#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 2.56 0.29 0.54 0.02 -1.26 -4.91 135.00 132.24 1sgj s PRO 5 Ca 0.00 1.76 0.04 0.00 0.02 0.00 0.00 61.00 62.82 1sgj s PRO 5 Cb 0.00 -1.88 0.46 0.00 0.02 0.00 0.00 34.50 33.09 1sgj s PRO 5 CO 0.00 -1.51 1.73 0.00 -0.33 0.00 0.00 177.00 176.89 1sgj h ALA 6 N 0.24 1.14 -3.35 -1.55 0.00 -2.03 -3.42 119.26 110.30 1sgj h ALA 6 Ca -0.49 -0.35 -0.65 0.00 0.00 0.00 0.00 54.91 53.42 1sgj h ALA 6 Cb 1.29 -0.11 -0.25 0.00 0.00 0.00 0.00 17.79 18.72 1sgj h ALA 6 CO 0.52 0.55 -0.73 -0.51 0.00 0.00 0.00 179.25 179.08 1sgj s LEU 7 N -8.57 2.89 -0.23 0.00 1.43 -1.26 -4.63 118.68 108.30 1sgj s LEU 7 Ca -0.06 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1sgj s LEU 7 Cb 0.14 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.75 1sgj s LEU 7 CO 0.78 0.18 -0.08 -0.76 0.23 0.00 0.00 176.35 176.70 1sgj s LEU 8 N 0.28 2.71 0.24 1.79 1.43 -1.26 -5.02 118.68 118.85 1sgj s LEU 8 Ca -0.08 -1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 51.85 1sgj s LEU 8 Cb -0.15 -1.28 0.27 0.00 0.03 0.00 0.00 46.19 45.06 1sgj s LEU 8 CO 0.05 -0.20 1.64 0.03 0.23 0.00 0.00 176.35 178.10 1sgj h ARG 9 N 7.92 0.61 -3.57 1.70 3.08 -1.92 -3.31 114.38 118.88 1sgj h ARG 9 Ca -0.20 -0.26 -0.19 0.00 0.07 0.00 0.00 59.98 59.40 1sgj h ARG 9 Cb 1.07 -0.02 -0.25 0.00 0.08 0.00 0.00 29.97 30.85 1sgj h ARG 9 CO 0.44 0.83 -0.60 -1.54 -1.07 0.00 0.00 179.97 178.03 1sgj s SER 10 N -6.81 -0.03 -0.23 7.04 1.04 -1.26 -1.86 113.70 111.59 1sgj s SER 10 Ca -0.08 0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 1sgj s SER 10 Cb 0.13 0.18 0.07 0.00 0.10 0.00 0.00 66.02 66.50 1sgj s SER 10 CO 0.82 -0.13 0.04 -0.69 0.98 0.00 0.00 173.24 174.26 1sgj s VAL 11 N -0.40 0.72 -0.12 5.02 1.01 -1.11 -1.40 120.40 124.11 1sgj s VAL 11 Ca -0.05 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1sgj s VAL 11 Cb -0.03 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1sgj s VAL 11 CO 0.00 -0.32 0.33 -0.22 0.00 0.00 0.00 175.10 174.89 1sgj s LEU 12 N 1.75 4.30 0.13 3.92 2.96 -0.12 0.43 118.68 132.04 1sgj s LEU 12 Ca 0.01 0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1sgj s LEU 12 Cb -0.17 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 1sgj s LEU 12 CO -0.13 0.14 0.34 -0.36 -1.32 0.00 0.00 176.35 175.03 1sgj s PHE 13 N 0.14 3.48 -0.13 5.38 0.08 -0.67 -0.13 117.98 126.14 1sgj s PHE 13 Ca 0.19 0.46 -0.10 0.00 0.12 0.00 0.00 56.93 57.60 1sgj s PHE 13 Cb -0.14 -1.93 0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1sgj s PHE 13 CO 0.06 0.46 0.32 0.00 -0.10 0.00 0.00 175.22 175.97 1sgj s ALA 14 N -1.66 -0.80 0.24 5.36 0.00 -0.69 -4.88 121.76 119.33 1sgj s ALA 14 Ca 0.39 1.01 -0.32 0.00 0.00 0.00 0.00 51.96 53.05 1sgj s ALA 14 Cb -0.12 -0.60 -0.12 0.00 0.00 0.00 0.00 23.12 22.27 1sgj s ALA 14 CO 0.26 -0.18 1.59 -2.30 0.00 0.00 0.00 175.76 175.14 1sgj n PRO 15 N 3.29 2.50 -0.20 0.00 -0.02 -1.26 -1.24 135.00 138.06 1sgj n PRO 15 Ca -0.16 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1sgj n PRO 15 Cb 0.57 -2.67 0.24 0.00 -0.02 0.00 0.00 33.50 31.61 1sgj n PRO 15 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1sgj h GLY 16 N 5.44 1.03 -2.42 -1.23 0.00 -0.91 -2.52 103.07 102.46 1sgj h GLY 16 Ca -0.45 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.39 1sgj h GLY 16 CO 0.85 0.40 0.09 1.16 0.00 0.00 0.00 176.54 179.04 1sgj n ASN 17 N -4.40 3.28 -3.47 0.19 0.23 -1.26 -3.23 115.26 106.59 1sgj n ASN 17 Ca 0.08 -2.53 -0.27 0.00 -0.53 0.00 0.00 54.58 51.33 1sgj n ASN 17 Cb 0.06 -0.61 -0.09 0.00 -2.08 0.00 0.00 39.78 37.06 1sgj n ASN 17 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1sgj n ARG 18 N 0.13 1.66 -0.43 -3.83 5.12 -0.95 -4.96 116.66 113.40 1sgj n ARG 18 Ca 0.18 -4.11 0.38 0.00 -1.93 0.00 0.00 57.85 52.37 1sgj n ARG 18 Cb 0.80 -1.95 0.72 0.00 -1.16 0.00 0.00 32.46 30.88 1sgj n ARG 18 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sgj h ALA 19 N 4.59 3.13 -0.14 7.54 0.00 -1.82 -0.49 119.26 132.06 1sgj h ALA 19 Ca 0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1sgj h ALA 19 Cb 0.76 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1sgj h ALA 19 CO 0.67 -1.57 -0.76 0.38 0.00 0.00 0.00 179.25 177.97 1sgj h ASP 20 N 0.07 0.84 0.07 0.00 2.03 -1.95 -3.02 116.42 114.46 1sgj h ASP 20 Ca 0.70 -0.55 -0.18 0.00 -0.73 0.00 0.00 57.03 56.27 1sgj h ASP 20 Cb 2.58 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 40.83 1sgj h ASP 20 CO -0.11 1.33 -0.65 -0.07 -1.03 0.00 0.00 179.24 178.71 1sgj h LEU 21 N 0.49 0.64 -1.07 0.15 3.38 -1.47 -2.99 115.31 114.44 1sgj h LEU 21 Ca -0.04 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.62 1sgj h LEU 21 Cb 1.37 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 1sgj h LEU 21 CO 0.15 1.12 0.62 0.40 0.09 0.00 0.00 178.44 180.83 1sgj h ILE 22 N 0.40 1.05 0.00 1.22 2.04 -1.46 -1.26 117.51 119.50 1sgj h ILE 22 Ca -0.02 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1sgj h ILE 22 Cb 1.23 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1sgj h ILE 22 CO 0.12 0.20 -0.24 0.00 0.00 0.00 0.00 178.15 178.23 1sgj h ALA 23 N 1.49 1.13 0.00 1.87 0.00 -1.39 -2.72 119.26 119.63 1sgj h ALA 23 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sgj h ALA 23 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sgj h ALA 23 CO -0.17 0.30 -0.19 1.63 0.00 0.00 0.00 179.25 180.82 1sgj n LYS 24 N -3.56 0.22 -0.32 0.00 5.02 -0.50 -4.34 118.16 114.67 1sgj n LYS 24 Ca -0.01 0.14 0.14 0.00 -2.02 0.00 0.00 58.31 56.57 1sgj n LYS 24 Cb 0.39 -1.71 0.30 0.00 -0.02 0.00 0.00 35.03 33.98 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 -0.32 -0.99 -0.35 4.07 -1.22 -1.15 115.31 115.34 1sgj h LEU 25 Ca 0.00 0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1sgj h LEU 25 Cb 0.69 0.42 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1sgj h LEU 25 CO 0.00 -0.30 0.00 -2.65 -1.08 0.00 0.00 178.44 174.41 1sgj n PRO 26 N -5.41 0.16 -0.04 1.13 -0.02 -1.26 -3.96 135.00 125.60 1sgj n PRO 26 Ca 0.23 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 62.13 1sgj n PRO 26 Cb 0.75 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 1sgj n PRO 26 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1sgj h ARG 27 N 0.00 -0.33 0.00 -0.52 9.65 -1.53 -1.51 114.38 120.14 1sgj h ARG 27 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1sgj h ARG 27 Cb 0.20 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1sgj h ARG 27 CO 0.00 -0.22 0.00 -1.13 2.80 0.00 0.00 179.97 181.42 1sgj n SER 28 N -5.41 0.00 -3.42 -3.80 3.41 -1.25 -4.92 113.62 98.23 1sgj n SER 28 Ca -0.02 -0.14 -0.18 0.00 -0.26 0.00 0.00 58.87 58.27 1sgj n SER 28 Cb 0.33 -0.23 0.07 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.23 -2.26 -2.04 7.33 0.00 -0.57 -4.79 120.51 116.95 1sgj n ALA 29 Ca 0.11 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 1sgj n ALA 29 Cb 0.15 -3.91 -0.01 0.00 0.00 0.00 0.00 19.45 15.69 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 -5.10 3.67 0.34 0.00 0.04 -1.26 -4.97 135.00 127.72 1sgj s PRO 30 Ca 0.23 0.57 0.08 0.00 0.04 0.00 0.00 61.00 61.93 1sgj s PRO 30 Cb -0.04 -2.23 0.62 0.00 0.04 0.00 0.00 34.50 32.89 1sgj s PRO 30 CO 0.76 -0.32 1.80 -0.44 0.04 0.00 0.00 177.00 178.84 1sgj h ASP 31 N 0.31 0.21 -5.08 6.66 3.32 -1.92 -3.46 116.42 116.47 1sgj h ASP 31 Ca -0.46 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.44 1sgj h ASP 31 Cb 1.19 -0.06 -0.16 0.00 0.22 0.00 0.00 39.33 40.53 1sgj h ASP 31 CO 0.62 0.50 -0.25 0.00 -1.72 0.00 0.00 179.24 178.39 1sgj s ALA 32 N -4.39 -0.62 0.10 3.45 0.00 -0.49 -3.08 121.76 116.72 1sgj s ALA 32 Ca -0.05 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1sgj s ALA 32 Cb 0.14 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1sgj s ALA 32 CO 0.75 -0.46 -0.11 0.14 0.00 0.00 0.00 175.76 176.07 1sgj s VAL 33 N -2.97 1.06 -0.16 0.00 -7.23 -0.56 -0.95 120.40 109.59 1sgj s VAL 33 Ca -0.02 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1sgj s VAL 33 Cb 0.01 -1.38 0.04 0.00 0.56 0.00 0.00 36.38 35.61 1sgj s VAL 33 CO -0.06 -0.49 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.50 1sgj s VAL 34 N -2.27 1.02 -0.48 1.32 1.01 0.81 -0.92 120.40 120.89 1sgj s VAL 34 Ca 0.06 -0.