#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 0.49 0.35 1.12 1.01 -1.26 -0.21 120.40 121.90 3hrx s VAL 2 Ca 0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 3hrx s VAL 2 Cb 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 3hrx s VAL 2 CO 0.00 -0.05 1.06 -0.76 0.00 0.00 0.00 175.10 175.35 3hrx s LEU 3 N 1.89 4.31 -0.06 3.92 1.43 0.01 -4.85 118.68 125.33 3hrx s LEU 3 Ca 0.01 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.26 3hrx s LEU 3 Cb -0.15 -3.95 0.01 0.00 0.03 0.00 0.00 46.19 42.12 3hrx s LEU 3 CO -0.07 -0.34 -0.15 -0.54 0.23 0.00 0.00 176.35 175.48 3hrx s LYS 4 N -2.05 1.92 -0.11 1.70 1.02 -1.26 -1.44 119.74 119.52 3hrx s LYS 4 Ca 0.52 -0.54 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 3hrx s LYS 4 Cb -0.26 -1.57 0.03 0.00 -0.52 0.00 0.00 37.83 35.51 3hrx s LYS 4 CO 0.33 0.11 0.27 -2.00 -0.92 0.00 0.00 175.35 173.14 3hrx s GLU 5 N 0.42 0.29 -0.09 1.68 2.12 -0.59 -4.99 118.70 117.54 3hrx s GLU 5 Ca -0.12 0.44 -0.00 0.00 0.36 0.00 0.00 54.97 55.65 3hrx s GLU 5 Cb -0.15 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 3hrx s GLU 5 CO 0.04 -0.08 -0.07 1.03 -0.54 0.00 0.00 175.26 175.64 3hrx s ARG 6 N 0.53 2.99 -0.21 4.30 0.52 -1.26 0.82 118.95 126.64 3hrx s ARG 6 Ca -0.03 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.58 3hrx s ARG 6 Cb -0.05 -2.65 0.11 0.00 0.52 0.00 0.00 34.95 32.88 3hrx s ARG 6 CO -0.03 0.54 0.34 -0.65 0.02 0.00 0.00 175.30 175.52 3hrx s GLN 7 N -0.46 0.29 -1.26 3.54 -0.21 0.28 -4.96 119.66 116.87 3hrx s GLN 7 Ca 0.07 0.58 -0.18 0.00 0.02 0.00 0.00 55.36 55.85 3hrx s GLN 7 Cb -0.12 -0.42 0.01 0.00 1.00 0.00 0.00 33.01 33.48 3hrx s GLN 7 CO 0.02 -0.54 0.60 -0.25 -2.12 0.00 0.00 175.29 173.00 3hrx n ASP 8 N 5.36 -3.21 0.00 5.90 8.00 -1.26 -0.90 116.55 130.44 3hrx n ASP 8 Ca -0.05 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3hrx n ASP 8 Cb 0.50 -2.64 0.00 0.00 -0.02 0.00 0.00 41.12 38.96 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 -1.96 1.01 3.52 0.44 0.00 -1.26 -4.86 105.19 102.08 3hrx n GLY 9 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.86 4.11 -0.36 1.61 1.01 -0.08 -0.20 120.40 122.63 3hrx s VAL 10 Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3hrx s VAL 10 Cb 0.00 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3hrx s VAL 10 CO 0.00 0.47 0.34 -0.22 0.00 0.00 0.00 175.10 175.69 3hrx s LEU 11 N 0.50 4.59 -0.26 3.92 2.96 -0.19 -0.56 118.68 129.64 3hrx s LEU 11 Ca -0.01 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.34 3hrx s LEU 11 Cb -0.14 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3hrx s LEU 11 CO 0.02 -0.36 0.35 -0.69 -1.32 0.00 0.00 176.35 174.35 3hrx s VAL 12 N 1.92 5.20 -0.19 1.68 1.01 0.24 -1.18 120.40 129.09 3hrx s VAL 12 Ca 0.10 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 3hrx s VAL 12 Cb -0.17 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3hrx s VAL 12 CO 0.11 0.19 -0.06 -0.76 0.00 0.00 0.00 175.10 174.59 3hrx s LEU 13 N 1.87 2.94 -0.20 3.92 1.43 0.11 -1.54 118.68 127.21 3hrx s LEU 13 Ca 0.14 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3hrx s LEU 13 Cb -0.15 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.38 3hrx s LEU 13 CO 0.09 0.06 -0.15 -0.89 0.23 0.00 0.00 176.35 175.69 3hrx s THR 14 N 0.98 1.99 0.24 5.49 2.01 -0.52 -1.33 115.64 124.50 3hrx s THR 14 Ca -0.00 -1.14 -0.31 0.00 0.31 0.00 0.00 61.69 60.55 3hrx s THR 14 Cb -0.15 -1.94 -0.12 0.00 0.01 0.00 0.00 72.50 70.31 3hrx s THR 14 CO 0.00 0.30 1.67 -0.76 -0.69 0.00 0.00 174.62 175.15 3hrx s LEU 15 N 1.26 4.36 -0.52 4.42 1.43 -0.14 -0.81 118.68 128.68 3hrx s LEU 15 Ca -0.00 2.91 0.07 0.00 -1.03 0.00 0.00 54.13 56.07 3hrx s LEU 15 Cb -0.16 -3.61 0.24 0.00 0.03 0.00 0.00 46.19 42.69 3hrx s LEU 15 CO -0.10 -0.95 0.62 -3.20 0.23 0.00 0.00 176.35 172.95 3hrx n ASN 16 N 3.20 1.91 -2.89 2.29 5.15 0.70 -1.00 115.26 124.63 3hrx n ASN 16 Ca 0.13 -3.05 -0.13 0.00 -0.60 0.00 0.00 54.58 50.93 3hrx n ASN 16 Cb 0.36 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 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 1.23 1.14 -0.32 1.20 1.74 -1.26 -4.40 116.66 115.98 3hrx n ARG 17 Ca 0.25 -3.35 0.13 0.00 -0.77 0.00 0.00 57.85 54.11 3hrx n ARG 17 Cb 0.47 -1.48 0.31 0.00 -1.02 0.00 0.00 32.46 30.74 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 2.99 0.50 0.00 5.56 0.13 -1.86 0.32 132.00 139.65 3hrx h PRO 18 Ca -0.00 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 3hrx h PRO 18 Cb 1.07 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 3hrx h PRO 18 CO 0.51 0.33 -0.13 1.05 -0.23 0.00 0.00 178.00 179.54 3hrx h GLU 19 N 0.52 0.00 -0.53 0.86 9.09 -1.94 -1.34 114.58 121.24 3hrx h GLU 19 Ca 0.56 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.97 3hrx h GLU 19 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.09 3hrx h GLU 19 CO -0.47 0.13 0.00 1.63 0.05 0.00 0.00 179.01 180.35 3hrx n LYS 20 N -4.14 4.14 -3.16 1.06 4.76 -0.16 -4.92 118.16 115.73 3hrx n LYS 20 Ca -0.02 -2.99 -0.23 0.00 -2.87 0.00 0.00 58.31 52.20 3hrx n LYS 20 Cb 0.21 -2.05 0.03 0.00 -1.84 0.00 0.00 35.03 31.38 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 0.56 -2.43 -3.41 -0.35 4.77 -0.50 -1.62 117.00 114.00 3hrx n LEU 21 Ca 0.25 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 3hrx n LEU 21 Cb 1.03 -2.76 0.01 0.00 -2.33 0.00 0.00 43.42 39.37 3hrx n LEU 21 CO 0.26 0.24 0.00 0.59 -1.33 0.00 0.00 177.39 177.16 3hrx n ASN 22 N -2.50 -4.52 -4.68 -1.43 3.02 0.95 -2.05 115.26 104.05 3hrx n ASN 22 Ca -0.08 -0.46 -0.40 0.00 -0.03 0.00 0.00 54.58 53.62 3hrx n ASN 22 Cb 0.59 -3.68 0.03 0.00 -0.61 0.00 0.00 39.78 36.11 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 -3.79 1.00 -2.55 5.41 0.00 -0.64 -4.26 120.51 115.67 3hrx n ALA 23 Ca -0.02 0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 3hrx n ALA 23 Cb 0.56 