#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgj s PRO 5 N 0.00 2.64 0.54 0.54 0.04 -1.26 -4.90 135.00 132.60 1sgj s PRO 5 Ca 0.00 1.06 0.34 0.00 0.04 0.00 0.00 61.00 62.45 1sgj s PRO 5 Cb 0.00 -1.95 1.48 0.00 0.04 0.00 0.00 34.50 34.07 1sgj s PRO 5 CO 0.00 -1.34 2.01 0.00 0.04 0.00 0.00 177.00 177.71 1sgj h ALA 6 N -0.86 1.00 -3.05 8.56 0.00 -2.03 -3.41 119.26 119.48 1sgj h ALA 6 Ca -0.44 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.81 1sgj h ALA 6 Cb 1.22 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.72 1sgj h ALA 6 CO 0.54 0.00 -0.74 -1.17 0.00 0.00 0.00 179.25 177.88 1sgj s LEU 7 N -6.03 2.87 -0.22 0.00 2.96 -1.26 -4.65 118.68 112.35 1sgj s LEU 7 Ca 0.01 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1sgj s LEU 7 Cb 0.09 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 45.13 1sgj s LEU 7 CO 0.51 -0.04 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.61 1sgj s LEU 8 N 1.43 2.77 0.10 -0.68 1.43 -1.26 -4.99 118.68 117.49 1sgj s LEU 8 Ca 0.05 -1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1sgj s LEU 8 Cb -0.15 -1.44 -0.22 0.00 0.03 0.00 0.00 46.19 44.41 1sgj s LEU 8 CO -0.05 -0.13 1.22 0.03 0.23 0.00 0.00 176.35 177.66 1sgj h ARG 9 N 7.87 0.20 -3.90 1.70 3.08 -1.93 -3.31 114.38 118.09 1sgj h ARG 9 Ca -0.29 -0.31 -0.27 0.00 0.07 0.00 0.00 59.98 59.18 1sgj h ARG 9 Cb 1.08 0.11 -0.29 0.00 0.08 0.00 0.00 29.97 30.96 1sgj h ARG 9 CO 0.51 1.12 -0.73 -1.54 -1.07 0.00 0.00 179.97 178.26 1sgj s SER 10 N -7.01 0.22 -0.22 7.04 1.04 -1.26 -1.04 113.70 112.47 1sgj s SER 10 Ca -0.03 -0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 1sgj s SER 10 Cb 0.08 -0.04 0.07 0.00 0.10 0.00 0.00 66.02 66.23 1sgj s SER 10 CO 0.86 0.01 0.04 -0.69 0.98 0.00 0.00 173.24 174.43 1sgj s VAL 11 N 0.07 0.72 -0.14 5.02 1.01 -1.10 -2.18 120.40 123.81 1sgj s VAL 11 Ca -0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1sgj s VAL 11 Cb -0.02 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1sgj s VAL 11 CO -0.00 -0.30 0.26 -0.22 0.00 0.00 0.00 175.10 174.84 1sgj s LEU 12 N 1.75 4.29 0.09 3.92 2.96 -0.60 0.50 118.68 131.59 1sgj s LEU 12 Ca 0.01 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1sgj s LEU 12 Cb -0.17 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1sgj s LEU 12 CO -0.12 0.19 0.23 -0.36 -1.32 0.00 0.00 176.35 174.98 1sgj s PHE 13 N -0.01 3.50 -0.05 5.38 0.08 -0.67 -0.21 117.98 126.00 1sgj s PHE 13 Ca 0.16 0.20 -0.09 0.00 0.12 0.00 0.00 56.93 57.32 1sgj s PHE 13 Cb -0.13 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1sgj s PHE 13 CO 0.04 0.56 0.21 0.00 -0.10 0.00 0.00 175.22 175.94 1sgj s ALA 14 N -1.59 -0.52 0.26 5.36 0.00 -0.52 -4.81 121.76 119.95 1sgj s ALA 14 Ca 0.35 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1sgj s ALA 14 Cb -0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 22.73 1sgj s ALA 14 CO 0.28 -0.16 1.52 -2.14 0.00 0.00 0.00 175.76 175.27 1sgj s PRO 15 N -0.53 4.20 0.19 0.00 0.02 -1.26 -0.77 135.00 136.85 1sgj s PRO 15 Ca -0.06 2.43 0.19 0.00 0.02 0.00 0.00 61.00 63.58 1sgj s PRO 15 Cb -0.04 -3.07 0.85 0.00 0.02 0.00 0.00 34.50 32.25 1sgj s PRO 15 CO 0.01 -0.53 1.57 0.41 -0.33 0.00 0.00 177.00 178.13 1sgj n GLY 16 N 2.33 -1.04 1.29 0.52 0.00 0.14 -2.51 105.19 105.93 1sgj n GLY 16 Ca 0.08 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1sgj n GLY 16 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sgj n ASN 17 N -2.02 4.54 -3.78 1.61 6.94 -1.26 -2.85 115.26 118.45 1sgj n ASN 17 Ca 0.01 -2.84 -0.30 0.00 -0.02 0.00 0.00 54.58 51.44 1sgj n ASN 17 Cb 0.15 -0.57 -0.13 0.00 -2.36 0.00 0.00 39.78 36.86 1sgj n ASN 17 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1sgj s ARG 18 N -2.54 1.47 0.49 -3.83 1.81 -1.05 -4.97 118.95 110.34 1sgj s ARG 18 Ca 0.46 -2.17 0.18 0.00 -1.72 0.00 0.00 55.73 52.48 1sgj s ARG 18 Cb 0.35 -2.60 1.21 0.00 -0.45 0.00 0.00 34.95 33.46 1sgj s ARG 18 CO 0.14 -1.15 2.03 0.00 -0.68 0.00 0.00 175.30 175.65 1sgj h ALA 19 N 6.68 2.17 -0.11 2.13 0.00 -1.87 -1.65 119.26 126.61 1sgj h ALA 19 Ca -0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1sgj h ALA 19 Cb 0.92 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1sgj h ALA 19 CO 0.54 -0.27 -0.49 0.38 0.00 0.00 0.00 179.25 179.41 1sgj h ASP 20 N 0.17 0.62 -0.39 0.00 2.03 -1.96 -2.61 116.42 114.27 1sgj h ASP 20 Ca 0.19 -0.63 -0.14 0.00 -0.73 0.00 0.00 57.03 55.72 1sgj h ASP 20 Cb 0.54 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.85 1sgj h ASP 20 CO -0.03 1.15 -0.29 -0.07 -1.03 0.00 0.00 179.24 178.97 1sgj h LEU 21 N 0.12 0.96 -1.17 0.15 3.38 -1.85 -2.91 115.31 114.00 1sgj h LEU 21 Ca -0.03 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.59 1sgj h LEU 21 Cb 1.13 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1sgj h LEU 21 CO 0.10 1.18 0.57 0.40 0.09 0.00 0.00 178.44 180.78 1sgj h ILE 22 N 0.78 1.13 0.00 1.22 2.04 -1.35 -1.57 117.51 119.76 1sgj h ILE 22 Ca 0.09 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 1sgj h ILE 22 Cb 0.87 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1sgj h ILE 22 CO 0.08 0.19 -0.26 0.00 0.00 0.00 0.00 178.15 178.16 1sgj h ALA 23 N 1.50 1.46 0.00 1.87 0.00 -1.26 -2.48 119.26 120.34 1sgj h ALA 23 Ca 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sgj h ALA 23 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sgj h ALA 23 CO -0.11 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.10 1sgj n LYS 24 N -4.07 0.21 -0.32 0.00 5.02 -0.60 -4.28 118.16 114.13 1sgj n LYS 24 Ca -0.02 0.21 0.16 0.00 -2.02 0.00 0.00 58.31 56.64 1sgj n LYS 24 Cb 0.32 -1.77 0.33 0.00 -0.02 0.00 0.00 35.03 33.90 1sgj n LYS 24 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1sgj h LEU 25 N 0.00 -0.11 -0.73 -0.35 4.07 -1.31 -1.77 115.31 115.11 1sgj h LEU 25 Ca 0.00 0.23 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1sgj h LEU 25 Cb 0.66 0.34 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1sgj h LEU 25 CO 0.00 -0.26 0.00 -0.65 -1.08 0.00 0.00 178.44 176.45 1sgj h PRO 26 N 0.11 0.00 -0.79 1.13 0.11 -1.82 -3.37 132.00 127.38 1sgj h PRO 26 Ca 0.61 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.86 1sgj h PRO 26 Cb 1.32 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.34 1sgj h PRO 26 CO -0.76 0.00 0.36 0.00 -0.21 0.00 0.00 178.00 177.39 1sgj h ARG 27 N 0.00 0.52 -0.10 1.05 3.08 -1.63 -1.62 114.38 115.68 1sgj h ARG 27 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1sgj h ARG 27 Cb 0.46 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1sgj h ARG 27 CO 0.00 0.34 0.00 -1.13 -1.07 0.00 0.00 179.97 178.11 1sgj n SER 28 N -4.93 1.27 -3.67 7.04 3.41 -1.26 -4.96 113.62 110.51 1sgj n SER 28 Ca 0.15 -1.59 -0.25 0.00 -0.26 0.00 0.00 58.87 56.92 1sgj n SER 28 Cb 0.41 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1sgj n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgj n ALA 29 N 0.04 -2.27 -1.51 7.33 0.00 -0.61 -4.83 120.51 118.67 1sgj n ALA 29 Ca 0.17 -0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 1sgj n ALA 29 Cb 0.28 -3.14 0.06 0.00 0.00 0.00 0.00 19.45 16.65 1sgj n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sgj s PRO 30 N -5.87 2.80 0.49 0.00 0.04 -1.26 -4.92 135.00 126.28 1sgj s PRO 30 Ca 0.23 1.00 0.26 0.00 0.04 0.00 0.00 61.00 62.53 1sgj s PRO 30 Cb -0.07 -1.97 1.28 0.00 0.04 0.00 0.00 34.50 33.78 1sgj s PRO 30 CO 0.83 -1.21 2.00 -0.44 0.04 0.00 0.00 177.00 178.22 1sgj h ASP 31 N -0.79 0.00 -5.01 6.66 3.32 -1.89 -3.45 116.42 115.26 1sgj h ASP 31 Ca -0.44 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 1sgj h ASP 31 Cb 1.21 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.61 1sgj h ASP 31 CO 0.56 0.16 0.13 0.00 -1.72 0.00 0.00 179.24 178.37 1sgj s ALA 32 N -4.07 -1.53 0.11 3.45 0.00 -0.93 -3.99 121.76 114.81 1sgj s ALA 32 Ca -0.02 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1sgj s ALA 32 Cb 0.13 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1sgj s ALA 32 CO 0.61 -0.54 -0.19 0.14 0.00 0.00 0.00 175.76 175.77 1sgj s VAL 33 N -2.46 1.62 -0.13 0.00 -7.23 -0.26 -1.56 120.40 