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 1sgj s VAL 34 Cb -0.04 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1sgj s VAL 34 CO 0.01 0.14 0.85 -0.63 0.00 0.00 0.00 175.10 175.47 1sgj s ILE 35 N 1.68 4.55 -0.32 2.22 1.01 0.57 -1.70 121.20 129.21 1sgj s ILE 35 Ca 0.01 0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 1sgj s ILE 35 Cb -0.15 -4.40 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 1sgj s ILE 35 CO -0.08 -0.85 0.49 -0.62 0.00 0.00 0.00 174.94 173.88 1sgj s ASP 36 N 2.37 6.32 0.00 3.58 2.15 -0.38 -0.43 116.67 130.29 1sgj s ASP 36 Ca 0.31 0.10 0.23 0.00 0.43 0.00 0.00 52.55 53.62 1sgj s ASP 36 Cb -0.12 -2.26 0.14 0.00 -0.30 0.00 0.00 42.92 40.38 1sgj s ASP 36 CO 0.22 -0.40 1.18 0.18 -0.17 0.00 0.00 175.17 176.18 1sgj n LEU 37 N 5.64 1.90 0.00 -1.34 4.77 -0.38 -0.23 117.00 127.37 1sgj n LEU 37 Ca -0.05 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1sgj n LEU 37 Cb 0.49 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1sgj n LEU 37 CO 0.43 0.35 0.00 1.21 -1.33 0.00 0.00 177.39 178.05 1sgj n GLU 38 N -0.07 0.00 -0.24 3.23 2.13 -1.25 -4.55 120.64 119.90 1sgj n GLU 38 Ca 0.10 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.93 1sgj n GLU 38 Cb 0.45 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.29 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 0.49 -0.20 4.31 3.32 -1.93 -2.78 116.42 119.62 1sgj h ASP 39 Ca 0.00 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.16 1sgj h ASP 39 Cb 0.00 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1sgj h ASP 39 CO 0.00 0.29 0.21 0.00 -1.72 0.00 0.00 179.24 178.02 1sgj h ALA 40 N 1.41 1.88 -3.48 3.45 0.00 -1.88 -3.42 119.26 117.22 1sgj h ALA 40 Ca 0.34 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.58 1sgj h ALA 40 Cb 0.32 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.98 1sgj h ALA 40 CO -0.25 -0.31 -0.69 0.14 0.00 0.00 0.00 179.25 178.14 1sgj s VAL 41 N -4.69 3.77 0.49 0.00 -7.23 -1.05 -4.86 120.40 106.83 1sgj s VAL 41 Ca -0.05 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.94 1sgj s VAL 41 Cb 0.16 -2.73 -0.08 0.00 0.56 0.00 0.00 36.38 34.29 1sgj s VAL 41 CO 0.57 0.22 1.17 -2.65 -0.31 0.00 0.00 175.10 174.10 1sgj n PRO 42 N 0.97 1.53 -2.17 4.82 -0.02 -1.26 -4.86 135.00 134.01 1sgj n PRO 42 Ca -0.13 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1sgj n PRO 42 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.98 4.41 2.77 -1.23 0.00 -1.26 -4.47 105.19 106.40 1sgj n GLY 43 Ca 0.10 -1.87 -0.19 0.00 0.00 0.00 0.00 46.02 44.06 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 1.72 0.14 0.64 2.61 -4.23 -1.26 -5.02 115.64 110.25 1sgj s THR 44 Ca 0.43 0.18 0.15 0.00 -1.18 0.00 0.00 61.69 61.28 1sgj s THR 44 Cb 0.10 -0.29 0.19 0.00 1.34 0.00 0.00 72.50 73.84 1sgj s THR 44 CO -0.03 0.18 1.36 0.00 -0.54 0.00 0.00 174.62 175.59 1sgj h ALA 45 N 7.79 2.08 0.11 3.99 0.00 -2.01 0.16 119.26 131.38 1sgj h ALA 45 Ca -0.30 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.26 1sgj h ALA 45 Cb 1.13 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1sgj h ALA 45 CO 0.35 -0.99 -1.84 0.93 0.00 0.00 0.00 179.25 177.70 1sgj h GLU 46 N 0.00 0.23 0.00 0.00 3.07 -1.95 -3.23 114.58 112.71 1sgj h GLU 46 Ca 0.13 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1sgj h GLU 46 Cb 1.82 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.88 1sgj h GLU 46 CO -0.00 1.19 0.00 0.00 -1.40 0.00 0.00 179.01 178.80 1sgj h ALA 47 N -0.02 1.00 0.00 3.43 0.00 -1.01 -2.29 119.26 120.37 1sgj h ALA 47 Ca -0.40 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1sgj h ALA 47 Cb 1.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1sgj h ALA 47 CO 0.05 0.00 -0.40 0.87 0.00 0.00 0.00 179.25 179.76 1sgj h LYS 48 N 0.00 0.00 0.00 0.00 1.79 -1.54 -3.11 116.57 113.71 1sgj h LYS 48 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1sgj h LYS 48 Cb 0.40 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1sgj h LYS 48 CO 0.00 0.86 -0.09 0.00 -1.08 0.00 0.00 179.45 179.14 1sgj h ALA 49 N -0.29 1.50 0.00 3.86 0.00 -1.56 -0.68 119.26 122.09 1sgj h ALA 49 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sgj h ALA 49 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1sgj h ALA 49 CO -0.06 0.11 -0.08 0.00 0.00 0.00 0.00 179.25 179.22 1sgj h ALA 50 N 1.91 0.95 0.00 0.00 0.00 -1.53 -3.22 119.26 117.37 1sgj h ALA 50 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sgj h ALA 50 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sgj h ALA 50 CO 0.01 0.00 -1.13 0.00 0.00 0.00 0.00 179.25 178.13 1sgj n ALA 51 N -1.90 2.38 0.28 0.00 0.00 -0.30 -4.27 120.51 116.70 1sgj n ALA 51 Ca 0.05 -0.32 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1sgj n ALA 51 Cb 0.47 -1.06 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1sgj n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sgj h ARG 52 N 0.00 -0.78 -0.57 0.00 3.08 -1.48 0.23 114.38 114.86 1sgj h ARG 52 Ca -0.04 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1sgj h ARG 52 Cb 1.15 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 1sgj h ARG 52 CO 0.01 -0.52 0.35 -1.00 -1.07 0.00 0.00 179.97 177.74 1sgj h PRO 53 N -0.81 0.77 -0.36 0.04 0.13 -1.76 0.20 132.00 130.20 1sgj h PRO 53 Ca -0.05 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.89 1sgj h PRO 53 Cb 0.69 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1sgj h PRO 53 CO 0.00 0.53 -0.30 0.28 -0.23 0.00 0.00 178.00 178.29 1sgj h VAL 54 N 0.78 1.28 -0.08 1.56 2.07 -1.69 -1.51 116.25 118.66 1sgj h VAL 54 Ca 0.21 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 1sgj h VAL 54 Cb -0.04 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1sgj h VAL 54 CO -0.04 0.48 -0.12 0.00 0.02 0.00 0.00 177.57 177.91 1sgj h ALA 55 N 0.99 0.12 0.24 1.67 0.00 -0.43 -2.23 119.26 119.62 1sgj h ALA 55 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1sgj h ALA 55 Cb 0.84 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1sgj h ALA 55 CO 0.07 -0.01 -0.28 1.25 0.00 0.00 0.00 179.25 180.28 1sgj h HIS 56 N -0.23 -0.79 -0.78 0.00 6.17 -0.93 0.15 115.15 118.74 1sgj h HIS 56 Ca 0.01 0.01 0.14 0.00 0.71 0.00 0.00 60.37 61.24 1sgj h HIS 56 Cb 0.67 0.31 -0.05 0.00 2.52 0.00 0.00 27.41 30.86 1sgj h HIS 56 CO 0.10 -0.37 0.52 -0.44 0.71 0.00 0.00 177.93 178.45 1sgj h ASP 57 N -0.53 0.45 -0.01 3.26 3.32 -1.38 0.72 116.42 122.24 1sgj h ASP 57 Ca -0.03 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1sgj h ASP 57 Cb 0.47 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1sgj h ASP 57 CO -0.06 0.23 -0.71 0.00 -1.72 0.00 0.00 179.24 176.98 1sgj h ALA 58 N 1.64 0.47 -0.17 3.45 0.00 -1.08 -2.70 119.26 120.86 1sgj h ALA 58 Ca 0.38 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1sgj h ALA 58 Cb 0.80 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1sgj h ALA 58 CO -0.13 0.71 -0.20 0.00 0.00 0.00 0.00 179.25 179.63 1sgj h ALA 59 N 0.74 0.26 -0.33 0.00 0.00 0.27 -1.55 119.26 118.64 1sgj h ALA 59 Ca -0.03 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.60 1sgj h ALA 59 Cb 1.31 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1sgj h ALA 59 CO 0.14 0.19 -0.15 -0.09 0.00 0.00 0.00 179.25 179.34 1sgj h ARG 60 N 0.09 -0.08 0.00 0.00 2.43 -0.92 0.04 114.38 115.93 1sgj h ARG 60 Ca 0.02 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 1sgj h ARG 60 Cb 0.75 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1sgj h ARG 60 CO 0.05 -0.06 -0.58 -0.44 -1.51 0.00 0.00 179.97 177.43 1sgj h ASP 61 N -0.09 0.00 -0.22 -3.80 3.32 -1.49 -3.11 116.42 111.03 1sgj h ASP 61 Ca 0.17 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1sgj h ASP 61 Cb 0.