 0.16 0.00 0.01 0.00 0.00 72.50 69.28 1fiu s THR 138 CO 0.30 0.59 0.95 -2.65 -0.69 0.00 0.00 174.62 173.12 1fiu n PRO 139 N 2.01 -0.99 -0.11 4.92 -0.02 -1.26 -4.95 135.00 134.60 1fiu n PRO 139 Ca -0.19 -0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 60.95 1fiu n PRO 139 Cb 0.54 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1fiu n PRO 139 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1fiu h ASP 140 N -2.06 0.55 -3.99 2.55 3.32 -1.84 -3.39 116.42 111.56 1fiu h ASP 140 Ca -0.48 -0.28 -0.35 0.00 0.02 0.00 0.00 57.03 55.93 1fiu h ASP 140 Cb 1.29 -0.15 -0.28 0.00 0.22 0.00 0.00 39.33 40.41 1fiu h ASP 140 CO 0.42 0.70 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.24 1fiu s ILE 141 N -5.09 0.54 0.09 0.35 1.01 -0.63 -1.03 121.20 116.46 1fiu s ILE 141 Ca -0.13 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1fiu s ILE 141 Cb 0.09 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 1fiu s ILE 141 CO 0.77 0.13 -0.20 0.27 0.00 0.00 0.00 174.94 175.91 1fiu s ILE 142 N -0.20 1.59 -0.11 2.92 -4.36 -0.32 -0.76 121.20 119.96 1fiu s ILE 142 Ca 0.02 -1.49 0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1fiu s ILE 142 Cb -0.03 -1.46 -0.01 0.00 1.25 0.00 0.00 42.46 42.22 1fiu s ILE 142 CO -0.00 -0.09 -0.19 -0.69 0.24 0.00 0.00 174.94 174.21 1fiu s VAL 143 N -1.17 2.54 0.19 8.37 1.01 -0.73 -1.24 120.40 129.36 1fiu s VAL 143 Ca 0.05 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.23 1fiu s VAL 143 Cb -0.10 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1fiu s VAL 143 CO 0.04 0.55 -0.11 0.42 0.00 0.00 0.00 175.10 176.00 1fiu s THR 144 N 0.27 1.41 -0.12 3.92 -4.23 0.19 -0.07 115.64 117.02 1fiu s THR 144 Ca -0.13 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.28 1fiu s THR 144 Cb -0.17 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.67 1fiu s THR 144 CO 0.07 -0.61 -0.18 -0.60 -0.54 0.00 0.00 174.62 172.75 1fiu s ARG 145 N -3.72 2.56 0.64 3.99 3.52 -0.06 -1.04 118.95 124.84 1fiu s ARG 145 Ca 0.21 -0.69 -0.13 0.00 -0.13 0.00 0.00 55.73 54.98 1fiu s ARG 145 Cb 0.02 -2.10 -0.02 0.00 -1.56 0.00 0.00 34.95 31.29 1fiu s ARG 145 CO 0.05 -0.01 1.05 -0.80 -0.81 0.00 0.00 175.30 174.78 1fiu s ASN 146 N 0.83 5.64 0.87 -2.12 0.02 -0.08 -1.15 114.94 118.95 1fiu s ASN 146 Ca -0.09 1.70 -0.11 0.00 -1.02 0.00 0.00 52.86 53.34 1fiu s ASN 146 Cb -0.16 -2.51 0.12 0.00 0.02 0.00 0.00 41.25 38.72 1fiu s ASN 146 CO -0.00 -1.26 1.09 -0.76 0.02 0.00 0.00 177.10 176.19 1fiu s LEU 147 N -4.98 2.38 -0.06 0.60 1.43 -1.26 -4.63 118.68 112.16 1fiu s LEU 147 Ca 0.61 1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 55.22 1fiu s LEU 147 Cb -0.15 -4.00 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 1fiu s LEU 147 CO 0.45 -2.53 0.02 -0.63 0.23 0.00 0.00 176.35 173.90 1fiu s ILE 148 N -2.94 4.44 0.55 -0.59 1.01 0.35 -4.86 121.20 119.17 1fiu s ILE 148 Ca 0.63 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 1fiu s ILE 148 Cb -0.18 -2.92 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 1fiu s ILE 148 CO 0.57 0.53 1.04 0.00 0.00 0.00 0.00 174.94 177.08 1fiu s ALA 149 N -0.97 2.83 0.53 9.38 0.00 -1.26 -3.04 121.76 129.22 1fiu s ALA 149 Ca 0.16 0.43 0.19 0.00 0.00 0.00 0.00 51.96 52.74 1fiu s ALA 149 Cb -0.11 -3.22 1.36 0.00 0.00 0.00 0.00 23.12 21.14 1fiu s ALA 149 CO 0.05 -0.56 2.14 -0.44 0.00 0.00 0.00 175.76 176.96 1fiu h ASP 150 N 0.89 0.00 -0.93 0.00 3.32 -1.96 -1.05 116.42 116.69 1fiu h ASP 150 Ca -0.48 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.67 1fiu h ASP 150 Cb 1.21 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.70 1fiu h ASP 150 CO 0.59 0.00 0.60 0.00 -1.72 0.00 0.00 179.24 178.71 1fiu h ALA 151 N 1.96 1.58 0.18 3.45 0.00 -1.93 0.21 119.26 124.70 1fiu h ALA 151 Ca 0.03 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1fiu h ALA 151 Cb 0.14 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.74 1fiu h ALA 151 CO -0.00 0.23 -1.35 1.49 0.00 0.00 0.00 179.25 179.62 1fiu h GLU 152 N 0.95 0.53 -0.90 0.00 4.57 -1.57 -2.39 114.58 115.78 1fiu h GLU 152 Ca 0.43 -0.82 0.02 0.00 -1.18 0.00 0.00 59.36 57.81 1fiu h GLU 152 Cb 0.39 0.29 -0.05 0.00 -0.16 0.00 0.00 28.75 29.23 1fiu h GLU 152 CO -0.19 1.38 0.59 0.82 -1.18 0.00 0.00 179.01 180.43 1fiu h ILE 153 N 0.19 1.21 -0.60 2.32 2.04 -1.06 -1.98 117.51 119.63 1fiu h ILE 153 Ca -0.21 -0.41 -0.24 0.00 1.00 0.00 0.00 64.86 65.00 1fiu h ILE 153 Cb 2.04 -0.09 -0.14 0.00 -0.74 0.00 0.00 36.82 37.88 1fiu h ILE 153 CO 0.25 0.22 0.31 0.59 0.00 0.00 0.00 178.15 179.52 1fiu n ASN 154 N -4.47 3.80 -0.37 1.72 3.02 0.67 -4.63 115.26 115.01 1fiu n ASN 154 Ca 0.10 -2.97 0.05 0.00 -0.03 0.00 0.00 54.58 51.74 1fiu n ASN 154 Cb 0.03 -0.70 0.22 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 1.41 1.04 0.00 3.52 2.43 -0.81 -3.29 114.38 118.68 1fiu h ARG 155 Ca 0.30 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1fiu h ARG 155 Cb 2.06 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 31.35 1fiu h ARG 155 CO 0.63 0.69 -1.58 0.09 -1.51 0.00 0.00 179.97 