#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrx s VAL 2 N 0.00 1.25 0.15 2.03 1.01 -1.26 0.14 120.40 123.73 3hrx s VAL 2 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 3hrx s VAL 2 Cb 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 35.10 3hrx s VAL 2 CO 0.00 0.40 0.89 -0.76 0.00 0.00 0.00 175.10 175.63 3hrx s LEU 3 N 1.47 4.56 -0.02 3.92 1.43 0.27 -4.88 118.68 125.43 3hrx s LEU 3 Ca 0.02 1.76 0.06 0.00 -1.03 0.00 0.00 54.13 54.94 3hrx s LEU 3 Cb -0.13 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 3hrx s LEU 3 CO -0.07 0.08 -0.20 -0.54 0.23 0.00 0.00 176.35 175.85 3hrx s LYS 4 N -0.64 1.65 -0.27 1.70 1.02 -1.26 -1.15 119.74 120.80 3hrx s LYS 4 Ca 0.41 -0.70 -0.14 0.00 0.02 0.00 0.00 55.97 55.57 3hrx s LYS 4 Cb -0.24 -1.56 0.09 0.00 -0.52 0.00 0.00 37.83 35.60 3hrx s LYS 4 CO 0.29 0.40 0.64 -1.83 -0.92 0.00 0.00 175.35 173.93 3hrx s GLU 5 N -0.40 0.64 0.22 1.68 -1.05 -0.89 -4.99 118.70 113.91 3hrx s GLU 5 Ca 0.06 1.21 -0.06 0.00 -0.15 0.00 0.00 54.97 56.03 3hrx s GLU 5 Cb -0.08 0.26 -0.06 0.00 -0.44 0.00 0.00 34.13 33.81 3hrx s GLU 5 CO -0.00 -0.16 0.50 1.03 0.95 0.00 0.00 175.26 177.57 3hrx s ARG 6 N 1.88 3.68 -0.30 -4.83 0.52 -1.26 -0.36 118.95 118.27 3hrx s ARG 6 Ca -0.09 0.06 -0.09 0.00 -0.52 0.00 0.00 55.73 55.09 3hrx s ARG 6 Cb -0.07 -2.71 0.18 0.00 0.52 0.00 0.00 34.95 32.87 3hrx s ARG 6 CO -0.19 0.33 0.89 -1.14 0.02 0.00 0.00 175.30 175.21 3hrx s GLN 7 N -3.04 0.32 -1.34 3.54 0.74 0.39 -4.96 119.66 115.31 3hrx s GLN 7 Ca 0.44 0.57 -0.02 0.00 0.05 0.00 0.00 55.36 56.40 3hrx s GLN 7 Cb -0.11 0.31 -0.00 0.00 1.10 0.00 0.00 33.01 34.31 3hrx s GLN 7 CO 0.25 -0.35 0.57 -0.25 -0.55 0.00 0.00 175.29 174.97 3hrx n ASP 8 N 5.46 -1.10 0.00 6.67 8.00 -1.26 -1.31 116.55 133.02 3hrx n ASP 8 Ca -0.05 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3hrx n ASP 8 Cb 0.53 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 3hrx n ASP 8 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hrx n GLY 9 N -1.77 1.50 3.56 0.44 0.00 -1.26 -4.85 105.19 102.81 3hrx n GLY 9 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3hrx n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrx s VAL 10 N -3.54 4.32 -0.37 1.61 1.01 -0.42 -0.39 120.40 122.61 3hrx s VAL 10 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 3hrx s VAL 10 Cb 0.00 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3hrx s VAL 10 CO 0.00 0.48 0.24 -0.22 0.00 0.00 0.00 175.10 175.60 3hrx s LEU 11 N 0.34 4.73 -0.28 3.92 2.96 -0.20 -0.46 118.68 129.70 3hrx s LEU 11 Ca -0.01 -0.74 -0.17 0.00 -0.22 0.00 0.00 54.13 53.00 3hrx s LEU 11 Cb -0.13 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3hrx s LEU 11 CO 0.02 -0.34 0.47 -0.69 -1.32 0.00 0.00 176.35 174.48 3hrx s VAL 12 N 1.66 5.09 -0.18 1.68 1.01 0.51 -1.25 120.40 128.92 3hrx s VAL 12 Ca 0.05 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 3hrx s VAL 12 Cb -0.18 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3hrx s VAL 12 CO 0.09 0.06 -0.03 -0.76 0.00 0.00 0.00 175.10 174.46 3hrx s LEU 13 N 2.25 3.17 -0.17 3.92 1.43 0.14 -2.09 118.68 127.32 3hrx s LEU 13 Ca 0.19 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3hrx s LEU 13 Cb -0.16 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3hrx s LEU 13 CO 0.10 0.10 -0.17 -0.89 0.23 0.00 0.00 176.35 175.72 3hrx s THR 14 N 0.79 1.83 0.10 5.49 2.01 -0.30 -1.42 115.64 124.14 3hrx s THR 14 Ca -0.01 -0.80 -0.31 0.00 0.31 0.00 0.00 61.69 60.88 3hrx s THR 14 Cb -0.14 -1.68 -0.09 0.00 0.01 0.00 0.00 72.50 70.59 3hrx s THR 14 CO 0.02 0.49 1.66 -0.76 -0.69 0.00 0.00 174.62 175.35 3hrx s LEU 15 N 1.38 4.37 -0.70 4.42 1.43 -0.21 -0.57 118.68 128.81 3hrx s LEU 15 Ca 0.05 2.55 0.05 0.00 -1.03 0.00 0.00 54.13 55.75 3hrx s LEU 15 Cb -0.13 -3.57 0.19 0.00 0.03 0.00 0.00 46.19 42.71 3hrx s LEU 15 CO -0.12 -0.89 0.55 -3.20 0.23 0.00 0.00 176.35 172.92 3hrx n ASN 16 N 5.30 3.20 -2.70 2.29 5.15 0.37 -1.06 115.26 127.82 3hrx n ASN 16 Ca 0.16 -3.27 -0.06 0.00 -0.60 0.00 0.00 54.58 50.81 3hrx n ASN 16 Cb 0.40 -0.74 0.08 0.00 -0.53 0.00 0.00 39.78 38.99 3hrx n ASN 16 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hrx n ARG 17 N 1.72 1.25 -0.30 1.20 1.74 -1.26 -4.06 116.66 116.95 3hrx n ARG 17 Ca 0.22 -2.41 0.24 0.00 -0.77 0.00 0.00 57.85 55.12 3hrx n ARG 17 Cb 0.36 -0.56 0.55 0.00 -1.02 0.00 0.00 32.46 31.79 3hrx n ARG 17 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hrx h PRO 18 N 2.29 0.32 0.00 5.56 0.13 -1.84 0.20 132.00 138.66 3hrx h PRO 18 Ca -0.22 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3hrx h PRO 18 Cb 1.25 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hrx h PRO 18 CO 0.14 0.21 -0.08 1.05 -0.23 0.00 0.00 178.00 179.10 3hrx h GLU 19 N 0.33 0.00 -0.25 0.86 9.09 -1.94 -2.09 114.58 120.57 3hrx h GLU 19 Ca 0.55 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.88 3hrx h GLU 19 Cb 1.53 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.58 3hrx h GLU 19 CO -0.22 0.08 -0.08 1.63 0.05 0.00 0.00 179.01 180.47 3hrx n LYS 20 N -3.32 2.08 -3.47 1.06 4.76 0.41 -4.94 118.16 114.75 3hrx n LYS 20 Ca -0.01 -3.01 -0.25 0.00 -2.87 0.00 0.00 58.31 52.17 3hrx n LYS 20 Cb 0.26 -1.77 0.01 0.00 -1.84 0.00 0.00 35.03 31.69 3hrx n LYS 20 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hrx n LEU 21 N -0.98 -1.96 -4.03 -0.35 4.77 -0.79 -0.97 117.00 112.69 3hrx n LEU 21 Ca 0.26 -0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 55.43 3hrx n LEU 21 Cb 0.91 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 3hrx n LEU 21 CO 0.14 0.24 0.04 0.59 -1.33 0.00 0.00 177.39 177.06 3hrx n ASN 22 N -2.46 -3.91 -4.75 -1.43 3.02 0.39 -1.98 115.26 104.14 3hrx n ASN 22 Ca -0.01 -0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 3hrx n ASN 22 Cb 0.55 -3.41 -0.01 0.00 -0.61 0.00 0.00 39.78 36.30 3hrx n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hrx n ALA 23 N -4.54 2.35 -2.56 5.41 0.00 -0.15 -4.29 120.51 116.73 3hrx n ALA 23 Ca 0.03 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 3hrx n ALA 23 Cb 0.52 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 3hrx n ALA 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hrx s ILE 24 N -0.51 4.49 0.23 0.00 1.01 0.13 -4.70 121.20 121.85 3hrx s ILE 24 Ca 0.59 1.80 0.02 0.00 0.00 0.00 0.00 60.65 63.06 3hrx s ILE 24 Cb -0.50 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 37.77 3hrx s ILE 24 CO 0.55 0.15 0.05 0.42 0.00 0.00 0.00 174.94 176.11 3hrx s THR 25 N 0.98 0.69 0.32 2.92 -4.23 -1.26 -0.77 115.64 114.29 3hrx s THR 25 Ca 0.55 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 3hrx s THR 25 Cb -0.25 -2.42 0.20 0.00 1.34 0.00 0.00 72.50 71.37 3hrx s THR 25 CO 0.29 -0.21 1.91 1.23 -0.54 0.00 0.00 174.62 177.29 3hrx h GLY 26 N 2.50 0.79 0.95 3.99 0.00 -1.98 -0.65 103.07 108.66 3hrx h GLY 26 Ca -0.38 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 3hrx h GLY 26 CO 0.62 0.37 0.11 -2.09 0.00 0.00 0.00 176.54 175.55 3hrx h GLU 27 N 0.73 0.69 -0.66 4.80 4.81 -1.99 0.01 114.58 122.96 3hrx h GLU 27 Ca 0.17 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3hrx h GLU 27 Cb 0.16 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3hrx h GLU 27 CO -0.02 0.69 0.19 1.25 -0.73 0.00 0.00 179.01 180.39 3hrx h LEU 28 N 0.56 0.98 -0.65 1.64 5.85 -1.83 -1.84 115.31 120.01 3hrx h LEU 28 Ca 0.14 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 3hrx h LEU 28 Cb 0.31 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3hrx h LEU 28 CO 0.00 0.94 0.09 -0.07 -0.34 0.00 0.00 178.44 179.05 3hrx h LEU 29 N 0.97 1.06 -0.67 2.25 3.38 -0.88 -0.02 115.31 121.41 3hrx h LEU 29 Ca 0.21 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hrx h LEU 29 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3hrx h LEU 29 CO -0.00 1.06 0.40 0.44 0.09 0.00 0.00 178.44 180.43 3hrx h ASP 30 N 1.02 0.80 -0.44 -0.43 3.32 -0.71 0.14 116.42 120.11 3hrx h ASP 30 Ca 0.20 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3hrx h ASP 30 Cb 0.47 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3hrx h ASP 30 CO 0.02 0.63 -0.01 0.00 -1.72 0.00 0.00 179.24 178.16 3hrx h ALA 31 N 1.21 0.60 -0.49 3.45 0.00 -0.99 -1.42 119.26 121.61 3hrx h ALA 31 Ca 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hrx h ALA 31 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hrx h ALA 31 CO -0.04 0.40 0.20 1.25 0.00 0.00 0.00 179.25 181.05 3hrx h LEU 32 N 0.63 0.68 -0.07 0.00 5.85 -0.66 -1.13 115.31 120.62 3hrx h LEU 32 Ca 0.13 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3hrx h LEU 32 Cb 0.51 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3hrx h LEU 32 CO 0.02 0.66 -0.07 0.22 -0.34 0.00 0.00 178.44 178.94 3hrx h TYR 33 N 0.66 -0.17 -0.73 1.25 -0.00 -0.58 0.57 116.97 117.96 3hrx h TYR 33 Ca 0.16 0.01 0.05 0.00 -0.00 0.00 0.00 58.73 58.95 3hrx h TYR 33 Cb 0.20 0.09 -0.05 0.00 -0.00 0.00 0.00 36.73 36.96 3hrx h TYR 33 CO 