110.39 1sgj s VAL 33 Ca -0.05 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1sgj s VAL 33 Cb -0.01 -1.54 0.03 0.00 0.56 0.00 0.00 36.38 35.42 1sgj s VAL 33 CO -0.02 -0.16 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.86 1sgj s VAL 34 N -1.41 1.03 -0.42 1.32 1.01 0.71 -0.77 120.40 121.87 1sgj s VAL 34 Ca 0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1sgj s VAL 34 Cb -0.09 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1sgj s VAL 34 CO 0.04 0.28 0.69 -0.63 0.00 0.00 0.00 175.10 175.48 1sgj s ILE 35 N 1.69 4.78 -0.36 2.22 1.01 -0.43 -1.44 121.20 128.68 1sgj s ILE 35 Ca 0.03 0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.89 1sgj s ILE 35 Cb -0.14 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.12 1sgj s ILE 35 CO -0.08 -0.55 0.50 -0.62 0.00 0.00 0.00 174.94 174.19 1sgj s ASP 36 N 1.98 6.30 0.02 3.58 2.15 0.05 -1.01 116.67 129.74 1sgj s ASP 36 Ca 0.26 -0.09 0.24 0.00 0.43 0.00 0.00 52.55 53.39 1sgj s ASP 36 Cb -0.13 -2.26 0.22 0.00 -0.30 0.00 0.00 42.92 40.44 1sgj s ASP 36 CO 0.19 -0.49 1.20 0.18 -0.17 0.00 0.00 175.17 176.08 1sgj n LEU 37 N 5.73 0.64 0.00 -1.34 4.77 -0.59 0.27 117.00 126.48 1sgj n LEU 37 Ca -0.05 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1sgj n LEU 37 Cb 0.49 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1sgj n LEU 37 CO 0.45 0.11 0.00 1.21 -1.33 0.00 0.00 177.39 177.83 1sgj n GLU 38 N -1.69 0.00 -0.32 3.23 2.13 -1.24 -4.38 120.64 118.37 1sgj n GLU 38 Ca 0.04 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.05 1sgj n GLU 38 Cb 0.37 0.00 0.45 0.00 0.27 0.00 0.00 31.44 32.54 1sgj n GLU 38 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1sgj h ASP 39 N 0.00 0.54 0.50 4.31 3.32 -1.94 -1.43 116.42 121.73 1sgj h ASP 39 Ca 0.00 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1sgj h ASP 39 Cb 0.00 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1sgj h ASP 39 CO 0.00 0.14 -0.08 0.00 -1.72 0.00 0.00 179.24 177.58 1sgj h ALA 40 N 1.64 1.15 -3.39 3.45 0.00 -1.86 -3.42 119.26 116.83 1sgj h ALA 40 Ca 0.58 -0.08 -0.65 0.00 0.00 0.00 0.00 54.91 54.76 1sgj h ALA 40 Cb 1.29 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.84 1sgj h ALA 40 CO -0.32 0.11 -0.71 0.08 0.00 0.00 0.00 179.25 178.40 1sgj s VAL 41 N -4.02 3.50 0.73 0.00 1.01 -0.54 -4.82 120.40 116.27 1sgj s VAL 41 Ca -0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1sgj s VAL 41 Cb 0.12 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 1sgj s VAL 41 CO 0.55 0.52 0.26 -2.65 0.00 0.00 0.00 175.10 173.79 1sgj n PRO 42 N 3.30 0.19 -1.94 2.72 -0.02 -1.26 -4.81 135.00 133.18 1sgj n PRO 42 Ca -0.18 0.09 -0.40 0.00 -2.02 0.00 0.00 63.50 60.99 1sgj n PRO 42 Cb 0.53 -1.60 -0.01 0.00 -0.02 0.00 0.00 33.50 32.40 1sgj n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sgj n GLY 43 N 2.00 4.94 3.16 -1.23 0.00 -1.26 -4.41 105.19 108.39 1sgj n GLY 43 Ca 0.08 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 1sgj n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sgj s THR 44 N -0.13 0.92 0.43 2.61 -4.23 -1.26 -5.03 115.64 108.95 1sgj s THR 44 Ca 0.53 -1.48 0.10 0.00 -1.18 0.00 0.00 61.69 59.66 1sgj s THR 44 Cb 0.16 -1.19 0.22 0.00 1.34 0.00 0.00 72.50 73.04 1sgj s THR 44 CO -0.07 -0.46 2.02 0.00 -0.54 0.00 0.00 174.62 175.57 1sgj h ALA 45 N 3.86 1.69 0.05 3.99 0.00 -2.00 -2.14 119.26 124.72 1sgj h ALA 45 Ca -0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sgj h ALA 45 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1sgj h ALA 45 CO 0.48 0.24 -0.03 0.93 0.00 0.00 0.00 179.25 180.87 1sgj h GLU 46 N 0.27 -0.07 -0.66 0.00 3.07 -1.96 -2.24 114.58 113.00 1sgj h GLU 46 Ca 0.07 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1sgj h GLU 46 Cb 0.14 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 1sgj h GLU 46 CO -0.00 0.35 0.31 0.00 -1.40 0.00 0.00 179.01 178.26 1sgj h ALA 47 N 0.40 1.30 -0.23 3.43 0.00 -1.82 -1.22 119.26 121.12 1sgj h ALA 47 Ca -0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1sgj h ALA 47 Cb 0.45 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1sgj h ALA 47 CO 0.01 0.54 -0.56 0.87 0.00 0.00 0.00 179.25 180.11 1sgj h LYS 48 N 0.94 0.79 -0.29 0.00 1.79 -1.43 -2.25 116.57 116.12 1sgj h LYS 48 Ca 0.23 -0.54 -0.11 0.00 -2.18 0.00 0.00 60.65 58.05 1sgj h LYS 48 Cb 0.11 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1sgj h LYS 48 CO -0.03 1.16 -0.29 0.00 -1.08 0.00 0.00 179.45 179.22 1sgj h ALA 49 N 0.62 0.96 0.00 3.86 0.00 -1.23 -2.43 119.26 121.04 1sgj h ALA 49 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1sgj h ALA 49 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1sgj h ALA 49 CO 0.12 0.61 -0.44 0.00 0.00 0.00 0.00 179.25 179.54 1sgj h ALA 50 N 1.17 1.24 0.05 0.00 0.00 -1.20 -3.20 119.26 117.32 1sgj h ALA 50 Ca 0.07 -0.40 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 1sgj h ALA 50 Cb 0.76 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1sgj h ALA 50 CO 0.06 0.55 -1.06 0.00 0.00 0.00 0.00 179.25 178.80 1sgj h ALA 51 N 1.56 0.23 -0.43 0.00 0.00 -1.05 -3.38 119.26 116.19 1sgj h ALA 51 Ca -0.00 -0.75 0.09 0.00 0.00 0.00 0.00 54.91 54.24 1sgj h ALA 51 Cb 0.79 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1sgj h ALA 51 CO 0.06 0.81 -0.18 0.00 0.00 0.00 0.00 179.25 179.94 1sgj h ARG 52 N 0.22 -0.09 -0.13 0.00 3.08 -1.43 -0.67 114.38 115.35 1sgj h ARG 52 Ca -0.11 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1sgj h ARG 52 Cb 1.72 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 1sgj h ARG 52 CO 0.19 -0.06 -0.22 -1.00 -1.07 0.00 0.00 179.97 177.80 1sgj h PRO 53 N -0.09 0.23 -0.04 0.04 0.13 -1.74 -0.21 132.00 130.32 1sgj h PRO 53 Ca 0.21 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1sgj h PRO 53 Cb 0.41 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 1sgj h PRO 53 CO -0.49 0.45 -0.00 0.28 -0.23 0.00 0.00 178.00 178.01 1sgj h VAL 54 N 0.21 1.26 -0.68 1.56 2.07 -1.55 -1.61 116.25 117.51 1sgj h VAL 54 Ca 0.04 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1sgj h VAL 54 Cb 0.52 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1sgj h VAL 54 CO 0.04 0.21 0.36 0.00 0.02 0.00 0.00 177.57 178.20 1sgj h ALA 55 N 0.70 0.88 0.13 1.67 0.00 -0.97 0.14 119.26 121.81 1sgj h ALA 55 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sgj h ALA 55 Cb 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sgj h ALA 55 CO 0.00 0.41 -0.07 1.25 0.00 0.00 0.00 179.25 180.84 1sgj h HIS 56 N 0.94 -0.18 -0.04 0.00 6.17 -0.98 -1.22 115.15 119.85 1sgj h HIS 56 Ca 0.24 -0.00 -0.20 0.00 0.71 0.00 0.00 60.37 61.11 1sgj h HIS 56 Cb 0.07 0.06 -0.00 0.00 2.52 0.00 0.00 27.41 30.06 1sgj h HIS 56 CO -0.00 -0.11 -0.83 -0.44 0.71 0.00 0.00 177.93 177.26 1sgj h ASP 57 N -0.19 0.48 -0.50 3.26 3.32 -1.19 -2.82 116.42 118.78 1sgj h ASP 57 Ca -0.02 -0.35 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 1sgj h ASP 57 Cb 0.15 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1sgj h ASP 57 CO 0.02 1.12 -0.05 0.00 -1.72 0.00 0.00 179.24 178.61 1sgj h ALA 58 N 0.86 0.90 -0.51 3.45 0.00 -0.71 -0.20 119.26 123.05 1sgj h ALA 58 Ca -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1sgj h ALA 58 Cb 1.