#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fye s GLU 2 N 0.00 1.78 0.06 0.03 0.41 -1.26 -3.83 118.70 115.90 1fye s GLU 2 Ca 0.00 -1.36 0.06 0.00 -0.41 0.00 0.00 54.97 53.25 1fye s GLU 2 Cb 0.00 -2.83 -0.03 0.00 -1.78 0.00 0.00 34.13 29.49 1fye s GLU 2 CO 0.00 -0.70 -0.16 -0.51 -0.49 0.00 0.00 175.26 173.41 1fye s LEU 3 N 1.16 2.23 -0.15 1.80 1.43 -0.38 -1.45 118.68 123.31 1fye s LEU 3 Ca -0.02 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1fye s LEU 3 Cb -0.19 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 45.41 1fye s LEU 3 CO -0.07 0.01 -0.03 -0.22 0.23 0.00 0.00 176.35 176.27 1fye s LEU 4 N -1.47 1.37 -0.32 1.79 2.96 0.57 -0.12 118.68 123.47 1fye s LEU 4 Ca 0.02 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 1fye s LEU 4 Cb -0.09 -0.79 0.08 0.00 0.50 0.00 0.00 46.19 45.89 1fye s LEU 4 CO 0.02 -0.20 0.02 -0.76 -1.32 0.00 0.00 176.35 174.11 1fye s LEU 5 N 1.72 4.29 -0.08 -0.68 1.43 0.05 -1.18 118.68 124.23 1fye s LEU 5 Ca 0.01 -1.73 -0.05 0.00 -1.03 0.00 0.00 54.13 51.33 1fye s LEU 5 Cb -0.15 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1fye s LEU 5 CO -0.07 -0.33 0.15 -0.76 0.23 0.00 0.00 176.35 175.57 1fye s LEU 6 N 1.07 4.35 0.37 1.79 1.43 0.28 -0.54 118.68 127.42 1fye s LEU 6 Ca 0.01 0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.60 1fye s LEU 6 Cb -0.20 -2.23 0.71 0.00 0.03 0.00 0.00 46.19 44.50 1fye s LEU 6 CO -0.05 0.36 1.90 -1.28 0.23 0.00 0.00 176.35 177.51 1fye h SER 7 N 4.61 0.34 -4.95 2.29 0.87 -1.51 -0.93 113.55 114.28 1fye h SER 7 Ca -0.53 -0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.03 1fye h SER 7 Cb 1.21 -0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 62.97 1fye h SER 7 CO 0.61 0.45 0.34 0.54 -0.53 0.00 0.00 176.83 178.25 1fye s ASN 8 N -6.82 -0.40 0.07 6.23 4.22 -1.26 -2.68 114.94 114.30 1fye s ASN 8 Ca -0.06 -0.17 0.14 0.00 -2.14 0.00 0.00 52.86 50.63 1fye s ASN 8 Cb 0.15 0.54 -0.15 0.00 1.28 0.00 0.00 41.25 43.08 1fye s ASN 8 CO 0.75 -0.92 0.92 0.77 -2.04 0.00 0.00 177.10 176.57 1fye h SER 9 N 2.00 0.00 -3.35 3.54 4.64 -1.93 -3.46 113.55 115.00 1fye h SER 9 Ca -0.26 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.69 1fye h SER 9 Cb 1.27 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.98 1fye h SER 9 CO 0.31 0.74 -0.74 -0.89 -0.87 0.00 0.00 176.83 175.38 1fye s THR 10 N -2.81 -0.01 0.53 2.95 2.01 -1.26 -0.19 115.64 116.87 1fye s THR 10 Ca -0.02 0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.13 1fye s THR 10 Cb 0.08 -0.21 -0.06 0.00 0.01 0.00 0.00 72.50 72.32 1fye s THR 10 CO 0.81 0.17 1.03 -0.76 -0.69 0.00 0.00 174.62 175.18 1fye s LEU 11 N 1.87 3.67 0.26 4.42 1.43 -1.26 -4.96 118.68 124.11 1fye s LEU 11 Ca 0.02 1.80 -0.31 0.00 -1.03 0.00 0.00 54.13 54.61 1fye s LEU 11 Cb -0.12 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.43 1fye s LEU 11 CO -0.03 -0.88 1.51 -2.65 0.23 0.00 0.00 176.35 174.53 1fye n PRO 12 N -1.50 2.38 -0.92 1.29 -0.02 -1.26 -1.26 135.00 133.71 1fye n PRO 12 Ca 0.08 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1fye n PRO 12 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1fye n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fye n GLY 13 N 2.23 0.32 3.82 -1.23 0.00 -1.26 -4.98 105.19 104.09 1fye n GLY 13 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1fye n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fye s LYS 14 N -0.86 2.22 0.37 1.61 -0.14 -0.39 -5.12 119.74 117.44 1fye s LYS 14 Ca 0.00 -2.13 -0.04 0.00 -1.36 0.00 0.00 55.97 52.43 1fye s LYS 14 Cb 0.00 -1.86 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 1fye s LYS 14 CO 0.00 -0.42 0.65 0.00 -0.76 0.00 0.00 175.35 174.81 1fye s ALA 15 N -2.78 3.54 0.22 5.17 0.00 -1.26 -4.69 121.76 121.97 1fye s ALA 15 Ca 0.25 -0.59 -0.31 0.00 0.00 0.00 0.00 51.96 51.31 1fye s ALA 15 Cb 0.00 -2.38 -0.11 0.00 0.00 0.00 0.00 23.12 20.63 1fye s ALA 15 CO 0.14 -0.02 1.66 -0.46 0.00 0.00 0.00 175.76 177.08 1fye s TRP 16 N -2.36 2.90 -0.08 0.00 -0.00 -1.26 -1.30 118.94 116.84 1fye s TRP 16 Ca 0.45 0.52 0.00 0.00 -0.00 0.00 0.00 56.10 57.07 1fye s TRP 16 Cb -0.10 -4.08 0.00 0.00 -0.00 0.00 0.00 33.47 29.29 1fye s TRP 16 CO 0.36 -3.94 0.00 1.28 -0.00 0.00 0.00 176.95 174.65 1fye n LEU 17 N 3.49 0.68 -0.30 5.86 4.77 0.73 -4.91 117.00 127.34 1fye n LEU 17 Ca 0.13 0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 56.12 1fye n LEU 17 Cb 0.36 -2.05 0.11 0.00 -2.33 0.00 0.00 43.42 39.51 1fye n LEU 17 CO 0.63 -0.77 1.19 -0.08 -1.33 0.00 0.00 177.39 177.03 1fye h GLU 18 N 0.22 0.97 0.00 3.23 4.81 -1.38 -0.58 114.58 121.85 1fye h GLU 18 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1fye h GLU 18 Cb 0.78 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1fye h GLU 18 CO 0.02 0.64 0.00 1.12 -0.73 0.00 0.00 179.01 180.06 1fye h HIS 19 N 1.00 0.00 0.00 0.92 2.07 -1.87 -2.91 115.15 114.36 1fye h HIS 19 Ca 0.33 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.72 1fye h HIS 19 Cb 0.04 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.00 1fye h HIS 19 CO -0.03 0.00 -0.65 0.00 -3.07 0.00 0.00 177.93 174.18 1fye h ALA 20 N 2.03 0.58 -0.41 6.11 0.00 -1.46 -3.39 119.26 122.71 1fye h ALA 20 Ca 0.00 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.36 1fye h ALA 20 Cb 0.58 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1fye h ALA 20 CO 0.00 0.81 0.18 -0.07 0.00 0.00 0.00 179.25 180.17 1fye h LEU 21 N 0.00 0.25 -1.16 0.00 3.38 -1.23 -0.15 115.31 116.39 1fye h LEU 21 Ca -0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1fye h LEU 21 Cb 1.50 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1fye h LEU 21 CO 0.08 0.18 0.03 1.55 0.09 0.00 0.00 178.44 180.37 1fye h PRO 22 N 0.38 0.61 -0.39 1.13 0.13 -1.78 0.11 132.00 132.18 1fye h PRO 22 Ca 0.18 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1fye h PRO 22 Cb 0.12 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1fye h PRO 22 CO -0.15 0.61 0.16 -0.07 -0.23 0.00 0.00 178.00 178.32 1fye h LEU 23 N 0.58 0.53 -0.17 1.56 3.38 -1.54 -0.98 115.31 118.67 1fye h LEU 23 Ca 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1fye h LEU 23 Cb 0.33 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1fye h LEU 23 CO 0.01 0.55 0.05 0.40 0.09 0.00 0.00 178.44 179.54 1fye h ILE 24 N 0.48 1.19 -0.95 1.22 2.04 -0.75 -2.51 117.51 118.23 1fye h ILE 24 Ca 0.13 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.47 1fye h ILE 24 Cb 0.18 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1fye h ILE 24 CO -0.01 0.18 0.62 0.00 0.00 0.00 0.00 178.15 178.94 1fye h ALA 25 N 0.87 1.44 0.00 1.87 0.00 -0.64 0.14 119.26 122.95 1fye h ALA 25 Ca 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1fye h ALA 25 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1fye h ALA 25 CO -0.00 0.43 -0.19 -0.91 0.00 0.00 0.00 179.25 178.59 1fye h ASN 26 N 1.13 0.00 0.00 0.00 2.35 -1.01 -3.27 115.58 114.78 1fye h ASN 26 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1fye h ASN 26 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1fye h ASN 26 CO -0.14 0.19 -1.63 1.67 -1.65 0.00 0.00 177.43 175.87 1fye n GLN 27 N -3.77 0.61 -0.33 0.81 7.27 -0.13 -4.58 117.38 117.25 1fye n GLN 27 Ca -0.02 -0.13 -0.01 0.00 0.07 0.00 0.00 57.00 56.91 1fye n GLN 27 Cb 0.29 -1.45 0.12 0.00 2.41 0.00 0.00 30.24 31.60 1fye n GLN 27 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1fye h LEU 28 N 0.00 0.97 -0.78 1.69 3.38 -1.14 -3.46 115.31 115.97 1fye h LEU 28 Ca 0.00 -0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.50 1fye h LEU 28 Cb 0.78 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1fye