0.00 -0.11 0.45 0.00 -0.00 0.00 0.00 178.16 178.50 3hrx h ALA 34 N 0.96 0.98 -0.64 1.82 0.00 -1.05 -0.75 119.26 120.58 3hrx h ALA 34 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3hrx h ALA 34 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hrx h ALA 34 CO -0.12 0.19 0.09 0.00 0.00 0.00 0.00 179.25 179.41 3hrx h ALA 35 N 1.34 0.85 -0.55 0.00 0.00 -0.72 -1.77 119.26 118.42 3hrx h ALA 35 Ca 0.31 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hrx h ALA 35 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hrx h ALA 35 CO -0.14 0.63 0.12 -0.07 0.00 0.00 0.00 179.25 179.79 3hrx h LEU 36 N 0.99 0.84 -0.50 0.00 3.38 -0.35 -1.47 115.31 118.20 3hrx h LEU 36 Ca 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hrx h LEU 36 Cb 0.45 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3hrx h LEU 36 CO 0.01 0.86 0.28 0.11 0.09 0.00 0.00 178.44 179.80 3hrx h LYS 37 N 0.78 0.69 -0.29 1.13 1.57 -0.99 0.21 116.57 119.67 3hrx h LYS 37 Ca 0.17 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3hrx h LYS 37 Cb 0.36 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3hrx h LYS 37 CO 0.00 0.53 0.08 1.49 -0.57 0.00 0.00 179.45 180.99 3hrx h GLU 38 N 0.66 0.19 -0.63 3.15 4.81 -1.05 0.30 114.58 122.01 3hrx h GLU 38 Ca 0.18 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3hrx h GLU 38 Cb 0.04 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3hrx h GLU 38 CO -0.03 0.13 0.05 0.78 -0.73 0.00 0.00 179.01 179.21 3hrx h GLY 39 N 0.19 1.15 0.96 1.92 0.00 -1.00 -0.30 103.07 105.98 3hrx h GLY 39 Ca 0.13 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 3hrx h GLY 39 CO -0.15 0.74 0.19 -2.09 0.00 0.00 0.00 176.54 175.22 3hrx h GLU 40 N 0.98 0.65 0.00 4.80 4.57 -0.54 -3.07 114.58 121.97 3hrx h GLU 40 Ca 0.19 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3hrx h GLU 40 Cb 0.50 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3hrx h GLU 40 CO 0.02 0.59 -0.17 0.93 -1.18 0.00 0.00 179.01 179.20 3hrx h GLU 41 N 0.57 0.00 -6.60 1.92 4.39 -0.83 -3.44 114.58 110.59 3hrx h GLU 41 Ca 0.15 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.29 3hrx h GLU 41 Cb 0.17 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 3hrx h GLU 41 CO -0.01 0.00 0.96 0.34 -1.16 0.00 0.00 179.01 179.14 3hrx s ASP 42 N -4.99 6.48 0.61 1.42 -1.08 -0.14 -4.88 116.67 114.10 3hrx s ASP 42 Ca 0.08 0.18 0.31 0.00 -0.52 0.00 0.00 52.55 52.60 3hrx s ASP 42 Cb 0.10 -2.55 1.77 0.00 -1.46 0.00 0.00 42.92 40.78 3hrx s ASP 42 CO 0.65 -1.43 2.12 0.03 0.52 0.00 0.00 175.17 177.06 3hrx h ARG 43 N 9.48 0.00 0.00 4.34 3.08 -1.85 -0.16 114.38 129.26 3hrx h ARG 43 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3hrx h ARG 43 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3hrx h ARG 43 CO 1.17 0.00 -0.02 0.39 -1.07 0.00 0.00 179.97 180.44 3hrx n GLU 44 N -3.59 0.27 -3.10 0.04 1.02 -1.26 -4.65 120.64 109.37 3hrx n GLU 44 Ca 0.00 0.21 -0.41 0.00 -0.02 0.00 0.00 57.16 56.94 3hrx n GLU 44 Cb 0.29 -1.81 -0.06 0.00 -0.02 0.00 0.00 31.44 29.84 3hrx n GLU 44 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hrx s VAL 45 N -3.10 4.90 -0.48 2.62 1.01 -0.08 -4.42 120.40 120.86 3hrx s VAL 45 Ca 0.10 0.73 0.05 0.00 0.00 0.00 0.00 61.98 62.87 3hrx s VAL 45 Cb 0.12 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.58 3hrx s VAL 45 CO 0.60 -0.24 1.03 0.54 0.00 0.00 0.00 175.10 177.03 3hrx n ARG 46 N 5.99 2.33 -3.62 2.72 1.74 0.47 -4.89 116.66 121.40 3hrx n ARG 46 Ca -0.01 -1.58 -0.09 0.00 -0.77 0.00 0.00 57.85 55.41 3hrx n ARG 46 Cb 0.49 -1.12 -0.06 0.00 -1.02 0.00 0.00 32.46 30.74 3hrx n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hrx s ALA 47 N -0.89 -1.99 0.12 7.54 0.00 -1.06 -4.19 121.76 121.28 3hrx s ALA 47 Ca 0.10 1.76 0.10 0.00 0.00 0.00 0.00 51.96 53.92 3hrx s ALA 47 Cb 0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3hrx s ALA 47 CO 0.07 -0.24 -0.25 -0.51 0.00 0.00 0.00 175.76 174.83 3hrx s LEU 48 N -0.27 2.30 -0.13 0.00 1.02 -0.42 -1.03 118.68 120.16 3hrx s LEU 48 Ca 0.02 -0.72 -0.00 0.00 0.02 0.00 0.00 54.13 53.45 3hrx s LEU 48 Cb -0.03 -1.13 0.03 0.00 0.02 0.00 0.00 46.19 45.07 3hrx s LEU 48 CO -0.05 0.15 -0.07 -0.22 0.02 0.00 0.00 176.35 176.18 3hrx s LEU 49 N -1.95 1.29 -0.13 1.79 2.96 -0.38 -0.49 118.68 121.78 3hrx s LEU 49 Ca 0.12 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3hrx s LEU 49 Cb -0.10 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.69 3hrx s LEU 49 CO 0.05 -0.13 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.66 3hrx s LEU 50 N 1.68 3.10 0.35 -0.68 2.96 0.26 0.24 118.68 126.59 3hrx s LEU 50 Ca 0.04 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 3hrx s LEU 50 Cb -0.13 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.86 3hrx s LEU 50 CO -0.08 0.21 0.61 0.28 -1.32 0.00 0.00 176.35 176.05 3hrx s THR 51 N 0.08 0.00 -0.00 3.68 -1.32 -0.51 -0.78 115.64 116.79 3hrx s THR 51 Ca -0.02 -1.33 0.08 0.00 -1.21 0.00 0.00 61.69 59.22 3hrx s THR 51 Cb -0.14 -2.67 -0.02 0.00 -1.51 0.00 0.00 72.50 68.16 3hrx s THR 51 CO 0.03 0.00 -0.26 -0.83 -2.21 0.00 0.00 174.62 171.35 3hrx s GLY 52 N -3.14 1.31 0.39 6.08 0.00 -1.26 -1.04 107.32 109.65 3hrx s GLY 52 Ca 0.23 -1.16 -0.23 0.00 0.00 0.00 0.00 44.72 43.56 3hrx s GLY 52 CO 0.15 -0.99 0.95 0.00 0.00 0.00 0.00 173.10 173.22 3hrx s ALA 53 N -0.66 3.11 0.00 3.20 0.00 -0.22 -4.75 121.76 122.43 3hrx s ALA 53 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3hrx s ALA 53 Cb -0.10 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3hrx s ALA 53 CO -0.00 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.30 3hrx n GLY 54 N -0.12 -1.20 0.22 0.00 0.00 -1.26 -4.30 105.19 98.53 3hrx n GLY 54 Ca 0.05 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.61 3hrx n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hrx h ARG 55 N 0.00 0.00 -5.79 1.61 3.08 -1.89 -3.47 114.38 107.92 3hrx h ARG 55 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3hrx h ARG 55 Cb 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 29.84 3hrx h ARG 55 CO 0.00 0.00 -0.80 0.00 -1.07 0.00 0.00 179.97 178.10 3hrx s ALA 56 N -3.27 1.56 -0.02 0.04 0.00 -1.26 -3.93 121.76 114.87 3hrx s ALA 56 Ca 0.06 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 3hrx s ALA 56 Cb 0.06 -0.17 -0.16 0.00 0.00 0.00 0.00 23.12 22.85 3hrx s ALA 56 CO 0.65 0.26 1.05 0.35 0.00 0.00 0.00 175.76 178.06 3hrx h PHE 57 N 4.07 -0.31 -0.83 0.00 3.57 -1.40 -3.39 116.94 118.64 3hrx h PHE 57 Ca -0.44 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.28 3hrx h PHE 57 Cb 1.19 0.10 -0.32 0.00 2.79 0.00 0.00 35.95 39.71 3hrx h PHE 57 CO 0.63 0.06 0.73 0.45 -2.23 0.00 0.00 178.31 177.94 3hrx s SER 58 N -5.24 -0.03 0.00 0.41 0.15 -0.34 -4.40 113.70 104.25 3hrx s SER 58 Ca -0.13 0.05 0.22 0.00 0.70 0.00 0.00 55.95 56.79 3hrx s SER 58 Cb 0.01 1.02 1.08 0.00 -1.71 0.00 0.00 66.02 66.42 3hrx s SER 58 CO 0.50 -0.01 1.72 0.00 1.20 0.00 0.00 173.24 176.65 3hrx n ALA 59 N 3.35 2.59 0.00 5.45 0.00 -0.84 -1.40 120.51 129.66 3hrx n ALA 59 Ca -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3hrx n ALA 59 Cb 0.56 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3hrx n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrx n GLY 60 N 0.97 -1.80 3.62 0.00 0.00 -1.01 -4.49 105.19 102.48 3hrx n GLY 60 Ca 0.16 -1.83 -0.49 0.00 0.00 0.00 0.00 46.02 43.87 3hrx n GLY 60 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hrx n GLN 61 N 0.00 1.58 -2.62 1.61 -0.06 -1.26 0.22 117.38 116.85 3hrx n GLN 61 Ca 0.00 0.57 -0.43 0.00 -2.00 0.00 0.00 57.00 55.14 3hrx n GLN 61 Cb 0.00 -2.22 -0.02 0.00 -4.06 0.00 0.00 30.24 23.94 3hrx n GLN 61 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3hrx s ASP 62 N 0.49 6.82 0.00 1.69 3.68 0.05 -4.70 116.67 124.71 3hrx s ASP 62 Ca 0.78 0.87 0.07 0.00 2.13 0.00 0.00 52.55 56.40 3hrx s ASP 62 Cb -0.81 -2.55 0.37 0.00 -1.45 0.00 0.00 42.92 38.49 3hrx s ASP 62 CO 0.45 -1.01 1.24 0.18 0.13 0.00 0.00 175.17 176.17 3hrx n LEU 63 N 7.22 0.15 -0.25 -1.34 4.77 -1.26 -4.31 117.00 121.97 3hrx n LEU 63 Ca 0.12 -0.