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1sgj h ALA 58 CO 0.14 0.64 0.23 0.00 0.00 0.00 0.00 179.25 180.27 1sgj h ALA 59 N 1.06 0.66 -0.63 0.00 0.00 -1.23 0.25 119.26 119.37 1sgj h ALA 59 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1sgj h ALA 59 Cb 0.58 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1sgj h ALA 59 CO 0.03 0.24 0.26 -0.09 0.00 0.00 0.00 179.25 179.70 1sgj h ARG 60 N 0.68 0.93 -0.04 0.00 2.43 -1.21 -1.09 114.38 116.08 1sgj h ARG 60 Ca 0.17 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1sgj h ARG 60 Cb 0.14 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1sgj h ARG 60 CO -0.02 0.78 -0.46 -0.44 -1.51 0.00 0.00 179.97 178.32 1sgj h ASP 61 N 0.88 0.11 -0.21 -3.80 3.32 -0.74 -2.74 116.42 113.24 1sgj h ASP 61 Ca 0.21 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 1sgj h ASP 61 Cb 0.19 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1sgj h ASP 61 CO -0.02 0.56 -0.19 0.25 -1.72 0.00 0.00 179.24 178.13 1sgj h LEU 62 N 0.09 0.52 -1.22 1.55 5.85 -0.50 -2.38 115.31 119.21 1sgj h LEU 62 Ca 0.00 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 1sgj h LEU 62 Cb 0.85 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1sgj h LEU 62 CO 0.06 0.88 -0.02 0.40 -0.34 0.00 0.00 178.44 179.42 1sgj h ILE 63 N 0.17 1.20 0.00 4.05 2.04 -1.16 0.95 117.51 124.76 1sgj h ILE 63 Ca 0.04 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 64.94 1sgj h ILE 63 Cb 0.72 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1sgj h ILE 63 CO 0.05 0.27 -0.71 0.00 0.00 0.00 0.00 178.15 177.76 1sgj h ALA 64 N 1.50 0.79 0.21 1.87 0.00 -1.46 -2.95 119.26 119.22 1sgj h ALA 64 Ca 0.10 -0.65 -0.35 0.00 0.00 0.00 0.00 54.91 54.02 1sgj h ALA 64 Cb 0.35 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1sgj h ALA 64 CO 0.01 0.89 -1.66 0.00 0.00 0.00 0.00 179.25 178.49 1sgj h ALA 65 N 1.29 0.05 -2.75 0.00 0.00 -0.96 -3.40 119.26 113.49 1sgj h ALA 65 Ca -0.01 -1.05 -0.61 0.00 0.00 0.00 0.00 54.91 53.25 1sgj h ALA 65 Cb 1.28 0.36 -0.41 0.00 0.00 0.00 0.00 17.79 19.02 1sgj h ALA 65 CO 0.09 0.92 -0.65 0.00 0.00 0.00 0.00 179.25 179.61 1sgj n ALA 66 N -2.81 3.45 0.06 0.00 0.00 0.29 -4.97 120.51 116.53 1sgj n ALA 66 Ca -0.22 -4.36 0.21 0.00 0.00 0.00 0.00 53.44 49.07 1sgj n ALA 66 Cb 1.09 -0.96 0.74 0.00 0.00 0.00 0.00 19.45 20.32 1sgj n ALA 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1sgj h PRO 67 N 5.09 0.00 -0.31 0.00 0.11 -1.75 -2.01 132.00 133.13 1sgj h PRO 67 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1sgj h PRO 67 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1sgj h PRO 67 CO 0.69 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.20 1sgj n HIS 68 N -3.85 0.39 -3.03 0.65 8.25 -1.26 -4.95 115.22 111.41 1sgj n HIS 68 Ca 0.08 -0.21 -0.40 0.00 -0.26 0.00 0.00 57.72 56.94 1sgj n HIS 68 Cb 0.64 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.70 1sgj n HIS 68 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1sgj s LEU 69 N -1.50 4.47 -0.50 2.41 2.96 -0.76 -5.01 118.68 120.75 1sgj s LEU 69 Ca 0.35 1.42 -0.28 0.00 -0.22 0.00 0.00 54.13 55.40 1sgj s LEU 69 Cb 0.21 -3.17 0.03 0.00 0.50 0.00 0.00 46.19 43.76 1sgj s LEU 69 CO 0.30 0.08 1.12 0.00 -1.32 0.00 0.00 176.35 176.52 1sgj s ALA 70 N -0.31 3.12 -0.22 5.97 0.00 -1.26 -4.94 121.76 124.12 1sgj s ALA 70 Ca 0.36 -0.63 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 1sgj s ALA 70 Cb -0.20 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 1sgj s ALA 70 CO 0.22 -2.34 0.07 0.08 0.00 0.00 0.00 175.76 173.78 1sgj s VAL 71 N 4.48 4.47 0.27 0.00 1.01 -1.26 -1.10 120.40 128.28 1sgj s VAL 71 Ca 0.45 -0.13 0.12 0.00 0.00 0.00 0.00 61.98 62.42 1sgj s VAL 71 Cb -0.08 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1sgj s VAL 71 CO 0.29 0.38 -0.20 -0.36 0.00 0.00 0.00 175.10 175.21 1sgj s PHE 72 N 1.15 2.29 -0.04 5.22 0.08 0.05 -0.54 117.98 126.18 1sgj s PHE 72 Ca 0.04 -0.33 0.05 0.00 0.12 0.00 0.00 56.93 56.81 1sgj s PHE 72 Cb -0.14 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.29 1sgj s PHE 72 CO 0.03 0.69 -0.19 0.08 -0.10 0.00 0.00 175.22 175.74 1sgj s VAL 73 N -2.41 1.55 -0.30 -0.44 1.01 -1.23 -1.32 120.40 117.25 1sgj s VAL 73 Ca 0.29 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1sgj s VAL 73 Cb -0.05 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1sgj s VAL 73 CO 0.14 0.44 0.15 -0.60 0.00 0.00 0.00 175.10 175.23 1sgj s ARG 74 N -0.09 3.43 0.73 2.72 3.52 -0.18 -0.94 118.95 128.14 1sgj s ARG 74 Ca -0.01 -0.65 -0.06 0.00 -0.13 0.00 0.00 55.73 54.87 1sgj s ARG 74 Cb -0.11 -3.56 0.09 0.00 -1.56 0.00 0.00 34.95 29.81 1sgj s ARG 74 CO 0.02 -0.37 1.04 0.14 -0.81 0.00 0.00 175.30 175.31 1sgj s VAL 75 N 1.63 2.24 1.01 7.11 -7.23 -0.80 -1.54 120.40 122.81 1sgj s VAL 75 Ca 0.05 -0.31 -0.15 0.00 -1.81 0.00 0.00 61.98 59.76 1sgj s VAL 75 Cb -0.17 -2.93 0.19 0.00 0.56 0.00 0.00 36.38 34.04 1sgj s VAL 75 CO 0.07 0.00 1.15 0.20 -0.31 0.00 0.00 175.10 176.21 1sgj s ASN 76 N -4.60 2.67 0.54 4.85 0.01 -1.26 -4.33 114.94 112.82 1sgj s ASN 76 Ca 0.63 0.80 -0.22 0.00 -0.71 0.00 0.00 52.86 53.36 1sgj s ASN 76 Cb -0.09 -1.22 -0.05 0.00 0.41 0.00 0.00 41.25 40.30 1sgj s ASN 76 CO 0.45 -3.06 1.35 0.00 -1.51 0.00 0.00 177.10 174.34 1sgj s ALA 77 N -3.26 2.83 0.26 0.60 0.00 -1.26 -4.64 121.76 116.28 1sgj s ALA 77 Ca 0.67 1.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.92 1sgj s ALA 77 Cb -0.12 -3.56 0.53 0.00 0.00 0.00 0.00 23.12 19.96 1sgj s ALA 77 CO 0.55 -1.35 1.63 1.25 0.00 0.00 0.00 175.76 177.84 1sgj h LEU 78 N 1.49 -0.26 -1.68 0.00 5.85 -1.90 -0.72 115.31 118.08 1sgj h LEU 78 Ca -0.51 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1sgj h LEU 78 Cb 1.30 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1sgj h LEU 78 CO 0.57 -0.18 0.00 1.41 -0.34 0.00 0.00 178.44 179.90 1sgj n HIS 79 N -5.32 0.67 -2.17 1.25 8.25 -1.26 -4.73 115.22 111.90 1sgj n HIS 79 Ca 0.16 -0.30 -0.29 0.00 -0.26 0.00 0.00 57.72 57.04 1sgj n HIS 79 Cb 0.55 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.62 1sgj n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1sgj s SER 80 N -0.89 5.77 0.00 0.41 1.04 -0.28 -4.95 113.70 114.80 1sgj s SER 80 Ca 0.28 1.01 0.24 0.00 0.48 0.00 0.00 55.95 57.96 1sgj s SER 80 Cb 0.16 -2.00 1.34 0.00 0.10 0.00 0.00 66.02 65.61 1sgj s SER 80 CO 0.17 -1.04 1.79 -0.81 0.98 0.00 0.00 173.24 174.33 1sgj n PRO 81 N -2.70 0.58 -0.00 4.02 -0.04 -1.26 -3.34 135.00 132.26 1sgj n PRO 81 Ca 0.05 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.63 1sgj n PRO 81 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 1sgj n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sgj n TYR 82 N -1.12 0.00 -0.14 0.54 4.01 -1.26 -4.69 117.16 114.50 1sgj n TYR 82 Ca 0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.78 1sgj n TYR 82 Cb 0.13 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 38.85 1sgj n TYR 82 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1sgj h PHE 83 N 0.00 -1.41 -0.10 -0.72 3.57 -1.75 -1.32 116.94 115.21 1sgj h PHE 83 Ca 0.00 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1sgj h PHE 83 Cb 0.70 0.67 -0.06 0.00 2.79 0.00 0.00 35.95 40.06 1sgj h PHE 83 CO 0.00 -0.46 -0.25 1.49 -2.23 0.00 0.00 178.31 176.86 1sgj h GLU 84 N -0.35 -0.32 -0.25 1.11 4.57 -1.85 -1.95 114.58 115.55 1sgj h GLU 84 Ca 0.12 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1sgj h GLU 84 Cb 0.59 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1sgj h GLU 84 CO -0.59 -0.21 -0.03 -0.44 -1.18 0.00 0.00 179.01 176.56 1sgj h ASP 85 N -0.33 0.35 -0.18 1.04 3.32 -1.82 -2.24 116.42 116.56 1sgj h ASP 85 Ca 0.09 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1sgj h ASP 85 Cb 0.47 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1sgj h ASP 85 CO -0.29 0.43 0.12 0.44 -1.72 0.00 0.00 179.24 178.22 1sgj h ASP 86 N 0.36 0.14 -0.21 6.45 3.32 -0.46 -2.05 116.42 123.97 1sgj h ASP 86 Ca 0.08 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.17 1sgj h ASP 86 Cb 0.29 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1sgj h ASP 86 CO 0.01 0.10 0.15 -0.07 -1.72 0.00 0.00 179.24 177.70 1sgj h LEU 87 N 0.16 0.08 -2.06 1.55 3.38 -1.09 -1.31 115.31 116.01 1sgj h LEU 87 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1sgj h LEU 87 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1sgj h LEU 87 CO -0.01 0.05 0.00 0.77 0.09 0.00 0.00 178.44 179.34 1sgj h SER 88 N 0.09 0.00 1.00 -0.43 4.64 -1.51 -1.71 113.55 115.63 1sgj h SER 88 Ca 0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1sgj h SER 88 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1sgj h SER 88 CO -0.01 0.00 -0.40 0.58 -0.87 0.00 0.00 176.83 176.13 1sgj h VAL 89 N 0.00 0.86 -4.01 0.95 2.07 -1.39 -3.45 116.25 111.28 1sgj h VAL 89 Ca 0.00 -1.68 -0.48 0.00 0.82 0.00 0.00 66.70 65.37 1sgj h VAL 89 Cb 0.26 2.04 0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1sgj h VAL 89 CO 0.00 0.39 0.41 -0.76 0.02 0.00 