h LEU 28 CO 0.00 0.67 -0.73 -3.20 0.09 0.00 0.00 178.44 175.27 1fye n ASN 29 N -4.51 -4.90 0.00 -0.43 4.05 -1.26 -1.94 115.26 106.27 1fye n ASN 29 Ca 0.11 -0.72 0.00 0.00 0.45 0.00 0.00 54.58 54.42 1fye n ASN 29 Cb 0.08 -3.92 0.00 0.00 1.23 0.00 0.00 39.78 37.18 1fye n ASN 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1fye n GLY 30 N -1.66 1.05 3.76 8.20 0.00 -1.26 -5.04 105.19 110.24 1fye n GLY 30 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1fye n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fye s ARG 31 N -0.48 3.58 0.00 1.61 0.52 -0.82 -4.95 118.95 118.42 1fye s ARG 31 Ca 0.00 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 1fye s ARG 31 Cb 0.00 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1fye s ARG 31 CO 0.00 -0.79 0.00 -2.13 0.02 0.00 0.00 175.30 172.40 1fye n ARG 32 N -0.50 0.00 -2.80 3.54 0.63 -1.26 -4.67 116.66 111.60 1fye n ARG 32 Ca 0.07 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.58 1fye n ARG 32 Cb 0.45 -0.58 -0.03 0.00 0.45 0.00 0.00 32.46 32.75 1fye n ARG 32 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1fye s SER 33 N -4.06 7.07 0.00 6.15 1.04 -1.26 -0.27 113.70 122.37 1fye s SER 33 Ca 0.00 1.32 0.06 0.00 0.48 0.00 0.00 55.95 57.81 1fye s SER 33 Cb 0.00 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 1fye s SER 33 CO 0.00 -0.43 -0.20 0.00 0.98 0.00 0.00 173.24 173.59 1fye s ALA 34 N 2.14 1.66 -0.12 5.32 0.00 -0.18 -0.96 121.76 129.63 1fye s ALA 34 Ca 0.42 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 1fye s ALA 34 Cb -0.17 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1fye s ALA 34 CO 0.14 0.40 0.03 0.14 0.00 0.00 0.00 175.76 176.46 1fye s VAL 35 N -0.57 4.52 -0.19 0.00 -7.23 -0.45 -1.28 120.40 115.21 1fye s VAL 35 Ca 0.07 -0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.01 1fye s VAL 35 Cb -0.08 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1fye s VAL 35 CO -0.00 0.56 0.09 0.12 -0.31 0.00 0.00 175.10 175.56 1fye s PHE 36 N -0.50 3.31 -0.45 2.82 2.19 0.08 -0.72 117.98 124.72 1fye s PHE 36 Ca 0.09 0.17 -0.13 0.00 0.33 0.00 0.00 56.93 57.39 1fye s PHE 36 Cb -0.12 -2.11 0.07 0.00 -1.31 0.00 0.00 43.02 39.55 1fye s PHE 36 CO 0.02 0.20 0.34 0.42 1.83 0.00 0.00 175.22 178.04 1fye s ILE 37 N 0.37 4.91 -2.70 3.12 -1.09 0.78 -1.13 121.20 125.46 1fye s ILE 37 Ca 0.05 -1.13 0.24 0.00 -2.23 0.00 0.00 60.65 57.58 1fye s ILE 37 Cb -0.12 -3.93 0.35 0.00 -1.58 0.00 0.00 42.46 37.18 1fye s ILE 37 CO -0.01 -0.53 1.43 -0.81 -1.23 0.00 0.00 174.94 173.79 1fye n PRO 38 N 5.11 2.16 0.19 2.79 -0.04 -1.26 -2.49 135.00 141.46 1fye n PRO 38 Ca -0.12 -1.71 0.14 0.00 -0.04 0.00 0.00 63.50 61.78 1fye n PRO 38 Cb 0.44 -1.47 0.63 0.00 -0.04 0.00 0.00 33.50 33.06 1fye n PRO 38 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1fye h PHE 39 N 3.87 0.00 0.00 0.54 0.05 -1.92 0.11 116.94 119.60 1fye h PHE 39 Ca 0.00 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.76 1fye h PHE 39 Cb 0.83 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.78 1fye h PHE 39 CO 0.07 0.00 -0.14 0.00 -0.18 0.00 0.00 178.31 178.06 1fye h ALA 40 N 2.12 1.27 -2.59 2.45 0.00 -1.81 -3.31 119.26 117.40 1fye h ALA 40 Ca 0.00 -0.13 -0.48 0.00 0.00 0.00 0.00 54.91 54.30 1fye h ALA 40 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1fye h ALA 40 CO 0.00 0.17 0.40 0.20 0.00 0.00 0.00 179.25 180.02 1fye s GLY 41 N -4.21 2.87 0.15 0.00 0.00 0.02 -0.26 107.32 105.90 1fye s GLY 41 Ca -0.03 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1fye s GLY 41 CO 0.60 1.18 0.00 -0.62 0.00 0.00 0.00 173.10 174.25 1fye n VAL 42 N 0.56 0.74 0.68 1.40 0.31 -1.26 -4.87 118.33 115.89 1fye n VAL 42 Ca 0.02 0.24 0.12 0.00 -0.01 0.00 0.00 64.34 64.71 1fye n VAL 42 Cb 0.48 -1.21 0.20 0.00 -0.91 0.00 0.00 33.84 32.40 1fye n VAL 42 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1fye n THR 43 N -3.43 0.26 -4.43 2.52 -1.04 -1.26 -4.82 114.28 102.08 1fye n THR 43 Ca 0.00 -0.20 -0.31 0.00 -2.04 0.00 0.00 64.05 61.50 1fye n THR 43 Cb 0.03 -0.05 -0.11 0.00 -1.82 0.00 0.00 70.33 68.38 1fye n THR 43 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1fye s GLN 44 N -3.12 2.23 0.65 -2.82 0.74 -1.26 -5.12 119.66 110.95 1fye s GLN 44 Ca 0.08 -0.93 -0.15 0.00 0.05 0.00 0.00 55.36 54.41 1fye s GLN 44 Cb 0.15 -2.32 -0.01 0.00 1.10 0.00 0.00 33.01 31.93 1fye s GLN 44 CO 0.71 0.54 1.10 0.95 -0.55 0.00 0.00 175.29 178.04 1fye s THR 45 N -1.06 3.39 0.27 -0.34 -4.23 -1.26 -4.88 115.64 107.53 1fye s THR 45 Ca 0.18 0.64 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 1fye s THR 45 Cb -0.11 -3.16 0.06 0.00 1.34 0.00 0.00 72.50 70.63 1fye s THR 45 CO 0.09 -0.41 1.70 -0.50 -0.54 0.00 0.00 174.62 174.96 1fye h TRP 46 N 0.05 0.59 -0.11 3.99 6.55 -1.90 -1.46 115.95 123.66 1fye h TRP 46 Ca -0.47 -0.13 0.04 0.00 0.95 0.00 0.00 58.89 59.29 1fye h TRP 46 Cb 1.24 -0.14 -0.06 0.00 -0.86 0.00 0.00 29.16 29.34 1fye h TRP 46 CO 0.56 0.74 -0.26 -0.44 -1.05 0.00 0.00 178.44 177.98 1fye h ASP 47 N 0.46 -0.82 -0.07 -3.49 5.19 -1.98 -0.54 116.42 115.17 1fye h ASP 47 Ca 0.07 0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.54 1fye h ASP 47 Cb 0.69 0.35 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 1fye h ASP 47 CO 0.05 -0.32 -0.13 -0.08 -3.12 0.00 0.00 179.24 175.64 1fye h GLU 48 N -0.35 0.40 -0.87 3.56 4.81 -1.87 -2.71 114.58 117.55 1fye h GLU 48 Ca 0.09 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1fye h GLU 48 Cb 0.49 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1fye h GLU 48 CO -0.31 0.54 0.57 -0.92 -0.73 0.00 0.00 179.01 178.16 1fye h TYR 49 N 0.38 1.06 -0.44 0.92 -0.00 -0.53 -2.65 116.97 115.70 1fye h TYR 49 Ca 0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.81 1fye h TYR 49 Cb 0.46 -0.35 -0.02 0.00 -0.00 0.00 0.00 36.73 36.82 1fye h TYR 49 CO 0.01 0.62 0.21 1.15 -0.00 0.00 0.00 178.16 180.15 1fye h THR 50 N 1.10 1.15 -0.45 1.81 2.02 -0.79 -3.26 112.91 114.50 1fye h THR 50 Ca 0.35 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 1fye h THR 50 Cb -0.01 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1fye h THR 50 CO -0.11 0.18 -0.06 0.44 0.37 0.00 0.00 175.52 176.34 1fye h ASP 51 N 0.62 0.83 -0.27 4.18 3.32 -1.43 -2.07 116.42 121.60 1fye h ASP 51 Ca 0.16 -0.34 0.06 0.00 0.02 0.00 0.00 57.03 56.93 1fye h ASP 51 Cb 0.08 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 1fye h ASP 51 CO -0.02 0.97 -0.12 0.11 -1.72 0.00 0.00 179.24 178.47 1fye h LYS 52 N 0.68 -0.07 -0.09 3.56 1.57 -1.59 0.67 116.57 121.29 1fye h LYS 52 Ca 0.12 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1fye h LYS 52 Cb 0.58 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1fye h LYS 52 CO 0.03 -0.05 0.02 1.15 -0.57 0.00 0.00 179.45 180.04 1fye h THR 53 N -0.07 0.96 -0.84 -0.16 2.02 -1.59 -1.99 112.91 111.23 1fye h THR 53 Ca 0.14 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.36 1fye h THR 53 Cb 0.29 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1fye h THR 53 CO -0.32 0.01 0.55 0.00 0.37 0.00 0.00 175.52 176.13 1fye h ALA 54 N 1.07 1.55 -0.39 6.16 0.00 -1.08 -0.29 119.26 126.28 1fye h ALA 54 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1fye h ALA 54 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1fye h ALA 54 CO -0.06 0.33 0.16 0.93 0.00 0.00 0.00 179.25 180.62 1fye h GLU 55 N 0.97 0.58 0.00 0.00 5.08 -0.38 0.42 114.58 121.25 1fye h GLU 55 Ca 0.36 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1fye h GLU 55 Cb 0.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1fye h GLU 55 CO -0.12 0.55 -0.88 -0.24 -1.00 0.00 0.00 179.01 177.31 1fye h VAL 56 N 0.49 0.50 0.00 3.13 3.04 -0.99 -3.34 116.25 119.08 1fye h VAL 56 Ca 0.13 -1.81 -0.06 0.00 -1.01 0.00 0.00 66.70 63.95 1fye h VAL 56 Cb 0.18 2.