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.04 3hrx n LEU 63 Cb 0.48 -0.02 0.14 0.00 -2.33 0.00 0.00 43.42 41.69 3hrx n LEU 63 CO 0.63 0.03 1.08 0.74 -1.33 0.00 0.00 177.39 178.55 3hrx h THR 64 N 0.17 0.88 0.00 -5.08 2.02 -1.98 -2.63 112.91 106.29 3hrx h THR 64 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3hrx h THR 64 Cb 0.04 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3hrx h THR 64 CO 0.00 0.12 0.00 -0.33 0.37 0.00 0.00 175.52 175.68 3hrx h GLU 65 N 0.64 0.00 -6.67 6.66 3.07 -2.02 -3.46 114.58 112.80 3hrx h GLU 65 Ca 0.35 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.65 3hrx h GLU 65 Cb 0.34 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 28.33 3hrx h GLU 65 CO -0.25 0.00 0.72 0.34 -1.40 0.00 0.00 179.01 178.42 3hrx n PHE 66 N -2.37 2.44 0.00 4.33 7.35 -0.99 -2.07 117.46 126.14 3hrx n PHE 66 Ca 0.04 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 3hrx n PHE 66 Cb 0.35 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.67 3hrx n PHE 66 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hrx n GLY 67 N 2.20 2.63 0.30 7.13 0.00 -1.26 -4.90 105.19 111.29 3hrx n GLY 67 Ca 0.11 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 3hrx n GLY 67 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hrx h ASP 68 N 0.29 0.30 -5.15 1.61 -0.00 -1.77 -3.45 116.42 108.26 3hrx h ASP 68 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.01 3hrx h ASP 68 Cb 0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 39.33 39.18 3hrx h ASP 68 CO 0.00 0.22 0.01 0.00 -0.00 0.00 0.00 179.24 179.47 3hrx s ARG 69 N -5.34 1.62 0.17 4.15 1.70 -1.26 -5.13 118.95 114.86 3hrx s ARG 69 Ca -0.07 -1.14 -0.32 0.00 -0.47 0.00 0.00 55.73 53.72 3hrx s ARG 69 Cb 0.17 0.52 -0.12 0.00 -0.57 0.00 0.00 34.95 34.95 3hrx s ARG 69 CO 0.71 -0.70 1.71 1.17 -1.08 0.00 0.00 175.30 177.11 3hrx n LYS 70 N -0.41 2.60 -1.68 3.89 0.00 -1.26 -4.87 118.16 116.42 3hrx n LYS 70 Ca -0.03 0.94 -0.45 0.00 0.00 0.00 0.00 58.31 58.77 3hrx n LYS 70 Cb 0.61 -2.77 -0.04 0.00 0.00 0.00 0.00 35.03 32.83 3hrx n LYS 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3hrx n PRO 71 N 4.20 2.44 -3.22 1.64 -0.02 -1.26 -4.93 135.00 133.85 3hrx n PRO 71 Ca 0.17 0.89 -0.24 0.00 -2.02 0.00 0.00 63.50 62.29 3hrx n PRO 71 Cb 0.33 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.01 3hrx n PRO 71 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hrx n ASP 72 N 5.68 2.13 0.21 2.55 -0.08 -1.26 -4.94 116.55 120.84 3hrx n ASP 72 Ca 0.20 -3.15 0.05 0.00 -1.51 0.00 0.00 54.79 50.37 3hrx n ASP 72 Cb 0.33 -0.63 0.48 0.00 2.34 0.00 0.00 41.12 43.64 3hrx n ASP 72 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3hrx h TYR 73 N 3.68 0.03 -0.55 -0.67 -1.99 -1.99 -1.98 116.97 113.50 3hrx h TYR 73 Ca 0.13 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 3hrx h TYR 73 Cb 0.77 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.47 3hrx h TYR 73 CO 0.57 0.21 0.07 1.49 -0.00 0.00 0.00 178.16 180.50 3hrx h GLU 74 N 0.02 0.92 -0.12 4.88 4.81 -1.98 0.14 114.58 123.26 3hrx h GLU 74 Ca 0.00 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3hrx h GLU 74 Cb 0.34 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3hrx h GLU 74 CO 0.02 0.90 0.01 0.00 -0.73 0.00 0.00 179.01 179.22 3hrx h ALA 75 N 0.98 0.16 0.19 2.92 0.00 -1.91 0.38 119.26 121.98 3hrx h ALA 75 Ca 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hrx h ALA 75 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hrx h ALA 75 CO 0.02 -0.17 -0.22 1.25 0.00 0.00 0.00 179.25 180.13 3hrx h HIS 76 N -0.05 -0.57 -0.75 0.00 -0.00 -1.23 -0.62 115.15 111.93 3hrx h HIS 76 Ca 0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 3hrx h HIS 76 Cb 0.33 0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.94 3hrx h HIS 76 CO 0.03 -0.32 0.35 -0.07 -0.00 0.00 0.00 177.93 177.92 3hrx h LEU 77 N -0.45 0.99 -1.94 0.26 3.38 -0.72 -0.73 115.31 116.10 3hrx h LEU 77 Ca 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hrx h LEU 77 Cb 0.43 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hrx h LEU 77 CO -0.07 0.85 -0.10 0.03 0.09 0.00 0.00 178.44 179.24 3hrx h ARG 78 N 1.05 0.00 0.10 1.13 3.08 -0.65 0.47 114.38 119.55 3hrx h ARG 78 Ca 0.25 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.04 3hrx h ARG 78 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3hrx h ARG 78 CO -0.03 0.10 -1.26 -0.09 -1.07 0.00 0.00 179.97 177.62 3hrx h ARG 79 N 0.00 0.20 -0.01 0.04 2.43 -0.16 -3.37 114.38 113.51 3hrx h ARG 79 Ca -0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3hrx h ARG 79 Cb 0.21 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3hrx h ARG 79 CO 0.01 1.13 -0.22 0.66 -1.51 0.00 0.00 179.97 180.05 3hrx n TYR 80 N -3.47 0.00 0.21 2.20 4.01 -0.37 -4.40 117.16 115.35 3hrx n TYR 80 Ca -0.08 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.78 3hrx n TYR 80 Cb 1.01 0.00 0.63 0.00 -0.31 0.00 0.00 39.34 40.67 3hrx n TYR 80 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3hrx h ASN 81 N 2.20 0.00 0.21 7.72 2.35 -0.24 0.02 115.58 127.84 3hrx h ASN 81 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3hrx h ASN 81 Cb 0.58 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 3hrx h ASN 81 CO 0.00 0.00 -0.11 0.08 -1.65 0.00 0.00 177.43 175.75 3hrx h ARG 82 N 0.00 0.00 -0.51 0.81 0.11 -1.83 -1.37 114.38 111.59 3hrx h ARG 82 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 3hrx h ARG 82 Cb 0.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.13 3hrx h ARG 82 CO 0.00 0.11 -0.14 0.28 0.10 0.00 0.00 179.97 180.31 3hrx h VAL 83 N 0.00 1.27 -0.21 0.08 2.07 -1.31 -1.46 116.25 116.68 3hrx h VAL 83 Ca -0.00 -1.30 -0.17 0.00 0.82 0.00 0.00 66.70 66.05 3hrx h VAL 83 Cb 0.24 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3hrx h VAL 83 CO 0.01 0.45 -0.57 0.58 0.02 0.00 0.00 177.57 178.07 3hrx h VAL 84 N 0.86 1.31 -0.61 2.57 2.07 -1.47 -1.75 116.25 119.23 3hrx h VAL 84 Ca 0.13 -1.81 0.03 0.00 0.82 0.00 0.00 66.70 65.87 3hrx h VAL 84 Cb 0.72 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3hrx h VAL 84 CO 0.05 0.57 0.36 -0.33 0.02 0.00 0.00 177.57 178.25 3hrx h GLU 85 N 0.49 0.69 -0.15 1.57 4.39 -1.13 -0.92 114.58 119.51 3hrx h GLU 85 Ca 0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3hrx h GLU 85 Cb 1.14 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 3hrx h GLU 85 CO 0.11 0.45 0.06 0.00 -1.16 0.00 0.00 179.01 178.48 3hrx h ALA 86 N 1.28 0.20 0.01 3.43 0.00 -1.07 -0.90 119.26 122.20 3hrx h ALA 86 Ca 0.25 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hrx h ALA 86 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hrx h ALA 86 CO -0.12 -0.22 -0.15 -0.07 0.00 0.00 0.00 179.25 178.68 3hrx h LEU 87 N 0.09 -0.45 -1.63 0.00 3.38 -1.00 -2.36 115.31 113.34 3hrx h LEU 87 Ca 0.05 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3hrx h LEU 87 Cb 0.16 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3hrx h LEU 87 CO -0.00 -0.21 -0.20 0.77 0.09 0.00 0.00 178.44 178.88 3hrx h SER 88 N -0.26 0.00 -0.06 -0.43 4.64 -1.14 -3.03 113.55 113.27 3hrx h SER 88 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3hrx h SER 88 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3hrx h SER 88 CO -0.15 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3hrx n GLY 89 N -0.58 0.31 3.63 -0.77 0.00 -0.35 -4.93 105.19 102.50 3hrx n GLY 89 Ca -0.02 -0.50 -0.50 0.00 0.00 0.00 0.00 46.02 45.00 3hrx n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hrx n LEU 90 N 0.47 2.30 -2.40 0.99 4.77 -0.93 -4.83 117.00 117.38 3hrx n LEU 90 Ca 0.18 1.10 -0.30 0.00 -0.03 0.00 0.00 56.01 56.96 3hrx n LEU 90 Cb 0.41 -1.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.24 3hrx n LEU 90 CO 0.16 -0.68 1.45 -0.62 -1.33 0.00 0.00 177.39 176.37 3hrx n GLU 91 N 3.24 2.41 -3.56 3.23 1.02 -1.26 -4.80 120.64 120.91 3hrx n GLU 91 Ca 0.19 -2.67 -0.10 0.00 -0.02 0.00 0.00 57.16 54.56 3hrx n GLU 91 Cb 0.23 -2.08 -0.04 0.00 -0.02 0.00 0.00 31.44 29.52 3hrx n GLU 91 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3hrx s LYS 92 N -2.84 0.62 0.43 3.49 -2.85 -1.26 -4.57 119.74 112.77 3hrx s LYS 92 Ca 0.52 0.03 -0.25 0.00 -1.00 0.00 0.00 55.97 55.27 3hrx s LYS 92 Cb 0.40 0.29 -0.08 0.00 -2.06 0.00 0.00 37.83 36.38 3hrx s LYS 92 CO -0.16 -0.22 1.33 -1.25 0.10 0.00 0.00 175.35 175.15 3hrx s PRO 93 N -1.63 3.80 -0.15 1.78 0.04 -1.26 -4.86 135.00 132.73 3hrx s PRO 93 Ca 0.00 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.27 3hrx s PRO 93 Cb -0.01 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.89 3hrx s PRO 93 CO -0.01 -0.65 -0.20 -1.17 0.04 0.00 0.00 177.00 175.01 3hrx s LEU 94 N -2.66 2.01 -0.15 -3.56 2.96 -1.26 -1.30 118.68 114.73 3hrx s LEU 94 Ca 0.60 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3hrx s LEU 94 Cb -0.39 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3hrx s LEU 94 CO 0.50 0.04 0.01 -0.69 -1.32 0.00 0.00 176.35 174.88 3hrx s VAL 95 N 1.03 4.34 -0.11 1.68 1.01 0.35 -0.35 120.40 128.35 3hrx s VAL 95 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3hrx s VAL 95 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 3hrx s VAL 95 CO -0.05 0.51 -0.12 -0.69 0.00 0.00 0.00 175.10 174.74 3hrx s VAL 96 N 0.03 3.14 -0.35 2.92 1.01 -0.59 -0.58 120.40 125.98 3hrx s VAL 96 Ca 0.03 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3hrx s VAL 96 Cb -0.13 -2.30 0.10 0.00 0.00 0.00 0.00 36.38 34.04 3hrx s VAL 96 CO 0.02 0.54 0.09 0.00 0.00 0.00 0.00 175.10 175.74 3hrx s ALA 97 N 0.08 2.96 -0.67 5.51 0.00 0.04 -1.07 121.76 128.61 3hrx s ALA 97 Ca -0.05 -2.43 -0.25 0.00 0.00 0.00 0.00 51.96 49.23 3hrx s ALA 97 Cb -0.15 -2.09 0.05 0.00 0.00 0.00 0.00 23.12 20.93 3hrx s ALA 97 CO 0.04 -1.66 1.10 0.08 0.00 0.00 0.00 175.76 175.32 3hrx s VAL 98 N 1.02 4.07 -0.52 0.00 1.01 -0.06 -4.27 120.40 121.65 3hrx s VAL 98 Ca 0.07 0.10 0.24 0.00 0.00 0.00 0.00 61.98 62.39 3hrx s VAL 98 Cb -0.20 -4.76 0.32 0.00 0.00 0.00 0.00 36.38 31.74 3hrx s VAL 98 CO -0.06 -1.57 1.67 -0.55 0.00 0.00 0.00 175.10 174.60 3hrx h ASN 99 N 9.72 0.00 0.00 3.32 -1.07 -1.88 -1.59 115.58 124.08 3hrx h ASN 99 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.09 3hrx h ASN 99 Cb 1.