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.28 4.99 0.27 0.00 1.01 0.17 -4.70 121.20 121.65 3hrx s ILE 24 Ca 0.66 1.16 0.03 0.00 0.00 0.00 0.00 60.65 62.50 3hrx s ILE 24 Cb -0.48 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.04 3hrx s ILE 24 CO 0.54 0.40 0.03 0.42 0.00 0.00 0.00 174.94 176.33 3hrx s THR 25 N -0.04 1.05 0.28 2.92 -4.23 -1.26 -1.09 115.64 113.28 3hrx s THR 25 Ca 0.30 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.75 3hrx s THR 25 Cb -0.17 -2.53 0.25 0.00 1.34 0.00 0.00 72.50 71.39 3hrx s THR 25 CO 0.15 -0.17 1.95 1.23 -0.54 0.00 0.00 174.62 177.24 3hrx h GLY 26 N 2.34 1.21 1.01 3.99 0.00 -1.98 -1.36 103.07 108.28 3hrx h GLY 26 Ca -0.39 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 3hrx h GLY 26 CO 0.66 0.46 0.40 -2.09 0.00 0.00 0.00 176.54 175.96 3hrx h GLU 27 N 1.16 1.00 -0.37 4.80 4.81 -1.99 -0.20 114.58 123.80 3hrx h GLU 27 Ca 0.31 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3hrx h GLU 27 Cb -0.11 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.06 3hrx h GLU 27 CO -0.06 0.74 0.14 1.25 -0.73 0.00 0.00 179.01 180.35 3hrx h LEU 28 N 0.99 0.51 -0.84 1.64 5.85 -1.76 -1.80 115.31 119.90 3hrx h LEU 28 Ca 0.25 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3hrx h LEU 28 Cb 0.03 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3hrx h LEU 28 CO -0.04 0.55 0.38 -0.07 -0.34 0.00 0.00 178.44 178.92 3hrx h LEU 29 N 0.44 1.12 -0.81 2.25 3.38 -0.90 0.11 115.31 120.89 3hrx h LEU 29 Ca 0.12 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3hrx h LEU 29 Cb 0.21 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hrx h LEU 29 CO -0.01 0.95 0.18 0.44 0.09 0.00 0.00 178.44 180.10 3hrx h ASP 30 N 1.21 1.01 -0.23 -0.43 3.32 -0.86 0.15 116.42 120.59 3hrx h ASP 30 Ca 0.29 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 3hrx h ASP 30 Cb 0.15 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3hrx h ASP 30 CO -0.03 0.96 -0.41 0.00 -1.72 0.00 0.00 179.24 178.03 3hrx h ALA 31 N 1.17 0.68 -0.44 3.45 0.00 -0.82 -1.42 119.26 121.87 3hrx h ALA 31 Ca 0.22 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3hrx h ALA 31 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hrx h ALA 31 CO -0.00 0.67 -0.06 1.25 0.00 0.00 0.00 179.25 181.11 3hrx h LEU 32 N 0.63 0.81 -0.44 0.00 5.85 -0.44 -1.62 115.31 120.11 3hrx h LEU 32 Ca 0.05 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3hrx h LEU 32 Cb 0.97 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3hrx h LEU 32 CO 0.09 0.96 0.25 0.22 -0.34 0.00 0.00 178.44 179.63 3hrx h TYR 33 N 0.65 0.59 -0.91 1.25 5.03 -0.60 -0.74 116.97 122.24 3hrx h TYR 33 Ca 0.12 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 3hrx h TYR 33 Cb 0.58 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.62 3hrx h TYR 33 CO 0.04 0.43 0.54 0.00 -1.32 0.00 0.00 178.16 177.86 3hrx h ALA 34 N 1.11 1.17 -0.64 1.82 0.00 -1.12 -0.95 119.26 