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 1fye h VAL 56 CO -0.01 0.28 -1.38 0.18 -1.01 0.00 0.00 177.57 175.63 1fye n LEU 57 N -3.00 0.63 -0.28 3.16 4.77 -0.15 -4.38 117.00 117.76 1fye n LEU 57 Ca -0.03 0.26 0.04 0.00 -0.03 0.00 0.00 56.01 56.25 1fye n LEU 57 Cb 0.72 0.01 0.17 0.00 -2.33 0.00 0.00 43.42 42.00 1fye n LEU 57 CO 0.41 -0.03 1.10 0.00 -1.33 0.00 0.00 177.39 177.54 1fye h ALA 58 N 1.81 1.14 0.00 -1.18 0.00 -0.18 -1.12 119.26 119.73 1fye h ALA 58 Ca -0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fye h ALA 58 Cb 1.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1fye h ALA 58 CO 0.01 -0.01 -0.01 -1.35 0.00 0.00 0.00 179.25 177.89 1fye h PRO 59 N 0.67 0.00 0.00 0.00 0.11 -1.78 0.59 132.00 131.60 1fye h PRO 59 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1fye h PRO 59 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1fye h PRO 59 CO -0.29 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 178.79 1fye n LEU 60 N -3.81 0.00 0.00 2.35 4.32 -0.44 -4.88 117.00 114.54 1fye n LEU 60 Ca -0.03 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1fye n LEU 60 Cb 0.09 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1fye n LEU 60 CO 0.27 -0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 1fye n GLY 61 N 0.96 0.77 3.55 -0.72 0.00 0.20 -5.01 105.19 104.93 1fye n GLY 61 Ca 0.21 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1fye n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fye s VAL 62 N -2.00 4.58 -0.45 1.61 1.01 -1.10 -4.32 120.40 119.74 1fye s VAL 62 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1fye s VAL 62 Cb 0.00 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.33 1fye s VAL 62 CO 0.00 0.39 0.35 0.21 0.00 0.00 0.00 175.10 176.06 1fye s ASN 63 N 0.99 6.11 -0.22 3.32 2.47 0.62 -3.43 114.94 124.80 1fye s ASN 63 Ca 0.04 -1.18 -0.13 0.00 0.42 0.00 0.00 52.86 52.01 1fye s ASN 63 Cb -0.14 -2.16 -0.04 0.00 -1.45 0.00 0.00 41.25 37.45 1fye s ASN 63 CO 0.03 -0.57 0.27 -0.69 -3.72 0.00 0.00 177.10 172.42 1fye s VAL 64 N 1.64 5.28 -0.08 -5.21 1.01 -1.26 -1.01 120.40 120.78 1fye s VAL 64 Ca 0.04 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.49 1fye s VAL 64 Cb -0.22 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1fye s VAL 64 CO 0.08 0.30 -0.20 -0.89 0.00 0.00 0.00 175.10 174.38 1fye s THR 65 N 1.17 2.44 0.14 3.92 2.01 -0.41 -4.88 115.64 120.03 1fye s THR 65 Ca 0.13 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 1fye s THR 65 Cb -0.14 -1.94 -0.07 0.00 0.01 0.00 0.00 72.50 70.36 1fye s THR 65 CO 0.06 0.56 1.08 -0.83 -0.69 0.00 0.00 174.62 174.80 1fye s GLY 66 N -0.03 2.83 0.53 4.40 0.00 -1.26 -0.74 107.32 113.04 1fye s GLY 66 Ca -0.06 0.76 0.32 0.00 0.00 0.00 0.00 44.72 45.74 1fye s GLY 66 CO 0.05 1.66 1.95 1.19 0.00 0.00 0.00 173.10 177.95 1fye h ILE 67 N 3.91 0.11 0.00 0.90 6.09 -1.50 0.22 117.51 127.25 1fye h ILE 67 Ca -0.44 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 62.42 1fye h ILE 67 Cb 1.21 1.56 0.00 0.00 0.47 0.00 0.00 36.82 40.07 1fye h ILE 67 CO 0.73 0.04 0.00 0.00 -3.07 0.00 0.00 178.15 175.86 1fye n HIS 68 N -3.16 0.00 -0.55 2.19 1.44 -1.26 -3.80 115.22 110.09 1fye n HIS 68 Ca 0.01 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.77 1fye n HIS 68 Cb 0.33 -0.24 0.09 0.00 0.12 0.00 0.00 29.99 30.29 1fye n HIS 68 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1fye n ARG 69 N -1.24 2.23 -4.35 -1.40 1.74 0.07 -5.01 116.66 108.69 1fye n ARG 69 Ca 0.13 -2.09 -0.29 0.00 -0.77 0.00 0.00 57.85 54.83 1fye n ARG 69 Cb 0.18 -1.29 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 1fye n ARG 69 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1fye s VAL 70 N -1.95 2.53 0.28 1.55 -7.23 -1.23 -4.94 120.40 109.41 1fye s VAL 70 Ca 0.18 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1fye s VAL 70 Cb 0.15 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.97 1fye s VAL 70 CO 0.03 0.08 1.67 0.00 -0.31 0.00 0.00 175.10 176.57 1fye h ALA 71 N 3.76 1.05 -2.91 1.32 0.00 -1.95 -3.37 119.26 117.17 1fye h ALA 71 Ca -0.50 -0.43 -0.61 0.00 0.00 0.00 0.00 54.91 53.37 1fye h ALA 71 Cb 1.17 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.47 1fye h ALA 71 CO 0.43 0.61 -0.74 0.34 0.00 0.00 0.00 179.25 179.89 1fye s ASP 72 N -6.88 3.51 0.36 0.00 -1.08 -1.26 -4.98 116.67 106.34 1fye s ASP 72 Ca -0.05 -2.95 0.07 0.00 -0.52 0.00 0.00 52.55 49.10 1fye s ASP 72 Cb 0.13 -1.06 0.68 0.00 -1.46 0.00 0.00 42.92 41.21 1fye s ASP 72 CO 0.78 -0.21 1.89 1.55 0.52 0.00 0.00 175.17 179.70 1fye h PRO 73 N 6.27 0.39 -0.15 4.34 0.13 -1.84 0.88 132.00 142.02 1fye h PRO 73 Ca 0.07 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1fye h PRO 73 Cb 0.89 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1fye h PRO 73 CO 0.51 0.48 0.06 1.25 -0.23 0.00 0.00 178.00 180.07 1fye h LEU 74 N 0.37 0.22 -1.06 1.56 5.85 -1.93 -1.38 115.31 118.94 1fye h LEU 74 Ca 0.08 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1fye h LEU 74 Cb 0.36 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1fye h LEU 74 CO 0.02 0.33 -0.07 0.00 -0.34 0.00 0.00 178.44 178.38 1fye h ALA 75 N 0.89 1.22 -0.68 1.25 0.00 -1.87 -0.53 119.26 119.54 1fye h ALA 75 Ca 0.05 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1fye h ALA 75 Cb 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1fye h ALA 75 CO -0.00 0.51 0.42 0.00 0.00 0.00 0.00 179.25 180.17 1fye h ALA 76 N 1.38 0.89 -0.36 0.00 0.00 -0.49 -0.96 119.26 119.71 1fye h ALA 76 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1fye h ALA 76 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1fye h ALA 76 CO 0.02 0.17 0.06 0.82 0.00 0.00 0.00 179.25 180.32 1fye h ILE 77 N 0.81 1.24 0.00 0.00 2.04 -0.86 -1.15 117.51 119.60 1fye h ILE 77 Ca 0.28 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1fye h ILE 77 Cb 0.04 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1fye h ILE 77 CO -0.12 0.28 -0.06 -0.33 0.00 0.00 0.00 178.15 177.92 1fye h GLU 78 N 0.44 0.00 0.00 2.37 5.08 -0.51 -2.46 114.58 119.51 1fye h GLU 78 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1fye h GLU 78 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1fye h GLU 78 CO 0.01 0.06 -1.17 1.63 -1.00 0.00 0.00 179.01 178.54 1fye n LYS 79 N -4.32 0.25 -2.21 2.33 4.76 -0.42 -4.98 118.16 113.58 1fye n LYS 79 Ca -0.03 -0.04 -0.37 0.00 -2.87 0.00 0.00 58.31 55.00 1fye n LYS 79 Cb 0.15 -1.55 -0.01 0.00 -1.84 0.00 0.00 35.03 31.78 1fye n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fye s ALA 80 N -3.19 3.01 -0.35 7.82 0.00 -0.45 -4.94 121.76 123.66 1fye s ALA 80 Ca 0.03 0.99 0.23 0.00 0.00 0.00 0.00 51.96 53.21 1fye s ALA 80 Cb 0.15 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1fye s ALA 80 CO 0.84 -0.71 1.02 0.39 0.00 0.00 0.00 175.76 177.30 1fye n GLU 81 N -0.41 0.50 -3.82 0.00 1.02 -0.13 -4.80 120.64 113.00 1fye n GLU 81 Ca 0.07 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 1fye n GLU 81 Cb 0.47 -1.72 -0.15 0.00 -0.02 0.00 0.00 31.44 30.02 1fye n GLU 81 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1fye s ILE 82 N -3.32 -0.03 -0.17 -3.67 1.01 -0.32 -1.32 121.20 113.38 1fye s ILE 82 Ca 0.01 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.75 1fye s ILE 82 Cb 0.12 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.51 1fye s ILE 82 CO 0.80 0.04 -0.15 -0.63 0.00 0.00 0.00 174.94 175.00 1fye s ILE 83 N 0.51 2.62 -0.15 2.92 1.01 0.21 -1.34 121.20 126.98 1fye s ILE 83 