0.00 177.57 177.63 1sgj s LEU 90 N -6.89 4.02 0.06 2.57 1.43 -0.64 -4.63 118.68 114.60 1sgj s LEU 90 Ca 0.01 2.01 -0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1sgj s LEU 90 Cb 0.10 -4.33 -0.04 0.00 0.03 0.00 0.00 46.19 41.96 1sgj s LEU 90 CO 0.70 -0.62 -0.04 0.42 0.23 0.00 0.00 176.35 177.03 1sgj s THR 91 N -1.77 0.33 0.60 5.49 -4.23 -1.26 -5.04 115.64 109.76 1sgj s THR 91 Ca 0.62 -1.69 0.31 0.00 -1.18 0.00 0.00 61.69 59.75 1sgj s THR 91 Cb -0.20 -1.35 0.37 0.00 1.34 0.00 0.00 72.50 72.65 1sgj s THR 91 CO 0.25 -0.88 2.21 -0.65 -0.54 0.00 0.00 174.62 175.01 1sgj h PRO 92 N 3.37 0.00 0.00 3.99 0.11 -1.97 -2.46 132.00 135.03 1sgj h PRO 92 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1sgj h PRO 92 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1sgj h PRO 92 CO 0.61 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.33 1sgj h GLU 93 N 0.00 0.00 -7.14 1.05 3.07 -1.97 -3.45 114.58 106.14 1sgj h GLU 93 Ca 0.03 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.38 1sgj h GLU 93 Cb 0.18 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.19 1sgj h GLU 93 CO -0.00 0.00 0.41 -0.51 -1.40 0.00 0.00 179.01 177.51 1sgj s LEU 94 N -4.93 3.56 0.32 1.33 1.43 -0.93 -4.91 118.68 114.55 1sgj s LEU 94 Ca 0.05 2.16 0.26 0.00 -1.03 0.00 0.00 54.13 55.57 1sgj s LEU 94 Cb 0.10 -4.57 0.79 0.00 0.03 0.00 0.00 46.19 42.53 1sgj s LEU 94 CO 0.48 -1.53 1.75 0.28 0.23 0.00 0.00 176.35 177.55 1sgj h SER 95 N 0.57 0.00 0.00 2.29 0.02 -1.13 -3.47 113.55 111.82 1sgj h SER 95 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1sgj h SER 95 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1sgj h SER 95 CO 0.55 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 1sgj n GLY 96 N 0.86 -1.98 3.00 -3.77 0.00 -1.25 -4.40 105.19 97.65 1sgj n GLY 96 Ca 0.04 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 1sgj n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgj s VAL 97 N -2.44 0.74 -0.17 1.61 0.11 -0.86 -3.55 120.40 115.85 1sgj s VAL 97 Ca 0.00 -0.36 -0.15 0.00 -2.93 0.00 0.00 61.98 58.54 1sgj s VAL 97 Cb 0.00 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1sgj s VAL 97 CO 0.00 0.22 0.34 -0.69 -3.33 0.00 0.00 175.10 171.65 1sgj s VAL 98 N 0.05 5.26 -0.27 2.04 1.01 -0.12 -1.39 120.40 126.99 1sgj s VAL 98 Ca -0.01 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.63 1sgj s VAL 98 Cb -0.07 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.69 1sgj s VAL 98 CO 0.00 0.34 -0.08 -0.69 0.00 0.00 0.00 175.10 174.68 1sgj s VAL 99 N 0.72 2.40 0.61 2.92 1.01 -0.69 -1.90 120.40 125.46 1sgj s VAL 99 Ca 0.18 -1.59 -0.13 0.00 0.00 0.00 0.00 61.98 60.44 1sgj s VAL 99 Cb -0.14 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1sgj s VAL 99 CO 0.06 -0.07 1.03 -2.16 0.00 0.00 0.00 175.10 173.96 1sgj s PRO 100 N 1.14 3.47 -1.54 2.72 0.04 -1.26 -0.69 135.00 138.88 1sgj s PRO 100 Ca -0.07 0.93 -0.13 0.00 0.04 0.00 0.00 61.00 61.77 1sgj s PRO 100 Cb -0.20 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.37 1sgj s PRO 100 CO -0.04 -0.67 0.88 1.63 0.04 0.00 0.00 177.00 178.84 1sgj n LYS 101 N -2.42 -4.85 -2.42 4.56 5.02 -1.08 -4.46 118.16 112.50 1sgj n LYS 101 Ca 0.07 0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 56.49 1sgj n LYS 101 Cb 0.54 -5.32 -0.04 0.00 -0.02 0.00 0.00 35.03 30.19 1sgj n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sgj s LEU 102 N -7.21 4.50 0.00 -0.35 1.43 -0.41 -4.89 118.68 111.76 1sgj s LEU 102 Ca 0.58 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 1sgj s LEU 102 Cb -0.30 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1sgj s LEU 102 CO 0.85 -0.25 0.01 -0.62 0.23 0.00 0.00 176.35 176.57 1sgj n GLU 103 N 1.71 4.96 -3.82 1.70 1.02 -1.26 -3.96 120.64 120.99 1sgj n GLU 103 Ca 0.01 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1sgj n GLU 103 Cb 0.45 -0.37 -0.08 0.00 -0.02 0.00 0.00 31.44 31.42 1sgj n GLU 103 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1sgj s MET 104 N -0.71 0.79 0.27 3.49 -1.94 -1.26 -4.36 119.30 115.58 1sgj s MET 104 Ca 0.00 -0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 53.22 1sgj s MET 104 Cb 0.00 0.33 0.35 0.00 2.01 0.00 0.00 34.83 37.51 1sgj s MET 104 CO 0.00 -0.25 1.92 0.78 -0.01 0.00 0.00 175.02 177.46 1sgj h GLY 105 N 3.11 1.23 1.54 -0.03 0.00 -1.87 -2.20 103.07 104.85 1sgj h GLY 105 Ca -0.33 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1sgj h GLY 105 CO 0.50 0.49 0.23 0.00 0.00 0.00 0.00 176.54 177.76 1sgj h ALA 106 N 1.39 1.57 -0.45 3.60 0.00 -1.96 -1.61 119.26 121.80 1sgj h ALA 106 Ca 0.30 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1sgj h ALA 106 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1sgj h ALA 106 CO -0.06 0.35 -0.08 0.93 0.00 0.00 0.00 179.25 180.40 1sgj h GLU 107 N 0.61 0.86 -0.31 0.00 5.08 -1.81 -1.10 114.58 117.91 1sgj h GLU 107 Ca 0.16 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1sgj h GLU 107 Cb 0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1sgj h GLU 107 CO -0.02 0.95 -0.17 0.00 -1.00 0.00 0.00 179.01 178.76 1sgj h ALA 108 N 0.88 1.12 -0.17 3.43 0.00 -1.27 -1.89 119.26 121.36 1sgj h ALA 108 Ca 0.12 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1sgj h ALA 108 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1sgj h ALA 108 CO 0.04 0.55 -0.42 0.00 0.00 0.00 0.00 179.25 179.42 1sgj h ARG 109 N 0.51 0.39 -0.16 0.00 3.08 -1.10 -1.89 114.38 115.21 1sgj h ARG 109 Ca 0.09 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1sgj h ARG 109 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1sgj h ARG 109 CO 0.04 0.74 0.08 1.96 -1.07 0.00 0.00 179.97 181.71 1sgj h GLN 110 N 0.32 0.23 -0.16 0.04 4.20 -0.61 -0.65 115.11 118.48 1sgj h GLN 110 Ca 0.03 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1sgj h GLN 110 Cb 0.87 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1sgj h GLN 110 CO 0.07 0.27 0.02 0.28 -0.67 0.00 0.00 178.83 178.80 1sgj h VAL 111 N 0.13 0.92 -0.96 -0.54 2.07 -1.22 0.27 116.25 116.91 1sgj h VAL 111 Ca 0.05 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1sgj h VAL 111 Cb 0.12 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1sgj h VAL 111 CO -0.01 0.01 0.63 0.00 0.02 0.00 0.00 177.57 178.23 1sgj h ALA 112 N 1.12 1.38 -0.12 1.67 0.00 -1.19 0.85 119.26 122.97 1sgj h ALA 112 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sgj h ALA 112 Cb 0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1sgj h ALA 112 CO -0.11 0.52 0.01 0.37 0.00 0.00 0.00 179.25 180.05 1sgj h GLN 113 N 1.21 0.21 -0.04 0.00 4.15 -0.56 -0.42 115.11 119.66 1sgj h GLN 113 Ca 0.38 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.69 1sgj h GLN 113 Cb 0.02 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1sgj h GLN 113 CO -0.12 0.42 -0.23 0.52 -1.93 0.00 0.00 178.83 177.49 1sgj h MET 114 N -0.03 0.06 -0.30 1.69 2.86 -0.52 -1.25 114.93 117.44 1sgj h MET 114 Ca 0.04 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 1sgj h MET 114 Cb 0.31 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1sgj h MET 114 CO 0.00 0.29 -0.41 -0.07 1.06 0.00 0.00 176.91 177.78 1sgj h LEU 115 N 0.05 0.87 -0.72 1.22 3.38 -0.58 -3.06 115.31 116.47 1sgj h LEU 115 Ca 0.01 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1sgj h LEU 115 Cb 0.44 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1sgj h LEU 115 CO 0.03 1.20 0.24 -0.61 0.09 0.00 0.00 178.44 179.39 1sgj h GLN 116 N 0.56 1.10 0.00 1.13 4.15 -0.42 -0.91 115.11 120.72 1sgj h GLN 116 Ca 0.03 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1sgj h GLN 116 Cb 1.00 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1sgj h GLN 116 CO 0.10 0.93 0.00 -0.85 -1.93 0.00 0.00 178.83 177.08 1sgj n GLU 117 N -4.30 0.12 -0.14 1.69 0.28 -0.53 -2.03 120.64 115.71 1sgj n GLU 117 Ca 0.06 0.32 0.10 0.00 -0.16 0.00 0.00 57.16 57.47 1sgj n GLU 117 Cb 0.21 -1.71 0.17 0.00 1.43 0.00 0.00 31.44 31.55 1sgj n GLU 117 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1sgj n ARG 118 N -1.93 2.25 -3.15 3.44 1.74 -0.96 -4.97 116.66 113.08 1sgj n ARG 118 Ca 