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 3hrx h ASN 99 CO 1.21 0.00 0.00 0.61 0.07 0.00 0.00 177.43 179.32 3hrx n GLY 100 N 1.13 2.67 3.73 9.14 0.00 -1.25 -4.63 105.19 115.97 3hrx n GLY 100 Ca 0.04 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3hrx n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrx s VAL 101 N 0.97 2.89 -0.25 1.61 1.01 -1.26 -2.39 120.40 122.97 3hrx s VAL 101 Ca 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 3hrx s VAL 101 Cb 0.00 -3.44 0.08 0.00 0.00 0.00 0.00 36.38 33.02 3hrx s VAL 101 CO 0.00 0.08 0.03 0.00 0.00 0.00 0.00 175.10 175.22 3hrx s ALA 102 N 0.54 1.55 0.05 5.51 0.00 -0.59 -1.20 121.76 127.62 3hrx s ALA 102 Ca 0.63 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3hrx s ALA 102 Cb -0.40 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 3hrx s ALA 102 CO 0.37 -1.37 -0.07 0.00 0.00 0.00 0.00 175.76 174.68 3hrx s ALA 103 N 1.60 0.60 0.00 0.00 0.00 -0.49 -1.70 121.76 121.77 3hrx s ALA 103 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3hrx s ALA 103 Cb -0.18 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3hrx s ALA 103 CO -0.13 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3hrx n GLY 104 N 1.12 3.17 0.33 0.00 0.00 -0.62 -0.53 105.19 108.66 3hrx n GLY 104 Ca -0.20 -0.19 0.22 0.00 0.00 0.00 0.00 46.02 45.84 3hrx n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrx h ALA 105 N -0.84 1.00 -0.45 4.61 0.00 -1.87 0.36 119.26 122.07 3hrx h ALA 105 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3hrx h ALA 105 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hrx h ALA 105 CO 0.00 0.00 -0.13 0.78 0.00 0.00 0.00 179.25 179.90 3hrx h GLY 106 N 0.42 0.89 1.18 0.00 0.00 -1.01 -0.23 103.07 104.32 3hrx h GLY 106 Ca 0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 47.33 46.44 3hrx h GLY 106 CO 0.00 0.64 -0.59 1.98 0.00 0.00 0.00 176.54 178.57 3hrx h MET 107 N 0.74 0.85 -0.27 4.80 4.05 -0.89 -2.12 114.93 122.09 3hrx h MET 107 Ca 0.12 -0.57 0.05 0.00 -0.28 0.00 0.00 59.70 59.02 3hrx h MET 107 Cb 0.63 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.47 3hrx h MET 107 CO 0.04 1.20 0.00 0.77 0.23 0.00 0.00 176.91 179.16 3hrx h SER 108 N 0.64 -0.10 -0.47 1.39 0.02 -0.96 -1.65 113.55 112.41 3hrx h SER 108 Ca 0.00 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3hrx h SER 108 Cb 1.20 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 3hrx h SER 108 CO 0.13 -0.02 0.19 -0.07 -1.14 0.00 0.00 176.83 175.92 3hrx h LEU 109 N 0.09 0.66 -1.03 5.07 3.38 -1.00 -2.99 115.31 119.49 3hrx h LEU 109 Ca 0.13 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hrx h LEU 109 Cb 0.17 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3hrx h LEU 109 CO -0.21 0.65 0.65 0.00 0.09 0.00 0.00 178.44 179.62 3hrx h ALA 110 N 1.03 1.33 0.00 1.53 0.00 -1.05 -2.18 119.26 119.93 3hrx h ALA 110 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hrx h ALA 110 Cb 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hrx h ALA 110 CO -0.01 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.11 3hrx n LEU 111 N -4.42 0.30 0.00 0.00 4.77 -0.65 -2.44 117.00 114.56 3hrx n LEU 111 Ca 0.13 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 3hrx n LEU 111 Cb 0.06 -0.55 0.57 0.00 -2.33 0.00 0.00 43.42 41.17 3hrx n LEU 111 CO 0.36 -0.43 0.89 0.79 -1.33 0.00 0.00 177.39 177.66 3hrx n TRP 112 N -1.84 0.00 -2.15 -1.77 7.02 -0.82 -4.82 117.44 113.06 3hrx n TRP 112 Ca 0.02 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.14 3hrx n TRP 112 Cb 0.17 -0.37 0.01 0.00 -2.42 0.00 0.00 31.31 28.70 3hrx n TRP 112 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3hrx s GLY 113 N -2.74 2.76 0.07 6.99 0.00 -1.02 -4.88 107.32 108.49 3hrx s GLY 113 Ca 0.18 0.98 -0.13 0.00 0.00 0.00 0.00 44.72 45.75 3hrx s GLY 113 CO 0.40 1.41 1.16 -0.55 0.00 0.00 0.00 173.10 175.51 3hrx h ASP 114 N 1.60 0.86 -3.29 1.64 3.32 -1.01 -3.43 116.42 116.12 3hrx h ASP 114 Ca -0.50 -0.74 -0.58 0.00 0.02 0.00 0.00 57.03 55.23 3hrx h ASP 114 Cb 1.27 -0.27 -0.34 0.00 0.22 0.00 0.00 39.33 40.21 3hrx h ASP 114 CO 0.58 1.55 -0.84 -0.76 -1.72 0.00 0.00 179.24 178.05 3hrx s LEU 115 N -7.94 1.74 -0.08 1.55 2.01 -1.12 -5.05 118.68 109.79 3hrx s LEU 115 Ca -0.09 -0.42 0.04 0.00 0.01 0.00 0.00 54.13 53.66 3hrx s LEU 115 Cb 0.06 -1.08 0.00 0.00 0.01 0.00 0.00 46.19 45.18 3hrx s LEU 115 CO 0.92 0.03 -0.21 -0.13 1.01 0.00 0.00 176.35 177.96 3hrx s ARG 116 N 0.92 2.65 0.07 1.70 0.52 -1.26 -1.55 118.95 122.00 3hrx s ARG 116 Ca -0.08 -0.78 0.09 0.00 -0.52 0.00 0.00 55.73 54.44 3hrx s ARG 116 Cb -0.15 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 3hrx s ARG 116 CO -0.00 0.18 -0.25 -0.51 0.02 0.00 0.00 175.30 174.74 3hrx s LEU 117 N 0.32 2.21 0.04 2.53 1.02 -0.23 0.69 118.68 125.26 3hrx s LEU 117 Ca -0.15 -0.62 0.05 0.00 0.02 0.00 0.00 54.13 53.43 3hrx s LEU 117 Cb -0.17 -1.15 -0.02 0.00 0.02 0.00 0.00 46.19 44.87 3hrx s LEU 117 CO 0.07 0.20 -0.15 0.00 0.02 0.00 0.00 176.35 176.48 3hrx s ALA 118 N -0.89 1.29 0.38 4.21 0.00 -0.40 -0.88 121.76 125.48 3hrx s ALA 118 Ca 0.11 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 3hrx s ALA 118 Cb -0.10 -0.21 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 3hrx s ALA 118 CO 0.03 0.26 0.80 0.00 0.00 0.00 0.00 175.76 176.85 3hrx s ALA 119 N -0.84 3.27 0.31 0.00 0.00 -0.60 -1.33 121.76 122.56 3hrx s ALA 119 Ca 0.03 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 3hrx s ALA 119 Cb -0.08 -2.83 -0.12 0.00 0.00 0.00 0.00 23.12 20.09 3hrx s ALA 119 CO 0.01 0.14 1.54 0.28 0.00 0.00 0.00 175.76 177.73 3hrx n VAL 120 N -0.83 1.25 0.00 0.00 0.31 -0.08 -0.96 118.33 118.02 3hrx n VAL 120 Ca 0.04 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3hrx n VAL 120 Cb 0.54 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3hrx n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hrx n GLY 121 N 1.77 2.52 3.78 2.92 0.00 -1.26 -4.41 105.19 110.52 3hrx n GLY 121 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3hrx n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrx s ALA 122 N -2.66 2.45 0.09 4.61 0.00 -0.13 -4.79 121.76 121.33 3hrx s ALA 122 Ca 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.19 3hrx s ALA 122 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3hrx s ALA 122 CO 0.00 -1.42 0.17 -1.54 0.00 0.00 0.00 175.76 172.97 3hrx s SER 123 N -3.22 0.15 -0.11 0.00 1.04 -1.01 -2.11 113.70 108.46 3hrx s SER 123 Ca 0.62 -0.70 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 3hrx s SER 123 Cb -0.17 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.30 3hrx s SER 123 CO 0.50 -0.73 -0.07 -0.36 0.98 0.00 0.00 173.24 173.57 3hrx s PHE 124 N -3.87 1.39 -0.10 5.02 0.08 0.36 -1.55 117.98 119.31 3hrx s PHE 124 Ca 0.06 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.45 3hrx s PHE 124 Cb 0.05 -1.17 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 3hrx s PHE 124 CO -0.10 -0.48 -0.08 0.99 -0.10 0.00 0.00 175.22 175.45 3hrx s THR 125 N 1.67 0.99 0.25 0.64 2.01 -0.69 -0.48 115.64 120.03 3hrx s THR 125 Ca 0.04 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 3hrx s THR 125 Cb -0.13 -0.99 0.25 0.00 0.01 0.00 0.00 72.50 71.64 3hrx s THR 125 CO -0.07 0.35 1.90 0.71 -0.69 0.00 0.00 174.62 176.82 3hrx h THR 126 N 6.14 1.18 0.00 -0.82 1.35 -1.80 -1.65 112.91 117.31 3hrx h THR 126 Ca -0.30 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3hrx h THR 126 Cb 1.14 -0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 3hrx h THR 126 CO 0.41 0.23 0.00 0.00 -0.25 0.00 0.00 175.52 175.91 3hrx n ALA 127 N -2.36 0.00 -0.25 6.62 0.00 -1.26 -2.43 120.51 120.82 3hrx n ALA 127 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.62 3hrx n ALA 127 Cb 0.08 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.69 3hrx n ALA 127 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3hrx h PHE 128 N 0.00 0.03 0.00 0.00 -1.00 -1.87 -0.10 116.94 114.01 3hrx h PHE 128 Ca 0.00 0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 3hrx h PHE 128 Cb 0.00 0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 3hrx h PHE 128 CO 0.00 -0.20 -0.05 -0.24 -1.61 0.00 0.00 178.31 176.21 3hrx h VAL 129 N 0.14 0.57 0.00 -0.55 3.04 -1.78 -1.20 116.25 116.47 3hrx h VAL 129 Ca 0.41 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.87 3hrx h VAL 129 Cb 0.72 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3hrx h VAL 129 CO -0.62 0.05 -0.06 0.03 -1.01 0.00 0.00 177.57 175.96 3hrx h ARG 