178.29 1fiu n ASN 156 N -4.57 2.72 -3.95 -3.80 3.02 -1.26 -5.05 115.26 102.37 1fiu n ASN 156 Ca 0.18 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.65 1fiu n ASN 156 Cb 0.29 0.95 -0.08 0.00 -0.61 0.00 0.00 39.78 40.32 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 -2.36 0.73 -0.97 3.52 2.02 -1.24 -5.08 118.70 115.32 1fiu s GLU 157 Ca -0.04 -1.04 -0.21 0.00 0.02 0.00 0.00 54.97 53.70 1fiu s GLU 157 Cb 0.04 0.28 0.09 0.00 0.10 0.00 0.00 34.13 34.64 1fiu s GLU 157 CO 0.39 -0.20 1.28 0.12 0.02 0.00 0.00 175.26 176.87 1fiu s PHE 158 N -3.76 2.83 -0.09 1.61 5.36 -1.26 -4.32 117.98 118.34 1fiu s PHE 158 Ca 0.05 -1.11 -0.09 0.00 -0.96 0.00 0.00 56.93 54.82 1fiu s PHE 158 Cb 0.05 -4.48 -0.28 0.00 -0.34 0.00 0.00 43.02 37.97 1fiu s PHE 158 CO -0.10 -1.71 0.49 -0.07 -1.46 0.00 0.00 175.22 172.37 1fiu h LEU 159 N 11.56 0.49 -8.19 6.12 3.38 -1.89 -3.49 115.31 123.30 1fiu h LEU 159 Ca 0.17 -0.94 -0.17 0.00 0.09 0.00 0.00 57.88 57.03 1fiu h LEU 159 Cb 1.02 -0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.43 1fiu h LEU 159 CO 1.26 1.82 -0.69 0.68 0.09 0.00 0.00 178.44 181.60 1fiu s VAL 160 N -2.56 0.30 0.00 1.22 -7.23 -1.26 -5.06 120.40 105.81 1fiu s VAL 160 Ca -0.20 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1fiu s VAL 160 Cb 0.06 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1fiu s VAL 160 CO 0.80 -0.76 0.00 -0.90 -0.31 0.00 0.00 175.10 173.93 1fiu n ASP 161 N 0.67 0.15 0.00 4.85 5.68 -1.26 -4.98 116.55 121.66 1fiu n ASP 161 Ca -0.18 -0.70 0.12 0.00 -0.50 0.00 0.00 54.79 53.54 1fiu n ASP 161 Cb 0.58 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.27 1fiu n ASP 161 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1fiu n GLU 162 N 0.00 0.65 -0.16 0.11 0.00 -1.26 -3.42 120.64 116.55 1fiu n GLU 162 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 57.16 57.23 1fiu n GLU 162 Cb 0.00 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.07 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 -1.09 2.73 -3.93 -1.84 3.02 -1.26 -4.88 115.26 108.01 1fiu n ASN 163 Ca 0.17 -2.41 -0.10 0.00 -0.03 0.00 0.00 54.58 52.21 1fiu n ASN 163 Cb 0.12 -0.26 -0.11 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.71 0.09 -1.46 2.41 1.10 -1.22 -4.88 121.20 115.52 1fiu s ILE 164 Ca 0.21 -0.74 -0.03 0.00 -0.51 0.00 0.00 60.65 59.59 1fiu s ILE 164 Cb 0.16 -0.31 0.02 0.00 0.15 0.00 0.00 42.46 42.48 1fiu s ILE 164 CO 0.07 -0.41 0.41 0.00 -2.11 0.00 0.00 174.94 172.91 1fiu n ALA 165 N 1.69 -1.91 1.12 1.50 0.00 -1.26 -4.55 120.51 117.09 1fiu n ALA 165 Ca -0.22 -0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.09 1fiu n ALA 165 Cb 0.56 -1.66 0.63 0.00 0.00 0.00 0.00 19.45 18.97 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 -4.42 0.16 -0.10 0.00 -2.24 -1.26 -3.11 114.28 103.32 1fiu n THR 166 Ca -0.26 0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.57 1fiu n THR 166 Cb 0.66 -0.59 0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.37 0.05 -1.68 4.78 4.02 -1.26 -4.79 117.16 116.90 1fiu n TYR 167 Ca 0.10 -0.54 -0.45 0.00 -0.01 0.00 0.00 57.90 57.00 1fiu n TYR 167 Cb 0.25 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 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 -0.48 1.73 -0.08 -0.72 0.00 -1.18 -4.87 120.51 114.91 1fiu n ALA 168 Ca 0.02 0.43 0.06 0.00 0.00 0.00 0.00 53.44 53.96 1fiu n ALA 168 Cb 0.30 -2.39 0.41 0.00 0.00 0.00 0.00 19.45 17.76 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 6.00 0.53 1.03 0.00 0.02 -1.96 -2.49 113.55 116.68 1fiu h SER 169 Ca -0.45 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1fiu h SER 169 Cb 1.24 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1fiu h SER 169 CO 0.90 0.36 0.00 0.18 -1.14 0.00 0.00 176.83 177.13 1fiu n LEU 170 N -4.47 0.35 -4.67 5.07 4.77 -1.26 -4.78 117.00 112.01 1fiu n LEU 170 Ca 0.07 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.17 1fiu n LEU 170 Cb 0.17 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1fiu n LEU 170 CO 0.35 -0.18 0.75 -0.13 -1.33 0.00 0.00 177.39 176.85 1fiu s ARG 171 N -3.08 4.29 -1.08 3.23 0.52 -0.94 -0.49 118.95 121.41 1fiu s ARG 171 Ca 0.10 1.19 -0.23 0.00 -0.52 0.00 0.00 55.73 56.28 1fiu s ARG 171 Cb 0.14 -3.60 -0.12 0.00 0.52 0.00 0.00 34.95 31.89 1fiu s ARG 171 CO 0.49 -0.45 1.94 0.00 0.02 0.00 0.00 175.30 177.29 1fiu n ALA 172 N 5.66 1.92 -0.92 2.13 0.00 -1.17 -4.20 120.51 123.93 1fiu n ALA 172 Ca 0.08 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.52 1fiu n ALA 172 Cb 0.48 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.42 1fiu n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fiu n GLY 173 N 5.57 -0.46 2.54 0.00 0.00 -1.26 -4.97 105.19 106.61 1fiu n GLY 173 Ca 0.45 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.12 0.00 0.00 1.61 5.03 -1.26 -4.05 115.26 115.46 1fiu n ASN 174 Ca 0.00 -1.02 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1fiu n ASN 174 Cb 0.00 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 38.72 1fiu n ASN 174 