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1sgj h ASP 61 CO -0.39 0.58 -0.31 0.25 -1.72 0.00 0.00 179.24 177.65 1sgj h LEU 62 N 0.00 0.65 -0.71 1.55 5.85 -0.50 -2.24 115.31 119.92 1sgj h LEU 62 Ca -0.01 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1sgj h LEU 62 Cb 1.05 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1sgj h LEU 62 CO 0.08 1.03 0.45 0.40 -0.34 0.00 0.00 178.44 180.06 1sgj h ILE 63 N 0.29 1.19 -0.28 4.05 2.04 -1.04 -1.66 117.51 122.10 1sgj h ILE 63 Ca 0.02 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 1sgj h ILE 63 Cb 0.89 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1sgj h ILE 63 CO 0.07 0.19 -0.22 0.00 0.00 0.00 0.00 178.15 178.19 1sgj h ALA 64 N 1.24 1.09 0.00 1.87 0.00 -1.54 -1.48 119.26 120.45 1sgj h ALA 64 Ca 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1sgj h ALA 64 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1sgj h ALA 64 CO -0.05 0.56 -0.37 0.00 0.00 0.00 0.00 179.25 179.39 1sgj h ALA 65 N 1.29 1.01 -1.93 0.00 0.00 -0.89 -3.36 119.26 115.37 1sgj h ALA 65 Ca 0.07 -0.33 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 1sgj h ALA 65 Cb 0.65 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.04 1sgj h ALA 65 CO 0.05 0.46 -0.92 0.00 0.00 0.00 0.00 179.25 178.83 1sgj n ALA 66 N -2.30 1.85 0.06 0.00 0.00 -0.67 -5.03 120.51 114.43 1sgj n ALA 66 Ca -0.00 -2.81 0.19 0.00 0.00 0.00 0.00 53.44 50.82 1sgj n ALA 66 Cb 0.50 -0.90 0.72 0.00 0.00 0.00 0.00 19.45 19.77 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 5.00 0.00 0.08 0.00 0.11 -1.44 -2.73 132.00 133.01 1sgj h PRO 67 Ca 0.16 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.97 1sgj h PRO 67 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1sgj h PRO 67 CO 0.35 0.00 -1.55 1.12 -0.21 0.00 0.00 178.00 177.71 1sgj h HIS 68 N 0.00 0.31 -2.15 0.65 2.07 -1.96 -3.47 115.15 110.61 1sgj h HIS 68 Ca 0.20 -0.22 -0.60 0.00 -2.85 0.00 0.00 60.37 56.90 1sgj h HIS 68 Cb 0.90 -0.01 0.05 0.00 2.57 0.00 0.00 27.41 30.92 1sgj h HIS 68 CO 0.00 1.29 0.75 -0.11 -3.07 0.00 0.00 177.93 176.79 1sgj n LEU 69 N -3.36 2.83 -4.61 6.12 7.94 -1.03 -4.90 117.00 120.00 1sgj n LEU 69 Ca -0.16 1.09 -0.43 0.00 -1.11 0.00 0.00 56.01 55.40 1sgj n LEU 69 Cb 1.03 -1.38 -0.02 0.00 0.53 0.00 0.00 43.42 43.58 1sgj n LEU 69 CO 0.48 -0.42 1.16 0.00 -1.11 0.00 0.00 177.39 177.50 1sgj s ALA 70 N 0.99 3.13 -0.23 1.96 0.00 -1.18 -4.94 121.76 121.50 1sgj s ALA 70 Ca 0.81 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 1sgj s ALA 70 Cb -0.73 -3.90 -0.02 0.00 0.00 0.00 0.00 23.12 18.46 1sgj s ALA 70 CO 0.40 -2.25 0.03 0.08 0.00 0.00 0.00 175.76 174.03 1sgj s VAL 71 N 4.97 4.08 0.21 0.00 1.01 -1.26 -1.49 120.40 127.92 1sgj s VAL 71 Ca 0.56 -0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.40 1sgj s VAL 71 Cb -0.12 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1sgj s VAL 71 CO 0.31 0.38 -0.19 -0.36 0.00 0.00 0.00 175.10 175.24 1sgj s PHE 72 N 1.40 2.41 -0.09 5.22 0.08 -0.09 -0.35 117.98 126.56 1sgj s PHE 72 Ca 0.05 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 56.81 1sgj s PHE 72 Cb -0.15 -1.16 0.01 0.00 -0.57 0.00 0.00 43.02 41.15 1sgj s PHE 72 CO 0.02 0.54 -0.16 0.08 -0.10 0.00 0.00 175.22 175.60 1sgj s VAL 73 N -1.83 1.51 -0.28 -0.44 1.01 -1.24 -0.31 120.40 118.82 1sgj s VAL 73 Ca 0.24 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1sgj s VAL 73 Cb -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1sgj s VAL 73 CO 0.12 0.44 0.33 -0.60 0.00 0.00 0.00 175.10 175.40 1sgj s ARG 74 N 0.68 3.97 0.79 2.72 3.52 0.43 -1.48 118.95 129.58 1sgj s ARG 74 Ca -0.13 -0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 55.35 1sgj s ARG 74 Cb -0.16 -3.67 0.17 0.00 -1.56 0.00 0.00 34.95 29.73 1sgj s ARG 74 CO 0.03 -0.27 1.07 1.33 -0.81 0.00 0.00 175.30 176.65 1sgj n VAL 75 N 5.11 0.00 -2.22 7.11 0.24 -0.67 -1.25 118.33 126.66 1sgj n VAL 75 Ca -0.10 -1.35 -0.27 0.00 -2.04 0.00 0.00 64.34 60.58 1sgj n VAL 75 Cb 0.51 -1.10 0.04 0.00 -1.47 0.00 0.00 33.84 31.82 1sgj n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1sgj s ASN 76 N -5.20 5.40 0.53 -1.34 0.01 -1.26 -4.42 114.94 108.65 1sgj s ASN 76 Ca 0.67 0.78 -0.20 0.00 -0.71 0.00 0.00 52.86 53.40 1sgj s ASN 76 Cb -0.03 -1.65 -0.09 0.00 0.41 0.00 0.00 41.25 39.89 1sgj s ASN 76 CO 0.45 -1.25 0.71 0.00 -1.51 0.00 0.00 177.10 175.50 1sgj n ALA 77 N -2.77 -0.69 -0.32 0.60 0.00 -1.26 -4.57 120.51 111.51 1sgj n ALA 77 Ca 0.06 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1sgj n ALA 77 Cb 0.58 -1.92 0.24 0.00 0.00 0.00 0.00 19.45 18.34 1sgj n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sgj h LEU 78 N 0.60 0.66 -1.67 0.00 5.85 -1.90 -0.99 115.31 117.87 1sgj h LEU 78 Ca -0.45 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1sgj h LEU 78 Cb 1.38 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1sgj h LEU 78 CO 0.50 0.29 0.00 1.41 -0.34 0.00 0.00 178.44 180.31 1sgj n HIS 79 N -4.80 0.58 -1.87 1.25 8.25 -1.26 -4.78 115.22 112.58 1sgj n HIS 79 Ca 0.18 -0.29 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 1sgj n HIS 79 Cb 0.43 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.07 4.83 0.00 0.41 1.04 -0.37 -4.95 113.70 113.60 1sgj s SER 80 Ca 0.31 0.94 0.30 0.00 0.48 0.00 0.00 55.95 57.97 1sgj s SER 80 Cb 0.16 -1.55 1.37 0.00 0.10 0.00 0.00 66.02 66.10 1sgj s SER 80 CO 0.22 -1.71 1.99 -0.81 0.98 0.00 0.00 173.24 173.91 1sgj n PRO 81 N -3.22 0.20 -0.03 4.02 -0.04 -1.26 -3.81 135.00 130.87 1sgj n PRO 81 Ca 0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1sgj n PRO 81 Cb 0.59 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.40 0.19 -0.33 0.54 4.01 -1.26 -4.65 117.16 114.25 1sgj n TYR 82 Ca 0.10 0.06 -0.07 0.00 -0.16 0.00 0.00 57.90 57.84 1sgj n TYR 82 Cb 0.29 -0.76 -0.03 0.00 -0.31 0.00 0.00 39.34 38.54 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 -0.06 -0.72 3.57 -1.73 -0.61 116.94 115.97 1sgj h PHE 83 Ca -0.19 0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.44 1sgj h PHE 83 Cb 1.45 0.74 -0.06 0.00 2.79 0.00 0.00 35.95 40.87 1sgj h PHE 83 CO 0.00 -0.40 -0.54 1.49 -2.23 0.00 0.00 178.31 176.63 1sgj h GLU 84 N -0.08 -0.61 0.00 1.11 4.57 -1.85 -1.91 114.58 115.81 1sgj h GLU 84 Ca 0.23 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1sgj h GLU 84 Cb 0.53 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1sgj h GLU 84 CO -0.87 -0.40 -0.17 -0.44 -1.18 0.00 0.00 179.01 175.94 1sgj h ASP 85 N -0.63 0.00 -0.13 1.04 3.32 -1.78 -2.74 116.42 115.50 1sgj h ASP 85 Ca 0.02 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1sgj h ASP 85 Cb 0.70 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1sgj h ASP 85 CO -0.40 0.17 -0.12 0.44 -1.72 0.00 0.00 179.24 177.62 1sgj h ASP 86 N 0.00 0.45 -0.75 6.45 3.32 -0.32 -2.91 116.42 122.66 1sgj h ASP 86 Ca -0.00 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1sgj h ASP 86 Cb 0.46 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1sgj h ASP 86 CO 0.02 0.61 0.49 -0.07 -1.72 0.00 0.00 179.24 178.57 1sgj h LEU 87 N 0.44 0.79 -2.64 1.55 3.38 -1.14 -1.84 115.31 115.85 1sgj h LEU 87 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sgj h LEU 87 Cb 0.47 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1sgj h LEU 87 CO 0.03 0.55 0.12 0.28 0.09 0.00 0.00 178.44 179.50 1sgj h SER 88 N 0.92 0.00 1.49 -0.43 0.02 -1.64 -0.67 113.55 113.24 1sgj h SER 88 Ca 0.30 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.14 1sgj h SER 88 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1sgj h SER 88 CO -0.08 0.00 -0.51 0.58 -1.14 0.00 0.00 176.83 175.67 1sgj h VAL 89 N 0.00 0.82 -4.17 2.27 2.07 -1.47 -3.47 116.25 112.30 1sgj h VAL 89 Ca 0.00 -2.17 -0.50 0.00 0.82 0.00 0.00 66.70 64.86 1sgj h VAL 89 Cb 0.23 2.40 0.07 0.00 -1.52 0.00 0.00 31.29 32.47 1sgj h VAL 89 CO -0.00 0.47 