130 N 0.00 0.00 -0.14 4.17 3.08 -1.31 -1.55 114.38 118.63 3hrx h ARG 130 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3hrx h ARG 130 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3hrx h ARG 130 CO 0.01 0.06 -0.13 0.44 -1.07 0.00 0.00 179.97 179.27 3hrx n ILE 131 N -3.57 2.20 -2.21 2.04 -5.35 -0.92 -4.97 119.36 106.59 3hrx n ILE 131 Ca -0.02 -2.51 -0.10 0.00 -0.27 0.00 0.00 62.75 59.84 3hrx n ILE 131 Cb 0.17 -0.26 -0.00 0.00 -1.74 0.00 0.00 39.64 37.80 3hrx n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hrx n GLY 132 N -1.09 -0.06 3.65 3.28 0.00 -0.58 -5.04 105.19 105.35 3hrx n GLY 132 Ca 0.22 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 3hrx n GLY 132 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrx s LEU 133 N -3.02 3.00 0.32 0.99 1.43 -0.50 -4.98 118.68 115.93 3hrx s LEU 133 Ca 0.00 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.13 3hrx s LEU 133 Cb -0.00 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3hrx s LEU 133 CO 0.00 -0.31 0.46 0.68 0.23 0.00 0.00 176.35 177.41 3hrx s VAL 134 N -2.55 4.24 0.23 -1.59 -7.23 -1.26 -2.96 120.40 109.28 3hrx s VAL 134 Ca 0.36 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 3hrx s VAL 134 Cb 0.02 -3.47 -0.09 0.00 0.56 0.00 0.00 36.38 33.39 3hrx s VAL 134 CO 0.20 -0.18 1.30 -2.16 -0.31 0.00 0.00 175.10 173.94 3hrx s PRO 135 N -4.15 4.40 0.05 4.82 0.04 -1.26 -4.88 135.00 134.03 3hrx s PRO 135 Ca 0.44 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.55 3hrx s PRO 135 Cb -0.09 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.27 3hrx s PRO 135 CO 0.31 -0.21 0.02 -0.40 0.04 0.00 0.00 177.00 176.76 3hrx n ASP 136 N 2.23 0.76 -2.09 6.66 5.68 -1.26 -4.43 116.55 124.11 3hrx n ASP 136 Ca 0.05 -1.29 -0.19 0.00 -0.50 0.00 0.00 54.79 52.86 3hrx n ASP 136 Cb 0.43 0.16 -0.01 0.00 -1.14 0.00 0.00 41.12 40.55 3hrx n ASP 136 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hrx n SER 137 N -2.16 -5.39 0.00 -1.12 7.64 -1.26 -2.27 113.62 109.06 3hrx n SER 137 Ca -0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3hrx n SER 137 Cb 0.08 -4.46 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 3hrx n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hrx n GLY 138 N -1.00 1.01 0.28 0.23 0.00 -1.26 -4.70 105.19 99.75 3hrx n GLY 138 Ca -0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.81 3hrx n GLY 138 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hrx h LEU 139 N 0.00 0.47 -1.38 0.99 5.85 -1.75 0.01 115.31 119.49 3hrx h LEU 139 Ca 0.00 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3hrx h LEU 139 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3hrx h LEU 139 CO 0.00 0.51 -0.18 0.77 -0.34 0.00 0.00 178.44 179.20 3hrx h SER 140 N 0.49 0.00 0.03 1.25 4.64 -1.82 -1.49 113.55 116.65 3hrx h SER 140 Ca 0.11 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.29 3hrx h SER 140 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3hrx h SER 140 CO 0.00 0.18 -0.76 0.15 -0.87 0.00 0.00 176.83 175.53 3hrx h PHE 141 N 0.00 0.10 -0.06 4.77 3.04 -1.74 -3.41 116.94 119.64 3hrx h PHE 141 Ca -0.00 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.82 3hrx h PHE 141 Cb 0.61 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.12 3hrx h PHE 141 CO 0.00 1.30 -0.19 -0.07 -2.02 0.00 0.00 178.31 177.33 3hrx h LEU 142 N -0.86 0.27 -0.15 0.59 3.38 -0.98 -3.34 115.31 114.23 3hrx h LEU 142 Ca -0.19 -0.62 0.05 0.00 0.09 0.00 0.00 57.88 57.21 3hrx h LEU 142 Cb 1.27 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 3hrx h LEU 142 CO -0.07 0.84 -0.23 0.25 0.09 0.00 0.00 178.44 179.32 3hrx h LEU 143 N -0.29 -0.73 -1.46 1.67 5.85 -1.51 0.15 115.31 118.99 3hrx h LEU 143 Ca -0.01 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3hrx h LEU 143 Cb 0.82 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3hrx h LEU 143 CO 0.04 -0.28 0.04 1.55 -0.34 0.00 0.00 178.44 179.45 3hrx h PRO 144 N -0.29 0.39 -0.32 5.25 0.13 -1.78 -0.61 132.00 134.78 3hrx h PRO 144 Ca 0.11 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 65.03 3hrx h PRO 144 Cb 0.45 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 3hrx h PRO 144 CO -0.31 0.39 -0.36 0.00 -0.23 0.00 0.00 178.00 177.48 3hrx h ARG 145 N 0.38 0.81 -0.11 0.86 3.08 -1.50 0.10 114.38 118.01 3hrx h ARG 145 Ca 0.09 -0.44 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 3hrx h ARG 145 Cb 0.20 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3hrx h ARG 145 CO 0.00 1.08 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.76 3hrx h LEU 146 N 0.58 0.31 -1.65 3.04 3.38 -0.24 -3.37 115.31 117.36 3hrx h LEU 146 Ca 0.04 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3hrx h LEU 146 Cb 0.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hrx h LEU 146 CO 0.09 0.77 0.00 1.33 0.09 0.00 0.00 178.44 180.71 3hrx n VAL 147 N -4.59 0.26 0.00 1.22 0.24 -0.28 -4.85 118.33 110.33 3hrx n VAL 147 Ca -0.07 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 3hrx n VAL 147 Cb 0.37 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 3hrx n VAL 147 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hrx n GLY 148 N 0.21 -0.22 0.32 7.63 0.00 0.35 -4.36 105.19 109.12 3hrx n GLY 148 Ca 0.04 -1.63 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 3hrx n GLY 148 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hrx h LEU 149 N 0.00 1.04 -0.23 0.99 5.85 -1.89 -1.86 115.31 119.20 3hrx h LEU 149 Ca 0.00 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3hrx h LEU 149 Cb 0.00 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3hrx h LEU 149 CO 0.00 1.01 0.07 0.00 -0.34 0.00 0.00 178.44 179.18 3hrx h ALA 150 N 1.11 0.26 -0.25 1.25 0.00 -1.94 0.27 119.26 119.95 3hrx h ALA 150 Ca 0.21 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 3hrx h ALA 150 Cb 0.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hrx h ALA 150 CO 0.01 -0.34 -0.53 0.87 0.00 0.00 0.00 179.25 179.25 3hrx h LYS 151 N 0.18 0.74 -0.86 0.00 1.79 -1.75 -3.06 116.57 113.62 3hrx h LYS 151 Ca 0.10 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 58.10 3hrx h LYS 151 Cb 0.07 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 3hrx h LYS 151 CO -0.11 1.08 0.48 0.00 -1.08 0.00 0.00 179.45 179.82 3hrx h ALA 152 N 0.82 1.10 -0.14 3.86 0.00 -0.99 0.01 119.26 123.92 3hrx h ALA 152 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hrx h ALA 152 Cb 1.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hrx h ALA 152 CO 0.11 0.59 -0.01 1.96 0.00 0.00 0.00 179.25 181.91 3hrx h GLN 153 N 1.19 0.04 -0.07 0.00 4.20 -0.91 -0.27 115.11 119.29 3hrx h GLN 153 Ca 0.30 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 3hrx h GLN 153 Cb 0.01 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3hrx h GLN 153 CO -0.05 0.02 0.03 1.49 -0.67 0.00 0.00 178.83 179.66 3hrx h GLU 154 N 0.04 0.10 -0.69 1.46 4.81 -1.38 -0.52 114.58 118.40 3hrx h GLU 154 Ca 0.07 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3hrx h GLU 154 Cb 0.08 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3hrx h GLU 154 CO -0.12 0.19 0.23 -0.07 -0.73 0.00 0.00 179.01 178.50 3hrx h LEU 155 N -0.01 0.97 0.11 1.64 3.38 -0.84 -1.95 115.31 118.62 3hrx h LEU 155 Ca 0.02 -0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.62 3hrx h LEU 155 Cb 0.12 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hrx h LEU 155 CO -0.00 0.90 -0.89 -0.07 0.09 0.00 0.00 178.44 178.47 3hrx h LEU 156 N 1.01 0.60 -0.11 1.67 3.38 -1.00 -1.99 115.31 118.87 3hrx h LEU 156 Ca 0.23 -0.87 -0.24 0.00 0.09 0.00 0.00 57.88 57.08 3hrx h LEU 156 Cb 0.27 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.84 3hrx h LEU 156 CO -0.01 1.41 -0.94 -0.07 0.09 0.00 0.00 178.44 178.92 3hrx h LEU 157 N -0.13 0.79 0.00 1.67 3.38 -1.13 -3.35 115.31 116.55 3hrx h LEU 157 Ca -0.14 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.23 3hrx h LEU 157 Cb 1.65 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3hrx h LEU 157 CO 0.17 1.40 -1.27 0.18 0.09 0.00 0.00 178.44 179.00 3hrx n LEU 158 N -3.84 0.64 -4.01 1.67 4.77 -0.74 -4.99 117.00 110.50 3hrx n LEU 158 Ca -0.09 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.20 3hrx n LEU 158 Cb 0.83 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.91 3hrx n LEU 158 CO 0.54 0.14 -0.17 -0.24 -1.33 0.00 0.00 177.39 176.33 3hrx n SER 159 N -1.79 -3.90 -4.86 -1.43 2.88 -0.75 -4.95 113.62 98.81 3hrx n SER 159 Ca 0.01 -1.24 -0.31 0.00 -1.33 0.00 0.00 58.87 56.01 3hrx n SER 159 Cb 0.42 -2.05 0.04 0.00 -0.75 0.00 0.00 64.21 61.87 3hrx n SER 159 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3hrx s PRO 160 N -7.13 3.07 -0.42 -1.46 0.04 -1.26 -4.75 135.00 123.09 3hrx s PRO 160 Ca 0.44 0.64 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 3hrx s PRO 160 Cb -0.23 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.30 3hrx s PRO 160 CO 0.95 -0.92 0.65 0.50 0.04 0.00 0.00 177.00 178.22 3hrx s ARG 161 N -5.24 3.35 -0.08 4.56 3.52 -1.26 -4.42 118.95 119.39 3hrx s ARG 161 Ca 0.57 -0.29 -0.22 0.00 -0.13 0.00 0.00 55.73 55.66 3hrx s ARG 161 Cb -0.12 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 3hrx s ARG 161 CO 0.53 -0.97 0.66 -0.51 -0.81 0.00 0.00 175.30 174.21 3hrx s LEU 162 N 2.82 4.30 0.87 -0.88 1.43 0.37 -4.89 118.68 122.71 3hrx s LEU 162 Ca 0.23 1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 54.33 3hrx s LEU 162 Cb -0.14 -3.01 0.12 0.00 0.03 0.00 0.00 46.19 43.18 3hrx s LEU 162 CO 0.18 -0.10 1.10 -0.94 0.23 0.00 0.00 176.35 176.83 3hrx s SER 163 N 0.78 3.77 0.26 2.29 1.04 -1.26 -0.49 113.70 120.09 3hrx s SER 163 Ca 0.35 1.27 -0.04 0.00 0.48 0.00 0.00 55.95 58.01 3hrx s SER 163 Cb -0.17 -1.94 0.32 0.00 0.10 0.00 0.00 66.02 64.32 3hrx s SER 163 CO 0.17 -2.42 1.82 0.00 0.98 0.00 0.00 173.24 173.78 3hrx h ALA 164 N -1.40 1.16 -0.48 5.32 0.00 -1.74 -0.95 119.26 121.17 3hrx h ALA 164 Ca -0.49 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 3hrx h ALA 164 Cb 1.