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1fiu n GLY 175 N 2.58 0.00 3.43 7.41 0.00 -1.26 -4.77 105.19 112.58 1fiu n GLY 175 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1fiu n GLY 175 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fiu n ASN 176 N 0.00 -1.03 -4.94 1.61 2.85 -1.26 -4.99 115.26 107.50 1fiu n ASN 176 Ca 0.00 0.98 -0.21 0.00 -0.11 0.00 0.00 54.58 55.25 1fiu n ASN 176 Cb 0.00 -1.06 0.00 0.00 1.24 0.00 0.00 39.78 39.97 1fiu n ASN 176 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1fiu s MET 177 N -1.32 2.50 0.96 1.20 -1.94 -1.26 -4.80 119.30 114.63 1fiu s MET 177 Ca 0.62 -1.58 -0.11 0.00 -1.71 0.00 0.00 55.69 52.92 1fiu s MET 177 Cb -0.70 -2.47 0.17 0.00 2.01 0.00 0.00 34.83 33.83 1fiu s MET 177 CO 0.59 -0.42 1.11 -2.14 -0.01 0.00 0.00 175.02 174.14 1fiu s PRO 178 N -4.31 0.71 0.01 2.03 0.02 -1.26 -4.25 135.00 127.94 1fiu s PRO 178 Ca 0.50 1.28 -0.09 0.00 0.02 0.00 0.00 61.00 62.71 1fiu s PRO 178 Cb -0.05 -1.71 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1fiu s PRO 178 CO 0.30 -2.75 0.32 -0.51 -0.33 0.00 0.00 177.00 174.03 1fiu s LEU 179 N -6.64 4.39 -0.25 -5.54 1.43 -0.30 -0.96 118.68 110.80 1fiu s LEU 179 Ca 0.66 0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 54.21 1fiu s LEU 179 Cb -0.22 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.35 1fiu s LEU 179 CO 0.59 0.27 0.88 -0.22 0.23 0.00 0.00 176.35 178.10 1fiu s LEU 180 N -1.53 4.07 -0.16 1.79 2.96 -1.26 -0.88 118.68 123.67 1fiu s LEU 180 Ca 0.26 1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 55.13 1fiu s LEU 180 Cb -0.14 -3.26 -0.23 0.00 0.50 0.00 0.00 46.19 43.06 1fiu s LEU 180 CO 0.14 -0.58 0.25 1.57 -1.32 0.00 0.00 176.35 176.41 1fiu n HIS 181 N 6.14 1.05 -3.74 5.38 -0.00 0.90 -4.50 115.22 120.45 1fiu n HIS 181 Ca 0.07 0.27 -0.14 0.00 -0.00 0.00 0.00 57.72 57.93 1fiu n HIS 181 Cb 0.47 -1.13 -0.09 0.00 -0.00 0.00 0.00 29.99 29.24 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 -2.51 -0.91 -0.23 1.57 0.00 -0.72 -0.59 121.76 118.37 1fiu s ALA 182 Ca -0.26 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 1fiu s ALA 182 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1fiu s ALA 182 CO 0.70 -0.24 -0.02 0.45 0.00 0.00 0.00 175.76 176.65 1fiu s SER 183 N -0.82 4.45 -0.27 0.00 0.15 0.51 -1.77 113.70 115.95 1fiu s SER 183 Ca -0.09 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.15 1fiu s SER 183 Cb -0.04 -1.76 0.06 0.00 -1.71 0.00 0.00 66.02 62.57 1fiu s SER 183 CO 0.03 -0.04 -0.08 -0.63 1.20 0.00 0.00 173.24 173.72 1fiu s ILE 184 N 1.48 2.34 -0.02 6.45 1.01 0.06 -1.57 121.20 130.97 1fiu s ILE 184 Ca 0.05 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 58.91 1fiu s ILE 184 Cb -0.15 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 1fiu s ILE 184 CO -0.02 -0.07 0.49 -0.55 0.00 0.00 0.00 174.94 174.79 1fiu s SER 185 N 1.13 6.86 0.02 3.58 0.15 -0.27 -1.60 113.70 123.56 1fiu s SER 185 Ca -0.07 1.02 0.07 0.00 0.70 0.00 0.00 55.95 57.66 1fiu s SER 185 Cb -0.20 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 1fiu s SER 185 CO -0.04 0.19 -0.19 0.00 1.20 0.00 0.00 173.24 174.40 1fiu s LYS 187 N -1.17 0.17 0.11 0.00 1.02 -0.58 -4.96 119.74 114.34 1fiu s LYS 187 Ca 0.13 0.03 -0.21 0.00 0.02 0.00 0.00 55.97 55.94 1fiu s LYS 187 Cb -0.10 -1.31 -0.08 0.00 -0.52 0.00 0.00 37.83 35.82 1fiu s LYS 187 CO 0.03 -0.73 1.75 2.35 -0.92 0.00 0.00 175.35 177.83 1fiu h TRP 188 N 8.34 0.12 -3.82 3.18 2.91 -1.91 -2.64 115.95 122.13 1fiu h TRP 188 Ca -0.16 0.01 -0.36 0.00 1.13 0.00 0.00 58.89 59.50 1fiu h TRP 188 Cb 1.13 -0.03 -0.14 0.00 -0.51 0.00 0.00 29.16 29.61 1fiu h TRP 188 CO 0.17 0.06 -0.60 0.95 -1.03 0.00 0.00 178.44 177.99 1fiu s THR 189 N -6.18 0.48 0.05 2.65 -4.23 -1.26 -2.58 115.64 104.57 1fiu s THR 189 Ca -0.13 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.42 1fiu s THR 189 Cb 0.08 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1fiu s THR 189 CO 0.68 0.00 -0.13 -0.63 -0.54 0.00 0.00 174.62 174.00 1fiu s ILE 190 N -3.73 1.02 -0.00 2.99 1.01 -1.26 -4.89 121.20 116.34 1fiu s ILE 190 Ca 0.37 -1.11 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1fiu s ILE 190 Cb 0.07 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 1fiu s ILE 190 CO 0.15 -0.13 -0.13 -0.13 0.00 0.00 0.00 174.94 174.70 1fiu s ARG 191 N -1.41 0.98 0.62 2.79 1.81 -1.26 -4.99 118.95 117.49 1fiu s ARG 191 Ca -0.01 -0.50 0.33 0.00 -1.72 0.00 0.00 55.73 53.83 1fiu s ARG 191 Cb -0.09 -0.95 1.89 0.00 -0.45 0.00 0.00 34.95 35.36 1fiu s ARG 191 CO 0.02 0.26 2.20 0.66 -0.68 0.00 0.00 175.30 177.75 1fiu h SER 192 N 5.66 0.00 0.01 0.23 4.64 -1.97 -1.60 113.55 120.53 1fiu h SER 192 Ca -0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 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 0.48 0.00 -0.01 -2.24 -0.87 0.00 0.00 176.83 174.20 1fiu h ASP 193 N 0.00 -0.01 0.70 4.97 -0.00 -1.98 -3.34 116.42 116.76 1fiu h ASP 193 Ca 0.03 -0.80 0.00 0.00 -0.00 0.00 0.00 57.03 56.27 1fiu h ASP 193 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.57 1fiu h