0.38 -0.76 0.02 0.00 0.00 177.57 177.68 1sgj s LEU 90 N -6.43 3.54 0.04 2.57 1.43 -0.26 -4.70 118.68 114.88 1sgj s LEU 90 Ca 0.04 1.92 -0.01 0.00 -1.03 0.00 0.00 54.13 55.05 1sgj s LEU 90 Cb 0.07 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 1sgj s LEU 90 CO 0.74 -1.25 -0.03 0.42 0.23 0.00 0.00 176.35 176.46 1sgj s THR 91 N -2.29 0.20 0.59 5.49 -4.23 -1.26 -5.04 115.64 109.09 1sgj s THR 91 Ca 0.66 -1.65 0.35 0.00 -1.18 0.00 0.00 61.69 59.87 1sgj s THR 91 Cb -0.18 -1.30 0.38 0.00 1.34 0.00 0.00 72.50 72.75 1sgj s THR 91 CO 0.35 -0.91 2.28 -0.65 -0.54 0.00 0.00 174.62 175.15 1sgj h PRO 92 N 3.42 0.00 0.00 3.99 0.11 -1.94 -2.38 132.00 135.19 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 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sgj h PRO 92 CO 0.62 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.35 1sgj h GLU 93 N 0.00 0.00 -7.15 1.05 3.07 -1.97 -3.45 114.58 106.14 1sgj h GLU 93 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 1sgj h GLU 93 Cb 0.05 0.00 0.11 0.00 -0.84 0.00 0.00 28.75 28.07 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 -5.04 3.50 0.21 1.33 1.43 -0.90 -4.92 118.68 114.29 1sgj s LEU 94 Ca 0.04 2.18 0.10 0.00 -1.03 0.00 0.00 54.13 55.41 1sgj s LEU 94 Cb 0.09 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.82 1sgj s LEU 94 CO 0.45 -1.66 1.45 0.28 0.23 0.00 0.00 176.35 177.10 1sgj h SER 95 N 0.36 0.00 -1.70 2.29 0.02 -1.00 -3.49 113.55 110.04 1sgj h SER 95 Ca -0.48 0.00 0.35 0.00 -0.84 0.00 0.00 61.79 60.81 1sgj h SER 95 Cb 1.27 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.74 1sgj h SER 95 CO 0.54 0.78 0.85 0.61 -1.14 0.00 0.00 176.83 178.47 1sgj n GLY 96 N 0.84 0.14 3.17 -3.77 0.00 -1.24 -4.29 105.19 100.04 1sgj n GLY 96 Ca -0.00 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 1.57 -0.23 1.61 0.11 -0.26 -3.62 120.40 117.58 1sgj s VAL 97 Ca 0.27 -0.80 -0.14 0.00 -2.93 0.00 0.00 61.98 58.38 1sgj s VAL 97 Cb -0.00 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 1sgj s VAL 97 CO -0.02 0.45 0.33 -0.69 -3.33 0.00 0.00 175.10 171.83 1sgj s VAL 98 N -0.02 5.23 -0.30 2.04 1.01 -0.55 -0.86 120.40 126.96 1sgj s VAL 98 Ca -0.03 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 1sgj s VAL 98 Cb -0.12 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.66 1sgj s VAL 98 CO 0.02 0.24 -0.01 -0.69 0.00 0.00 0.00 175.10 174.66 1sgj s VAL 99 N 1.50 2.72 0.66 2.92 1.01 -0.67 -1.67 120.40 126.87 1sgj s VAL 99 Ca 0.15 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.44 1sgj s VAL 99 Cb -0.15 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1sgj s VAL 99 CO 0.08 -0.16 1.05 -2.16 0.00 0.00 0.00 175.10 173.90 1sgj s PRO 100 N 1.17 3.23 -1.58 2.72 0.04 -1.26 -0.55 135.00 138.77 1sgj s PRO 100 Ca -0.04 0.90 -0.14 0.00 0.04 0.00 0.00 61.00 61.76 1sgj s PRO 100 Cb -0.20 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.41 1sgj s PRO 100 CO -0.03 -0.86 0.83 1.63 0.04 0.00 0.00 177.00 178.61 1sgj n LYS 101 N -2.88 -4.30 -2.44 4.56 5.02 -1.07 -4.50 118.16 112.54 1sgj n LYS 101 Ca 0.07 0.49 -0.41 0.00 -2.02 0.00 0.00 58.31 56.44 1sgj n LYS 101 Cb 0.54 -5.21 -0.04 0.00 -0.02 0.00 0.00 35.03 30.29 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 4.52 0.00 -0.35 1.43 -0.65 -4.89 118.68 111.53 1sgj s LEU 102 Ca 0.59 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 1sgj s LEU 102 Cb -0.31 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1sgj s LEU 102 CO 0.88 -0.21 0.02 -0.62 0.23 0.00 0.00 176.35 176.65 1sgj n GLU 103 N 1.56 4.37 -3.79 1.70 1.02 -1.26 -4.02 120.64 120.23 1sgj n GLU 103 Ca 0.00 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.01 1sgj n GLU 103 Cb 0.45 -0.37 -0.08 0.00 -0.02 0.00 0.00 31.44 31.41 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 -0.63 0.74 0.41 3.49 -1.94 -1.26 -4.36 119.30 115.74 1sgj s MET 104 Ca 0.00 -0.48 0.08 0.00 -1.71 0.00 0.00 55.69 53.58 1sgj s MET 104 Cb 0.00 0.32 0.87 0.00 2.01 0.00 0.00 34.83 38.03 1sgj s MET 104 CO 0.00 -0.22 2.04 0.78 -0.01 0.00 0.00 175.02 177.60 1sgj h GLY 105 N 3.45 0.47 1.65 -0.03 0.00 -1.86 -1.31 103.07 105.44 1sgj h GLY 105 Ca -0.31 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1sgj h GLY 105 CO 0.45 0.19 -0.04 0.00 0.00 0.00 0.00 176.54 177.14 1sgj h ALA 106 N 1.74 1.41 -0.37 3.60 0.00 -1.95 -1.41 119.26 122.28 1sgj h ALA 106 Ca 0.12 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1sgj h ALA 106 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1sgj h ALA 106 CO -0.02 0.41 -0.35 0.93 0.00 0.00 0.00 179.25 180.22 1sgj h GLU 107 N 0.42 0.89 -0.76 0.00 5.08 -1.65 -1.35 114.58 117.20 1sgj h GLU 107 Ca 0.09 -0.46 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1sgj h GLU 107 Cb 0.34 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1sgj h GLU 107 CO 0.01 1.11 0.25 0.00 -1.00 0.00 0.00 179.01 179.39 1sgj h ALA 108 N 0.76 1.00 -0.24 3.43 0.00 -1.21 -0.71 119.26 122.29 1sgj h ALA 108 Ca 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1sgj h ALA 108 Cb 0.94 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1sgj h ALA 108 CO 0.09 0.67 -0.27 0.00 0.00 0.00 0.00 179.25 179.74 1sgj h ARG 109 N 1.13 0.47 -0.08 0.00 3.08 -1.16 -1.30 114.38 116.53 1sgj h ARG 109 Ca 0.25 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1sgj h ARG 109 Cb 0.29 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1sgj h ARG 109 CO -0.01 0.70 0.03 1.96 -1.07 0.00 0.00 179.97 181.58 1sgj h GLN 110 N 0.41 0.12 -0.08 0.04 4.20 -0.60 -0.51 115.11 118.69 1sgj h GLN 110 Ca 0.06 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1sgj h GLN 110 Cb 0.68 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1sgj h GLN 110 CO 0.05 0.25 -0.04 0.28 -0.67 0.00 0.00 178.83 178.69 1sgj h VAL 111 N -0.04 0.86 -0.60 -0.54 2.07 -0.98 -0.62 116.25 116.40 1sgj h VAL 111 Ca 0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.64 1sgj h VAL 111 Cb 0.18 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1sgj h VAL 111 CO -0.00 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.81 1sgj h ALA 112 N 1.04 0.76 -0.26 1.67 0.00 -1.06 -0.38 119.26 121.03 1sgj h ALA 112 Ca 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1sgj h ALA 112 Cb 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sgj h ALA 112 CO -0.11 -0.20 0.10 0.37 0.00 0.00 0.00 179.25 179.41 1sgj h GLN 113 N 0.40 0.39 -1.00 0.00 4.15 -0.66 -1.91 115.11 116.48 1sgj h GLN 113 Ca 0.30 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.66 1sgj h GLN 113 Cb 0.37 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1sgj h GLN 113 CO -0.30 0.43 0.66 0.52 -1.93 0.00 0.00 178.83 178.21 1sgj h MET 114 N 0.26 1.28 -0.46 1.69 2.86 -0.54 -0.73 114.93 119.30 1sgj h MET 114 Ca 0.09 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1sgj h MET 114 Cb 0.19 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1sgj h MET 114 CO -0.01 0.85 0.23 -0.07 1.06 0.00 0.00 176.91 178.97 1sgj h LEU 115 N 1.32 0.60 -0.73 1.22 3.38 -0.86 -1.91 115.31 118.33 1sgj h LEU 115 Ca 0.37 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1sgj h LEU 115 Cb -0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1sgj h LEU 115 CO -0.09 0.55 0.22 -0.61 0.09 0.00 0.00 178.44 178.59 1sgj h GLN 116 N 0.61 1.14 0.00 1.13 4.15 -0.79 0.23 115.11 121.58 1sgj h GLN 116 Ca 0.16 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 1sgj h GLN 116 Cb 0.10 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1sgj h GLN 116 CO -0.02 0.98 -0.21 0.93 -1.93 0.00 0.00 178.83 178.57 1sgj h GLU 117 N 1.08 0.00 -0.45 1.69 5.08 -0.90 -0.88 114.58 120.21 1sgj h GLU 117 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1sgj h GLU 117 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1sgj h GLU 117 CO -0.01 0.21 0.00 0.54 -1.00 0.00 0.00 179.01 178.76 1sgj n ARG 118 N -4.20 2.08 -3.67 2.33 5.12 -0.74 -4.92 116.66 112.65 1sgj n ARG 118 