0.03 -2.07 -0.16 0.00 -0.77 0.00 0.00 57.85 54.88 1sgj n ARG 118 Cb 0.23 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 1sgj n ARG 118 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1sgj n SER 119 N 1.24 -5.00 -4.10 0.55 7.64 -0.86 -5.00 113.62 108.10 1sgj n SER 119 Ca 0.16 -0.34 -0.36 0.00 1.01 0.00 0.00 58.87 59.35 1sgj n SER 119 Cb 0.54 -3.65 -0.11 0.00 -1.01 0.00 0.00 64.21 59.97 1sgj n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sgj s LEU 120 N -5.26 5.17 -1.40 -3.43 1.43 -0.39 -4.74 118.68 110.06 1sgj s LEU 120 Ca 0.36 -2.44 -0.14 0.00 -1.03 0.00 0.00 54.13 50.88 1sgj s LEU 120 Cb -0.16 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1sgj s LEU 120 CO 0.45 -0.45 2.32 -0.81 0.23 0.00 0.00 176.35 178.10 1sgj n PRO 121 N 4.03 2.83 -3.94 1.29 -0.04 -1.26 -4.37 135.00 133.54 1sgj n PRO 121 Ca 0.03 -2.41 -0.35 0.00 -0.04 0.00 0.00 63.50 60.73 1sgj n PRO 121 Cb 0.39 -3.14 -0.14 0.00 -0.04 0.00 0.00 33.50 30.58 1sgj n PRO 121 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sgj s LEU 122 N 1.67 3.52 0.81 1.53 1.43 -1.26 -4.93 118.68 121.44 1sgj s LEU 122 Ca 0.52 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 1sgj s LEU 122 Cb 0.15 -1.69 0.08 0.00 0.03 0.00 0.00 46.19 44.76 1sgj s LEU 122 CO -0.06 -0.19 1.15 -2.84 0.23 0.00 0.00 176.35 174.64 1sgj s PRO 123 N 1.29 1.77 -0.15 1.29 0.02 -1.26 -4.63 135.00 133.34 1sgj s PRO 123 Ca -0.02 1.53 -0.08 0.00 0.02 0.00 0.00 61.00 62.45 1sgj s PRO 123 Cb -0.18 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1sgj s PRO 123 CO -0.03 -2.07 0.12 0.42 -0.33 0.00 0.00 177.00 175.11 1sgj s ILE 124 N -2.46 5.31 -0.43 2.83 1.01 0.37 -2.02 121.20 125.82 1sgj s ILE 124 Ca 0.68 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.40 1sgj s ILE 124 Cb -0.24 -3.35 0.10 0.00 0.01 0.00 0.00 42.46 38.99 1sgj s ILE 124 CO 0.52 0.55 0.26 -0.22 0.00 0.00 0.00 174.94 176.05 1sgj s LEU 125 N -0.45 5.30 0.11 2.97 0.20 -0.48 -1.59 118.68 124.73 1sgj s LEU 125 Ca 0.11 -1.78 -0.27 0.00 0.69 0.00 0.00 54.13 52.88 1sgj s LEU 125 Cb -0.12 -1.93 -0.06 0.00 -0.43 0.00 0.00 46.19 43.65 1sgj s LEU 125 CO 0.02 -0.58 0.84 0.00 -0.29 0.00 0.00 176.35 176.34 1sgj s ALA 126 N 1.31 3.35 -0.35 5.97 0.00 0.02 -1.71 121.76 130.35 1sgj s ALA 126 Ca 0.05 0.41 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 1sgj s ALA 126 Cb -0.24 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1sgj s ALA 126 CO -0.01 0.10 0.42 0.20 0.00 0.00 0.00 175.76 176.47 1sgj s GLY 127 N -0.36 1.87 -0.54 0.00 0.00 0.13 -0.90 107.32 107.53 1sgj s GLY 127 Ca 0.41 -1.15 -0.09 0.00 0.00 0.00 0.00 44.72 43.89 1sgj s GLY 127 CO 0.26 1.10 0.41 1.08 0.00 0.00 0.00 173.10 175.95 1sgj s LEU 128 N 2.16 5.75 -0.18 0.66 1.43 -0.19 -1.29 118.68 127.02 1sgj s LEU 128 Ca 0.14 -2.15 0.18 0.00 -1.03 0.00 0.00 54.13 51.27 1sgj s LEU 128 Cb -0.16 -2.01 0.39 0.00 0.03 0.00 0.00 46.19 44.44 1sgj s LEU 128 CO 0.12 -0.63 1.21 -1.84 0.23 0.00 0.00 176.35 175.45 1sgj n GLU 129 N 4.58 0.98 -3.92 1.70 0.28 -1.26 -1.39 120.64 121.60 1sgj n GLU 129 Ca -0.03 -2.22 -0.10 0.00 -0.16 0.00 0.00 57.16 54.66 1sgj n GLU 129 Cb 0.41 -0.42 -0.06 0.00 1.43 0.00 0.00 31.44 32.80 1sgj n GLU 129 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1sgj s THR 130 N -1.39 0.06 0.16 3.84 -4.23 -1.26 -1.75 115.64 111.06 1sgj s THR 130 Ca 0.20 -1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 59.24 1sgj s THR 130 Cb 0.32 -1.80 0.06 0.00 1.34 0.00 0.00 72.50 72.42 1sgj s THR 130 CO -0.09 -0.25 1.64 1.23 -0.54 0.00 0.00 174.62 176.62 1sgj h GLY 131 N 2.47 0.05 1.24 3.99 0.00 -1.89 -1.95 103.07 106.98 1sgj h GLY 131 Ca -0.31 0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1sgj h GLY 131 CO 0.46 -0.18 0.33 0.00 0.00 0.00 0.00 176.54 177.14 1sgj h ALA 132 N 1.08 1.28 -0.86 3.60 0.00 -1.93 -0.77 119.26 121.65 1sgj h ALA 132 Ca 0.17 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sgj h ALA 132 Cb 0.39 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1sgj h ALA 132 CO -0.41 0.55 0.56 0.78 0.00 0.00 0.00 179.25 180.74 1sgj h GLY 133 N 1.04 1.23 0.99 0.00 0.00 -1.50 -0.23 103.07 104.60 1sgj h GLY 133 Ca 0.24 -0.44 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 1sgj h GLY 133 CO -0.03 0.40 -0.63 -2.08 0.00 0.00 0.00 176.54 174.20 1sgj h VAL 134 N 1.12 1.33 -0.41 4.60 2.07 -1.01 -1.98 116.25 121.97 1sgj h VAL 134 Ca 0.33 -1.91 0.03 0.00 0.82 0.00 0.00 66.70 65.96 1sgj h VAL 134 Cb -0.07 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1sgj h VAL 134 CO -0.09 0.59 0.22 -0.25 0.02 0.00 0.00 177.57 178.05 1sgj h TRP 135 N 0.27 0.41 -0.95 1.57 2.91 -0.82 -2.32 115.95 117.01 1sgj h TRP 135 Ca -0.05 0.02 -0.48 0.00 1.13 0.00 0.00 58.89 59.51 1sgj h TRP 135 Cb 1.28 -0.12 -0.28 0.00 -0.51 0.00 0.00 29.16 29.52 1sgj h TRP 135 CO 0.11 0.22 0.60 0.09 -1.03 0.00 0.00 178.44 178.43 1sgj n ASN 136 N -4.90 3.86 -0.10 2.65 3.02 -0.13 -4.69 115.26 114.98 1sgj n ASN 136 Ca 0.02 -3.53 -0.06 0.00 -0.03 0.00 0.00 54.58 50.98 1sgj n ASN 136 Cb 0.09 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1sgj n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sgj h ALA 137 N 1.22 0.14 -0.30 5.41 0.00 -0.76 -1.71 119.26 123.26 1sgj h ALA 137 Ca 0.58 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.62 1sgj h ALA 137 Cb 2.78 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 20.92 1sgj h ALA 137 CO 1.05 -0.52 0.18 -0.09 0.00 0.00 0.00 179.25 179.87 1sgj h ARG 138 N -0.08 0.40 -0.95 0.00 2.43 -1.85 -1.29 114.38 113.04 1sgj h ARG 138 Ca 0.17 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1sgj h ARG 138 Cb 0.35 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1sgj h ARG 138 CO -0.40 0.31 0.62 0.93 -1.51 0.00 0.00 179.97 179.92 1sgj h GLU 139 N 0.38 1.25 -0.04 0.20 5.08 -1.85 -0.09 114.58 119.50 1sgj h GLU 139 Ca 0.11 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1sgj h GLU 139 Cb 0.01 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1sgj h GLU 139 CO -0.02 0.83 0.01 0.82 -1.00 0.00 0.00 179.01 179.65 1sgj h ILE 140 N 1.29 1.22 0.00 3.13 2.04 -1.05 -3.08 117.51 121.06 1sgj h ILE 140 Ca 0.35 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1sgj h ILE 140 Cb -0.14 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1sgj h ILE 140 CO -0.07 0.18 0.00 0.24 0.00 0.00 0.00 178.15 178.50 1sgj h MET 141 N -0.19 0.00 0.00 2.37 2.86 -0.91 -2.55 114.93 116.51 1sgj h MET 141 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1sgj h MET 141 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1sgj h MET 141 CO 0.00 0.00 0.00 -0.85 1.06 0.00 0.00 176.91 177.12 1sgj n GLU 142 N -2.63 0.02 -1.87 1.72 0.28 -0.08 -4.74 120.64 113.36 1sgj n GLU 142 Ca 0.01 0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.62 1sgj n GLU 142 Cb 0.25 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.56 1sgj n GLU 142 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1sgj s VAL 143 N -3.01 2.51 0.23 3.84 1.01 -0.96 -4.89 120.40 119.13 1sgj s VAL 143 Ca 0.13 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1sgj s VAL 143 Cb 0.18 -3.20 0.23 0.00 0.00 0.00 0.00 36.38 33.59 1sgj s VAL 143 CO 0.53 0.02 1.66 -0.65 0.00 0.00 0.00 175.10 176.66 1sgj h PRO 144 N 7.06 0.17 0.00 2.72 0.11 -1.90 -2.31 132.00 137.85 1sgj h PRO 144 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sgj h PRO 144 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sgj h PRO 144 CO 0.93 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 1sgj n GLU 145 N -5.25 0.14 -2.62 1.05 4.71 -1.26 -4.61 120.64 112.80 1sgj n GLU 145 Ca 0.12 0.35 -0.43 0.00 -0.01 0.00 0.00 57.16 57.20 1sgj n GLU 145 Cb 0.43 -1.75 -0.02 0.00 -1.01 0.00 0.00 31.44 29.09 1sgj n GLU 145 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1sgj s VAL 146 N -3.21 4.38 -0.17 2.62 1.01 -0.87 -0.48 120.40 123.68 1sgj s VAL 146 Ca 0.05 1.53 0.15 0.00 0.00 0.00 0.00 61.98 63.71 1sgj s VAL 146 Cb 0.10 -4.49 -0.21 0.00 0.00 0.00 0.00 36.38 31.78 1sgj s VAL 146 CO 0.36 -0.69 0.05 0.00 0.00 0.00 0.00 175.10 174.83 1sgj n ALA 147 N 7.27 1.57 -2.44 5.51 0.00 -0.62 -4.89 120.51 126.91 1sgj n ALA 147 Ca 0.12 -1.15 -0.08 0.00 0.00 0.00 0.00 53.44 52.33 1sgj n ALA 147 Cb 0.48 -0.