Ca -0.04 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1fye s ILE 83 Cb -0.06 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1fye s ILE 83 CO -0.02 0.51 -0.20 -0.63 0.00 0.00 0.00 174.94 174.60 1fye s ILE 84 N 1.07 2.22 -0.21 2.92 1.01 0.10 -0.81 121.20 127.50 1fye s ILE 84 Ca -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1fye s ILE 84 Cb -0.14 -1.91 0.05 0.00 0.01 0.00 0.00 42.46 40.46 1fye s ILE 84 CO -0.04 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1fye s VAL 85 N 0.87 1.79 0.78 2.92 1.01 0.33 -0.16 120.40 127.95 1fye s VAL 85 Ca -0.05 -1.16 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 1fye s VAL 85 Cb -0.15 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.45 1fye s VAL 85 CO -0.03 0.14 1.12 -0.83 0.00 0.00 0.00 175.10 175.51 1fye s GLY 86 N 1.32 1.66 0.80 4.51 0.00 -1.04 -2.48 107.32 112.08 1fye s GLY 86 Ca -0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 44.72 43.73 1fye s GLY 86 CO -0.08 -0.37 1.13 -0.32 0.00 0.00 0.00 173.10 173.46 1fye s GLY 87 N -4.60 1.68 0.00 0.20 0.00 -1.20 -3.48 107.32 99.91 1fye s GLY 87 Ca 0.63 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1fye s GLY 87 CO 0.48 -0.42 0.00 0.61 0.00 0.00 0.00 173.10 173.77 1fye n GLY 88 N -3.23 0.51 3.64 0.20 0.00 -1.26 -3.89 105.19 101.17 1fye n GLY 88 Ca 0.10 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 1fye n GLY 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fye s ASN 89 N -4.00 6.64 0.29 1.61 3.84 0.64 -4.43 114.94 119.53 1fye s ASN 89 Ca 0.00 0.78 0.00 0.00 0.21 0.00 0.00 52.86 53.86 1fye s ASN 89 Cb 0.00 -2.35 0.44 0.00 -0.55 0.00 0.00 41.25 38.80 1fye s ASN 89 CO 0.00 -0.33 1.82 0.74 -2.79 0.00 0.00 177.10 176.54 1fye h THR 90 N 5.30 1.22 -0.41 -5.21 2.02 -1.91 -0.94 112.91 112.98 1fye h THR 90 Ca -0.29 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 65.95 1fye h THR 90 Cb 1.13 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1fye h THR 90 CO 0.78 0.31 -0.06 -0.26 0.37 0.00 0.00 175.52 176.66 1fye h PHE 91 N 0.69 0.85 -0.44 3.16 -1.00 -1.88 -1.24 116.94 117.08 1fye h PHE 91 Ca 0.15 -0.17 -0.12 0.00 2.81 0.00 0.00 57.97 60.64 1fye h PHE 91 Cb 0.35 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1fye h PHE 91 CO 0.02 0.87 -0.20 0.37 -1.61 0.00 0.00 178.31 177.75 1fye h GLN 92 N 0.58 0.87 -0.31 1.51 4.15 -1.77 0.26 115.11 120.41 1fye h GLN 92 Ca 0.11 -0.35 0.05 0.00 0.77 0.00 0.00 58.65 59.23 1fye h GLN 92 Cb 0.57 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.17 1fye h GLN 92 CO 0.03 0.99 0.04 1.25 -1.93 0.00 0.00 178.83 179.22 1fye h LEU 93 N 0.76 -0.02 -0.35 -2.39 5.85 -0.98 -0.95 115.31 117.22 1fye h LEU 93 Ca 0.11 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1fye h LEU 93 Cb 0.74 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1fye h LEU 93 CO 0.06 0.02 -0.26 0.25 -0.34 0.00 0.00 178.44 178.17 1fye h LEU 94 N 0.15 0.84 -0.14 2.25 5.85 -1.02 -1.21 115.31 122.02 1fye h LEU 94 Ca 0.15 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1fye h LEU 94 Cb 0.17 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1fye h LEU 94 CO -0.21 1.10 -0.05 0.50 -0.34 0.00 0.00 178.44 179.44 1fye h LYS 95 N 0.58 -0.03 -0.50 1.25 3.64 -0.73 0.14 116.57 120.92 1fye h LYS 95 Ca 0.07 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1fye h LYS 95 Cb 0.83 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1fye h LYS 95 CO 0.07 -0.02 -0.06 0.93 -2.27 0.00 0.00 179.45 178.10 1fye h GLU 96 N -0.03 0.92 -0.69 1.90 4.39 -1.16 0.71 114.58 120.62 1fye h GLU 96 Ca 0.08 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 1fye h GLU 96 Cb 0.15 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1fye h GLU 96 CO -0.17 0.98 0.35 0.77 -1.16 0.00 0.00 179.01 179.78 1fye h SER 97 N 0.78 0.89 0.08 1.42 0.02 -0.96 -0.73 113.55 115.04 1fye h SER 97 Ca 0.13 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1fye h SER 97 Cb 0.60 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1fye h SER 97 CO 0.04 0.76 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.36 1fye h ARG 98 N 0.96 -0.10 -0.13 3.45 2.43 -0.83 0.27 114.38 120.42 1fye h ARG 98 Ca 0.24 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1fye h ARG 98 Cb 0.09 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1fye h ARG 98 CO -0.03 0.23 -0.08 0.93 -1.51 0.00 0.00 179.97 179.51 1fye h GLU 99 N -0.43 0.20 -0.01 0.20 5.08 -0.72 -1.04 114.58 117.86 1fye h GLU 99 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1fye h GLU 99 Cb 0.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1fye h GLU 99 CO 0.02 0.29 -0.00 0.54 -1.00 0.00 0.00 179.01 178.86 1fye n ARG 100 N -4.34 1.24 -1.87 2.33 1.74 -0.29 -4.91 116.66 110.56 1fye n ARG 100 Ca -0.01 -0.38 -0.09 0.00 -0.77 0.00 0.00 57.85 56.60 1fye n ARG 100 Cb 0.22 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.15 1fye n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fye n GLY 101 N 1.08 0.35 0.00 -0.13 0.00 -0.39 -4.93 105.19 101.17 1fye n GLY 101 Ca 0.22 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1fye n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fye n LEU 102 N -1.16 0.59 0.26 0.99 4.77 0.06 -4.48 117.00 118.03 1fye n LEU 102 Ca -0.10 -0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 55.39 1fye n LEU 102 Cb 0.48 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1fye n LEU 102 CO 0.12 0.15 0.53 0.25 -1.33 0.00 0.00 177.39 177.11 1fye h LEU 103 N 0.00 -0.56 -0.50 2.23 5.85 -1.82 -0.61 115.31 119.90 1fye h LEU 103 Ca 0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1fye h LEU 103 Cb 0.55 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1fye h LEU 103 CO 0.00 -0.23 0.22 0.00 -0.34 0.00 0.00 178.44 178.09 1fye h ALA 104 N -0.55 0.65 -0.94 1.25 0.00 -1.90 -2.23 119.26 115.53 1fye h ALA 104 Ca -0.07 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.85 1fye h ALA 104 Cb 0.60 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1fye h ALA 104 CO 0.11 0.23 0.55 -1.35 0.00 0.00 0.00 179.25 178.79 1fye h PRO 105 N 0.67 0.77 -0.38 0.00 0.11 -1.77 0.15 132.00 131.55 1fye h PRO 105 Ca 0.17 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 1fye h PRO 105 Cb 0.15 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1fye h PRO 105 CO -0.02 0.51 0.04 0.52 -0.21 0.00 0.00 178.00 178.84 1fye h MET 106 N 0.80 0.65 -0.41 1.05 2.86 -0.76 -0.95 114.93 118.15 1fye h MET 106 Ca 0.50 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1fye h MET 106 Cb 0.65 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1fye h MET 106 CO -0.33 0.72 0.22 0.00 1.06 0.00 0.00 176.91 178.58 1fye h ALA 107 N 0.90 0.53 -0.80 6.32 0.00 -0.78 -1.93 119.26 123.51 1fye h ALA 107 Ca 0.11 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1fye h ALA 107 Cb 0.40 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1fye h ALA 107 CO 0.01 0.07 0.49 -0.44 0.00 0.00 0.00 179.25 179.38 1fye h ASP 108 N 0.53 0.77 -0.30 0.00 3.32 -0.59 0.07 116.42 120.22 1fye h ASP 108 Ca 0.14 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 1fye h ASP 108 Cb 0.07 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1fye h ASP 108 CO -0.02 0.50 -0.30 -0.09 -1.72 0.00 0.00 179.24 177.61 1fye h ARG 109 N 0.91 0.82 -0.49 3.56 9.65 -0.80 -0.26 114.38 127.76 1fye h ARG 109 Ca 0.34 -0.38 -0.09 0.00 -1.10 0.00 0.00 59.98 58.76 1fye h ARG 109 Cb 0.14 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1fye h ARG 109 CO -0.16 1.01 -0.05 0.28 2.80 0.00 0.00 179.97 183.85 1fye h VAL 110 N 0.69 1.27 -0.37 0.20 2.07 -1.10 -2.21 116.25 116.80 1fye h VAL 110 Ca 0.08 