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3hrx h ALA 164 CO 0.58 0.59 0.06 0.93 0.00 0.00 0.00 179.25 181.41 3hrx h GLU 165 N 0.95 0.82 -0.23 0.00 3.07 -1.92 -1.04 114.58 116.23 3hrx h GLU 165 Ca 0.21 -0.23 -0.13 0.00 -0.50 0.00 0.00 59.36 58.72 3hrx h GLU 165 Cb 0.25 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3hrx h GLU 165 CO -0.01 0.83 -0.40 1.49 -1.40 0.00 0.00 179.01 179.52 3hrx h GLU 166 N 0.68 0.53 -0.56 2.33 4.81 -1.88 -2.07 114.58 118.42 3hrx h GLU 166 Ca 0.14 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3hrx h GLU 166 Cb 0.43 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 3hrx h GLU 166 CO 0.01 0.84 0.24 0.00 -0.73 0.00 0.00 179.01 179.37 3hrx h ALA 167 N 1.13 1.36 -0.43 2.92 0.00 -0.90 -1.91 119.26 121.43 3hrx h ALA 167 Ca 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3hrx h ALA 167 Cb 0.88 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3hrx h ALA 167 CO 0.08 0.49 -0.02 1.25 0.00 0.00 0.00 179.25 181.04 3hrx h LEU 168 N 0.80 0.77 -1.04 0.00 5.85 -0.72 0.91 115.31 121.88 3hrx h LEU 168 Ca 0.19 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3hrx h LEU 168 Cb 0.14 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3hrx h LEU 168 CO -0.02 0.90 0.26 0.00 -0.34 0.00 0.00 178.44 179.24 3hrx h ALA 169 N 0.89 1.24 0.00 1.25 0.00 -0.94 -2.94 119.26 118.77 3hrx h ALA 169 Ca 0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3hrx h ALA 169 Cb 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hrx h ALA 169 CO 0.03 0.56 -0.53 -0.07 0.00 0.00 0.00 179.25 179.24 3hrx h LEU 170 N 0.93 0.00 0.00 0.00 3.38 -1.21 -3.48 115.31 114.93 3hrx h LEU 170 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hrx h LEU 170 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hrx h LEU 170 CO -0.02 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.53 3hrx n GLY 171 N 1.22 0.70 0.27 0.83 0.00 -0.30 -4.62 105.19 103.29 3hrx n GLY 171 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3hrx n GLY 171 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hrx h LEU 172 N 0.00 0.00 -8.39 0.99 3.38 -1.16 -3.42 115.31 106.71 3hrx h LEU 172 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 3hrx h LEU 172 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 3hrx h LEU 172 CO 0.00 0.00 -0.70 0.68 0.09 0.00 0.00 178.44 178.51 3hrx s VAL 173 N -5.02 0.65 -0.18 1.22 -7.23 -1.17 -4.87 120.40 103.80 3hrx s VAL 173 Ca -0.05 -1.77 0.22 0.00 -1.81 0.00 0.00 61.98 58.57 3hrx s VAL 173 Cb 0.17 -1.48 -0.26 0.00 0.56 0.00 0.00 36.38 35.37 3hrx s VAL 173 CO 0.66 -0.79 0.65 1.41 -0.31 0.00 0.00 175.10 176.72 3hrx n HIS 174 N 0.24 0.19 -3.62 2.82 8.25 0.22 -4.43 115.22 118.89 3hrx n HIS 174 Ca -0.14 0.06 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 3hrx n HIS 174 Cb 0.60 -0.54 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 3hrx n HIS 174 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3hrx s ARG 175 N -3.43 0.87 -0.06 -0.41 3.52 -1.13 -5.04 118.95 113.27 3hrx s ARG 175 Ca -0.05 0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.92 3hrx s ARG 175 Cb 0.13 0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 33.92 3hrx s ARG 175 CO 0.88 -0.23 -0.22 0.08 -0.81 0.00 0.00 175.30 175.00 3hrx s VAL 176 N -0.81 2.33 0.05 7.11 1.01 -1.26 -1.27 120.40 127.56 3hrx s VAL 176 Ca -0.09 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 3hrx s VAL 176 Cb -0.02 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3hrx s VAL 176 CO 0.06 0.57 0.04 0.68 0.00 0.00 0.00 175.10 176.45 3hrx s VAL 177 N -0.22 0.18 0.35 2.92 -7.23 -0.44 -4.96 120.40 110.99 3hrx s VAL 177 Ca -0.01 -1.47 -0.26 0.00 -1.81 0.00 0.00 61.98 58.42 3hrx s VAL 177 Cb -0.13 -1.25 -0.13 0.00 0.56 0.00 0.00 36.38 35.43 3hrx s VAL 177 CO 0.03 -0.81 1.00 -2.65 -0.31 0.00 0.00 175.10 172.36 3hrx n PRO 178 N 0.34 1.37 -0.34 4.82 -0.02 -1.26 -0.90 135.00 139.01 3hrx n PRO 178 Ca -0.16 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 3hrx n PRO 178 Cb 0.60 -1.93 0.29 0.00 -0.02 0.00 0.00 33.50 32.44 3hrx n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hrx h ALA 179 N 1.80 1.63 0.00 3.55 0.00 -1.90 0.04 119.26 124.38 3hrx h ALA 179 Ca -0.42 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hrx h ALA 179 Cb 1.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hrx h ALA 179 CO 0.59 0.09 0.00 1.05 0.00 0.00 0.00 179.25 180.98 3hrx h GLU 180 N 0.87 0.00 -0.09 0.00 9.09 -1.95 -3.12 114.58 119.38 3hrx h GLU 180 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 3hrx h GLU 180 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 3hrx h GLU 180 CO -0.29 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.40 3hrx n LYS 181 N -2.54 1.07 0.25 1.06 4.76 -0.11 -4.77 118.16 117.87 3hrx n LYS 181 Ca 0.02 -1.34 -0.16 0.00 -2.87 0.00 0.00 58.31 53.97 3hrx n LYS 181 Cb 0.30 -1.20 -0.09 0.00 -1.84 0.00 0.00 35.03 32.20 3hrx n LYS 181 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hrx h LEU 182 N 1.90 -1.24 -1.06 -0.35 5.85 -1.19 -1.65 115.31 117.57 3hrx h LEU 182 Ca 0.00 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hrx h LEU 182 Cb 0.49 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3hrx h LEU 182 CO 0.00 -0.59 0.63 0.24 -0.34 0.00 0.00 178.44 178.38 3hrx h MET 183 N -0.88 1.20 -0.24 1.25 2.86 -1.86 0.19 114.93 117.45 3hrx h MET 183 Ca -0.05 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3hrx h MET 183 Cb 0.77 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3hrx h MET 183 CO -0.06 0.79 0.11 1.49 1.06 0.00 0.00 176.91 180.30 3hrx h GLU 184 N 1.24 0.23 -0.37 1.72 4.81 -1.84 0.30 114.58 120.67 3hrx h GLU 184 Ca 0.37 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.46 3hrx h GLU 184 Cb -0.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3hrx h GLU 184 CO -0.11 0.15 -0.27 0.93 -0.73 0.00 0.00 179.01 178.98 3hrx h GLU 185 N 0.24 0.84 -0.24 1.92 4.39 -0.81 -1.45 114.58 119.46 3hrx h GLU 185 Ca 0.10 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 3hrx h GLU 185 Cb 0.04 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3hrx h GLU 185 CO -0.08 1.05 0.09 0.00 -1.16 0.00 0.00 179.01 178.90 3hrx h ALA 186 N 0.77 0.31 -0.70 3.43 0.00 -0.36 -1.21 119.26 121.50 3hrx h ALA 186 Ca 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3hrx h ALA 186 Cb 0.85 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3hrx h ALA 186 CO 0.07 -0.08 0.27 1.25 0.00 0.00 0.00 179.25 180.76 3hrx h LEU 187 N 0.23 0.98 -0.64 0.00 5.85 -0.41 -0.23 115.31 121.10 3hrx h LEU 187 Ca 0.08 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3hrx h LEU 187 Cb 0.19 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3hrx h LEU 187 CO -0.01 0.90 0.42 -1.28 -0.34 0.00 0.00 178.44 178.13 3hrx h SER 188 N 1.01 0.73 -0.44 1.25 0.87 -1.05 0.12 113.55 116.04 3hrx h SER 188 Ca 0.23 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 3hrx h SER 188 Cb 0.23 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3hrx h SER 188 CO -0.02 0.52 0.02 0.25 -0.53 0.00 0.00 176.83 177.08 3hrx h LEU 189 N 0.86 0.74 -0.71 2.23 5.85 -0.87 -1.94 115.31 121.47 3hrx h LEU 189 Ca 0.24 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3hrx h LEU 189 Cb -0.09 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3hrx h LEU 189 CO -0.06 0.85 0.38 0.00 -0.34 0.00 0.00 178.44 179.27 3hrx h ALA 190 N 0.91 0.91 -0.37 1.25 0.00 -0.58 -0.41 119.26 120.97 3hrx h ALA 190 Ca 0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3hrx h ALA 190 Cb 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hrx h ALA 190 CO 0.02 0.43 -0.09 0.87 0.00 0.00 0.00 179.25 180.48 3hrx h LYS 191 N 0.97 0.63 -0.45 0.00 1.57 -0.65 0.11 116.57 118.75 3hrx h LYS 191 Ca 0.25 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3hrx h LYS 191 Cb 0.05 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3hrx h LYS 