ASP 193 CO -0.00 0.82 0.00 -2.11 -0.00 0.00 0.00 179.24 177.95 1fiu n ARG 194 N -4.69 0.11 0.26 4.15 1.85 -1.04 -2.72 116.66 114.59 1fiu n ARG 194 Ca -0.09 0.08 0.15 0.00 -1.00 0.00 0.00 57.85 56.99 1fiu n ARG 194 Cb 0.39 -1.50 0.52 0.00 -1.05 0.00 0.00 32.46 30.82 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 2.93 1.00 0.00 2.89 0.00 -1.42 -3.29 119.26 121.37 1fiu h ALA 195 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fiu h ALA 195 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1fiu h ALA 195 CO 0.00 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1fiu n GLN 196 N -3.11 0.19 0.29 0.00 1.13 -1.10 -2.68 117.38 112.11 1fiu n GLN 196 Ca 0.02 0.38 0.19 0.00 -1.94 0.00 0.00 57.00 55.64 1fiu n GLN 196 Cb 0.38 -1.84 0.87 0.00 0.11 0.00 0.00 30.24 29.76 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 -1.11 115.58 112.54 1fiu h ASN 197 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.28 1fiu h ASN 197 Cb 0.42 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.65 1fiu h ASN 197 CO 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 177.43 177.32 1fiu h ALA 198 N 2.01 1.13 -0.11 4.14 0.00 -1.79 -1.32 119.26 123.33 1fiu h ALA 198 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1fiu h ALA 198 Cb 0.31 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1fiu h ALA 198 CO 0.00 0.54 -0.59 0.00 0.00 0.00 0.00 179.25 179.20 1fiu h ARG 199 N 0.49 0.60 -0.44 0.00 3.08 -1.41 -1.54 114.38 115.17 1fiu h ARG 199 Ca 0.08 -0.50 -0.10 0.00 0.07 0.00 0.00 59.98 59.54 1fiu h ARG 199 Cb 0.59 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1fiu h ARG 199 CO 0.04 1.12 -0.12 0.66 -1.07 0.00 0.00 179.97 180.60 1fiu h SER 200 N 0.24 0.79 -0.42 7.04 4.64 -1.41 -0.20 113.55 124.23 1fiu h SER 200 Ca -0.04 -0.24 -0.14 0.00 -0.47 0.00 0.00 61.79 60.90 1fiu h SER 200 Cb 1.23 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1fiu h SER 200 CO 0.12 0.92 -0.29 -0.33 -0.87 0.00 0.00 176.83 176.38 1fiu h GLU 201 N 0.72 0.94 -0.73 4.77 5.08 -1.26 -1.87 114.58 122.23 1fiu h GLU 201 Ca 0.12 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1fiu h GLU 201 Cb 0.60 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1fiu h GLU 201 CO 0.04 1.11 0.41 0.78 -1.00 0.00 0.00 179.01 180.35 1fiu h GLY 202 N 0.77 1.08 1.20 -3.84 0.00 -0.96 -2.27 103.07 99.05 1fiu h GLY 202 Ca 0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1fiu h GLY 202 CO 0.08 0.46 0.18 -2.00 0.00 0.00 0.00 176.54 175.26 1fiu h LEU 203 N 1.00 0.94 -1.15 3.11 5.85 -0.88 -1.19 115.31 123.00 1fiu h LEU 203 Ca 0.26 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1fiu h LEU 203 Cb 0.01 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1fiu h LEU 203 CO -0.04 0.89 0.13 0.78 -0.34 0.00 0.00 178.44 179.86 1fiu h ASN 204 N 0.96 0.68 -0.23 1.25 2.35 -0.94 0.11 115.58 119.76 1fiu h ASN 204 Ca 0.21 -0.11 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1fiu h ASN 204 Cb 0.30 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1fiu h ASN 204 CO -0.00 0.66 -0.34 -0.07 -1.65 0.00 0.00 177.43 176.03 1fiu h LEU 205 N 0.72 0.78 -0.11 1.61 3.38 -0.85 -2.50 115.31 118.33 1fiu h LEU 205 Ca 0.16 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1fiu h LEU 205 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1fiu h LEU 205 CO -0.01 1.05 -0.03 0.58 0.09 0.00 0.00 178.44 180.13 1fiu h VAL 206 N 0.63 1.29 0.00 1.22 2.07 -0.67 -3.20 116.25 117.58 1fiu h VAL 206 Ca 0.06 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 1fiu h VAL 206 Cb 0.88 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1fiu h VAL 206 CO 0.08 0.27 -0.38 0.03 0.02 0.00 0.00 177.57 177.60 1fiu h ARG 207 N -0.11 0.00 -0.35 1.57 3.08 -0.76 -3.27 114.38 114.53 1fiu h ARG 207 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1fiu h ARG 207 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1fiu h ARG 207 CO 0.01 0.38 0.00 0.09 -1.07 0.00 0.00 179.97 179.38 1fiu n ASN 208 N -3.92 3.00 -4.81 7.04 3.02 -0.95 -5.03 115.26 113.62 1fiu n ASN 208 Ca -0.02 -1.90 -0.34 0.00 -0.03 0.00 0.00 54.58 52.30 1fiu n ASN 208 Cb 0.43 -0.23 -0.05 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 -1.07 3.96 -0.21 3.52 1.70 -1.21 -4.75 118.95 120.89 1fiu s ARG 209 Ca 0.28 1.26 0.01 0.00 -0.47 0.00 0.00 55.73 56.81 1fiu s ARG 209 Cb 0.15 -2.13 0.05 0.00 -0.57 0.00 0.00 34.95 32.46 1fiu s ARG 209 CO 0.21 -0.28 -0.08 0.15 -1.08 0.00 0.00 175.30 174.21 1fiu s LYS 210 N -3.24 1.87 0.00 3.89 1.02 -0.73 -5.05 119.74 117.51 1fiu s LYS 210 Ca 0.65 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1fiu s LYS 210 Cb -0.13 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 1fiu s LYS 210 CO 0.18 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 1fiu n GLY 211 N 4.68 -1.01 3.74 -3.33 0.00 -1.26 -4.11 105.19 103.90 1fiu n GLY 211 Ca -0.14 -2.19 -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 -0.25 4.47 0.31 1.61 3.52 -1.26 -4.97 118.95 122.38 1fiu s ARG 212 Ca 0.00 1.95 -0.29 0.00 -0.13 0.00 0.00 55.73 57.26 1fiu