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1fye h VAL 110 Cb 0.84 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1fye h VAL 110 CO 0.07 0.40 0.25 0.11 0.02 0.00 0.00 177.57 178.43 1fye h LYS 111 N 0.76 0.36 -0.27 1.57 1.57 -0.54 -0.93 116.57 119.09 1fye h LYS 111 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1fye h LYS 111 Cb 0.59 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1fye h LYS 111 CO 0.04 0.24 0.00 0.54 -0.57 0.00 0.00 179.45 179.70 1fye n ARG 112 N -4.48 1.58 0.00 3.15 1.74 -0.15 -4.88 116.66 113.61 1fye n ARG 112 Ca 0.04 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.28 1fye n ARG 112 Cb 0.17 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1fye n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fye n GLY 113 N 0.82 1.36 3.77 -0.13 0.00 -0.35 -5.05 105.19 105.62 1fye n GLY 113 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1fye n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fye s ALA 114 N -1.90 2.70 0.01 4.61 0.00 -0.88 -4.85 121.76 121.44 1fye s ALA 114 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 1fye s ALA 114 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1fye s ALA 114 CO 0.00 -0.77 1.02 -1.17 0.00 0.00 0.00 175.76 174.84 1fye s LEU 115 N -3.80 4.37 -0.22 0.00 2.96 -0.44 -4.50 118.68 117.06 1fye s LEU 115 Ca 0.73 1.72 -0.09 0.00 -0.22 0.00 0.00 54.13 56.27 1fye s LEU 115 Cb -0.24 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 1fye s LEU 115 CO 0.27 -0.29 0.10 -0.47 -1.32 0.00 0.00 176.35 174.64 1fye s TYR 116 N 1.01 3.24 -0.14 5.38 5.04 -0.53 -0.62 117.35 130.73 1fye s TYR 116 Ca 0.53 0.04 0.02 0.00 -2.44 0.00 0.00 57.07 55.23 1fye s TYR 116 Cb -0.22 -2.18 0.01 0.00 0.35 0.00 0.00 41.96 39.92 1fye s TYR 116 CO 0.28 0.03 -0.21 0.42 -1.34 0.00 0.00 175.55 174.73 1fye s ILE 117 N 0.84 2.09 0.01 3.14 1.01 0.01 -0.32 121.20 127.99 1fye s ILE 117 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1fye s ILE 117 Cb -0.13 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1fye s ILE 117 CO 0.02 0.55 -0.01 -0.83 0.00 0.00 0.00 174.94 174.67 1fye s GLY 118 N 0.85 0.07 0.09 6.18 0.00 -0.32 -0.51 107.32 113.68 1fye s GLY 118 Ca -0.06 -0.17 0.07 0.00 0.00 0.00 0.00 44.72 44.56 1fye s GLY 118 CO -0.03 -0.19 -0.18 0.66 0.00 0.00 0.00 173.10 173.36 1fye s TRP 119 N -0.42 1.56 0.00 1.90 -2.14 -1.04 -0.56 118.94 118.24 1fye s TRP 119 Ca -0.05 -0.44 0.00 0.00 2.66 0.00 0.00 56.10 58.28 1fye s TRP 119 Cb -0.03 -0.86 0.00 0.00 -3.10 0.00 0.00 33.47 29.48 1fye s TRP 119 CO -0.00 0.15 0.00 0.45 -2.66 0.00 0.00 176.95 174.88 1fye n SER 120 N 1.15 0.00 -0.21 -2.66 2.88 -0.35 -0.59 113.62 113.84 1fye n SER 120 Ca -0.20 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.53 1fye n SER 120 Cb 0.54 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.53 1fye n SER 120 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fye h ALA 121 N -0.87 2.23 0.00 -1.46 0.00 -1.80 0.11 119.26 117.48 1fye h ALA 121 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1fye h ALA 121 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1fye h ALA 121 CO 0.00 -0.48 -0.28 0.78 0.00 0.00 0.00 179.25 179.27 1fye h GLY 122 N 0.37 0.00 1.14 0.00 0.00 -0.88 -1.25 103.07 102.45 1fye h GLY 122 Ca 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.57 1fye h GLY 122 CO -0.14 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.82 1fye h ALA 123 N 1.72 0.42 -0.78 3.60 0.00 -0.85 -3.22 119.26 120.15 1fye h ALA 123 Ca -0.00 -0.53 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1fye h ALA 123 Cb 0.82 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1fye h ALA 123 CO 0.04 0.66 0.45 -0.91 0.00 0.00 0.00 179.25 179.49 1fye h ASN 124 N 0.62 0.67 0.21 0.00 -0.26 -0.91 -2.60 115.58 113.32 1fye h ASN 124 Ca 0.00 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 1fye h ASN 124 Cb 1.19 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 38.35 1fye h ASN 124 CO 0.13 0.41 -0.08 0.25 -1.06 0.00 0.00 177.43 177.08 1fye h LEU 125 N 0.80 0.00 -0.72 1.61 5.85 -1.25 -1.92 115.31 119.69 1fye h LEU 125 Ca 0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1fye h LEU 125 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1fye h LEU 125 CO -0.21 0.08 0.00 0.00 -0.34 0.00 0.00 178.44 177.98 1fye h ALA 126 N 1.92 1.00 -2.01 1.25 0.00 -1.52 0.22 119.26 120.12 1fye h ALA 126 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1fye h ALA 126 Cb 0.21 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.14 1fye h ALA 126 CO 0.01 0.00 0.36 0.00 0.00 0.00 0.00 179.25 179.62 1fye h PRO 128 N -1.32 0.49 -4.14 0.00 0.11 -1.79 -0.61 132.00 124.75 1fye h PRO 128 Ca -0.43 -0.09 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 1fye h PRO 128 Cb 1.26 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 1fye h PRO 128 CO 0.44 0.49 -0.36 0.95 -0.21 0.00 0.00 178.00 179.31 1fye s THR 129 N -5.04 0.00 -0.37 -1.15 -4.23 -1.26 -0.89 115.64 102.69 1fye s THR 129 Ca -0.07 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 58.81 1fye s THR 129 Cb 0.16 -2.37 0.63 0.00 1.34 0.00 0.00 72.50 72.26 1fye s THR 129 CO 0.75 0.00 1.63 2.30 -0.54 0.00 0.00 174.62 178.76 1fye n ILE 130 N -0.34 2.51 0.35 2.99 -5.35 -0.17 -4.61 119.36 114.73 1fye n ILE 130 Ca 0.00 -1.33 0.11 0.00 -0.27 0.00 0.00 62.75 61.26 1fye n ILE 130 Cb 0.64 -0.42 0.48 0.00 -1.74 0.00 0.00 39.64 38.60 1fye n ILE 130 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1fye n ARG 131 N -0.04 0.16 -0.66 6.28 1.74 -1.26 -2.11 116.66 120.77 1fye n ARG 131 Ca 0.34 0.45 0.04 0.00 -0.77 0.00 0.00 57.85 57.91 1fye n ARG 131 Cb 1.22 -1.85 0.28 0.00 -1.02 0.00 0.00 32.46 31.09 1fye n ARG 131 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1fye n THR 132 N -2.16 2.51 -2.14 0.55 -2.24 -1.26 -4.99 114.28 104.55 1fye n THR 132 Ca 0.01 -1.88 -0.34 0.00 -2.27 0.00 0.00 64.05 59.58 1fye n THR 132 Cb 0.18 -0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.13 1fye n THR 132 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1fye s THR 133 N -2.91 3.52 -1.71 4.28 -1.32 -0.90 -4.38 115.64 112.23 1fye s THR 133 Ca 0.47 0.82 0.26 0.00 -1.21 0.00 0.00 61.69 62.02 1fye s THR 133 Cb 0.38 -3.31 0.22 0.00 -1.51 0.00 0.00 72.50 68.28 1fye s THR 133 CO 0.10 -0.33 1.52 0.59 -2.21 0.00 0.00 174.62 174.28 1fye n ASN 134 N -1.72 1.05 -4.82 8.08 3.02 -1.26 -4.99 115.26 114.62 1fye n ASN 134 Ca 0.10 -0.88 -0.32 0.00 -0.03 0.00 0.00 54.58 53.45 1fye n ASN 134 Cb 0.52 0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.89 1fye n ASN 134 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1fye s ASP 135 N -2.54 5.74 0.30 6.41 1.01 -1.26 -5.03 116.67 121.29 1fye s ASP 135 Ca 0.23 1.69 -0.27 0.00 0.71 0.00 0.00 52.55 54.91 1fye s ASP 135 Cb 0.19 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 1fye s ASP 135 CO 0.54 -1.19 0.94 -0.32 0.21 0.00 0.00 175.17 175.35 1fye s MET 136 N -4.50 4.67 -1.41 8.23 1.75 -1.26 -4.95 119.30 121.83 1fye s MET 136 Ca 0.60 1.38 -0.15 0.00 -1.25 0.00 0.00 55.69 56.28 1fye s MET 136 Cb -0.14 -2.96 0.04 0.00 2.84 0.00 0.00 34.83 34.61 1fye s MET 136 CO 0.44 0.36 2.16 -0.35 -0.65 0.00 0.00 175.02 176.97 1fye n PRO 137 N 0.86 2.84 0.23 4.11 -0.04 -1.26 -4.73 135.00 137.02 1fye n PRO 137 Ca 0.01 -2.66 0.13 0.00 -0.04 0.00 0.00 63.50 60.95 1fye n PRO 137 Cb 0.49 -3.30 0.31 0.00 -0.04 0.00 0.00 33.50 30.95 1fye n PRO 137 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1fye h ILE 138 N 4.23 0.00 -3.83 0.52 3.07 -1.97 -3.43 117.51 116.10 1fye h ILE 138 Ca 0.55 -0.87 -0.16 0.00 1.55 0.00 0.00 64.86 65.93 1fye h ILE 138 Cb 0.67 1.87 -0.21 0.00 -0.27 0.00 0.00 36.82 38.88 1fye h ILE 138 CO 1.84 0.00 -0.63 0.68 -1.05 0.00 0.00 178.15 178.99 1fye s VAL 139 N -3.33 0.10 -0.29 0.16 -7.23 -1.26 -5.07 120.40 103.48 1fye s VAL 139 Ca 0.05 -0.85 -0.24 0.00 -1.81 0.00 0.00 61.98 59.13 1fye s VAL 139 Cb 0.06 -0.34 0.00 0.00 0.56 0.00 0.00 36.38 36.66 1fye s VAL 139 CO 0.64 -0.47 0.82 -0.62 -0.31 0.00 0.00 175.10 175.16 1fye s ASP 140 N -1.46 6.72 0.00 4.85 3.68 -1.26 -4.67 116.67 124.53 1fye s ASP 140 Ca -0.15 0.77 0.24 0.00 2.13 0.00 0.00 52.55 55.54 1fye s ASP 140 Cb -0.09 -2.42 1.22 0.00 -1.45 0.00 0.00 42.92 40.18 1fye s ASP 140 CO -0.00 -0.62 1.81 -0.81 0.13 0.00 0.00 175.17 175.68 1fye n PRO 141 N 6.22 1.26 -3.29 4.34 -0.04 -1.26 -4.85 135.00 137.39 1fye n PRO 141 Ca 0.05 -0.39 -0.15 0.00 -0.04 0.00 0.00 63.50 62.97 1fye n PRO 141 Cb 0.48 -1.39 0.08 0.00 -0.04 0.00 0.00 33.50 32.62 1fye n PRO 141 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1fye n ASN 142 N -0.45 -4.11 0.00 3.54 3.02 -1.26 -4.44 115.26 111.56 1fye n ASN 142 Ca 0.18 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 1fye n ASN 142 Cb 0.18 -4.99 0.00 0.00 -0.61 0.00 0.00 39.78 34.36 1fye n ASN 142 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fye n GLY 143 N -1.18 3.65 0.48 7.41 0.00 -1.26 -4.97 105.19 109.32 1fye n GLY 143 Ca -0.18 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.45 1fye n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fye n PHE 144 N -0.26 0.00 -2.10 1.61 0.99 -1.26 -4.94 117.46 111.50 1fye n PHE 144 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.06 1fye n PHE 144 Cb 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 39.48 38.44 1fye n PHE 144 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1fye s ASP 145 N -2.41 6.41 0.00 4.37 1.01 -1.26 -1.00 116.67 123.78 1fye s ASP 145 Ca 0.22 2.61 0.00 0.00 0.71 0.00 0.00 52.55 56.08 1fye s ASP 145 Cb 0.19 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1fye s ASP 145 CO 0.52 -0.78 0.00 0.00 0.21 0.00 0.00 175.17 175.13 1fye n ALA 146 N 0.21 0.00 0.20 5.23 0.00 -0.07 -4.84 120.51 121.24 1fye n ALA 146 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.55 1fye n ALA 146 Cb 0.44 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.20 1fye n ALA 146 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fye h LEU 147 N 0.00 0.00 0.75 0.00 3.38 -0.89 -3.47 115.31 115.08 1fye h LEU 147 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 1fye h LEU 147 Cb 0.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.82 1fye h LEU 147 CO 0.00 0.28 -0.58 -0.67 0.09 0.00 0.00 178.44 177.56 1fye n ASP 148 N -3.32 -5.92 -0.03 -0.43 4.64 -0.24 -4.85 116.55 106.41 1fye n ASP 148 Ca 0.01 -0.29 -0.16 0.00 -1.38 0.00 0.00 54.79 52.97 1fye n ASP 148 Cb 0.52 -4.72 -0.14 0.00 -1.04 0.00 0.00 41.12 35.74 1fye n ASP 148 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1fye n LEU 149 N -3.90 1.88 -4.41 -2.67 4.77 0.26 -4.82 117.00 108.11 1fye n LEU 149 Ca -0.10 0.22 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 1fye n LEU 149 Cb 0.61 -0.54 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 1fye n LEU 149 CO 0.46 0.68 -0.36 0.12 -1.33 0.00 0.00 177.39 176.97 1fye s PHE 150 N -2.56 3.00 -0.91 -1.77 2.19 -0.28 -5.03 117.98 112.62 1fye s PHE 150 Ca -0.17 -0.59 0.27 0.00 0.33 0.00 0.00 56.93 56.77 1fye s PHE 150 Cb 0.07 -2.07 1.06 0.00 -1.31 0.00 0.00 43.02 40.77 1fye s PHE 150 CO 0.77 -0.31 1.84 -0.35 1.83 0.00 0.00 175.22 179.00 1fye n PRO 151 N 4.30 0.08 -3.87 10.12 -0.04 -1.26 -3.61 135.00 140.73 1fye n PRO 151 Ca -0.17 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.17 1fye n PRO 151 Cb 0.52 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1fye n PRO 151 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fye s LEU 152 N -3.48 4.27 -0.17 1.53 1.43 -1.26 -4.73 118.68 116.27 1fye s LEU 152 Ca 0.12 0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 53.18 1fye s LEU 152 Cb 0.16 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1fye s LEU 152 CO 0.52 -0.10 0.53 -1.10 0.23 0.00 0.00 176.35 176.43 1fye s GLN 153 N -3.97 4.25 -0.19 1.70 -1.52 -0.27 -4.52 119.66 115.14 1fye s GLN 153 Ca 0.35 0.47 -0.11 0.00 -1.95 0.00 0.00 55.36 54.13 1fye s GLN 153 Cb -0.09 -3.52 -0.05 0.00 -0.22 0.00 0.00 33.01 29.13 1fye s GLN 153 CO 0.30 -0.05 0.16 0.42 -0.25 0.00 0.00 175.29 175.88 1fye s ILE 154 N 1.29 5.39 -0.50 1.08 1.01 -1.26 0.04 121.20 128.25 1fye s ILE 154 Ca 0.26 0.26 -0.10 0.00 0.00 0.00 0.00 60.65 61.07 1fye s ILE 154 Cb -0.15 -3.50 0.13 0.00 0.01 0.00 0.00 42.46 38.94 1fye s ILE 154 CO 0.10 0.44 0.39 0.21 0.00 0.00 0.00 174.94 176.09 1fye s ASN 155 N 0.30 5.81 0.96 3.58 3.84 0.83 -4.63 114.94 125.63 1fye s ASN 155 Ca 0.10 -1.97 -0.15 0.00 0.21 0.00 0.00 52.86 51.05 1fye s ASN 155 Cb -0.11 -2.05 0.18 0.00 -0.55 0.00 0.00 41.25 38.72 1fye s ASN 155 CO -0.00 -0.70 1.24 -2.16 -2.79 0.00 0.00 177.10 172.68 1fye s PRO 156 N 1.29 0.71 -1.40 0.43 0.04 -1.26 -1.18 135.00 133.63 1fye s PRO 156 Ca 0.06 -0.16 -0.04 0.00 0.04 0.00 0.00 61.00 60.90 1fye s PRO 156 Cb -0.26 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1fye s PRO 156 CO -0.01 -2.41 0.30 0.72 0.04 0.00 0.00 177.00 175.65 1fye n HIS 157 N -3.82 -1.60 -2.22 0.56 8.25 -0.95 -4.81 115.22 110.62 1fye n HIS 157 Ca 0.12 0.27 -0.42 0.00 -0.26 0.00 0.00 57.72 57.44 1fye n HIS 157 Cb 0.60 -3.56 -0.03 0.00 1.12 0.00 0.00 29.99 28.12 1fye n HIS 157 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1fye s PHE 158 N -2.94 3.27 -0.20 4.41 5.36 -0.69 -4.77 117.98 122.41 1fye s PHE 158 Ca 0.19 1.13 -0.23 0.00 -0.96 0.00 0.00 56.93 57.06 1fye s PHE 158 Cb -0.09 -3.61 0.06 0.00 -0.34 0.00 0.00 43.02 39.03 1fye s PHE 158 CO 0.23 -2.01 0.63 -0.08 -1.46 0.00 0.00 175.22 172.53 1fye s THR 159 N 0.58 0.00 -0.01 0.12 -1.32 -1.26 -4.33 115.64 109.42 1fye s THR 159 Ca 0.60 -0.02 -0.05 0.00 -1.21 0.00 0.00 61.69 61.01 1fye s THR 159 Cb -0.36 -0.89 -0.04 0.00 -1.51 0.00 0.00 72.50 69.70 1fye s THR 159 CO 0.34 -0.01 0.22 0.21 -2.21 0.00 0.00 174.62 173.17 1fye s ASN 160 N 0.07 6.43 0.09 8.08 2.47 -1.26 -4.52 114.94 126.29 1fye s ASN 160 Ca -0.02 0.45 -0.25 0.00 0.42 0.00 0.00 52.86 53.46 1fye s ASN 160 Cb -0.04 -2.05 0.07 0.00 -1.45 0.00 0.00 41.25 37.78 1fye s ASN 160 CO 0.02 0.27 0.60 0.28 -3.72 0.00 0.00 177.10 174.56 1fye s THR 170 N -1.29 0.01 0.12 -5.21 -1.32 -1.26 -4.91 115.64 101.78 1fye s THR 170 Ca 0.26 -0.05 -0.14 0.00 -1.21 0.00 0.00 61.69 60.54 1fye s THR 170 Cb -0.13 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1fye s THR 170 CO 0.16 -0.03 1.55 -0.09 -2.21 0.00 0.00 174.62 174.01 1fye h ARG 171 N 2.37 0.72 -0.74 7.08 9.65 -2.00 -1.65 114.38 129.82 1fye h ARG 171 Ca -0.32 -0.25 -0.02 0.00 -1.10 0.00 0.00 59.98 58.29 1fye h ARG 171 Cb 1.25 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.74 1fye h ARG 171 CO 0.39 0.83 0.36 1.49 2.80 0.00 0.00 179.97 185.85 1fye h GLU 172 N 0.54 1.04 -0.52 0.20 4.81 -1.91 -1.03 114.58 117.72 1fye h GLU 172 Ca 0.11 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1fye h GLU 172 Cb 0.53 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1fye h GLU 172 CO 0.03 0.79 0.08 1.96 -0.73 0.00 0.00 179.01 181.14 1fye h GLN 173 N 1.04 0.83 -0.67 1.92 4.20 -1.84 0.15 115.11 120.74 1fye h GLN 173 Ca 0.26 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1fye h GLN 173 Cb 0.09 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1fye h GLN 173 CO -0.03 0.78 0.14 0.00 -0.67 0.00 0.00 178.83 179.05 1fye h ARG 174 N 0.79 1.08 -0.65 1.46 3.08 -0.76 -1.66 114.38 117.71 1fye h ARG 174 Ca 0.16 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 