191 CO -0.04 0.71 0.08 1.49 -0.57 0.00 0.00 179.45 181.13 3hrx h GLU 192 N 0.58 0.74 -0.13 3.15 4.81 -0.81 -2.50 114.58 120.42 3hrx h GLU 192 Ca 0.11 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 3hrx h GLU 192 Cb 0.51 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3hrx h GLU 192 CO 0.03 0.75 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.71 3hrx h LEU 193 N 0.60 0.23 -0.16 1.64 3.38 -0.61 -2.13 115.31 118.27 3hrx h LEU 193 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hrx h LEU 193 Cb 0.37 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hrx h LEU 193 CO 0.01 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.05 3hrx n ALA 194 N -2.48 1.47 0.79 1.53 0.00 0.33 -0.98 120.51 121.17 3hrx n ALA 194 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.51 3hrx n ALA 194 Cb 0.38 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.65 3hrx n ALA 194 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hrx n GLN 195 N -1.63 1.58 -2.22 0.00 1.13 -0.81 -4.80 117.38 110.63 3hrx n GLN 195 Ca 0.02 -1.08 -0.26 0.00 -1.94 0.00 0.00 57.00 53.74 3hrx n GLN 195 Cb 0.13 -1.34 0.16 0.00 0.11 0.00 0.00 30.24 29.30 3hrx n GLN 195 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hrx n GLY 196 N 1.18 -0.46 3.57 1.08 0.00 -0.15 -4.07 105.19 106.35 3hrx n GLY 196 Ca 0.08 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 3hrx n GLY 196 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hrx s PRO 197 N -5.51 3.03 0.31 1.61 0.04 -1.26 -4.30 135.00 128.91 3hrx s PRO 197 Ca 0.71 -1.19 0.07 0.00 0.04 0.00 0.00 61.00 60.63 3hrx s PRO 197 Cb -0.03 -5.30 0.82 0.00 0.04 0.00 0.00 34.50 30.04 3hrx s PRO 197 CO 0.48 -3.18 1.71 1.15 0.04 0.00 0.00 177.00 177.20 3hrx h THR 198 N 6.34 0.48 -0.26 1.26 2.02 -1.87 0.16 112.91 121.05 3hrx h THR 198 Ca 0.25 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 67.16 3hrx h THR 198 Cb 0.95 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3hrx h THR 198 CO 1.31 0.09 -0.31 0.03 0.37 0.00 0.00 175.52 177.01 3hrx h ARG 199 N 0.47 0.53 -0.53 6.66 2.47 -1.87 -0.21 114.38 121.89 3hrx h ARG 199 Ca 0.61 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 59.01 3hrx h ARG 199 Cb 1.18 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.46 3hrx h ARG 199 CO -0.51 0.78 -0.02 0.00 0.56 0.00 0.00 179.97 180.77 3hrx h ALA 200 N 1.22 0.72 -0.28 0.04 0.00 -1.41 -1.01 119.26 118.54 3hrx h ALA 200 Ca 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3hrx h ALA 200 Cb 0.76 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hrx h ALA 200 CO 0.06 0.56 0.11 1.88 0.00 0.00 0.00 179.25 181.86 3hrx h TYR 201 N 0.83 0.42 -0.24 0.00 0.99 -1.02 -1.05 116.97 116.90 3hrx h TYR 201 Ca 0.15 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.86 3hrx h TYR 201 Cb 0.56 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 38.15 3hrx h TYR 201 CO 0.04 0.42 0.14 0.00 -0.00 0.00 0.00 178.16 178.76 3hrx h ALA 202 N 0.96 0.30 -0.01 3.88 0.00 -0.84 -1.63 119.26 121.91 3hrx h ALA 202 Ca 0.09 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3hrx h ALA 202 Cb 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hrx h ALA 202 CO -0.01 -0.25 -0.61 -0.07 0.00 0.00 0.00 179.25 178.31 3hrx h LEU 203 N 0.29 0.03 -0.40 0.00 3.38 -1.14 -2.52 115.31 114.95 3hrx h LEU 203 Ca 0.09 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3hrx h LEU 203 Cb -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hrx h LEU 203 CO -0.04 0.64 -0.11 0.74 0.09 0.00 0.00 178.44 179.76 3hrx h THR 204 N 0.02 1.28 -0.93 0.22 2.02 -0.98 -2.17 112.91 112.36 3hrx h THR 204 Ca -0.01 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 65.98 3hrx h THR 204 Cb 1.09 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.69 3hrx h THR 204 CO 0.08 0.40 0.61 0.11 0.37 0.00 0.00 175.52 177.09 3hrx h LYS 205 N 0.58 1.23 -0.51 6.66 1.57 -1.17 -1.58 116.57 123.35 3hrx h LYS 205 Ca 0.10 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3hrx h LYS 205 Cb 0.63 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3hrx h LYS 205 CO 0.04 0.83 0.26 -0.22 -0.57 0.00 0.00 179.45 179.79 3hrx h LYS 206 N 1.27 0.73 -0.58 3.15 3.64 -1.19 -0.96 116.57 122.63 3hrx h LYS 206 Ca 0.34 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3hrx h LYS 206 Cb -0.13 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 3hrx h LYS 206 CO -0.07 0.59 0.28 -0.07 -2.27 0.00 0.00 179.45 177.91 3hrx h LEU 207 N 0.68 0.76 -0.62 5.20 3.38 -0.77 -2.77 115.31 121.17 3hrx h LEU 207 Ca 0.18 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3hrx h LEU 207 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3hrx h LEU 207 CO -0.02 0.68 0.07 -0.07 0.09 0.00 0.00 178.44 179.18 3hrx h LEU 208 N 0.78 1.02 -1.41 1.67 3.38 -1.04 -1.22 115.31 118.49 3hrx h LEU 208 Ca 0.20 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hrx h LEU 208 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hrx h LEU 208 CO -0.02 1.04 -0.04 0.25 0.09 0.00 0.00 178.44 179.75 3hrx h LEU 209 N 0.96 0.31 -1.35 1.67 5.85 -1.04 -3.10 115.31 118.61 3hrx h LEU 209 Ca 0.19 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3hrx h LEU 209 Cb 0.47 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3hrx h LEU 209 CO 0.02 0.40 -0.26 -0.62 -0.34 0.00 0.00 178.44 177.64 3hrx n GLU 210 N -4.31 1.65 -0.01 1.25 1.02 -1.06 -4.72 120.64 114.46 3hrx n GLU 210 Ca 0.00 -1.33 -0.11 0.00 -0.02 0.00 0.00 57.16 55.71 3hrx n GLU 210 Cb 0.23 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 3hrx n GLU 210 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hrx h THR 211 N 3.19 1.04 -0.30 2.62 1.03 -1.15 -3.26 112.91 116.08 3hrx h THR 211 Ca 0.00 -0.09 0.02 0.00 -0.01 0.00 0.00 66.41 66.33 3hrx h THR 211 Cb 0.81 0.88 -0.02 0.00 -1.07 0.00 0.00 68.15 68.75 3hrx h THR 211 CO 0.00 0.04 0.20 1.88 -0.01 0.00 0.00 175.52 177.63 3hrx h TYR 212 N 0.16 0.32 0.00 0.00 -1.99 -1.84 -2.62 116.97 111.00 3hrx h TYR 212 Ca 0.05 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3hrx h TYR 212 Cb -0.00 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 38.62 3hrx h TYR 212 CO -0.07 0.20 -0.23 2.89 -0.00 0.00 0.00 178.16 180.95 3hrx n ARG 213 N -4.49 0.04 -3.54 4.88 1.85 -1.23 -4.90 116.66 109.27 3hrx n ARG 213 Ca 0.02 0.02 -0.33 0.00 -1.00 0.00 0.00 57.85 56.57 3hrx n ARG 213 Cb 0.12 -1.54 -0.05 0.00 -1.05 0.00 0.00 32.46 29.94 3hrx n ARG 213 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hrx s LEU 214 N -3.21 4.27 0.72 2.89 1.43 -0.99 -5.09 118.68 118.70 3hrx s LEU 214 Ca 0.12 0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 3hrx s LEU 214 Cb 0.18 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 43.09 3hrx s LEU 214 CO 0.61 0.05 1.08 -0.94 0.23 0.00 0.00 176.35 177.38 3hrx s SER 215 N -2.16 5.25 0.23 2.29 1.04 -1.26 -4.81 113.70 114.28 3hrx s SER 215 Ca 0.40 1.36 -0.07 0.00 0.48 0.00 0.00 55.95 58.13 3hrx s SER 215 Cb -0.13 -2.20 0.31 0.00 0.10 0.00 0.00 66.02 64.11 3hrx s SER 215 CO 0.21 -1.49 1.83 0.25 0.98 0.00 0.00 173.24 175.02 3hrx h LEU 216 N -0.76 0.71 -0.47 2.42 5.85 -1.98 -0.67 115.31 120.41 3hrx h LEU 216 Ca -0.45 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3hrx h LEU 216 Cb 1.24 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3hrx h LEU 216 CO 0.60 0.44 0.24 0.74 -0.34 0.00 0.00 178.44 180.13 3hrx h THR 217 N 0.84 0.97 -0.64 1.05 2.02 -1.99 0.78 112.91 115.93 3hrx h THR 217 Ca 0.35 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.30 3hrx h THR 217 Cb 0.21 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3hrx h THR 217 CO -0.19 0.09 0.13 -0.33 0.37 0.00 0.00 175.52 175.59 3hrx h GLU 218 N 0.48 1.04 -0.34 6.66 5.08 -1.77 -1.80 114.58 123.92 3hrx h GLU 218 Ca 0.20 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3hrx h GLU 218 Cb 0.10 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3hrx h GLU 218 CO -0.14 0.95 0.15 0.00 -1.00 0.00 0.00 179.01 178.98 3hrx h ALA 219 N 1.04 0.45 -0.89 3.43 0.00 -0.56 -0.75 119.26 121.98 3hrx h ALA 219 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hrx h ALA 219 Cb 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3hrx h ALA 219 CO 0.01 0.03 0.53 -0.07 0.00 0.00 0.00 179.25 179.75 3hrx h LEU 220 N 0.41 1.07 -0.61 0.00 3.38 -0.73 0.21 115.31 119.05 3hrx h LEU 220 Ca 0.12 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3hrx h LEU 220 Cb 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3hrx h LEU 220 CO -0.01 0.83 0.06 0.00 0.09 0.00 0.00 178.44 179.41 3hrx h ALA 221 N 1.35 0.82 -0.47 1.53 0.00 -1.01 -1.44 119.26 120.04 3hrx h ALA 221 Ca 0.32 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3hrx h ALA 221 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hrx h ALA 221 CO -0.06 0.61 -0.19 1.25 0.00 0.00 0.00 179.25 180.86 3hrx h LEU 222 N 0.95 0.97 -0.73 0.00 5.85 -0.63 -1.49 115.31 120.22 3hrx h LEU 222 Ca 0.18 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3hrx