s ARG 212 Cb 0.00 -3.20 -0.11 0.00 -1.56 0.00 0.00 34.95 30.08 1fiu s ARG 212 CO 0.00 -0.10 1.45 -1.17 -0.81 0.00 0.00 175.30 174.67 1fiu s LEU 213 N -0.54 4.37 1.00 -0.88 2.96 -1.26 -4.99 118.68 119.34 1fiu s LEU 213 Ca 0.52 2.83 -0.12 0.00 -0.22 0.00 0.00 54.13 57.14 1fiu s LEU 213 Cb -0.34 -3.64 0.19 0.00 0.50 0.00 0.00 46.19 42.89 1fiu s LEU 213 CO 0.39 -0.75 1.09 -2.84 -1.32 0.00 0.00 176.35 172.92 1fiu s PRO 214 N -1.19 0.44 0.45 0.98 0.02 -1.26 -4.97 135.00 129.47 1fiu s PRO 214 Ca 0.56 0.58 -0.25 0.00 0.02 0.00 0.00 61.00 61.91 1fiu s PRO 214 Cb -0.44 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 1fiu s PRO 214 CO 0.52 -2.74 1.36 -1.01 -0.33 0.00 0.00 177.00 174.81 1fiu s HIS 215 N -2.93 2.56 -0.24 6.54 3.76 0.25 -4.86 115.29 120.37 1fiu s HIS 215 Ca 0.65 1.34 -0.02 0.00 -0.15 0.00 0.00 55.06 56.88 1fiu s HIS 215 Cb -0.19 -3.80 0.07 0.00 1.11 0.00 0.00 32.58 29.78 1fiu s HIS 215 CO 0.58 -2.60 0.05 0.42 -0.85 0.00 0.00 174.74 172.34 1fiu s ILE 216 N -1.26 0.70 0.19 0.60 1.01 -1.26 -0.36 121.20 120.83 1fiu s ILE 216 Ca 0.62 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1fiu s ILE 216 Cb -0.41 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 1fiu s ILE 216 CO 0.51 -0.36 0.03 0.68 0.00 0.00 0.00 174.94 175.80 1fiu s VAL 217 N 1.75 0.63 -0.02 2.92 -7.23 -0.61 -0.21 120.40 117.64 1fiu s VAL 217 Ca 0.02 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 1fiu s VAL 217 Cb -0.17 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1fiu s VAL 217 CO -0.14 -0.36 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.43 1fiu s VAL 218 N -3.69 1.31 -0.09 1.32 1.01 -1.08 -1.12 120.40 118.06 1fiu s VAL 218 Ca 0.27 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1fiu s VAL 218 Cb 0.06 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1fiu s VAL 218 CO 0.06 0.37 -0.24 -0.69 0.00 0.00 0.00 175.10 174.61 1fiu s VAL 219 N -0.31 2.03 0.05 2.92 1.01 0.43 -0.34 120.40 126.19 1fiu s VAL 219 Ca 0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1fiu s VAL 219 Cb -0.07 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1fiu s VAL 219 CO -0.00 0.56 0.03 0.28 0.00 0.00 0.00 175.10 175.96 1fiu s THR 220 N 0.26 0.18 -0.73 3.92 -1.32 -0.58 -1.53 115.64 115.84 1fiu s THR 220 Ca -0.16 -1.45 0.08 0.00 -1.21 0.00 0.00 61.69 58.95 1fiu s THR 220 Cb -0.17 -1.19 0.23 0.00 -1.51 0.00 0.00 72.50 69.85 1fiu s THR 220 CO 0.08 -0.80 1.18 0.00 -2.21 0.00 0.00 174.62 172.87 1fiu n ALA 221 N 0.42 2.15 -1.68 11.08 0.00 -0.99 -1.12 120.51 130.37 1fiu n ALA 221 Ca -0.17 -1.09 -0.45 0.00 0.00 0.00 0.00 53.44 51.73 1fiu n ALA 221 Cb 0.60 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 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 0.29 2.26 0.08 0.00 4.07 -1.07 -4.85 120.64 121.42 1fiu n GLU 222 Ca 0.09 0.82 -0.05 0.00 -0.06 0.00 0.00 57.16 57.95 1fiu n GLU 222 Cb 0.38 -2.61 -0.08 0.00 -0.06 0.00 0.00 31.44 29.07 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 6.40 0.00 -6.01 5.31 0.13 -1.90 -3.46 132.00 132.46 1fiu h PRO 223 Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 1fiu h PRO 223 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1fiu h PRO 223 CO 0.90 0.91 0.05 0.95 -0.23 0.00 0.00 178.00 180.58 1fiu s THR 224 N -2.81 5.03 0.45 1.56 -4.23 -1.26 -4.90 115.64 109.47 1fiu s THR 224 Ca 0.01 1.36 0.13 0.00 -1.18 0.00 0.00 61.69 62.01 1fiu s THR 224 Cb 0.10 -4.00 0.30 0.00 1.34 0.00 0.00 72.50 70.24 1fiu s THR 224 CO 0.81 0.29 2.05 -0.65 -0.54 0.00 0.00 174.62 176.58 1fiu h PRO 225 N 6.54 0.33 -0.09 3.99 0.11 -1.89 -1.34 132.00 139.65 1fiu h PRO 225 Ca -0.42 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1fiu h PRO 225 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1fiu h PRO 225 CO 0.74 0.22 0.04 0.66 -0.21 0.00 0.00 178.00 179.45 1fiu h SER 226 N 0.34 0.11 -0.36 -2.05 4.64 -1.92 0.57 113.55 114.87 1fiu h SER 226 Ca 0.17 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 1fiu h SER 226 Cb 0.24 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1fiu h SER 226 CO -0.04 0.18 -0.28 0.03 -0.87 0.00 0.00 176.83 175.85 1fiu h ARG 227 N 0.03 0.89 -0.90 4.77 3.08 -1.83 -2.73 114.38 117.68 1fiu h ARG 227 Ca 0.03 -0.40 0.04 0.00 0.07 0.00 0.00 59.98 59.72 1fiu h ARG 227 Cb 0.10 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1fiu h ARG 227 CO -0.00 1.05 0.59 0.82 -1.07 0.00 0.00 179.97 181.36 1fiu h ILE 228 N 0.75 1.14 0.00 2.04 2.04 -1.03 -1.96 117.51 120.49 1fiu h ILE 228 Ca 0.09 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1fiu h ILE 228 Cb 0.84 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1fiu h ILE 228 CO 0.07 0.20 -0.02 0.77 0.00 0.00 0.00 178.15 179.18 1fiu h SER 229 N 1.11 0.00 0.62 1.72 4.64 -0.56 -0.85 113.55 120.22 1fiu h SER 229 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1fiu h SER 229 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1fiu h SER 229 CO -0.11 0.02 0.00 0.77 -0.87 0.00 0.00 176.83 176.63 1fiu h SER 230 N 0.00 0.00 0.00 4.97 4.64 -1.31 -2.55 113.55 119.30 