1fye h ARG 174 Cb 0.37 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1fye h ARG 174 CO 0.01 0.98 0.17 0.82 -1.07 0.00 0.00 179.97 180.87 1fye h ILE 175 N 1.01 1.25 -0.39 2.04 2.04 -0.63 -2.47 117.51 120.36 1fye h ILE 175 Ca 0.21 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1fye h ILE 175 Cb 0.40 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1fye h ILE 175 CO 0.01 0.35 0.12 0.03 0.00 0.00 0.00 178.15 178.65 1fye h ARG 176 N 0.97 0.57 -0.56 2.37 2.47 -0.36 -0.60 114.38 119.25 1fye h ARG 176 Ca 0.21 -0.09 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 1fye h ARG 176 Cb 0.33 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 1fye h ARG 176 CO -0.00 0.51 0.11 0.93 0.56 0.00 0.00 179.97 182.08 1fye h GLU 177 N 0.56 0.90 -0.86 0.04 5.08 -0.88 -2.00 114.58 117.42 1fye h GLU 177 Ca 0.13 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1fye h GLU 177 Cb 0.18 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1fye h GLU 177 CO -0.01 0.86 0.51 1.25 -1.00 0.00 0.00 179.01 180.62 1fye h LEU 178 N 0.80 0.75 -0.83 1.33 5.85 -0.94 -2.03 115.31 120.24 1fye h LEU 178 Ca 0.17 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1fye h LEU 178 Cb 0.37 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1fye h LEU 178 CO 0.01 0.43 0.00 -0.07 -0.34 0.00 0.00 178.44 178.46 1fye h LEU 179 N 0.86 0.00 -0.08 2.25 3.38 -0.52 0.29 115.31 121.49 1fye h LEU 179 Ca 0.41 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.32 1fye h LEU 179 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1fye h LEU 179 CO -0.24 0.00 -0.21 0.58 0.09 0.00 0.00 178.44 178.66 1fye h VAL 180 N 0.00 1.41 0.00 1.22 2.07 -0.68 -2.95 116.25 117.32 1fye h VAL 180 Ca 0.00 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 1fye h VAL 180 Cb 0.44 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1fye h VAL 180 CO 0.00 0.44 -0.17 -0.37 0.02 0.00 0.00 177.57 177.49 1fye h VAL 181 N -0.19 0.29 -2.10 2.57 -1.51 -1.05 -3.37 116.25 110.89 1fye h VAL 181 Ca -0.00 -1.37 -0.57 0.00 -1.23 0.00 0.00 66.70 63.52 1fye h VAL 181 Cb 0.81 2.11 -0.39 0.00 -2.13 0.00 0.00 31.29 31.69 1fye h VAL 181 CO 0.05 0.16 -1.00 0.00 -1.23 0.00 0.00 177.57 175.54 1fye n ALA 182 N -2.14 2.75 0.34 5.19 0.00 0.96 -4.98 120.51 122.63 1fye n ALA 182 Ca 0.03 -3.60 0.06 0.00 0.00 0.00 0.00 53.44 49.93 1fye n ALA 182 Cb 0.59 -0.82 0.28 0.00 0.00 0.00 0.00 19.45 19.49 1fye n ALA 182 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1fye n PRO 183 N 1.50 0.04 0.00 0.00 -0.04 -1.11 -2.45 135.00 132.94 1fye n PRO 183 Ca 0.23 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 1fye n PRO 183 Cb 0.50 -1.59 0.46 0.00 -0.04 0.00 0.00 33.50 32.83 1fye n PRO 183 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1fye n GLU 184 N -1.67 0.31 -2.80 0.54 0.00 -1.26 -4.37 120.64 111.39 1fye n GLU 184 Ca 0.02 -0.13 -0.33 0.00 0.00 0.00 0.00 57.16 56.72 1fye n GLU 184 Cb 0.13 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.00 1fye n GLU 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1fye s LEU 185 N -2.78 3.92 -0.20 -1.84 1.43 -1.03 -5.03 118.68 113.16 1fye s LEU 185 Ca 0.19 1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1fye s LEU 185 Cb 0.19 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.87 1fye s LEU 185 CO 0.57 -0.37 -0.02 -0.89 0.23 0.00 0.00 176.35 175.87 1fye s THR 186 N -2.20 3.70 -0.17 5.49 2.01 -1.26 -4.36 115.64 118.85 1fye s THR 186 Ca 0.62 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 1fye s THR 186 Cb -0.09 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 1fye s THR 186 CO 0.14 0.43 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 1fye s VAL 187 N 1.14 3.26 -0.33 3.82 1.01 -0.15 -1.12 120.40 128.02 1fye s VAL 187 Ca 0.02 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1fye s VAL 187 Cb -0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1fye s VAL 187 CO 0.00 0.48 0.23 -0.63 0.00 0.00 0.00 175.10 175.18 1fye s ILE 188 N 0.78 5.18 -0.68 2.22 1.01 0.11 -0.43 121.20 129.40 1fye s ILE 188 Ca -0.03 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 1fye s ILE 188 Cb -0.15 -3.65 0.06 0.00 0.01 0.00 0.00 42.46 38.73 1fye s ILE 188 CO 0.01 0.01 1.04 -0.83 0.00 0.00 0.00 174.94 175.18 1fye s GLY 189 N 1.71 1.25 -0.46 6.18 0.00 0.15 -0.12 107.32 116.03 1fye s GLY 189 Ca 0.06 -1.73 -0.16 0.00 0.00 0.00 0.00 44.72 42.90 1fye s GLY 189 CO 0.10 2.21 0.38 -2.27 0.00 0.00 0.00 173.10 173.52 1fye s LEU 190 N 4.48 5.46 0.79 0.66 2.96 -0.32 -1.97 118.68 130.74 1fye s LEU 190 Ca 0.25 -1.20 -0.11 0.00 -0.22 0.00 0.00 54.13 52.86 1fye s LEU 190 Cb -0.15 -2.19 0.07 0.00 0.50 0.00 0.00 46.19 44.42 1fye s LEU 190 CO 0.11 -0.61 1.09 -2.16 -1.32 0.00 0.00 176.35 173.46 1fye s PRO 191 N 1.70 2.13 0.50 0.98 0.04 -1.26 -1.71 135.00 137.38 1fye s PRO 191 Ca 0.05 1.02 -0.22 0.00 0.04 0.00 0.00 61.00 61.89 1fye s PRO 191 Cb -0.23 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1fye s PRO 191 CO 0.08 -1.69 1.11 0.39 0.04 0.00 0.00 177.00 176.93 1fye n GLU 192 N -3.53 1.40 0.00 4.56 1.02 -1.26 -2.03 120.64 120.79 1fye n GLU 192 Ca 0.08 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1fye n GLU 192 Cb 0.54 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 1fye n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fye n GLY 193 N 1.06 1.58 3.76 0.62 0.00 -1.26 -4.75 105.19 106.20 1fye n GLY 193 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1fye n GLY 193 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fye s ASN 194 N -2.22 4.57 0.25 1.61 -0.87 -0.86 -4.34 114.94 113.07 1fye s ASN 194 Ca 0.00 -0.98 -0.19 0.00 -1.57 0.00 0.00 52.86 50.12 1fye s ASN 194 Cb 0.00 -0.53 0.02 0.00 -0.02 0.00 0.00 41.25 40.72 1fye s ASN 194 CO 0.00 -0.53 0.62 -1.66 -2.57 0.00 0.00 177.10 172.97 1fye s TRP 195 N -2.55 -0.08 -0.11 2.20 -2.14 -0.28 -1.42 118.94 114.56 1fye s TRP 195 Ca 0.42 -0.32 0.01 0.00 2.66 0.00 0.00 56.10 58.87 1fye s TRP 195 Cb 0.02 0.53 0.02 0.00 -3.10 0.00 0.00 33.47 30.93 1fye s TRP 195 CO 0.24 -1.10 -0.14 0.42 -2.66 0.00 0.00 176.95 173.70 1fye s ILE 196 N -3.92 1.44 -0.26 0.66 1.01 0.30 -1.07 121.20 119.35 1fye s ILE 196 Ca 0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1fye s ILE 196 Cb -0.04 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1fye s ILE 196 CO 0.04 0.43 0.00 -1.58 0.00 0.00 0.00 174.94 173.83 1fye s GLN 197 N 1.12 3.07 -0.32 2.79 0.74 0.01 -0.77 119.66 126.30 1fye s GLN 197 Ca -0.04 -0.84 -0.11 0.00 0.05 0.00 0.00 55.36 54.42 1fye s GLN 197 Cb -0.14 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 1fye s GLN 197 CO -0.03 -0.37 0.18 0.08 -0.55 0.00 0.00 175.29 174.60 1fye s VAL 198 N 1.43 4.85 -0.10 1.34 1.01 0.83 -0.96 120.40 128.79 1fye s VAL 198 Ca 0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1fye s VAL 198 Cb -0.16 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1fye s VAL 198 CO -0.01 0.04 0.36 -0.55 0.00 0.00 0.00 175.10 174.93 1fye s SER 199 N 1.65 -0.34 -1.19 3.32 0.15 0.10 -1.25 113.70 116.15 1fye s SER 199 Ca 0.05 0.57 -0.10 0.00 0.70 0.00 0.00 55.95 57.17 1fye s SER 199 Cb -0.17 0.63 0.08 0.00 -1.71 0.00 0.00 66.02 64.85 1fye s SER 199 CO 0.08 -0.22 0.42 -3.20 1.20 0.00 0.00 173.24 171.52 1fye n ASN 200 N 2.43 -3.13 -0.31 5.45 5.15 -1.26 -1.66 115.26 121.93 1fye n ASN 200 Ca -0.15 -0.36 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 1fye n ASN 200 Cb 0.57 -2.63 0.00 0.00 -0.53 0.00 0.00 39.78 37.19 1fye n ASN 200 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fye n GLY 201 N -1.06 0.97 3.64 8.20 0.00 -1.26 -5.07 105.19 110.62 1fye