120.64 3hrx h ALA 34 Ca 0.16 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3hrx h ALA 34 Cb 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3hrx h ALA 34 CO -0.03 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.89 3hrx h ALA 35 N 1.30 0.85 -0.53 0.00 0.00 -0.90 -1.41 119.26 118.57 3hrx h ALA 35 Ca 0.33 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3hrx h ALA 35 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3hrx h ALA 35 CO -0.06 0.68 -0.08 -0.07 0.00 0.00 0.00 179.25 179.71 3hrx h LEU 36 N 1.01 0.99 -0.55 0.00 3.38 -0.72 -0.62 115.31 118.80 3hrx h LEU 36 Ca 0.18 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3hrx h LEU 36 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3hrx h LEU 36 CO 0.03 1.10 0.19 0.50 0.09 0.00 0.00 178.44 180.34 3hrx h LYS 37 N 0.86 0.84 -0.40 1.13 3.64 -1.03 0.18 116.57 121.78 3hrx h LYS 37 Ca 0.14 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3hrx h LYS 37 Cb 0.64 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3hrx h LYS 37 CO 0.04 0.75 0.17 1.49 -2.27 0.00 0.00 179.45 179.63 3hrx h GLU 38 N 0.75 0.60 -0.76 1.90 4.81 -1.11 -1.66 114.58 119.11 3hrx h GLU 38 Ca 0.18 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3hrx h GLU 38 Cb 0.25 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3hrx h GLU 38 CO -0.01 0.56 0.33 0.78 -0.73 0.00 0.00 179.01 179.94 3hrx h GLY 39 N 0.50 1.19 1.49 1.92 0.00 -0.76 -0.55 103.07 106.86 3hrx h GLY 39 Ca 0.13 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 3hrx h GLY 39 CO -0.01 0.59 0.01 -2.09 0.00 0.00 0.00 176.54 175.04 3hrx h GLU 40 N 1.08 0.64 0.00 4.80 4.57 -0.43 -3.12 114.58 122.12 3hrx h GLU 40 Ca 0.26 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3hrx h GLU 40 Cb 0.17 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3hrx h GLU 40 CO -0.03 0.65 -0.75 0.39 -1.18 0.00 0.00 179.01 178.09 3hrx n GLU 41 N -4.26 0.28 -2.76 1.92 1.02 -0.65 -4.82 120.64 111.38 3hrx n GLU 41 Ca 0.02 0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 3hrx n GLU 41 Cb 0.26 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 3hrx n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hrx s ASP 42 N -4.10 6.66 0.63 1.62 -1.08 -0.25 -4.90 116.67 115.25 3hrx s ASP 42 Ca 0.05 0.53 0.37 0.00 -0.52 0.00 0.00 52.55 52.98 3hrx s ASP 42 Cb 0.14 -2.48 2.11 0.00 -1.46 0.00 0.00 42.92 41.22 3hrx s ASP 42 CO 0.75 -0.96 2.30 0.03 0.52 0.00 0.00 175.17 177.81 3hrx h ARG 43 N 8.67 0.00 0.00 4.34 3.08 -1.87 -1.07 114.38 127.53 3hrx h ARG 43 Ca -0.23 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.74 3hrx h ARG 43 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3hrx h ARG 43 CO 1.02 0.01 -0.39 1.49 -1.07 0.00 0.00 179.97 181.02 3hrx h GLU 44 N 0.00 0.00 -6.00 0.04 4.81 -1.94 -3.42 114.58 108.07 3hrx h GLU 44 Ca -0.00 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.64 3hrx h GLU 44 Cb 0.03 