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 1sgj n ALA 147 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sgj s TRP 148 N -2.42 0.30 -0.05 0.00 0.51 -1.19 -2.62 118.94 113.46 1sgj s TRP 148 Ca -0.09 -0.73 -0.09 0.00 -2.12 0.00 0.00 56.10 53.06 1sgj s TRP 148 Cb 0.05 -0.20 0.02 0.00 -0.81 0.00 0.00 33.47 32.53 1sgj s TRP 148 CO 0.71 -0.43 0.22 0.00 -0.51 0.00 0.00 176.95 176.94 1sgj s ALA 149 N -3.48 -0.54 0.16 0.98 0.00 0.01 -0.80 121.76 118.08 1sgj s ALA 149 Ca 0.02 0.39 0.10 0.00 0.00 0.00 0.00 51.96 52.47 1sgj s ALA 149 Cb 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1sgj s ALA 149 CO -0.09 -0.16 -0.21 1.52 0.00 0.00 0.00 175.76 176.82 1sgj s TYR 150 N -0.53 2.41 -0.24 0.00 -0.85 -0.08 -0.34 117.35 117.71 1sgj s TYR 150 Ca -0.06 -0.32 -0.09 0.00 -0.52 0.00 0.00 57.07 56.08 1sgj s TYR 150 Cb -0.04 -1.24 -0.04 0.00 0.38 0.00 0.00 41.96 41.02 1sgj s TYR 150 CO 0.01 0.43 0.12 0.12 -1.52 0.00 0.00 175.55 174.71 1sgj s PHE 151 N -1.39 3.19 -0.62 -3.49 5.36 -1.03 -1.03 117.98 118.97 1sgj s PHE 151 Ca 0.19 -0.06 -0.12 0.00 -0.96 0.00 0.00 56.93 55.97 1sgj s PHE 151 Cb -0.09 -2.25 0.16 0.00 -0.34 0.00 0.00 43.02 40.49 1sgj s PHE 151 CO 0.10 -0.13 0.54 0.20 -1.46 0.00 0.00 175.22 174.46 1sgj s GLY 152 N 1.33 2.30 0.37 13.12 0.00 -0.49 -3.84 107.32 120.11 1sgj s GLY 152 Ca 0.06 -2.86 0.07 0.00 0.00 0.00 0.00 44.72 41.98 1sgj s GLY 152 CO 0.05 1.19 1.91 0.00 0.00 0.00 0.00 173.10 176.25 1sgj h ALA 153 N 8.24 1.46 0.55 3.20 0.00 -1.92 -1.76 119.26 129.03 1sgj h ALA 153 Ca -0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1sgj h ALA 153 Cb 1.06 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1sgj h ALA 153 CO 0.87 0.38 -0.26 0.93 0.00 0.00 0.00 179.25 181.17 1sgj h GLU 154 N 0.40 -0.71 0.00 0.00 4.39 -1.93 -1.27 114.58 115.47 1sgj h GLU 154 Ca 0.09 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1sgj h GLU 154 Cb 0.30 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1sgj h GLU 154 CO 0.01 -0.45 -0.25 -0.44 -1.16 0.00 0.00 179.01 176.71 1sgj h ASP 155 N -0.79 0.00 0.01 1.42 3.32 -1.75 -2.43 116.42 116.19 1sgj h ASP 155 Ca -0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1sgj h ASP 155 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1sgj h ASP 155 CO 0.12 0.25 -0.00 0.22 -1.72 0.00 0.00 179.24 178.11 1sgj h TYR 156 N 0.00 -0.01 -0.28 4.55 3.20 -0.47 0.58 116.97 124.55 1sgj h TYR 156 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1sgj h TYR 156 Cb 0.78 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1sgj h TYR 156 CO 0.00 0.35 -0.10 1.79 -1.64 0.00 0.00 178.16 178.56 1sgj h THR 157 N -0.38 1.22 -0.38 1.81 1.35 -1.18 -1.24 112.91 114.11 1sgj h THR 157 Ca -0.00 -0.94 -0.06 0.00 -0.55 0.00 0.00 66.41 64.86 1sgj h THR 157 Cb 0.37 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1sgj h THR 157 CO 0.00 0.31 -0.00 0.74 -0.25 0.00 0.00 175.52 176.32 1sgj h THR 158 N 0.42 1.26 -0.36 6.82 2.02 -1.34 0.54 112.91 122.27 1sgj h THR 158 Ca 0.08 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 1sgj h THR 158 Cb 0.44 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1sgj h THR 158 CO 0.02 0.34 0.06 -0.78 0.37 0.00 0.00 175.52 175.53 1sgj h ASP 159 N 0.50 0.50 0.35 4.18 3.58 -0.41 -2.30 116.42 122.82 1sgj h ASP 159 Ca 0.11 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1sgj h ASP 159 Cb 0.47 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1sgj h ASP 159 CO 0.02 0.53 -0.39 0.18 -2.88 0.00 0.00 179.24 176.70 1sgj n LEU 160 N -4.32 0.79 -0.29 2.28 4.32 -0.51 -4.88 117.00 114.39 1sgj n LEU 160 Ca 0.02 -0.15 -0.03 0.00 -0.02 0.00 0.00 56.01 55.83 1sgj n LEU 160 Cb 0.21 -0.18 -0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1sgj n LEU 160 CO 0.38 0.16 -0.03 0.61 -1.22 0.00 0.00 177.39 177.29 1sgj n GLY 161 N 1.42 0.32 0.00 -0.72 0.00 0.22 -5.05 105.19 101.39 1sgj n GLY 161 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1sgj n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgj n GLY 162 N -1.31 2.12 2.98 -0.02 0.00 0.16 -5.01 105.19 104.12 1sgj n GLY 162 Ca -0.03 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 1sgj n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgj s LYS 163 N 2.50 0.18 0.23 1.61 1.02 -1.26 -4.63 119.74 119.39 1sgj s LYS 163 Ca 0.00 -0.07 -0.26 0.00 0.02 0.00 0.00 55.97 55.65 1sgj s LYS 163 Cb 0.00 0.08 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 1sgj s LYS 163 CO 0.00 -0.03 0.86 1.03 -0.92 0.00 0.00 175.35 176.29 1sgj s ARG 164 N -0.39 4.63 0.21 1.68 1.81 -1.26 -4.90 118.95 120.73 1sgj s ARG 164 Ca -0.05 1.27 0.07 0.00 -1.72 0.00 0.00 55.73 55.31 1sgj s ARG 164 Cb -0.03 -3.13 -0.05 0.00 -0.45 0.00 0.00 34.95 31.29 1sgj s ARG 164 CO 0.00 0.48 -0.13 0.95 -0.68 0.00 0.00 175.30 175.92 1sgj s THR 165 N -1.30 1.68 0.15 0.02 -4.23 -1.26 -5.05 115.64 105.66 1sgj s THR 165 Ca 0.41 -2.19 -0.16 0.00 -1.18 0.00 0.00 61.69 58.57 1sgj s THR 165 Cb -0.22 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1sgj s THR 165 CO 0.27 -0.56 1.78 -0.65 -0.54 0.00 0.00 174.62 174.91 1sgj h PRO 166 N 2.53 0.53 -0.14 3.99 0.11 -2.04 -2.73 132.00 134.25 1sgj h PRO 166 Ca -0.38 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1sgj h PRO 166 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1sgj h PRO 166 CO 0.63 0.40 -0.12 0.78 -0.21 0.00 0.00 178.00 179.47 1sgj h GLY 167 N 0.51 0.24 -0.69 -0.55 0.00 -2.03 -3.47 103.07 97.08 1sgj h GLY 167 Ca 0.14 -0.14 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1sgj h GLY 167 CO -0.03 0.13 -0.18 0.61 0.00 0.00 0.00 176.54 177.08 1sgj n GLY 168 N -0.90 0.65 0.23 4.60 0.00 -1.03 -4.91 105.19 103.83 1sgj n GLY 168 Ca -0.01 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.47 1sgj n GLY 168 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sgj h LEU 169 N 0.00 0.00 -0.33 0.99 3.38 -1.91 -1.98 115.31 115.46 1sgj h LEU 169 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1sgj h LEU 169 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1sgj h LEU 169 CO 0.24 0.19 0.00 -1.84 0.09 0.00 0.00 178.44 177.12 1sgj n GLU 170 N -4.05 0.07 0.00 1.13 0.00 -1.26 -2.41 120.64 114.12 1sgj n GLU 170 Ca -0.02 0.37 0.00 0.00 0.00 0.00 0.00 57.16 57.51 1sgj n GLU 170 Cb 0.26 -1.65 0.00 0.00 0.00 0.00 0.00 31.44 30.05 1sgj n GLU 170 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1sgj n VAL 171 N -1.78 0.67 -0.18 3.84 0.24 -0.78 -4.81 118.33 115.52 1sgj n VAL 171 Ca 0.02 -0.68 -0.06 0.00 -2.04 0.00 0.00 64.34 61.58 1sgj n VAL 171 Cb 0.15 0.68 0.04 0.00 -1.47 0.00 0.00 33.84 33.24 1sgj n VAL 171 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1sgj h LEU 172 N 0.00 0.56 0.19 1.34 5.85 -1.09 0.79 115.31 122.95 1sgj h LEU 172 Ca 0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1sgj h LEU 172 Cb 0.62 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1sgj h LEU 172 CO 0.00 0.40 -0.29 0.22 -0.34 0.00 0.00 178.44 178.43 1sgj h TYR 173 N 0.67 -0.78 -0.48 1.25 3.20 -1.87 0.55 116.97 119.51 1sgj h TYR 173 Ca 0.21 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1sgj h TYR 173 Cb -0.01 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1sgj h TYR 173 CO -0.05 -0.40 0.21 0.00 -1.64 0.00 0.00 178.16 176.28 1sgj h ALA 174 N 0.11 0.62 -0.88 1.82 0.00 -1.86 -1.22 119.26 117.85 1sgj h ALA 174 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sgj h ALA 174 Cb 0.54 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1sgj h ALA 174 CO -0.13 0.21 0.51 -0.09 0.00 0.00 0.00 179.25 179.75 1sgj h ARG 175 N 0.63 1.20 -0.18 0.00 2.43 -0.65 -0.72 114.38 117.10 1sgj h ARG 175 Ca 0.16 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1sgj h ARG 175 Cb 0.16 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1sgj h ARG 175 CO -0.02 0.86 -0.48 0.77 -1.51 0.00 0.00 179.97 179.59 1sgj h SER 176 N 1.21 0.50 -0.28 -3.80 0.02 -0.66 -2.77 113.55 107.78 1sgj h SER 176 Ca 0.31 -0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1sgj