1fiu h SER 230 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1fiu h SER 230 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1fiu h SER 230 CO 0.00 0.00 -1.14 0.00 -0.87 0.00 0.00 176.83 174.82 1fiu n ILE 231 N -3.06 0.10 0.10 0.95 0.13 -0.84 -4.81 119.36 111.93 1fiu n ILE 231 Ca -0.01 -0.08 -0.17 0.00 -1.10 0.00 0.00 62.75 61.38 1fiu n ILE 231 Cb 0.21 -0.47 -0.11 0.00 -0.84 0.00 0.00 39.64 38.43 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 0.15 0.12 -2.47 1.51 0.00 -1.16 -3.46 119.26 113.95 1fiu h ALA 232 Ca -0.04 -0.81 -0.49 0.00 0.00 0.00 0.00 54.91 53.57 1fiu h ALA 232 Cb 0.79 0.04 0.05 0.00 0.00 0.00 0.00 17.79 18.68 1fiu h ALA 232 CO 0.00 0.84 0.41 -0.51 0.00 0.00 0.00 179.25 179.99 1fiu s LEU 233 N -7.50 3.79 0.00 0.00 1.43 -0.97 -4.84 118.68 110.59 1fiu s LEU 233 Ca -0.06 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1fiu s LEU 233 Cb 0.07 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.72 1fiu s LEU 233 CO 0.90 -1.02 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1fiu n GLY 234 N -0.05 0.85 3.27 -3.19 0.00 -1.26 -4.98 105.19 99.83 1fiu n GLY 234 Ca 0.10 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.00 0.94 0.00 2.61 -4.23 -1.26 -4.90 115.64 105.80 1fiu s THR 235 Ca 0.00 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1fiu s THR 235 Cb 0.00 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1fiu s THR 235 CO 0.00 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 1fiu n GLY 236 N -0.27 1.35 0.50 3.99 0.00 -1.26 -4.90 105.19 104.60 1fiu n GLY 236 Ca -0.07 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 0.29 -3.97 1.61 4.71 -1.26 -4.90 120.64 117.12 1fiu n GLU 237 Ca 0.00 0.12 -0.35 0.00 -0.01 0.00 0.00 57.16 56.91 1fiu n GLU 237 Cb 0.00 -1.02 -0.11 0.00 -1.01 0.00 0.00 31.44 29.30 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 -2.25 4.51 0.11 -3.67 -1.09 -1.26 -4.70 121.20 112.85 1fiu s ILE 238 Ca -0.18 -0.12 -0.17 0.00 -2.23 0.00 0.00 60.65 57.94 1fiu s ILE 238 Cb 0.07 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1fiu s ILE 238 CO 0.24 0.41 1.63 0.44 -1.23 0.00 0.00 174.94 176.44 1fiu h ASP 239 N 7.29 0.46 -4.19 3.58 3.32 -0.98 -3.47 116.42 122.44 1fiu h ASP 239 Ca -0.36 -0.20 0.20 0.00 0.02 0.00 0.00 57.03 56.69 1fiu h ASP 239 Cb 1.17 -0.12 -0.20 0.00 0.22 0.00 0.00 39.33 40.41 1fiu h ASP 239 CO 0.64 0.53 0.73 0.00 -1.72 0.00 0.00 179.24 179.42 1fiu s VAL 241 N -2.24 3.64 -0.11 0.00 1.01 -0.50 -2.63 120.40 119.57 1fiu s VAL 241 Ca 0.07 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1fiu s VAL 241 Cb -0.01 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1fiu s VAL 241 CO -0.05 0.39 -0.18 -0.31 0.00 0.00 0.00 175.10 174.95 1fiu s TYR 242 N -1.00 2.20 0.02 5.22 1.51 0.54 -0.74 117.35 125.10 1fiu s TYR 242 Ca 0.17 -1.04 -0.14 0.00 -1.01 0.00 0.00 57.07 55.06 1fiu s TYR 242 Cb -0.11 -1.54 -0.06 0.00 -0.11 0.00 0.00 41.96 40.14 1fiu s TYR 242 CO 0.08 -0.50 0.41 -1.58 -1.11 0.00 0.00 175.55 172.85 1fiu s HIS 243 N 0.86 3.71 0.28 2.71 2.46 0.47 -1.53 115.29 124.25 1fiu s HIS 243 Ca -0.08 0.97 0.37 0.00 0.47 0.00 0.00 55.06 56.78 1fiu s HIS 243 Cb -0.15 -2.27 1.84 0.00 -0.13 0.00 0.00 32.58 31.86 1fiu s HIS 243 CO -0.00 0.62 2.11 0.27 -2.47 0.00 0.00 174.74 175.26 1fiu h PHE 244 N 4.53 0.00 -0.29 3.88 -0.00 -1.45 -0.46 116.94 123.15 1fiu h PHE 244 Ca -0.51 0.00 -0.27 0.00 -0.00 0.00 0.00 57.97 57.19 1fiu h PHE 244 Cb 1.22 0.00 -0.18 0.00 -0.00 0.00 0.00 35.95 36.98 1fiu h PHE 244 CO 0.70 0.00 -0.57 0.00 -0.00 0.00 0.00 178.31 178.45 1fiu n ALA 245 N -2.01 -0.63 -0.15 12.09 0.00 -1.26 -4.72 120.51 123.83 1fiu n ALA 245 Ca -0.01 -1.72 -0.08 0.00 0.00 0.00 0.00 53.44 51.63 1fiu n ALA 245 Cb 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 3.52 0.57 -0.82 0.00 5.85 -1.89 -0.96 115.31 121.59 1fiu h LEU 246 Ca -0.10 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1fiu h LEU 246 Cb 1.04 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1fiu h LEU 246 CO 0.27 0.52 0.49 1.88 -0.34 0.00 0.00 178.44 181.26 1fiu h TYR 247 N 0.58 1.08 -0.40 1.25 0.99 -1.95 -1.09 116.97 117.42 1fiu h TYR 247 Ca 0.15 -0.01 -0.15 0.00 2.00 0.00 0.00 58.73 60.73 1fiu h TYR 247 Cb 0.09 -0.35 -0.01 0.00 1.00 0.00 0.00 36.73 37.46 1fiu h TYR 247 CO -0.01 0.73 -0.34 0.93 -0.00 0.00 0.00 178.16 179.46 1fiu h GLU 248 N 1.12 0.93 -0.40 4.88 3.07 -1.94 -1.94 114.58 120.30 1fiu h GLU 248 Ca 0.29 -0.46 0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1fiu h GLU 248 Cb -0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1fiu h GLU 248 CO -0.05 1.12 0.26 1.25 -1.40 0.00 0.00 179.01 180.19 1fiu h LEU 249 N 0.77 0.45 -0.51 1.33 5.85 -0.74 -1.75 115.31 120.72 1fiu h LEU 249 Ca 0.07 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1fiu h LEU 249 Cb 0.92 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1fiu h LEU 249 CO 0.09 0.32 0.21 -0.08 -0.34 0.00 0.00 178.44 178.64 1fiu h GLU 250 N 0.53 0.75 -0.07 1.25 4.81 -1.07 -1.46 114.58 119.33 1fiu h GLU 250 Ca 0.15 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1fiu h GLU 250 Cb -0.