Ca -0.02 -1.58 -0.21 0.00 -1.93 0.00 0.00 57.85 54.11 1sgj n ARG 118 Cb 0.28 -1.37 0.04 0.00 -1.16 0.00 0.00 32.46 30.25 1sgj n ARG 118 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1sgj n SER 119 N 0.75 -1.49 -3.86 0.55 3.41 -0.33 -4.98 113.62 107.67 1sgj n SER 119 Ca 0.15 -0.79 -0.30 0.00 -0.26 0.00 0.00 58.87 57.67 1sgj n SER 119 Cb 0.39 -4.20 -0.14 0.00 -0.26 0.00 0.00 64.21 60.00 1sgj n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sgj s LEU 120 N -6.67 3.64 -1.23 1.04 1.43 0.78 -4.85 118.68 112.83 1sgj s LEU 120 Ca 0.04 -2.59 -0.18 0.00 -1.03 0.00 0.00 54.13 50.37 1sgj s LEU 120 Cb -0.02 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1sgj s LEU 120 CO 0.80 -0.29 1.99 -0.81 0.23 0.00 0.00 176.35 178.28 1sgj n PRO 121 N 3.64 2.47 -4.43 1.29 -0.04 -1.26 -4.17 135.00 132.50 1sgj n PRO 121 Ca 0.05 -2.59 -0.33 0.00 -0.04 0.00 0.00 63.50 60.59 1sgj n PRO 121 Cb 0.36 -3.32 -0.16 0.00 -0.04 0.00 0.00 33.50 30.33 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 3.70 2.17 0.66 1.53 1.43 -1.26 -4.99 118.68 121.92 1sgj s LEU 122 Ca 0.54 -0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 1sgj s LEU 122 Cb 0.10 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 1sgj s LEU 122 CO 0.03 0.05 1.22 -2.84 0.23 0.00 0.00 176.35 175.04 1sgj s PRO 123 N 1.01 2.56 -0.15 1.29 0.02 -1.26 -4.64 135.00 133.83 1sgj s PRO 123 Ca -0.02 1.83 -0.07 0.00 0.02 0.00 0.00 61.00 62.76 1sgj s PRO 123 Cb -0.14 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 1sgj s PRO 123 CO -0.06 -1.53 0.09 0.42 -0.33 0.00 0.00 177.00 175.59 1sgj s ILE 124 N -1.73 5.03 -0.43 2.83 1.01 -0.12 -1.10 121.20 126.69 1sgj s ILE 124 Ca 0.77 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 61.38 1sgj s ILE 124 Cb -0.31 -3.23 0.10 0.00 0.01 0.00 0.00 42.46 39.03 1sgj s ILE 124 CO 0.39 0.53 0.27 -0.22 0.00 0.00 0.00 174.94 175.91 1sgj s LEU 125 N -0.26 5.31 0.14 2.97 0.20 -0.03 -1.48 118.68 125.52 1sgj s LEU 125 Ca 0.09 -1.71 -0.30 0.00 0.69 0.00 0.00 54.13 52.91 1sgj s LEU 125 Cb -0.12 -1.96 -0.07 0.00 -0.43 0.00 0.00 46.19 43.61 1sgj s LEU 125 CO 0.01 -0.58 0.99 0.00 -0.29 0.00 0.00 176.35 176.48 1sgj s ALA 126 N 1.36 3.28 -0.41 5.97 0.00 0.00 -1.67 121.76 130.30 1sgj s ALA 126 Ca 0.04 0.64 -0.17 0.00 0.00 0.00 0.00 51.96 52.47 1sgj s ALA 126 Cb -0.24 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1sgj s ALA 126 CO 0.00 -0.04 0.42 0.20 0.00 0.00 0.00 175.76 176.34 1sgj s GLY 127 N -0.17 1.90 -0.58 0.00 0.00 0.28 -1.39 107.32 107.37 1sgj s GLY 127 Ca 0.47 -1.50 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 1sgj s GLY 127 CO 0.31 1.13 0.48 1.08 0.00 0.00 0.00 173.10 176.10 1sgj s LEU 128 N 2.09 6.02 -0.12 0.66 1.43 -0.33 -1.63 118.68 126.80 1sgj s LEU 128 Ca 0.11 -2.11 0.19 0.00 -1.03 0.00 0.00 54.13 51.29 1sgj s LEU 128 Cb -0.17 -2.10 0.37 0.00 0.03 0.00 0.00 46.19 44.32 1sgj s LEU 128 CO 0.13 -0.70 1.17 -1.84 0.23 0.00 0.00 176.35 175.35 1sgj n GLU 129 N 4.71 0.66 -4.10 1.70 0.28 -1.26 -1.40 120.64 121.23 1sgj n GLU 129 Ca -0.04 -2.13 -0.11 0.00 -0.16 0.00 0.00 57.16 54.72 1sgj n GLU 129 Cb 0.41 -0.30 -0.08 0.00 1.43 0.00 0.00 31.44 32.91 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 -1.04 0.01 0.15 3.84 -4.23 -1.26 -1.87 115.64 111.23 1sgj s THR 130 Ca 0.22 -1.71 -0.17 0.00 -1.18 0.00 0.00 61.69 58.85 1sgj s THR 130 Cb 0.30 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.86 1sgj s THR 130 CO -0.10 -0.06 1.73 1.23 -0.54 0.00 0.00 174.62 176.89 1sgj h GLY 131 N 2.49 0.35 1.77 3.99 0.00 -1.89 -1.92 103.07 107.85 1sgj h GLY 131 Ca -0.32 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1sgj h GLY 131 CO 0.46 -0.02 -0.27 0.00 0.00 0.00 0.00 176.54 176.72 1sgj h ALA 132 N 1.23 1.27 -0.46 3.60 0.00 -1.93 -0.27 119.26 122.69 1sgj h ALA 132 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1sgj h ALA 132 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1sgj h ALA 132 CO -0.19 0.49 0.20 0.78 0.00 0.00 0.00 179.25 180.53 1sgj h GLY 133 N 1.00 0.73 0.82 0.00 0.00 -1.55 -0.52 103.07 103.55 1sgj h GLY 133 Ca 0.04 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1sgj h GLY 133 CO 0.04 0.36 -0.18 -2.08 0.00 0.00 0.00 176.54 174.68 1sgj h VAL 134 N 0.61 1.33 -0.83 4.60 2.07 -1.07 -1.89 116.25 121.06 1sgj h VAL 134 Ca 0.16 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.38 1sgj h VAL 134 Cb 0.16 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1sgj h VAL 134 CO -0.02 0.41 0.53 -0.25 0.02 0.00 0.00 177.57 178.26 1sgj h TRP 135 N 0.15 0.99 -0.83 1.57 2.91 -0.90 -2.27 115.95 117.57 1sgj h TRP 135 Ca 0.03 0.03 -0.44 0.00 1.13 0.00 0.00 58.89 59.64 1sgj h TRP 135 Cb 0.72 -0.33 -0.26 0.00 -0.51 0.00 0.00 29.16 28.79 1sgj h TRP 135 CO 0.08 0.56 0.46 0.09 -1.03 0.00 0.00 178.44 178.60 1sgj n ASN 136 N -4.58 3.57 -0.10 2.65 3.02 -0.22 -4.73 115.26 114.87 1sgj n ASN 136 Ca 0.10 -3.67 -0.06 0.00 -0.03 0.00 0.00 54.58 50.93 1sgj n ASN 136 Cb 0.10 -0.79 0.01 0.00 -0.61 0.00 0.00 39.78 38.49 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 1.05 0.17 -0.12 5.41 0.00 -0.72 -1.55 119.26 123.50 1sgj h ALA 137 Ca 0.53 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.57 1sgj h ALA 137 Cb 2.47 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 20.60 1sgj h ALA 137 CO 0.94 -0.50 0.07 -0.09 0.00 0.00 0.00 179.25 179.66 1sgj h ARG 138 N -0.06 0.17 -0.58 0.00 2.43 -1.85 -1.20 114.38 113.29 1sgj h ARG 138 Ca 0.18 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1sgj h ARG 138 Cb 0.33 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1sgj h ARG 138 CO -0.40 0.20 0.39 0.93 -1.51 0.00 0.00 179.97 179.58 1sgj h GLU 139 N 0.10 0.67 -0.07 0.20 5.08 -1.85 -0.71 114.58 118.00 1sgj h GLU 139 Ca 0.04 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1sgj h GLU 139 Cb 0.08 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1sgj h GLU 139 CO -0.01 0.44 -0.16 0.82 -1.00 0.00 0.00 179.01 179.10 1sgj h ILE 140 N 0.69 1.42 0.00 3.13 2.04 -1.07 -3.27 117.51 120.45 1sgj h ILE 140 Ca 0.23 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1sgj h ILE 140 Cb 0.07 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1sgj h ILE 140 CO -0.06 0.42 0.00 0.24 0.00 0.00 0.00 178.15 178.75 1sgj h MET 141 N -0.27 0.00 0.00 2.37 2.86 -0.79 -2.80 114.93 116.30 1sgj h MET 141 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sgj h MET 141 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1sgj h MET 141 CO 0.04 0.00 -0.00 -0.85 1.06 0.00 0.00 176.91 177.15 1sgj n GLU 142 N -2.56 0.23 -1.70 1.72 0.28 -0.31 -4.76 120.64 113.54 1sgj n GLU 142 Ca 0.01 0.19 -0.42 0.00 -0.16 0.00 0.00 57.16 56.78 1sgj n GLU 142 Cb 0.23 -1.77 -0.03 0.00 1.43 0.00 0.00 31.44 31.31 1sgj n GLU 142 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1sgj n VAL 143 N -2.17 0.28 -0.26 3.84 0.31 -1.06 -4.87 118.33 114.40 1sgj n VAL 143 Ca 0.06 -0.05 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1sgj n VAL 143 Cb 0.42 -2.10 0.16 0.00 -0.91 0.00 0.00 33.84 31.41 1sgj n VAL 143 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1sgj h PRO 144 N 8.14 0.10 0.00 5.55 0.11 -1.91 -1.72 132.00 142.27 1sgj h PRO 144 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sgj h PRO 144 Cb 1.