h SER 176 Cb -0.02 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 1sgj h SER 176 CO -0.06 0.90 -0.32 -0.61 -1.14 0.00 0.00 176.83 175.61 1sgj h GLN 177 N 0.37 0.70 -0.61 3.45 4.15 -0.62 -1.96 115.11 120.59 1sgj h GLN 177 Ca 0.02 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 1sgj h GLN 177 Cb 0.98 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 1sgj h GLN 177 CO 0.09 1.00 0.36 0.28 -1.93 0.00 0.00 178.83 178.63 1sgj h VAL 178 N 0.44 1.19 -0.86 2.39 2.07 -1.15 -0.57 116.25 119.75 1sgj h VAL 178 Ca 0.04 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1sgj h VAL 178 Cb 0.89 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1sgj h VAL 178 CO 0.08 0.19 0.47 0.00 0.02 0.00 0.00 177.57 178.33 1sgj h ALA 179 N 1.18 1.11 -0.16 1.67 0.00 -1.44 -0.64 119.26 120.98 1sgj h ALA 179 Ca 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1sgj h ALA 179 Cb -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1sgj h ALA 179 CO -0.04 0.62 -0.11 1.25 0.00 0.00 0.00 179.25 180.97 1sgj h LEU 180 N 1.21 0.37 -1.41 0.00 5.85 -1.03 -2.47 115.31 117.82 1sgj h LEU 180 Ca 0.30 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1sgj h LEU 180 Cb 0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1sgj h LEU 180 CO -0.05 0.73 0.23 0.00 -0.34 0.00 0.00 178.44 179.01 1sgj h ALA 181 N 0.65 1.55 -0.58 1.25 0.00 -0.95 -1.57 119.26 119.61 1sgj h ALA 181 Ca 0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1sgj h ALA 181 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1sgj h ALA 181 CO 0.03 0.37 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 1sgj h ALA 182 N 1.62 0.88 -0.56 0.00 0.00 -1.02 -1.83 119.26 118.36 1sgj h ALA 182 Ca 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1sgj h ALA 182 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1sgj h ALA 182 CO -0.02 0.66 0.21 -0.09 0.00 0.00 0.00 179.25 180.01 1sgj h ARG 183 N 0.93 0.84 0.00 0.00 9.65 -0.87 -1.02 114.38 123.91 1sgj h ARG 183 Ca 0.17 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1sgj h ARG 183 Cb 0.55 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1sgj h ARG 183 CO 0.03 0.73 0.00 -0.07 2.80 0.00 0.00 179.97 183.46 1sgj h LEU 184 N 0.76 0.00 -1.32 3.80 3.38 -1.03 -3.16 115.31 117.74 1sgj h LEU 184 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1sgj h LEU 184 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1sgj h LEU 184 CO -0.01 0.00 -0.06 0.35 0.09 0.00 0.00 178.44 178.81 1sgj n THR 185 N -2.80 0.00 -1.14 0.22 -2.24 -0.72 -4.98 114.28 102.63 1sgj n THR 185 Ca 0.02 -0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 61.28 1sgj n THR 185 Cb 0.32 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 1sgj n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgj n GLY 186 N 0.77 0.75 3.88 3.38 0.00 -0.72 -4.88 105.19 108.36 1sgj n GLY 186 Ca 0.07 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 1sgj n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgj s VAL 187 N -2.17 5.46 -0.01 1.61 1.01 -0.47 -5.01 120.40 120.83 1sgj s VAL 187 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1sgj s VAL 187 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1sgj s VAL 187 CO 0.00 0.56 1.01 0.00 0.00 0.00 0.00 175.10 176.68 1sgj s ALA 188 N -1.09 3.22 -0.19 5.51 0.00 -1.08 -4.36 121.76 123.78 1sgj s ALA 188 Ca 0.18 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 1sgj s ALA 188 Cb -0.12 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1sgj s ALA 188 CO 0.07 -0.31 0.19 0.00 0.00 0.00 0.00 175.76 175.71 1sgj s ALA 189 N 1.16 3.64 -0.19 0.00 0.00 -1.26 -0.81 121.76 124.30 1sgj s ALA 189 Ca 0.52 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1sgj s ALA 189 Cb -0.22 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 1sgj s ALA 189 CO 0.27 0.08 0.01 -0.51 0.00 0.00 0.00 175.76 175.60 1sgj s LEU 190 N 0.52 3.33 0.75 0.00 1.43 0.54 -1.47 118.68 123.78 1sgj s LEU 190 Ca 0.11 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1sgj s LEU 190 Cb -0.12 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.30 1sgj s LEU 190 CO 0.01 0.09 1.08 -0.62 0.23 0.00 0.00 176.35 177.14 1sgj s ASP 191 N 0.87 4.72 0.79 2.29 2.15 0.15 -2.47 116.67 125.16 1sgj s ASP 191 Ca 0.01 1.77 -0.14 0.00 0.43 0.00 0.00 52.55 54.62 1sgj s ASP 191 Cb -0.14 -2.51 0.03 0.00 -0.30 0.00 0.00 42.92 39.99 1sgj s ASP 191 CO 0.02 -1.89 0.89 2.30 -0.17 0.00 0.00 175.17 176.32 1sgj n ILE 192 N -3.42 1.90 -2.18 4.11 -5.35 -1.25 -1.83 119.36 111.34 1sgj n ILE 192 Ca 0.09 -0.29 -0.32 0.00 -0.27 0.00 0.00 62.75 61.96 1sgj n ILE 192 Cb 0.53 -1.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.43 1sgj n ILE 192 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1sgj s VAL 193 N -2.04 4.10 -0.26 7.28 1.01 -1.26 -4.44 120.40 124.79 1sgj s VAL 193 Ca 0.69 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.68 1sgj s VAL 193 Cb -0.31 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1sgj s VAL 193 CO 0.54 -0.58 -0.09 -0.69 0.00 0.00 0.00 175.10 174.28 1sgj s VAL 194 N -2.53 2.46 0.00 2.92 1.01 -1.26 -5.01 120.40 118.00 1sgj s VAL 194 Ca 0.62 -1.40 0.16 0.00 0.00 0.00 0.00 61.98 61.36 1sgj s VAL 194 Cb -0.14 -2.36 0.08 0.00 0.00 0.00 0.00 36.38 33.96 1sgj s VAL 194 CO 0.35 0.06 1.56 0.71 0.00 0.00 0.00 175.10 177.77 1sgj h THR 195 N 6.50 0.92 -2.87 3.92 1.35 -2.00 -3.44 112.91 117.29 1sgj h THR 195 Ca -0.25 -1.99 -0.55 0.00 -0.55 0.00 0.00 66.41 63.07 1sgj h THR 195 Cb 1.07 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.71 1sgj h THR 195 CO 0.52 0.47 0.88 0.00 -0.25 0.00 0.00 175.52 177.14 1sgj s ALA 196 N -3.22 3.60 -0.44 6.62 0.00 -1.26 -4.89 121.76 122.17 1sgj s ALA 196 Ca 0.02 0.79 0.10 0.00 0.00 0.00 0.00 51.96 52.87 1sgj s ALA 196 Cb 0.09 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 1sgj s ALA 196 CO 0.72 -1.04 0.41 1.28 0.00 0.00 0.00 175.76 177.13 1sgj n LEU 197 N 5.93 0.44 -0.42 0.00 4.77 -1.26 -4.56 117.00 121.89 1sgj n LEU 197 Ca 0.14 -0.47 0.06 0.00 -0.03 0.00 0.00 56.01 55.72 1sgj n LEU 197 Cb 0.44 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.76 1sgj n LEU 197 CO 0.58 0.11 0.67 -0.46 -1.33 0.00 0.00 177.39 176.97 1sgj n ASN 198 N -1.28 1.24 -3.35 -1.43 2.04 -1.26 -4.77 115.26 106.45 1sgj n ASN 198 Ca 0.02 -1.85 -0.06 0.00 -0.44 0.00 0.00 54.58 52.25 1sgj n ASN 198 Cb 0.16 -0.13 -0.07 0.00 -2.53 0.00 0.00 39.78 37.22 1sgj n ASN 198 CO 0.00 0.00 0.00 1.51 -0.44 0.00 0.00 177.26 178.33 1sgj s ASP 199 N -1.23 -0.17 0.57 0.53 3.84 -1.26 -5.00 116.67 113.95 1sgj s ASP 199 Ca 0.22 0.47 0.35 0.00 -0.00 0.00 0.00 52.55 53.59 1sgj s ASP 199 Cb 0.11 1.38 1.60 0.00 -1.38 0.00 0.00 42.92 44.63 1sgj s ASP 199 CO 0.16 -0.28 2.07 1.55 -0.00 0.00 0.00 175.17 178.68 1sgj h PRO 200 N 8.14 0.00 -0.26 2.11 0.13 -1.92 -2.85 132.00 137.35 1sgj h PRO 200 Ca -0.20 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.81 1sgj h PRO 200 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1sgj h PRO 200 CO 0.25 0.02 -0.37 1.49 -0.23 0.00 0.00 178.00 179.17 1sgj h GLU 201 N 0.00 0.58 -0.56 0.86 4.57 -1.98 0.11 114.58 118.15 1sgj h GLU 201 Ca -0.00 -0.28 -0.10 0.00 -1.18 0.00 0.00 59.36 57.80 1sgj h GLU 201 Cb 0.39 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1sgj h GLU 201 CO 0.00 0.86 -0.05 1.15 -1.18 0.00 0.00 179.01 179.79 1sgj h THR 202 N 0.48 1.26 -0.38 0.32 2.02 -1.90 -1.61 112.91 113.11 1sgj h THR 202 Ca 0.05 -1.19 -0.15 0.00 0.77 0.00 0.00 66.41 65.89 1sgj h THR 202 Cb 0.86 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1sgj h THR 202 CO 0.07 0.42 -0.36 0.15 0.37 0.00 0.00 175.52 176.18 1sgj h PHE 203 N 0.91 1.05 -0.11 3.16 3.57 -1.49 -2.54 116.94 121.49 1sgj h PHE 203 Ca 0.16 -0.30 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1sgj h PHE 203 Cb 0.60 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1sgj h PHE 203 CO 0.04 1.11 0.07 0.00 -2.23 0.00 0.00 178.31 177.30 1sgj h ARG 204 N 0.73 0.16 -0.81 1.11 3.08 -0.52 0.52 114.38 118.65 1sgj h ARG 204 Ca 0.07 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1sgj