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1fiu h GLU 250 CO -0.04 0.66 0.01 0.37 -0.73 0.00 0.00 179.01 179.28 1fiu h GLN 251 N 0.67 0.03 -0.22 1.92 4.15 -1.18 -1.85 115.11 118.64 1fiu h GLN 251 Ca 0.17 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.49 1fiu h GLN 251 Cb 0.19 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1fiu h GLN 251 CO -0.01 0.02 -0.29 0.97 -1.93 0.00 0.00 178.83 177.59 1fiu h ILE 252 N 0.04 1.27 -0.27 2.39 2.10 -1.25 -1.20 117.51 120.59 1fiu h ILE 252 Ca 0.03 -1.32 -0.04 0.00 1.08 0.00 0.00 64.86 64.61 1fiu h ILE 252 Cb 0.03 1.43 -0.02 0.00 -1.09 0.00 0.00 36.82 37.17 1fiu h ILE 252 CO -0.04 0.41 -0.00 -0.07 -1.08 0.00 0.00 178.15 177.37 1fiu h LEU 253 N 0.38 0.38 -0.03 2.19 3.38 -0.97 -1.26 115.31 119.37 1fiu h LEU 253 Ca 0.05 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1fiu h LEU 253 Cb 0.70 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1fiu h LEU 253 CO 0.05 0.45 -0.61 1.56 0.09 0.00 0.00 178.44 179.98 1fiu h GLN 254 N 0.40 0.46 0.00 1.13 4.20 -0.78 -2.74 115.11 117.79 1fiu h GLN 254 Ca 0.09 -0.46 -0.03 0.00 0.06 0.00 0.00 58.65 58.31 1fiu h GLN 254 Cb 0.27 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1fiu h GLN 254 CO 0.01 1.11 -0.13 0.77 -0.67 0.00 0.00 178.83 179.91 1fiu h SER 255 N -0.00 0.00 0.09 1.46 0.02 -0.95 -1.87 113.55 112.30 1fiu h SER 255 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1fiu h SER 255 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1fiu h SER 255 CO 0.12 0.13 -0.30 0.18 -1.14 0.00 0.00 176.83 175.83 1fiu n LEU 256 N -4.09 1.66 -3.89 5.07 4.77 -0.50 -4.97 117.00 115.05 1fiu n LEU 256 Ca -0.02 -0.55 -0.28 0.00 -0.03 0.00 0.00 56.01 55.12 1fiu n LEU 256 Cb 0.21 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1fiu n LEU 256 CO 0.33 0.30 0.02 0.59 -1.33 0.00 0.00 177.39 177.31 1fiu n ASN 257 N -0.14 -3.35 -4.48 -1.43 3.02 -0.70 -4.87 115.26 103.31 1fiu n ASN 257 Ca 0.12 -0.83 -0.43 0.00 -0.03 0.00 0.00 54.58 53.41 1fiu n ASN 257 Cb 0.42 -3.77 -0.02 0.00 -0.61 0.00 0.00 39.78 35.80 1fiu n ASN 257 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1fiu s TYR 258 N -3.45 3.11 0.13 3.10 4.12 -1.08 -4.88 117.35 118.40 1fiu s TYR 258 Ca 0.44 -1.53 -0.19 0.00 0.02 0.00 0.00 57.07 55.81 1fiu s TYR 258 Cb -0.22 -4.39 -0.02 0.00 -1.52 0.00 0.00 41.96 35.81 1fiu s TYR 258 CO 0.84 -1.55 1.73 1.49 0.02 0.00 0.00 175.55 178.08 1fiu h GLU 259 N 8.42 0.12 -0.24 -0.62 4.81 -1.89 -0.64 114.58 124.53 1fiu h GLU 259 Ca 0.23 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1fiu h GLU 259 Cb 0.97 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1fiu h GLU 259 CO 1.22 0.08 0.11 -0.44 -0.73 0.00 0.00 179.01 179.25 1fiu h ASP 260 N 0.12 0.32 0.09 1.04 3.32 -1.99 -0.95 116.42 118.36 1fiu h ASP 260 Ca 0.10 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1fiu h ASP 260 Cb 0.11 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1fiu h ASP 260 CO -0.14 0.36 -0.16 0.00 -1.72 0.00 0.00 179.24 177.58 1fiu h ALA 261 N 0.97 1.56 -0.25 3.45 0.00 -1.95 -1.05 119.26 121.99 1fiu h ALA 261 Ca 0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1fiu h ALA 261 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1fiu h ALA 261 CO -0.01 0.32 -0.41 -0.07 0.00 0.00 0.00 179.25 179.08 1fiu h LEU 262 N 0.15 0.80 -0.30 0.00 3.38 -0.82 -1.28 115.31 117.24 1fiu h LEU 262 Ca 0.03 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1fiu h LEU 262 Cb 0.37 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1fiu h LEU 262 CO 0.02 1.17 0.13 0.44 0.09 0.00 0.00 178.44 180.29 1fiu h ASP 263 N 0.45 0.17 -0.82 -0.43 3.32 -0.61 -1.39 116.42 117.11 1fiu h ASP 263 Ca 0.02 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1fiu h ASP 263 Cb 1.00 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 1fiu h ASP 263 CO 0.09 0.13 0.35 0.25 -1.72 0.00 0.00 179.24 178.34 1fiu h LEU 264 N 0.27 1.11 0.16 1.55 5.85 -1.13 -1.18 115.31 121.94 1fiu h LEU 264 Ca 0.13 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1fiu h LEU 264 Cb 0.07 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1fiu h LEU 264 CO -0.11 0.97 -0.28 0.15 -0.34 0.00 0.00 178.44 178.83 1fiu h PHE 265 N 1.18 -0.77 -0.21 1.25 3.57 -0.76 -1.53 116.94 119.68 1fiu h PHE 265 Ca 0.27 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1fiu h PHE 265 Cb 0.19 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1fiu h PHE 265 CO 0.02 -0.39 -0.05 1.88 -2.23 0.00 0.00 178.31 177.53 1fiu h TYR 266 N -0.52 0.32 -0.36 0.41 -1.99 -1.04 0.62 116.97 114.41 1fiu h TYR 266 Ca 0.02 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1fiu h TYR 266 Cb 0.53 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1fiu h TYR 266 CO -0.24 0.38 0.16 0.82 -0.00 0.00 0.00 178.16 179.28 1fiu h ILE 267 N 0.30 1.18 -0.35 -2.88 2.04 -0.82 0.56 117.51 117.55 1fiu h ILE 267 Ca 0.07 -0.52 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 1fiu h ILE 267 Cb 0.30 