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sgj h PRO 144 CO 0.95 0.06 -0.01 0.93 -0.21 0.00 0.00 178.00 179.72 1sgj h GLU 145 N 0.10 0.00 -6.36 1.05 3.07 -1.95 -3.41 114.58 107.07 1sgj h GLU 145 Ca 0.42 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.71 1sgj h GLU 145 Cb 0.75 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.60 1sgj h GLU 145 CO -0.68 0.01 0.94 0.08 -1.40 0.00 0.00 179.01 177.96 1sgj s VAL 146 N -4.08 4.23 -0.18 3.13 1.01 -0.65 -0.94 120.40 122.92 1sgj s VAL 146 Ca -0.03 1.39 0.11 0.00 0.00 0.00 0.00 61.98 63.45 1sgj s VAL 146 Cb 0.12 -4.24 -0.19 0.00 0.00 0.00 0.00 36.38 32.07 1sgj s VAL 146 CO 0.47 -0.51 -0.02 0.00 0.00 0.00 0.00 175.10 175.04 1sgj n ALA 147 N 7.46 1.56 -2.19 5.51 0.00 -0.55 -4.90 120.51 127.41 1sgj n ALA 147 Ca 0.14 -1.07 -0.08 0.00 0.00 0.00 0.00 53.44 52.43 1sgj n ALA 147 Cb 0.47 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 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 0.62 -0.06 0.00 0.51 -1.20 -2.20 118.94 114.19 1sgj s TRP 148 Ca -0.15 -1.08 -0.17 0.00 -2.12 0.00 0.00 56.10 52.59 1sgj s TRP 148 Cb 0.06 -0.38 0.03 0.00 -0.81 0.00 0.00 33.47 32.37 1sgj s TRP 148 CO 0.64 -0.47 0.38 0.00 -0.51 0.00 0.00 176.95 176.99 1sgj s ALA 149 N -3.97 -0.96 0.12 0.98 0.00 0.09 -0.82 121.76 117.20 1sgj s ALA 149 Ca 0.14 0.67 0.10 0.00 0.00 0.00 0.00 51.96 52.87 1sgj s ALA 149 Cb 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1sgj s ALA 149 CO -0.05 -0.26 -0.25 1.52 0.00 0.00 0.00 175.76 176.73 1sgj s TYR 150 N -0.90 2.13 -0.27 0.00 -0.85 -0.48 -0.13 117.35 116.84 1sgj s TYR 150 Ca -0.10 -0.39 -0.11 0.00 -0.52 0.00 0.00 57.07 55.95 1sgj s TYR 150 Cb -0.04 -1.16 -0.05 0.00 0.38 0.00 0.00 41.96 41.10 1sgj s TYR 150 CO 0.04 0.30 0.21 0.12 -1.52 0.00 0.00 175.55 174.70 1sgj s PHE 151 N -1.11 3.23 -0.79 -3.49 5.36 -1.00 -1.19 117.98 119.00 1sgj s PHE 151 Ca 0.12 0.17 -0.15 0.00 -0.96 0.00 0.00 56.93 56.11 1sgj s PHE 151 Cb -0.10 -2.39 0.20 0.00 -0.34 0.00 0.00 43.02 40.39 1sgj s PHE 151 CO 0.05 -0.14 0.74 0.20 -1.46 0.00 0.00 175.22 174.62 1sgj s GLY 152 N 1.67 2.53 0.31 13.12 0.00 -0.49 -3.88 107.32 120.57 1sgj s GLY 152 Ca 0.08 -3.16 0.01 0.00 0.00 0.00 0.00 44.72 41.64 1sgj s GLY 152 CO 0.10 1.29 1.93 0.00 0.00 0.00 0.00 173.10 176.43 1sgj h ALA 153 N 8.02 1.51 0.47 3.20 0.00 -1.92 -1.62 119.26 128.92 1sgj h ALA 153 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sgj h ALA 153 Cb 1.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1sgj h ALA 153 CO 0.82 0.38 -0.32 0.93 0.00 0.00 0.00 179.25 181.06 1sgj h GLU 154 N 1.02 -0.73 0.00 0.00 4.39 -1.93 -1.08 114.58 116.24 1sgj h GLU 154 Ca 0.36 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 1sgj h GLU 154 Cb 0.13 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1sgj h GLU 154 CO -0.12 -0.49 -0.04 -0.44 -1.16 0.00 0.00 179.01 176.76 1sgj h ASP 155 N -0.76 0.00 0.19 1.42 3.32 -1.75 -2.41 116.42 116.42 1sgj h ASP 155 Ca -0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1sgj h ASP 155 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1sgj h ASP 155 CO 0.03 0.04 -0.09 0.22 -1.72 0.00 0.00 179.24 177.73 1sgj h TYR 156 N 0.00 -0.23 -0.92 4.55 3.20 -0.55 -0.63 116.97 122.38 1sgj h TYR 156 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1sgj h TYR 156 Cb 0.66 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 1sgj h TYR 156 CO 0.00 0.16 0.57 1.79 -1.64 0.00 0.00 178.16 179.04 1sgj h THR 157 N -0.71 1.25 -0.63 1.81 1.35 -1.17 -1.53 112.91 113.28 1sgj h THR 157 Ca -0.03 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1sgj h THR 157 Cb 0.50 -0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 66.81 1sgj h THR 157 CO 0.04 0.26 0.41 0.74 -0.25 0.00 0.00 175.52 176.72 1sgj h THR 158 N 1.27 1.17 -0.44 6.82 2.02 -1.41 0.54 112.91 122.88 1sgj h THR 158 Ca 0.33 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1sgj h THR 158 Cb -0.08 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1sgj h THR 158 CO -0.07 0.17 0.11 -0.78 0.37 0.00 0.00 175.52 175.32 1sgj h ASP 159 N 0.86 0.60 0.41 4.18 3.58 -0.16 -2.35 116.42 123.54 1sgj h ASP 159 Ca 0.23 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1sgj h ASP 159 Cb -0.08 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1sgj h ASP 159 CO -0.05 0.60 -0.32 0.18 -2.88 0.00 0.00 179.24 176.78 1sgj n LEU 160 N -4.31 0.67 0.00 2.28 4.32 -0.69 -4.88 117.00 114.39 1sgj n LEU 160 Ca 0.03 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1sgj n LEU 160 Cb 0.20 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1sgj n LEU 160 CO 0.39 0.14 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 1sgj n GLY 161 N 1.41 0.40 0.00 -0.72 0.00 -0.19 -5.05 105.19 101.04 1sgj n GLY 161 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.94 1.13 3.39 -0.02 0.00 0.17 -5.00 105.19 102.93 1sgj n GLY 162 Ca 0.00 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.05 1sgj n GLY 162 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sgj s LYS 163 N 2.08 0.74 0.23 1.61 2.20 -1.26 -4.67 119.74 120.67 1sgj s LYS 163 Ca 0.00 0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.82 1sgj s LYS 163 Cb 0.00 0.35 -0.08 0.00 -1.51 0.00 0.00 37.83 36.59 1sgj s LYS 163 CO 0.00 -0.17 0.61 1.03 -0.36 0.00 0.00 175.35 176.46 1sgj s ARG 164 N -0.55 3.94 0.18 4.03 1.81 -1.26 -4.90 118.95 122.19 1sgj s ARG 164 Ca -0.07 0.48 0.02 0.00 -1.72 0.00 0.00 55.73 54.45 1sgj s ARG 164 Cb -0.03 -2.69 -0.05 0.00 -0.45 0.00 0.00 34.95 31.73 1sgj s ARG 164 CO 0.04 0.33 -0.01 0.95 -0.68 0.00 0.00 175.30 175.93 1sgj s THR 165 N -1.74 0.78 0.18 0.02 -4.23 -1.26 -5.04 115.64 104.35 1sgj s THR 165 Ca 0.46 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.87 1sgj s THR 165 Cb -0.12 -2.12 0.09 0.00 1.34 0.00 0.00 72.50 71.68 1sgj s THR 165 CO 0.20 -0.48 1.71 -0.65 -0.54 0.00 0.00 174.62 174.85 1sgj h PRO 166 N 2.67 1.00 0.00 3.99 0.11 -2.04 -2.68 132.00 135.05 1sgj h PRO 166 Ca -0.37 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 65.45 1sgj h PRO 166 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1sgj h PRO 166 CO 0.63 0.88 -0.33 0.78 -0.21 0.00 0.00 178.00 179.75 1sgj h GLY 167 N 0.93 0.00 -0.81 -0.55 0.00 -2.02 -3.47 103.07 97.14 1sgj h GLY 167 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.23 1sgj h GLY 167 CO -0.01 0.00 -0.28 0.61 0.00 0.00 0.00 176.54 176.86 1sgj n GLY 168 N -0.23 1.41 0.30 4.60 0.00 -1.01 -4.87 105.19 105.38 1sgj n GLY 168 Ca -0.01 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.03 0.99 3.38 -1.91 -1.38 115.31 116.36 1sgj h LEU 169 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1sgj h LEU 169 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1sgj h LEU 169 CO 0.45 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 177.14 1sgj n GLU 170 N -3.74 0.01 -0.10 1.13 0.00 -1.26 -2.64 120.64 114.04 1sgj n GLU 170 Ca -0.03 0.24 0.02 0.00 0.00 0.00 0.00 57.16 57.39 1sgj n GLU 170 Cb 0.08 -1.52 0.03 0.00 0.00 0.00 0.00 31.44 30.04 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 -1.53 0.73 -0.19 3.84 0.24 -0.55 -4.81 118.33 116.05 1sgj n VAL 171 Ca 0.04 -0.81 -0.08 0.00 -2.04 0.00 0.00 64.34 61.45 1sgj n VAL 171 Cb 0.19 0.48 0.02 0.00 -1.47 0.00 0.00 33.84 33.06 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 0.78 0.10 1.34 5.85 -1.25 0.21 115.31 122.35 1sgj h LEU 172 Ca 0.00 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1sgj h LEU 172 Cb 0.91 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1sgj h LEU 172 CO 0.00 0.77 -0.07 0.22 -0.34 0.00 0.00 178.44 179.02 1sgj h TYR 173 N 0.75 -0.17 -0.24 1.25 3.20 -1.87 0.11 116.97 119.99 1sgj h TYR 173 Ca 0.18 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1sgj h TYR 173 Cb 0.26 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1sgj h TYR 173 CO 0.01 -0.11 0.13 0.00 -1.64 0.00 0.00 178.16 176.56 1sgj h ALA 174 N 0.73 0.31 -0.58 1.82 0.00 -1.86 -0.83 119.26 118.85 1sgj h ALA 174 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1sgj h ALA 174 Cb 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1sgj h ALA 174 CO 0.01 -0.16 0.22 -0.09 0.00 0.00 0.00 179.25 179.22 1sgj h ARG 175 N 0.28 0.85 -0.34 0.00 2.43 -0.45 -1.66 114.38 115.48 1sgj h ARG 175 Ca 0.08 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 58.96 1sgj h ARG 175 Cb 0.06 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1sgj h ARG 175 CO -0.01 0.71 -0.42 0.77 -1.51 0.00 0.00 179.97 179.51 1sgj h SER 176 N 0.83 0.93 -0.55 -3.80 0.02 -0.75 -2.62 113.55 107.61 1sgj h SER 176 Ca 0.20 -0.44 -0.10 0.00 -0.84 0.00 0.00 61.79 60.61 1sgj h SER 176 Cb 0.18 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1sgj h SER 176 CO -0.02 1.22 -0.06 -0.61 -1.14 0.00 0.00 176.83 176.22 1sgj h GLN 177 N 0.70 1.02 -0.50 3.45 4.15 -0.79 -2.04 115.11 121.09 1sgj h GLN 177 Ca 0.05 -0.36 -0.07 0.00 0.77 0.00 0.00 58.65 59.04 1sgj h GLN 177 Cb 1.00 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 1sgj h GLN 177 CO 0.10 1.04 0.02 0.28 -1.93 0.00 0.00 178.83 178.34 1sgj h VAL 178 N 0.90 1.26 -0.71 2.39 2.07 -1.30 -0.76 116.25 120.10 1sgj h VAL 178 Ca 0.15 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1sgj h VAL 178 Cb 0.63 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1sgj h VAL 178 CO 0.04 0.37 0.47 0.00 0.02 0.00 0.00 177.57 178.47 1sgj h ALA 179 N 0.94 0.90 -0.31 1.67 0.00 -1.34 0.49 119.26 121.62 1sgj h ALA 179 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1sgj h ALA 179 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sgj h ALA 179 CO 0.02 0.32 -0.09 1.25 0.00 0.00 0.00 179.25 180.76 1sgj h LEU 180 N 0.97 0.61 -1.01 0.00 5.85 -1.22 -2.27 115.31 118.23 1sgj h LEU 180 Ca 0.26 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1sgj h LEU 180 Cb -0.11 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1sgj h LEU 180 CO -0.06 0.84 -0.12 0.00 -0.34 0.00 0.00 178.44 178.76 1sgj h ALA 181 N 0.79 1.17 -0.57 1.25 0.00 -0.90 -2.05 119.26 118.95 1sgj h ALA 181 Ca 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1sgj h ALA 181 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1sgj h ALA 181 CO 0.03 0.53 0.16 0.00 0.00 0.00 0.00 179.25 179.98 1sgj h ALA 182 N 1.34 0.75 -0.34 0.00 0.00 -0.76 -2.41 119.26 117.85 1sgj h ALA 182 Ca 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sgj h ALA 182 Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1sgj h ALA 182 CO 0.03 0.43 0.19 -0.09 0.00 0.00 0.00 179.25 179.82 1sgj h ARG 183 N 0.81 0.46 0.00 0.00 9.65 -1.06 -0.31 114.38 123.95 1sgj h ARG 183 Ca 0.18 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1sgj h ARG 183 Cb 0.31 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1sgj h ARG 183 CO -0.00 0.37 -0.02 -0.07 2.80 0.00 0.00 179.97 183.05 1sgj h LEU 184 N 0.43 0.00 -1.09 3.80 3.38 -1.21 -2.95 115.31 117.67 1sgj h LEU 184 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1sgj h LEU 184 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1sgj h LEU 184 CO -0.02 0.02 -0.18 0.35 0.09 0.00 0.00 178.44 178.70 1sgj n THR 185 N -3.16 0.00 -1.07 0.22 -2.24 -0.92 -4.98 114.28 102.13 1sgj n THR 185 Ca -0.01 -0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 1sgj n THR 185 Cb 0.22 1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 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 0.96 0.57 3.87 3.38 0.00 -0.63 -4.90 105.19 108.43 1sgj n GLY 186 Ca 0.07 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.07 5.23 -0.04 1.61 1.01 -0.22 -5.01 120.40 120.92 1sgj s VAL 187 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1sgj s VAL 187 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1sgj s VAL 187 CO 0.00 0.46 1.09 0.00 0.00 0.00 0.00 175.10 176.65 1sgj s ALA 188 N -1.21 3.37 -0.20 5.51 0.00 -0.94 -4.33 121.76 123.97 1sgj s ALA 188 Ca 0.25 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 1sgj s ALA 188 Cb -0.14 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1sgj s ALA 188 CO 0.13 -0.52 0.21 0.00 0.00 0.00 0.00 175.76 175.58 1sgj s ALA 189 N 1.65 3.63 -0.20 0.00 0.00 -1.26 -0.74 121.76 124.84 1sgj s ALA 189 Ca 0.53 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 1sgj s ALA 189 Cb -0.23 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1sgj s ALA 189 CO 0.24 -0.01 -0.01 -0.51 0.00 0.00 0.00 175.76 175.46 1sgj s LEU 190 N 0.70 3.20 0.86 0.00 1.43 0.81 -1.12 118.68 124.57 1sgj s LEU 190 Ca 0.11 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1sgj s LEU 190 Cb -0.13 -1.81 0.11 0.00 0.03 0.00 0.00 46.19 44.39 1sgj s LEU 190 CO 0.02 0.06 1.09 -0.62 0.23 0.00 0.00 176.35 177.14 1sgj s ASP 191 N 1.00 3.74 0.71 2.29 2.15 0.82 -2.37 116.67 125.02 1sgj s ASP 191 Ca 0.01 1.60 -0.16 0.00 0.43 0.00 0.00 52.55 54.43 1sgj s ASP 191 Cb -0.14 -2.28 0.03 0.00 -0.30 0.00 0.00 42.92 40.22 1sgj s ASP 191 CO 0.01 -2.49 1.25 0.27 -0.17 0.00 0.00 175.17 174.05 1sgj s ILE 192 N -2.92 2.11 0.61 4.11 -4.36 -1.25 -1.95 121.20 117.55 1sgj s ILE 192 Ca 0.63 0.06 -0.15 0.00 -0.26 0.00 0.00 60.65 60.93 1sgj s ILE 192 Cb -0.18 -2.78 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 1sgj s ILE 192 CO 0.57 -0.02 1.06 -0.69 0.24 0.00 0.00 174.94 176.09 1sgj s VAL 193 N -1.74 3.87 -0.29 8.37 1.01 -1.26 -4.47 120.40 125.89 1sgj s VAL 193 Ca 0.78 0.83 0.03 0.00 0.00 0.00 0.00 61.98 63.63 1sgj s VAL 193 Cb -0.33 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 32.73 1sgj s VAL 193 CO 0.44 -0.57 -0.04 -0.69 0.00 0.00 0.00 175.10 174.23 1sgj s VAL 194 N -2.57 2.24 -1.33 2.92 1.01 -1.26 -5.00 120.40 116.42 1sgj s VAL 194 Ca 0.62 -1.91 0.23 0.00 0.00 0.00 0.00 61.98 60.93 1sgj s VAL 194 Cb -0.15 -2.45 0.36 0.00 0.00 0.00 0.00 36.38 34.13 1sgj s VAL 194 CO 0.40 -0.25 1.76 0.35 0.00 0.00 0.00 175.10 177.36 1sgj n THR 195 N 4.37 0.30 -2.90 3.92 -2.24 -1.26 -4.60 114.28 111.87 1sgj n THR 195 Ca -0.07 0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1sgj n THR 195 Cb 0.42 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1sgj n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sgj s ALA 196 N -2.67 3.23 -0.65 6.98 0.00 -1.26 -4.89 121.76 122.50 1sgj s ALA 196 Ca 0.20 -2.27 0.06 0.00 0.00 0.00 0.00 51.96 49.95 1sgj s ALA 196 Cb 0.16 -3.93 0.38 0.00 0.00 0.00 0.00 23.12 19.73 1sgj s ALA 196 CO 0.37 -2.85 1.08 1.28 0.00 0.00 0.00 175.76 175.64 1sgj n LEU 197 N 7.15 3.21 0.00 0.00 4.77 -1.26 -4.03 117.00 126.84 1sgj n LEU 197 Ca 0.08 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 1sgj n LEU 197 Cb 0.47 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1sgj n LEU 197 CO 0.58 0.43 -0.13 -0.46 -1.33 0.00 0.00 177.39 176.47 1sgj n ASN 198 N 0.29 1.34 -3.92 -1.43 0.23 -1.26 -4.98 115.26 105.53 1sgj n ASN 198 Ca 0.13 -0.37 -0.30 0.00 -0.53 0.00 0.00 54.58 53.51 1sgj n ASN 198 Cb 0.69 1.00 -0.16 0.00 -2.08 0.00 0.00 39.78 39.24 1sgj n ASN 198 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 1sgj s ASP 199 N -1.27 3.71 0.46 0.53 3.84 -1.26 -4.99 116.67 117.69 1sgj s ASP 199 Ca 0.00 -1.11 0.31 0.00 -0.00 0.00 0.00 52.55 51.75 1sgj s ASP 199 Cb 0.00 -1.12 1.41 0.00 -1.38 0.00 0.00 42.92 41.83 1sgj s ASP 199 CO 0.00 -0.24 1.93 1.55 -0.00 0.00 0.00 175.17 178.41 1sgj h PRO 200 N 7.99 0.00 0.05 2.11 0.13 -1.93 -2.83 132.00 137.51 1sgj h PRO 200 Ca -0.18 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.70 1sgj h PRO 200 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1sgj h PRO 200 CO 0.41 0.00 -1.05 0.93 -0.23 0.00 0.00 178.00 178.06 1sgj h GLU 201 N 0.00 0.36 -0.34 0.86 4.39 -1.97 -0.86 114.58 117.01 1sgj h GLU 201 Ca 0.00 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 1sgj h GLU 201 Cb 0.33 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1sgj h GLU 201 CO 0.00 1.14 0.15 1.15 -1.16 0.00 0.00 179.01 180.29 1sgj h THR 202 N 0.17 1.17 -0.31 1.13 2.02 -1.89 -1.24 112.91 113.97 1sgj h THR 202 Ca -0.10 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1sgj h THR 202 Cb 1.71 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1sgj h THR 202 CO 0.18 0.19 0.07 0.15 0.37 0.00 0.00 175.52 176.47 1sgj h PHE 203 N 0.41 0.53 -0.51 3.16 3.57 -1.55 -1.16 116.94 121.39 1sgj h PHE 203 Ca 0.12 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1sgj h PHE 203 Cb 0.15 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1sgj h PHE 203 CO -0.01 0.56 0.25 0.00 -2.23 0.00 0.00 178.31 176.89 1sgj h ARG 204 N 0.35 0.48 -0.28 1.11 3.08 -0.99 0.30 114.38 118.43 1sgj h ARG 204 Ca 0.10 