h ARG 204 Cb 0.93 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 1sgj h ARG 204 CO 0.09 0.15 0.43 0.00 -1.07 0.00 0.00 179.97 179.56 1sgj h ALA 205 N 1.00 1.23 -0.18 0.04 0.00 -1.31 -1.71 119.26 118.32 1sgj h ALA 205 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1sgj h ALA 205 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1sgj h ALA 205 CO -0.01 0.61 -0.06 0.22 0.00 0.00 0.00 179.25 180.02 1sgj h ASP 206 N 1.14 0.37 -0.98 0.00 3.58 -1.18 -2.34 116.42 117.01 1sgj h ASP 206 Ca 0.28 -0.38 0.03 0.00 0.42 0.00 0.00 57.03 57.38 1sgj h ASP 206 Cb 0.05 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 1sgj h ASP 206 CO -0.04 0.67 0.65 0.00 -2.88 0.00 0.00 179.24 177.63 1sgj h ALA 207 N 0.71 1.34 -0.62 -0.78 0.00 -0.77 -1.82 119.26 117.32 1sgj h ALA 207 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sgj h ALA 207 Cb 0.52 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1sgj h ALA 207 CO 0.02 0.58 0.38 1.49 0.00 0.00 0.00 179.25 181.72 1sgj h GLU 208 N 1.27 0.73 -0.40 0.00 4.81 -1.15 0.80 114.58 120.65 1sgj h GLU 208 Ca 0.38 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1sgj h GLU 208 Cb -0.05 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1sgj h GLU 208 CO -0.11 0.48 0.20 1.96 -0.73 0.00 0.00 179.01 180.82 1sgj h GLN 209 N 0.75 0.57 -0.60 1.92 4.20 -0.84 -1.49 115.11 119.62 1sgj h GLN 209 Ca 0.25 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1sgj h GLN 209 Cb 0.02 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1sgj h GLN 209 CO -0.10 0.48 0.31 0.78 -0.67 0.00 0.00 178.83 179.63 1sgj h GLY 210 N 0.51 0.91 0.94 3.46 0.00 -0.77 -2.43 103.07 105.69 1sgj h GLY 210 Ca 0.14 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1sgj h GLY 210 CO -0.02 0.41 0.14 -0.09 0.00 0.00 0.00 176.54 176.98 1sgj h ARG 211 N 0.81 0.40 -0.80 4.80 9.65 -0.70 -1.69 114.38 126.86 1sgj h ARG 211 Ca 0.21 -0.05 0.10 0.00 -1.10 0.00 0.00 59.98 59.13 1sgj h ARG 211 Cb 0.07 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.52 1sgj h ARG 211 CO -0.03 0.37 0.52 0.00 2.80 0.00 0.00 179.97 183.63 1sgj h ALA 212 N 1.01 1.76 0.00 2.80 0.00 -1.03 -0.74 119.26 123.05 1sgj h ALA 212 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sgj h ALA 212 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sgj h ALA 212 CO -0.01 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1sgj n LEU 213 N -4.51 0.00 0.00 0.00 4.77 -0.94 -4.90 117.00 111.42 1sgj n LEU 213 Ca 0.13 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1sgj n LEU 213 Cb 0.33 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1sgj n LEU 213 CO 0.32 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1sgj n GLY 214 N 1.03 1.07 3.79 -0.72 0.00 -0.28 -4.76 105.19 105.31 1sgj n GLY 214 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1sgj n GLY 214 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sgj s TYR 215 N -2.00 3.14 -1.80 1.61 1.51 -0.66 -4.83 117.35 114.32 1sgj s TYR 215 Ca 0.00 1.61 0.16 0.00 -1.01 0.00 0.00 57.07 57.83 1sgj s TYR 215 Cb 0.00 -3.12 0.09 0.00 -0.11 0.00 0.00 41.96 38.81 1sgj s TYR 215 CO 0.00 -0.77 0.95 -1.13 -1.11 0.00 0.00 175.55 173.49 1sgj n SER 216 N -0.43 2.09 -3.50 2.29 3.41 -0.54 -4.53 113.62 112.42 1sgj n SER 216 Ca 0.07 -1.54 -0.06 0.00 -0.26 0.00 0.00 58.87 57.07 1sgj n SER 216 Cb 0.51 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1sgj n SER 216 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sgj s GLY 217 N -1.46 0.03 -0.07 5.00 0.00 -1.18 -4.21 107.32 105.43 1sgj s GLY 217 Ca 0.17 -0.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.52 1sgj s GLY 217 CO 0.25 0.32 0.18 1.25 0.00 0.00 0.00 173.10 175.10 1sgj s LYS 218 N -3.01 0.20 0.35 2.90 2.20 -0.20 0.29 119.74 122.47 1sgj s LYS 218 Ca 0.14 0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 55.75 1sgj s LYS 218 Cb -0.04 0.07 -0.09 0.00 -1.51 0.00 0.00 37.83 36.26 1sgj s LYS 218 CO 0.07 -0.04 1.20 -0.51 -0.36 0.00 0.00 175.35 175.70 1sgj s LEU 219 N 0.23 4.36 -0.02 5.43 1.43 -0.76 -2.70 118.68 126.66 1sgj s LEU 219 Ca -0.01 2.45 0.05 0.00 -1.03 0.00 0.00 54.13 55.59 1sgj s LEU 219 Cb -0.02 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 1sgj s LEU 219 CO -0.01 -0.49 -0.18 0.00 0.23 0.00 0.00 176.35 175.90 1sgj n ILE 221 N 2.69 0.52 -3.70 0.00 -5.35 -1.26 -1.68 119.36 110.58 1sgj n ILE 221 Ca -0.15 -0.76 -0.11 0.00 -0.27 0.00 0.00 62.75 61.46 1sgj n ILE 221 Cb 0.54 0.78 -0.12 0.00 -1.74 0.00 0.00 39.64 39.10 1sgj n ILE 221 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1sgj s HIS 222 N -0.66 -0.52 0.52 4.28 5.04 -1.26 -4.86 115.29 117.83 1sgj s HIS 222 Ca 0.06 1.13 0.37 0.00 -1.54 0.00 0.00 55.06 55.08 1sgj s HIS 222 Cb 0.03 0.18 1.53 0.00 0.04 0.00 0.00 32.58 34.37 1sgj s HIS 222 CO 0.05 -0.32 1.73 -1.35 -2.34 0.00 0.00 174.74 172.51 1sgj h PRO 223 N 7.31 0.05 0.00 2.88 0.11 -1.94 0.27 132.00 140.68 1sgj h PRO 223 Ca -0.35 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1sgj h PRO 223 Cb 1.16 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sgj h PRO 223 CO 0.30 0.03 -0.11 0.00 -0.21 0.00 0.00 178.00 178.01 1sgj h ALA 224 N 1.36 1.17 0.00 -0.75 0.00 -1.99 -2.27 119.26 116.78 1sgj h ALA 224 Ca 0.68 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.46 1sgj h ALA 224 Cb 2.55 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.32 1sgj h ALA 224 CO -0.08 0.13 -0.13 1.96 0.00 0.00 0.00 179.25 181.13 1sgj h GLN 225 N 0.00 0.00 -0.15 0.00 4.20 -0.89 -3.31 115.11 114.96 1sgj h GLN 225 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1sgj h GLN 225 Cb 0.40 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1sgj h GLN 225 CO 0.01 0.13 -0.03 0.28 -0.67 0.00 0.00 178.83 178.55 1sgj h VAL 226 N 0.00 0.86 -0.58 -0.54 2.07 -1.51 0.67 116.25 117.22 1sgj h VAL 226 Ca -0.00 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1sgj h VAL 226 Cb 0.84 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1sgj h VAL 226 CO 0.02 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.65 1sgj h ALA 227 N 1.14 0.99 -0.69 1.67 0.00 -1.73 -2.08 119.26 118.56 1sgj h ALA 227 Ca 0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1sgj h ALA 227 Cb 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1sgj h ALA 227 CO -0.14 0.63 0.22 -0.07 0.00 0.00 0.00 179.25 179.89 1sgj h LEU 228 N 0.90 0.99 -0.83 0.00 3.38 -1.57 -2.50 115.31 115.68 1sgj h LEU 228 Ca 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1sgj h LEU 228 Cb 0.46 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1sgj h LEU 228 CO 0.02 0.93 0.45 0.00 0.09 0.00 0.00 178.44 179.93 1sgj h ALA 229 N 1.10 1.07 0.00 1.53 0.00 -0.60 -1.92 119.26 120.43 1sgj h ALA 229 Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sgj h ALA 229 Cb 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1sgj h ALA 229 CO -0.01 0.58 -0.00 0.45 0.00 0.00 0.00 179.25 180.27 1sgj h HIS 230 N 1.16 0.00 0.00 0.00 3.86 -0.95 -0.17 115.15 119.05 1sgj h HIS 230 Ca 0.29 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.41 1sgj h HIS 230 Cb 0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1sgj h HIS 230 CO 0.01 0.00 -0.46 0.93 0.86 0.00 0.00 177.93 179.27 1sgj h GLU 231 N 0.00 0.00 0.00 2.45 5.08 -1.06 -3.36 114.58 117.70 1sgj h GLU 231 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1sgj h GLU 231 Cb 0.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1sgj h GLU 231 CO 0.00 0.46 -2.06 0.66 -1.00 0.00 0.00 179.01 177.07 1sgj n TYR 232 N -3.42 0.00 -4.29 4.33 4.02 -0.41 -5.01 117.16 112.37 1sgj n TYR 232 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.61 1sgj n TYR 232 Cb 0.61 -0.74 -0.11 0.00 -0.02 0.00 0.00 39.34 39.09 1sgj n TYR 232 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1sgj s PHE 233 N -2.51 2.58 0.00 -0.72 0.08 -0.21 -4.93 117.98 112.26 1sgj s PHE 233 Ca -0.08 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.73 1sgj s PHE 233 Cb 0.06 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.17 1sgj s PHE 233 CO 0.67 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 176.63