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1fiu h ILE 267 CO 0.01 0.19 -0.35 0.24 0.00 0.00 0.00 178.15 178.25 1fiu h MET 268 N 0.45 0.79 0.01 2.37 2.86 -0.65 0.01 114.93 120.75 1fiu h MET 268 Ca 0.12 -0.38 -0.06 0.00 -2.06 0.00 0.00 59.70 57.32 1fiu h MET 268 Cb 0.15 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1fiu h MET 268 CO -0.01 1.01 -0.23 0.28 1.06 0.00 0.00 176.91 179.02 1fiu h VAL 269 N 0.66 1.58 0.00 -2.22 2.07 -0.67 0.16 116.25 117.83 1fiu h VAL 269 Ca 0.06 -2.01 -0.05 0.00 0.82 0.00 0.00 66.70 65.52 1fiu h VAL 269 Cb 0.89 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.53 1fiu h VAL 269 CO 0.08 0.55 -0.25 0.78 0.02 0.00 0.00 177.57 178.75 1fiu h ASN 270 N -0.58 0.00 -0.26 0.57 2.35 0.05 -2.64 115.58 115.06 1fiu h ASN 270 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1fiu h ASN 270 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1fiu h ASN 270 CO 0.04 0.25 0.00 0.61 -1.65 0.00 0.00 177.43 176.68 1fiu n GLY 271 N -0.06 0.84 3.82 2.83 0.00 -0.01 -4.93 105.19 107.68 1fiu n GLY 271 Ca -0.01 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 0.30 -5.55 -0.00 1.61 5.02 -1.00 -4.86 118.16 113.68 1fiu n LYS 272 Ca 0.10 0.62 0.04 0.00 -2.02 0.00 0.00 58.31 57.05 1fiu n LYS 272 Cb 0.35 -5.51 -0.06 0.00 -0.02 0.00 0.00 35.03 29.79 1fiu n LYS 272 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1fiu n ARG 273 N -4.63 1.85 -3.76 1.97 5.12 0.53 -4.85 116.66 112.90 1fiu n ARG 273 Ca 0.03 -0.05 -0.14 0.00 -1.93 0.00 0.00 57.85 55.77 1fiu n ARG 273 Cb 0.53 -1.08 -0.15 0.00 -1.16 0.00 0.00 32.46 30.60 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 -3.12 0.82 0.00 0.55 2.96 -0.93 -1.40 118.68 117.56 1fiu s LEU 274 Ca -0.01 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 1fiu s LEU 274 Cb 0.06 0.29 -0.01 0.00 0.50 0.00 0.00 46.19 47.03 1fiu s LEU 274 CO 0.35 -0.14 0.09 0.29 -1.32 0.00 0.00 176.35 175.62 1fiu n LYS 275 N 4.15 0.55 -3.25 1.98 5.02 0.09 -4.35 118.16 122.34 1fiu n LYS 275 Ca -0.26 -1.58 -0.26 0.00 -2.02 0.00 0.00 58.31 54.19 1fiu n LYS 275 Cb 0.52 1.02 -0.02 0.00 -0.02 0.00 0.00 35.03 36.53 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 -2.13 6.33 0.49 4.39 2.15 -1.26 -0.40 116.67 126.24 1fiu s ASP 276 Ca 0.13 0.60 0.19 0.00 0.43 0.00 0.00 52.55 53.90 1fiu s ASP 276 Cb 0.01 -2.10 1.24 0.00 -0.30 0.00 0.00 42.92 41.77 1fiu s ASP 276 CO 0.09 -0.31 2.03 -0.29 -0.17 0.00 0.00 175.17 176.52 1fiu h ILE 277 N 0.84 0.85 0.00 4.11 6.09 -1.36 -0.16 117.51 127.88 1fiu h ILE 277 Ca -0.49 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 1fiu h ILE 277 Cb 1.21 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.20 1fiu h ILE 277 CO 0.63 0.03 0.00 0.77 -3.07 0.00 0.00 178.15 176.50 1fiu h SER 278 N 0.14 0.00 1.76 2.19 4.64 -1.93 -2.45 113.55 117.90 1fiu h SER 278 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1fiu h SER 278 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1fiu h SER 278 CO -0.03 0.00 -0.24 0.44 -0.87 0.00 0.00 176.83 176.13 1fiu h ASP 279 N 0.00 0.00 -0.11 4.97 3.32 -1.40 -3.39 116.42 119.81 1fiu h ASP 279 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1fiu h ASP 279 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1fiu h ASP 279 CO 0.00 0.10 0.05 0.25 -1.72 0.00 0.00 179.24 177.91 1fiu h LEU 280 N 0.00 0.07 -0.54 1.55 5.85 -1.50 -1.48 115.31 119.26 1fiu h LEU 280 Ca -0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1fiu h LEU 280 Cb 1.08 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1fiu h LEU 280 CO 0.01 0.06 0.25 -0.65 -0.34 0.00 0.00 178.44 177.76 1fiu h PRO 281 N 0.11 0.46 -0.23 5.25 0.11 -1.77 -0.21 132.00 135.71 1fiu h PRO 281 Ca 0.04 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 1fiu h PRO 281 Cb 0.01 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1fiu h PRO 281 CO -0.04 0.30 -0.31 -0.07 -0.21 0.00 0.00 178.00 177.68 1fiu h LEU 282 N 0.47 0.49 -1.53 2.35 3.38 -1.80 -2.50 115.31 116.17 1fiu h LEU 282 Ca 0.25 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1fiu h LEU 282 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1fiu h LEU 282 CO -0.21 0.78 -0.23 0.44 0.09 0.00 0.00 178.44 179.31 1fiu h ASP 283 N 0.41 0.00 0.25 -0.43 3.32 -0.31 -1.08 116.42 118.58 1fiu h ASP 283 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1fiu h ASP 283 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1fiu h ASP 283 CO 0.06 0.23 0.00 0.18 -1.72 0.00 0.00 179.24 177.99 1fiu n LEU 284 N -3.76 0.00 -0.98 1.55 4.77 -0.18 -3.40 117.00 115.00 1fiu n LEU 284 Ca -0.01 0.14 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1fiu n LEU 284 Cb 0.33 -0.14 0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1fiu n LEU 284 CO 0.34 -0.02 0.64 0.00 -1.33 0.00 0.00 177.39 177.02 1fiu n ALA 285 N -1.14 2.44 0.22 -1.18 0.00 -0.41 -5.09 120.51 115.36 1fiu n ALA 285 Ca 0.17 -0.79 0.02 0.00 0.00 0.00 0.00 53.44 52.84 1fiu n ALA 285 Cb 0.15 -0.79 0.11 0.00 0.00 0.00 0.00 19.45 18.92 1fiu n ALA 285 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83