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.33 3hrx h GLU 44 CO 0.00 0.39 0.63 0.08 -0.73 0.00 0.00 179.01 179.39 3hrx s VAL 45 N -3.76 4.69 -0.56 0.32 1.01 -0.41 -4.30 120.40 117.38 3hrx s VAL 45 Ca -0.01 1.59 0.10 0.00 0.00 0.00 0.00 61.98 63.66 3hrx s VAL 45 Cb 0.12 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 3hrx s VAL 45 CO 0.70 -0.28 0.46 0.54 0.00 0.00 0.00 175.10 176.52 3hrx n ARG 46 N 6.40 3.43 -3.49 2.72 5.12 0.72 -4.91 116.66 126.66 3hrx n ARG 46 Ca 0.08 -0.14 -0.13 0.00 -1.93 0.00 0.00 57.85 55.73 3hrx n ARG 46 Cb 0.47 -0.98 -0.04 0.00 -1.16 0.00 0.00 32.46 30.75 3hrx n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hrx s ALA 47 N -1.77 -1.74 0.14 7.54 0.00 -0.98 -4.14 121.76 120.80 3hrx s ALA 47 Ca 0.05 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.10 3hrx s ALA 47 Cb 0.07 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3hrx s ALA 47 CO 0.36 -0.57 -0.20 -0.51 0.00 0.00 0.00 175.76 174.84 3hrx s LEU 48 N -1.99 2.37 -0.08 0.00 1.02 -0.35 -1.02 118.68 118.63 3hrx s LEU 48 Ca -0.02 -0.78 -0.01 0.00 0.02 0.00 0.00 54.13 53.34 3hrx s LEU 48 Cb -0.01 -0.88 0.03 0.00 0.02 0.00 0.00 46.19 45.35 3hrx s LEU 48 CO -0.03 0.02 -0.04 -0.22 0.02 0.00 0.00 176.35 176.10 3hrx s LEU 49 N -2.32 0.91 -0.12 1.79 2.96 -0.32 -0.64 118.68 120.94 3hrx s LEU 49 Ca 0.12 -0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3hrx s LEU 49 Cb -0.08 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 3hrx s LEU 49 CO 0.06 -0.15 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.61 3hrx s LEU 50 N 1.74 2.82 0.37 -0.68 2.96 0.04 0.09 118.68 126.02 3hrx s LEU 50 Ca 0.03 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 3hrx s LEU 50 Cb -0.13 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 44.96 3hrx s LEU 50 CO -0.06 0.20 0.61 0.28 -1.32 0.00 0.00 176.35 176.06 3hrx s THR 51 N 0.15 0.00 0.12 3.68 -1.32 -0.44 -1.16 115.64 116.68 3hrx s THR 51 Ca -0.06 -1.37 0.10 0.00 -1.21 0.00 0.00 61.69 59.16 3hrx s THR 51 Cb -0.15 -2.78 -0.04 0.00 -1.51 0.00 0.00 72.50 68.02 3hrx s THR 51 CO 0.04 0.00 -0.23 -0.83 -2.21 0.00 0.00 174.62 171.39 3hrx s GLY 52 N -3.19 1.62 0.36 6.08 0.00 -1.26 -0.97 107.32 109.96 3hrx s GLY 52 Ca 0.25 -1.42 -0.15 0.00 0.00 0.00 0.00 44.72 43.40 3hrx s GLY 52 CO 0.18 -1.40 0.78 0.00 0.00 0.00 0.00 173.10 172.66 3hrx s ALA 53 N -1.09 3.28 0.00 3.20 0.00 -0.17 -4.81 121.76 122.18 3hrx s ALA 53 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3hrx s ALA 53 Cb -0.10 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.20 3hrx s ALA 53 CO 0.08 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.46 3hrx n GLY 54 N -0.64 -0.47 0.22 0.00 0.00 -1.26 -4.12 105.19 98.92 3hrx n GLY 54 Ca 0.04 -1.10 0.14 0.00 0.00 0.00 0.00 46.02 45.10 3hrx n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hrx h ARG 55 N 0.00 0.00 -5.30 1.61 1.12 -1.91 -3.47 114.38 106.44 3hrx h ARG 55 