n GLY 201 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 1fye n GLY 201 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fye s GLN 202 N -3.10 0.65 -0.34 1.61 2.00 -0.66 -5.12 119.66 114.70 1fye s GLN 202 Ca 0.00 1.31 -0.11 0.00 -2.00 0.00 0.00 55.36 54.56 1fye s GLN 202 Cb 0.00 0.45 -0.01 0.00 0.80 0.00 0.00 33.01 34.26 1fye s GLN 202 CO 0.00 -0.17 0.20 0.00 -0.50 0.00 0.00 175.29 174.83 1fye s ALA 203 N 2.17 3.39 -0.09 1.58 0.00 -1.26 -0.72 121.76 126.83 1fye s ALA 203 Ca -0.08 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.48 1fye s ALA 203 Cb -0.08 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 1fye s ALA 203 CO -0.19 -1.01 -0.22 0.08 0.00 0.00 0.00 175.76 174.41 1fye s VAL 204 N 1.66 2.25 0.25 0.00 1.01 -0.14 -1.07 120.40 124.36 1fye s VAL 204 Ca 0.05 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 1fye s VAL 204 Cb -0.17 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 1fye s VAL 204 CO 0.08 0.56 0.90 -0.22 0.00 0.00 0.00 175.10 176.43 1fye s LEU 205 N 0.14 4.55 0.10 3.92 2.96 -0.18 -0.81 118.68 129.36 1fye s LEU 205 Ca -0.12 1.84 -0.04 0.00 -0.22 0.00 0.00 54.13 55.60 1fye s LEU 205 Cb -0.16 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 1fye s LEU 205 CO 0.07 0.11 0.09 -0.83 -1.32 0.00 0.00 176.35 174.47 1fye s GLY 206 N -1.31 0.55 0.00 7.98 0.00 -0.23 -0.66 107.32 113.65 1fye s GLY 206 Ca 0.42 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1fye s GLY 206 CO 0.28 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.85 1fye n GLY 207 N -0.04 2.66 0.15 0.20 0.00 -1.26 -1.12 105.19 105.78 1fye n GLY 207 Ca -0.11 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 43.97 1fye n GLY 207 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fye n PRO 208 N -0.57 0.50 -3.15 1.61 -0.04 -1.26 -4.62 135.00 127.48 1fye n PRO 208 Ca 0.00 -0.30 -0.18 0.00 -0.04 0.00 0.00 63.50 62.98 1fye n PRO 208 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1fye n PRO 208 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1fye s ASN 209 N -2.71 5.47 -0.06 3.54 0.01 -1.26 -5.06 114.94 114.88 1fye s ASN 209 Ca 0.19 -0.53 -0.27 0.00 -0.71 0.00 0.00 52.86 51.53 1fye s ASN 209 Cb 0.18 -0.57 -0.03 0.00 0.41 0.00 0.00 41.25 41.25 1fye s ASN 209 CO 0.60 -0.78 0.88 -0.89 -1.51 0.00 0.00 177.10 175.41 1fye s THR 210 N -2.40 4.91 0.01 1.60 2.01 -1.26 -4.88 115.64 115.62 1fye s THR 210 Ca 0.54 1.82 -0.05 0.00 0.31 0.00 0.00 61.69 64.30 1fye s THR 210 Cb -0.08 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1fye s THR 210 CO 0.32 0.14 0.25 -0.89 -0.69 0.00 0.00 174.62 173.75 1fye s THR 211 N 1.29 5.34 0.09 -0.82 2.01 -1.22 -4.48 115.64 117.85 1fye s THR 211 Ca 0.45 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.59 1fye s THR 211 Cb -0.19 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1fye s THR 211 CO 0.21 0.33 -0.22 0.26 -0.69 0.00 0.00 174.62 174.52 1fye s TRP 212 N -1.33 1.86 -0.00 4.92 0.52 -0.83 -0.41 118.94 123.66 1fye s TRP 212 Ca 0.28 -0.40 0.07 0.00 0.02 0.00 0.00 56.10 56.06 1fye s TRP 212 Cb -0.13 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1fye s TRP 212 CO 0.17 0.19 -0.22 0.08 0.02 0.00 0.00 176.95 177.20 1fye s VAL 213 N -1.07 1.71 -0.11 4.03 1.01 0.05 0.31 120.40 126.32 1fye s VAL 213 Ca 0.07 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1fye s VAL 213 Cb -0.10 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1fye s VAL 213 CO 0.04 0.43 -0.16 -0.36 0.00 0.00 0.00 175.10 175.05 1fye s PHE 214 N -0.56 2.08 0.13 5.22 0.40 0.43 -1.95 117.98 123.73 1fye s PHE 214 Ca 0.08 -0.99 0.06 0.00 -0.60 0.00 0.00 56.93 55.48 1fye s PHE 214 Cb -0.08 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1fye s PHE 214 CO -0.00 -0.50 -0.14 0.15 0.70 0.00 0.00 175.22 175.43 1fye s LYS 215 N 0.97 1.06 0.19 0.44 1.02 -1.26 -0.98 119.74 121.18 1fye s LYS 215 Ca -0.06 -1.29 -0.32 0.00 0.02 0.00 0.00 55.97 54.31 1fye s LYS 215 Cb -0.15 -0.92 -0.11 0.00 -0.52 0.00 0.00 37.83 36.13 1fye s LYS 215 CO -0.02 0.17 1.71 0.00 -0.92 0.00 0.00 175.35 176.29 1fye s ALA 216 N -2.31 3.89 0.00 5.17 0.00 -1.26 -1.54 121.76 125.72 1fye s ALA 216 Ca 0.11 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1fye s ALA 216 Cb -0.04 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1fye s ALA 216 CO 0.03 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1fye n GLY 217 N 3.98 1.26 3.45 0.00 0.00 -1.26 -4.99 105.19 107.63 1fye n GLY 217 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1fye n GLY 217 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fye s GLU 218 N -0.03 3.00 0.68 1.61 2.02 -0.59 -5.10 118.70 120.30 1fye s GLU 218 Ca 0.00 -0.65 -0.17 0.00 0.02 0.00 0.00 54.97 54.17 1fye s GLU 218 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1fye s GLU 218 CO 0.00 0.43 1.23 0.39 0.02 0.00 0.00 175.26 177.33 1fye n GLU 219 N 2.90 0.90 -1.78 1.61 -0.58 -1.26 -4.37 120.64 118.05 1fye n GLU 219 Ca -0.18 0.37 -0.41 0.00 -0.42 0.00 0.00 57.16 56.52 1fye n GLU 219 Cb 0.53 -2.47 -0.01 0.00 -0.57 0.00 0.00 31.44 28.92 1fye n GLU 219 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fye s ALA 220 N -1.55 3.65 -0.15 0.62 0.00 -1.26 -4.80 121.76 118.28 1fye s ALA 220 Ca 0.80 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.36 1fye s ALA 220 Cb -0.36 -3.63 -0.00 0.00 0.00 0.00 0.00 23.12 19.12 1fye s ALA 220 CO 0.43 -1.05 -0.16 0.08 0.00 0.00 0.00 175.76 175.07 1fye s VAL 221 N -0.65 2.67 -0.00 0.00 1.01 -0.82 -4.94 120.40 117.67 1fye s VAL 221 Ca 0.57 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 1fye s VAL 221 Cb -0.47 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1fye s VAL 221 CO 0.57 0.52 0.72 0.00 0.00 0.00 0.00 175.10 176.91 1fye s ALA 222 N 0.71 3.37 -0.03 5.51 0.00 -1.26 -0.77 121.76 129.29 1fye s ALA 222 Ca -0.07 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.12 1fye s ALA 222 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1fye s ALA 222 CO 0.01 0.02 -0.10 -0.51 0.00 0.00 0.00 175.76 175.18 1fye s LEU 223 N 0.23 2.97 0.21 0.00 1.43 0.46 -5.00 118.68 118.99 1fye s LEU 223 Ca 0.37 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1fye s LEU 223 Cb -0.19 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 1fye s LEU 223 CO 0.20 0.33 0.47 -1.83 0.23 0.00 0.00 176.35 175.75 1fye s GLU 224 N -1.01 3.66 0.22 1.70 1.03 -1.26 -3.39 118.70 119.65 1fye s GLU 224 Ca 0.14 0.01 -0.32 0.00 0.03 0.00 0.00 54.97 54.83 1fye s GLU 224 Cb -0.11 -2.74 -0.14 0.00 -0.80 0.00 0.00 34.13 30.34 1fye s GLU 224 CO 0.03 0.35 1.32 0.00 -1.33 0.00 0.00 175.26 175.63 1fye n ALA 225 N -0.34 0.48 -0.02 -0.84 0.00 -1.26 -0.89 120.51 117.63 1fye n ALA 225 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1fye n ALA 225 Cb 0.53 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1fye n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fye n GLY 226 N 2.09 0.91 3.68 0.00 0.00 0.16 -5.00 105.19 107.03 1fye n GLY 226 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1fye n GLY 226 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1fye n HIS 227 N -2.00 2.18 -4.23 1.61 -0.00 -0.07 -4.66 115.22 108.05 1fye n HIS 227 Ca 0.00 0.52 -0.34 0.00 0.46 0.00 0.00 57.72 58.36 1fye n HIS 227 Cb 0.00 -2.42 -0.12 0.00 -0.12 0.00 0.00 29.99 27.33 1fye n HIS 227 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1fye s ARG 228 N -1.35 3.72 0.00 1.57 0.52 -1.26 -1.01 118.95 121.13 1fye s ARG 228 Ca 0.60 -0.48 0.24 0.00 -0.52 0.00 0.00 55.73 55.56 1fye s ARG 228 Cb -0.60 -3.02 1.42 0.00 0.52 0.00 0.00 34.95 33.26 1fye s ARG 228 CO 0.58 0.18 1.78 1.19 0.02 0.00 0.00 175.30 179.05