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 1sgj h ARG 204 Cb 0.30 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1sgj h ARG 204 CO 0.00 0.32 -0.34 0.00 -1.07 0.00 0.00 179.97 178.88 1sgj h ALA 205 N 1.28 0.89 -0.28 0.04 0.00 -1.15 -1.70 119.26 118.33 1sgj h ALA 205 Ca 0.23 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1sgj h ALA 205 Cb 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sgj h ALA 205 CO -0.16 0.63 -0.25 0.22 0.00 0.00 0.00 179.25 179.68 1sgj h ASP 206 N 0.51 0.71 -0.57 0.00 -0.00 -0.67 -2.67 116.42 113.72 1sgj h ASP 206 Ca 0.06 -0.46 -0.06 0.00 -0.00 0.00 0.00 57.03 56.57 1sgj h ASP 206 Cb 0.83 -0.20 -0.03 0.00 -0.00 0.00 0.00 39.33 39.93 1sgj h ASP 206 CO 0.07 1.02 0.15 0.00 -0.00 0.00 0.00 179.24 180.48 1sgj h ALA 207 N 0.71 1.12 -0.36 -0.78 0.00 -0.36 -2.18 119.26 117.41 1sgj h ALA 207 Ca 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1sgj h ALA 207 Cb 0.81 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1sgj h ALA 207 CO 0.06 0.59 0.04 1.49 0.00 0.00 0.00 179.25 181.43 1sgj h GLU 208 N 0.90 0.54 -0.26 0.00 4.81 -1.21 -0.00 114.58 119.36 1sgj h GLU 208 Ca 0.19 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1sgj h GLU 208 Cb 0.32 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1sgj h GLU 208 CO -0.00 0.54 -0.18 0.37 -0.73 0.00 0.00 179.01 179.01 1sgj h GLN 209 N 0.53 0.58 -0.56 1.92 5.75 -1.07 -1.75 115.11 120.50 1sgj h GLN 209 Ca 0.12 -0.28 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 1sgj h GLN 209 Cb 0.28 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1sgj h GLN 209 CO 0.00 0.86 0.26 0.78 -2.65 0.00 0.00 178.83 178.08 1sgj h GLY 210 N 0.31 0.88 0.96 2.39 0.00 -0.96 -2.15 103.07 104.50 1sgj h GLY 210 Ca 0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1sgj h GLY 210 CO 0.05 0.42 0.10 -0.09 0.00 0.00 0.00 176.54 177.02 1sgj h ARG 211 N 0.77 0.24 -0.66 4.80 9.65 -0.98 -2.29 114.38 125.91 1sgj h ARG 211 Ca 0.19 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.11 1sgj h ARG 211 Cb 0.14 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 1sgj h ARG 211 CO -0.02 0.21 0.44 0.00 2.80 0.00 0.00 179.97 183.40 1sgj h ALA 212 N 1.01 1.74 0.00 2.80 0.00 -1.10 -2.02 119.26 121.69 1sgj h ALA 212 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sgj h ALA 212 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sgj h ALA 212 CO -0.01 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1sgj n LEU 213 N -4.47 0.00 0.00 0.00 4.77 -0.83 -4.90 117.00 111.57 1sgj n LEU 213 Ca 0.09 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1sgj n LEU 213 Cb 0.22 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1sgj n LEU 213 CO 0.34 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1sgj n GLY 214 N 0.71 0.92 3.77 -0.72 0.00 -0.76 -4.78 105.19 104.34 1sgj n GLY 214 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 3.32 -1.56 1.61 1.51 -0.90 -4.82 117.35 114.51 1sgj s TYR 215 Ca 0.00 1.65 0.19 0.00 -1.01 0.00 0.00 57.07 57.90 1sgj s TYR 215 Cb 0.00 -3.19 -0.05 0.00 -0.11 0.00 0.00 41.96 38.60 1sgj s TYR 215 CO 0.00 -0.68 0.93 -1.13 -1.11 0.00 0.00 175.55 173.56 1sgj n SER 216 N 0.24 1.61 -3.12 2.29 3.41 -0.27 -4.53 113.62 113.24 1sgj n SER 216 Ca 0.04 -1.31 -0.08 0.00 -0.26 0.00 0.00 58.87 57.26 1sgj n SER 216 Cb 0.48 0.60 0.02 0.00 -0.26 0.00 0.00 64.21 65.05 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 -2.33 0.27 -0.09 5.00 0.00 -1.18 -4.21 107.32 104.78 1sgj s GLY 217 Ca 0.14 -0.64 -0.08 0.00 0.00 0.00 0.00 44.72 44.14 1sgj s GLY 217 CO 0.56 -0.14 0.23 1.25 0.00 0.00 0.00 173.10 175.00 1sgj s LYS 218 N -2.60 0.27 0.32 2.90 2.20 -0.78 -0.12 119.74 121.93 1sgj s LYS 218 Ca 0.15 0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.81 1sgj s LYS 218 Cb -0.05 0.12 -0.10 0.00 -1.51 0.00 0.00 37.83 36.29 1sgj s LYS 218 CO 0.10 -0.04 1.24 -0.51 -0.36 0.00 0.00 175.35 175.79 1sgj s LEU 219 N 0.17 4.44 -0.03 5.43 1.43 -0.82 -2.77 118.68 126.53 1sgj s LEU 219 Ca -0.00 2.56 0.05 0.00 -1.03 0.00 0.00 54.13 55.70 1sgj s LEU 219 Cb -0.02 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 1sgj s LEU 219 CO -0.00 -0.44 -0.18 0.00 0.23 0.00 0.00 176.35 175.96 1sgj n ILE 221 N 2.89 0.00 -3.81 0.00 -5.35 -1.26 -1.67 119.36 110.16 1sgj n ILE 221 Ca -0.16 -0.33 -0.14 0.00 -0.27 0.00 0.00 62.75 61.85 1sgj n ILE 221 Cb 0.53 1.04 -0.15 0.00 -1.74 0.00 0.00 39.64 39.32 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 -1.65 -0.01 0.40 4.28 5.04 -1.26 -4.81 115.29 117.29 1sgj s HIS 222 Ca 0.05 0.12 0.24 0.00 -1.54 0.00 0.00 55.06 53.93 1sgj s HIS 222 Cb 0.07 -0.12 1.31 0.00 0.04 0.00 0.00 32.58 33.88 1sgj s HIS 222 CO 0.32 -0.06 1.64 -1.35 -2.34 0.00 0.00 174.74 172.95 1sgj h PRO 223 N 6.77 0.15 -0.04 2.88 0.11 -1.95 0.12 132.00 140.04 1sgj h PRO 223 Ca -0.36 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 1sgj h PRO 223 Cb 1.16 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1sgj h PRO 223 CO 0.48 0.10 -0.17 0.00 -0.21 0.00 0.00 178.00 178.20 1sgj h ALA 224 N 1.72 1.64 0.00 -0.75 0.00 -1.99 -2.53 119.26 117.35 1sgj h ALA 224 Ca 0.78 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.49 1sgj h ALA 224 Cb 2.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.96 1sgj h ALA 224 CO -0.50 0.27 -0.13 1.96 0.00 0.00 0.00 179.25 180.85 1sgj h GLN 225 N 0.06 0.00 -0.04 0.00 4.20 -1.17 -3.20 115.11 114.97 1sgj h GLN 225 Ca 0.01 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1sgj h GLN 225 Cb 0.34 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1sgj h GLN 225 CO 0.02 0.13 -0.09 0.28 -0.67 0.00 0.00 178.83 178.50 1sgj h VAL 226 N 0.00 0.76 -0.82 -0.54 2.07 -1.54 0.99 116.25 117.17 1sgj h VAL 226 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1sgj h VAL 226 Cb 0.55 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1sgj h VAL 226 CO 0.02 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.09 1sgj h ALA 227 N 0.88 1.32 -0.56 1.67 0.00 -1.71 -1.93 119.26 118.92 1sgj h ALA 227 Ca 0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1sgj h ALA 227 Cb 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1sgj h ALA 227 CO -0.12 0.58 -0.06 -0.07 0.00 0.00 0.00 179.25 179.59 1sgj h LEU 228 N 1.13 1.03 -0.35 0.00 3.38 -1.53 -2.87 115.31 116.11 1sgj h LEU 228 Ca 0.29 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sgj h LEU 228 Cb -0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1sgj h LEU 228 CO -0.05 1.12 0.23 0.00 0.09 0.00 0.00 178.44 179.82 1sgj h ALA 229 N 0.95 0.44 0.00 1.53 0.00 -0.29 -1.24 119.26 120.65 1sgj h ALA 229 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sgj h ALA 229 Cb 0.63 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sgj h ALA 229 CO 0.04 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.91 1sgj n HIS 230 N -4.84 0.61 0.13 0.00 8.25 -0.77 -0.71 115.22 117.87 1sgj n HIS 230 Ca -0.00 0.29 -0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1sgj n HIS 230 Cb 0.02 -0.96 0.11 0.00 1.12 0.00 0.00 29.99 30.28 1sgj n HIS 230 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1sgj h GLU 231 N 0.00 0.00 0.00 -0.41 5.08 -1.00 -3.37 114.58 114.88 1sgj h GLU 231 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1sgj h GLU 231 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1sgj h GLU 231 CO 0.00 0.64 -1.68 0.66 -1.00 0.00 0.00 179.01 177.64 1sgj n TYR 232 N -3.50 0.00 -4.47 4.33 4.02 -0.13 -5.01 117.16 112.40 1sgj n TYR 232 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 1sgj n TYR 232 Cb 0.70 -0.48 -0.10 0.00 -0.02 0.00 0.00 39.34 39.44 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 -2.28 3.06 0.00 -0.72 0.08 0.11 -4.94 117.98 113.29 1sgj s PHE 233 Ca -0.05 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1sgj s PHE 233 Cb 0.03 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.70 1sgj s PHE 233 CO 0.41 0.36 0.00 0.41 -0.10 0.00 0.00 175.22 176.31