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 59.98 58.46 3hrx h ARG 55 Cb 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 29.97 29.82 3hrx h ARG 55 CO 0.00 0.00 -0.69 0.00 -3.11 0.00 0.00 179.97 176.17 3hrx s ALA 56 N -3.39 1.89 -0.08 2.80 0.00 -1.26 -4.02 121.76 117.71 3hrx s ALA 56 Ca 0.05 -1.70 -0.00 0.00 0.00 0.00 0.00 51.96 50.31 3hrx s ALA 56 Cb 0.08 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 3hrx s ALA 56 CO 0.58 -0.09 0.00 0.35 0.00 0.00 0.00 175.76 176.60 3hrx h PHE 57 N 2.53 -0.00 -1.31 0.00 3.57 -1.28 -3.36 116.94 117.09 3hrx h PHE 57 Ca -0.38 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.27 3hrx h PHE 57 Cb 1.22 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 39.67 3hrx h PHE 57 CO 0.65 -0.00 0.47 0.45 -2.23 0.00 0.00 178.31 177.66 3hrx s SER 58 N -5.04 -0.38 0.00 0.41 0.15 -0.20 -4.41 113.70 104.23 3hrx s SER 58 Ca -0.00 0.59 0.23 0.00 0.70 0.00 0.00 55.95 57.47 3hrx s SER 58 Cb 0.00 1.20 1.21 0.00 -1.71 0.00 0.00 66.02 66.72 3hrx s SER 58 CO 0.00 -0.09 1.80 0.00 1.20 0.00 0.00 173.24 176.15 3hrx n ALA 59 N 3.69 2.61 0.00 5.45 0.00 -0.87 -1.27 120.51 130.11 3hrx n ALA 59 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3hrx n ALA 59 Cb 0.57 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.94 -1.73 3.60 0.00 0.00 -1.06 -4.52 105.19 102.43 3hrx n GLY 60 Ca 0.17 -1.64 -0.53 0.00 0.00 0.00 0.00 46.02 44.02 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 1.10 -2.60 1.61 -0.06 -1.26 0.43 117.38 116.60 3hrx n GLN 61 Ca 0.00 0.40 -0.43 0.00 -2.00 0.00 0.00 57.00 54.97 3hrx n GLN 61 Cb 0.00 -2.04 -0.02 0.00 -4.06 0.00 0.00 30.24 24.12 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 0.87 6.68 0.57 1.69 3.68 -0.25 -4.64 116.67 125.28 3hrx s ASP 62 Ca 0.87 0.60 0.38 0.00 2.13 0.00 0.00 52.55 56.52 3hrx s ASP 62 Cb -0.98 -2.55 1.88 0.00 -1.45 0.00 0.00 42.92 39.82 3hrx s ASP 62 CO 0.50 -1.19 2.14 -0.07 0.13 0.00 0.00 175.17 176.68 3hrx h LEU 63 N 11.03 0.00 -0.57 -1.34 3.38 -1.90 -2.14 115.31 123.77 3hrx h LEU 63 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hrx h LEU 63 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hrx h LEU 63 CO 1.11 0.00 0.00 0.71 0.09 0.00 0.00 178.44 180.35 3hrx h THR 64 N 0.00 0.00 0.00 0.22 1.35 -1.95 -2.97 112.91 109.56 3hrx h THR 64 Ca 0.00 -0.46 -0.05 0.00 -0.55 0.00 0.00 66.41 65.35 3hrx h THR 64 Cb 0.19 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3hrx h THR 64 CO 0.00 0.00 -0.24 -0.08 -0.25 0.00 0.00 175.52 174.95 3hrx h GLU 65 N 0.00 0.00 0.14 4.72 4.81 -1.76 -2.87 114.58 119.61 3hrx h GLU 65 Ca 0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 3hrx h GLU 65 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3hrx h GLU 65 CO 0.00 0.24 -1.44 0.74 -0.73 0.00 0.00 179.01 177.82 3hrx h PHE 66 N 0.00 0.52 0.00 0.92 0.04 -1.71 -3.49 116.94 113.22 3hrx h PHE 66 Ca -0.00 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.39 