h LEU 222 Cb 0.48 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3hrx h LEU 222 CO 0.02 1.13 0.48 -0.33 -0.34 0.00 0.00 178.44 179.39 3hrx h GLU 223 N 0.83 0.94 -0.25 1.25 5.08 -0.75 -0.25 114.58 121.42 3hrx h GLU 223 Ca 0.11 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hrx h GLU 223 Cb 0.75 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3hrx h GLU 223 CO 0.06 0.62 0.16 0.00 -1.00 0.00 0.00 179.01 178.85 3hrx h ALA 224 N 1.28 0.32 0.03 3.43 0.00 -0.91 0.13 119.26 123.54 3hrx h ALA 224 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hrx h ALA 224 Cb -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hrx h ALA 224 CO -0.07 -0.18 -0.01 0.28 0.00 0.00 0.00 179.25 179.26 3hrx h VAL 225 N 0.33 1.05 -0.11 0.00 2.07 -0.84 -1.35 116.25 117.39 3hrx h VAL 225 Ca 0.09 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 3hrx h VAL 225 Cb -0.00 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3hrx h VAL 225 CO -0.02 0.06 -0.42 -0.07 0.02 0.00 0.00 177.57 177.14 3hrx h LEU 226 N -0.14 0.27 -0.75 2.57 3.38 -0.98 -2.53 115.31 117.13 3hrx h LEU 226 Ca -0.00 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3hrx h LEU 226 Cb 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3hrx h LEU 226 CO 0.01 0.67 -0.34 -0.61 0.09 0.00 0.00 178.44 178.25 3hrx h GLN 227 N 0.22 0.56 -0.90 1.13 5.75 -0.66 0.27 115.11 121.48 3hrx h GLN 227 Ca 0.02 -0.26 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 3hrx h GLN 227 Cb 0.84 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.33 3hrx h GLN 227 CO 0.07 0.83 0.59 0.78 -2.65 0.00 0.00 178.83 178.44 3hrx h GLY 228 N 1.04 1.28 0.62 2.39 0.00 -0.85 0.52 103.07 108.08 3hrx h GLY 228 Ca 0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3hrx h GLY 228 CO 0.07 0.41 -0.01 1.46 0.00 0.00 0.00 176.54 178.47 3hrx h GLN 229 N 1.17 0.05 -0.98 4.80 4.20 -1.03 -2.96 115.11 120.35 3hrx h GLN 229 Ca 0.34 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.06 3hrx h GLN 229 Cb -0.06 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 3hrx h GLN 229 CO -0.10 0.44 0.64 0.00 -0.67 0.00 0.00 178.83 179.14 3hrx h ALA 230 N 0.61 1.27 0.00 3.87 0.00 -0.58 -1.59 119.26 122.84 3hrx h ALA 230 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hrx h ALA 230 Cb 0.42 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hrx h ALA 230 CO 0.00 0.59 0.00 0.78 0.00 0.00 0.00 179.25 180.62 3hrx h GLY 231 N 1.29 0.00 1.09 0.00 0.00 0.11 -2.21 103.07 103.34 3hrx h GLY 231 Ca 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 3hrx h GLY 231 CO -0.10 0.00 -0.98 1.46 0.00 0.00 0.00 176.54 176.93 3hrx h GLN 232 N 0.00 0.00 -7.19 4.80 1.08 -1.12 -3.45 115.11 109.23 3hrx h GLN 232 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 3hrx h GLN 232 Cb 0.14 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 27.75 3hrx h GLN 232 CO 0.00 0.05 0.38 0.95 -0.95 0.00 0.00 178.83 179.26 3hrx s THR 233 N -3.28 2.08 -0.27 -0.54 -4.23 -0.83 -4.90 115.64 103.66 3hrx s THR 233 Ca -0.00 0.04 0.26 0.00 -1.18 0.00 0.00 61.69 60.80 3hrx s THR 233 Cb 0.09 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.71 3hrx s THR 233 CO 0.78 -0.02 1.71 0.06 -0.54 0.00 0.00 174.62 176.62 3hrx h GLN 234 N -0.58 0.00 -0.27 3.99 3.07 -1.78 -2.94 115.11 116.60 3hrx h GLN 234 Ca -0.47 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.20 3hrx h GLN 234 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.85 3hrx h GLN 234 CO 0.48 0.02 -0.13 -0.44 0.09 0.00 0.00 178.83 178.85 3hrx h ASP 235 N 0.00 0.43 -0.40 0.06 3.45 -0.87 -0.89 116.42 118.21 3hrx h ASP 235 Ca -0.00 -0.11 -0.15 0.00 0.43 0.00 0.00 57.03 57.20 3hrx h ASP 235 Cb 0.87 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.52 3hrx h ASP 235 CO 0.00 0.59 -0.34 -0.74 -1.57 0.00 0.00 179.24 177.19 3hrx h HIS 236 N 0.41 1.10 -0.08 4.55 2.76 -1.75 0.20 115.15 122.35 3hrx h HIS 236 Ca 0.08 -0.32 -0.00 0.00 -2.20 0.00 0.00 60.37 57.93 3hrx h HIS 236 Cb 0.48 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 3hrx h HIS 236 CO 0.01 1.14 0.05 1.49 -1.30 0.00 0.00 177.93 179.32 3hrx h GLU 237 N 0.75 0.11 -0.92 5.26 4.81 -1.48 -0.63 114.58 122.48 3hrx h GLU 237 Ca 0.07 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3hrx h GLU 237 Cb 0.93 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 3hrx h GLU 237 CO 0.09 0.12 0.60 1.49 -0.73 0.00 0.00 179.01 180.57 3hrx h GLU 238 N 0.07 1.16 -0.14 1.92 4.57 -1.06 -0.34 114.58 120.76 3hrx h GLU 238 Ca 0.03 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3hrx h GLU 238 Cb 0.04 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 3hrx h GLU 238 CO -0.01 0.77 0.01 0.78 -1.18 0.00 0.00 179.01 179.38 3hrx h GLY 239 N 1.19 0.14 0.97 1.92 0.00 0.06 0.22 103.07 107.57 3hrx h GLY 239 Ca 0.35 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.64 3hrx h GLY 239 CO -0.10 -0.02 0.09 -2.08 0.00 0.00 0.00 176.54 174.44 3hrx h VAL 240 N 0.06 1.24 -0.29 4.60 2.07 -0.74 -1.90 116.25 121.29 3hrx h VAL 240 Ca 0.06 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3hrx h VAL 240 Cb 0.07 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3hrx h VAL 240 CO -0.10 0.31 0.17 0.03 0.02 0.00 0.00 177.57 178.00 3hrx h ARG 241 N 0.63 0.39 -0.53 1.57 -0.00 -0.79 -1.09 114.38 114.56 3hrx h ARG 241 Ca 0.14 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.58 3hrx h ARG 241 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.22 3hrx h ARG 241 CO 0.01 0.31 0.30 0.00 0.00 0.00 0.00 179.97 180.58 3hrx h ALA 242 N 1.06 1.53 -0.26 0.04 0.00 -0.45 0.16 119.26 121.34 3hrx h ALA 242 Ca 0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3hrx h ALA 242 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hrx h ALA 242 CO -0.02 0.40 -0.16 0.35 0.00 0.00 0.00 179.25 179.82 3hrx h PHE 243 N 0.73 0.66 -0.17 0.00 3.04 -0.87 0.29 116.94 120.62 3hrx h PHE 243 Ca 0.19 -0.18 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 3hrx h PHE 243 Cb 0.01 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 3hrx h PHE 243 CO 0.00 0.84 0.01 0.00 -2.02 0.00 0.00 178.31 177.14 3hrx h ARG 244 N 0.28 0.30 0.00 1.11 3.08 -0.80 -2.51 114.38 115.84 3hrx h ARG 244 Ca 0.05 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hrx h ARG 244 Cb 0.69 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3hrx h ARG 244 CO 0.05 0.50 0.00 0.39 -1.07 0.00 0.00 179.97 179.84 3hrx n GLU 245 N -4.74 0.70 -3.90 0.04 1.02 0.54 -4.87 120.64 109.42 3hrx n GLU 245 Ca -0.05 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 3hrx n GLU 245 Cb 0.21 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.23 3hrx n GLU 245 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hrx n LYS 246 N -0.91 -4.45 -4.19 3.49 -0.00 -0.41 -4.98 118.16 106.71 3hrx n LYS 246 Ca 0.14 0.52 -0.13 0.00 -0.00 0.00 0.00 58.31 58.84 3hrx n LYS 246 Cb 0.06 -5.10 -0.10 0.00 -0.00 0.00 0.00 35.03 29.89 3hrx n LYS 246 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3hrx s ARG 247 N -6.46 0.89 0.23 -1.58 1.70 0.89 -5.03 118.95 109.60 3hrx s ARG 247 Ca 0.31 -1.30 -0.30 0.00 -0.47 0.00 0.00 55.73 53.97 3hrx s ARG 247 Cb -0.16 -0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 33.72 3hrx s ARG 247 CO 0.85 0.04 1.33 -1.25 -1.08 0.00 0.00 175.30 175.19 3hrx s PRO 248 N -3.44 4.37 0.57 3.89 0.04 -1.26 -4.31 135.00 134.87 3hrx s PRO 248 Ca 0.11 2.12 -0.17 0.00 0.04 0.00 0.00 61.00 63.09 3hrx s PRO 248 Cb 0.02 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 3hrx s PRO 248 CO -0.02 -0.26 1.05 -1.25 0.04 0.00 0.00 177.00 176.57 3hrx s PRO 249 N -0.47 3.43 -0.67 0.56 0.04 -1.26 -4.96 135.00 131.68 3hrx s PRO 249 Ca 0.55 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.85 3hrx s PRO 249 Cb -0.38 -2.05 0.16 0.00 0.04 0.00 0.00 34.50 32.28 3hrx s PRO 249 CO 0.41 -0.73 0.46 1.03 0.04 0.00 0.00 177.00 178.22 3hrx s ARG 250 N -3.88 2.49 0.46 4.56 0.52 -1.26 -5.09 118.95 116.75 3hrx s ARG 250 Ca 0.64 -2.93 -0.21 0.00 -0.52 0.00 0.00 55.73 52.71 3hrx s ARG 250 Cb -0.16 -3.56 -0.09 0.00 0.52 0.00 0.00 34.95 31.66 3hrx s ARG 250 CO 0.33 -1.20 1.04 -0.06 0.02 0.00 0.00 175.30 175.43 3hrx s PHE 251 N -0.77 3.08 0.00 -0.53 2.99 -1.26 -4.98 117.98 116.51 3hrx s PHE 251 Ca 0.21 1.60 0.00 0.00 0.00 0.00 0.00 56.93 58.74 3hrx s PHE 251 Cb -0.15 -3.08 0.00 0.00 0.00 0.00 0.00 43.02 39.79 3hrx s PHE 251 CO -0.08 -0.76 0.32 1.04 -0.00 0.00 0.00 175.22 175.74 3hrx n GLN 252 N -0.69 0.80 -1.70 0.44 1.13 -1.26 -4.81 117.38 111.29 3hrx n GLN 252 Ca 0.08 -0.32 0.00 0.00 -1.94 0.00 0.00 57.00 54.82 3hrx n GLN 252 Cb 0.52 -0.79 0.00 0.00 0.11 0.00 0.00 30.24 30.07 3hrx n GLN 252 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hrx n GLY 253 N 0.20 0.41 0.00 1.08 0.00 -1.26 -4.94 105.19 100.68 3hrx n GLY 253 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3hrx n GLY 253 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36