3hrx h PHE 66 Cb 0.53 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.65 3hrx h PHE 66 CO 0.00 1.37 0.00 0.41 -0.60 0.00 0.00 178.31 179.49 3hrx n GLY 67 N 1.63 3.99 0.58 -1.45 0.00 -1.09 -1.77 105.19 107.09 3hrx n GLY 67 Ca -0.14 0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.98 3hrx n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hrx n ASP 68 N 7.92 2.46 -4.77 1.61 9.92 -1.26 -5.02 116.55 127.41 3hrx n ASP 68 Ca 0.00 -1.73 -0.33 0.00 -0.53 0.00 0.00 54.79 52.20 3hrx n ASP 68 Cb 0.00 -0.11 0.05 0.00 -0.64 0.00 0.00 41.12 40.41 3hrx n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hrx s ARG 69 N -1.00 2.79 0.25 -1.24 1.04 -0.73 -5.00 118.95 115.06 3hrx s ARG 69 Ca 0.19 1.35 -0.30 0.00 -1.04 0.00 0.00 55.73 55.94 3hrx s ARG 69 Cb 0.11 -1.95 -0.09 0.00 -2.04 0.00 0.00 34.95 30.98 3hrx s ARG 69 CO 0.16 -1.25 1.04 -1.59 -0.04 0.00 0.00 175.30 173.62 3hrx s LYS 70 N -4.17 4.72 0.27 3.89 -2.85 -1.26 -4.99 119.74 115.35 3hrx s LYS 70 Ca 0.66 1.67 -0.30 0.00 -1.00 0.00 0.00 55.97 57.00 3hrx s LYS 70 Cb -0.20 -3.24 -0.13 0.00 -2.06 0.00 0.00 37.83 32.20 3hrx s LYS 70 CO 0.42 0.31 1.33 -2.30 0.10 0.00 0.00 175.35 175.21 3hrx n PRO 71 N 1.49 1.97 -2.69 1.78 -0.02 -1.26 -4.91 135.00 131.36 3hrx n PRO 71 Ca -0.01 0.70 -0.08 0.00 -2.02 0.00 0.00 63.50 62.09 3hrx n PRO 71 Cb 0.46 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.69 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 1.63 1.02 -0.35 2.55 2.03 -1.26 -4.99 116.55 117.18 3hrx n ASP 72 Ca 0.09 -2.59 0.08 0.00 0.52 0.00 0.00 54.79 52.89 3hrx n ASP 72 Cb 0.33 -0.33 0.26 0.00 -0.72 0.00 0.00 41.12 40.66 3hrx n ASP 72 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3hrx h TYR 73 N 2.80 1.10 -0.33 -0.67 0.05 -1.97 0.15 116.97 118.11 3hrx h TYR 73 Ca -0.13 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3hrx h TYR 73 Cb 1.21 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 3hrx h TYR 73 CO 0.45 0.43 0.22 1.49 -1.05 0.00 0.00 178.16 179.69 3hrx h GLU 74 N 0.95 0.44 -0.19 4.88 4.81 -2.00 -1.31 114.58 122.16 3hrx h GLU 74 Ca 0.49 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.49 3hrx h GLU 74 Cb 0.53 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3hrx h GLU 74 CO -0.26 0.30 -0.68 0.00 -0.73 0.00 0.00 179.01 177.64 3hrx h ALA 75 N 1.11 0.42 -0.38 2.92 0.00 -1.90 -3.17 119.26 118.26 3hrx h ALA 75 Ca 0.12 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.53 3hrx h ALA 75 Cb -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hrx h ALA 75 CO -0.03 0.69 0.26 1.25 0.00 0.00 0.00 179.25 181.43 3hrx h HIS 76 N 0.55 0.24 0.00 0.00 -0.00 -0.44 -0.92 115.15 114.59 3hrx h HIS 76 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 3hrx h HIS 76 Cb 1.29 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 3hrx h HIS 76 CO 0.07 0.13 0.00 1.28 -0.00 0.00 0.00 177.93 179.41 3hrx n LEU 77 N -4.47 0.00 -0.07 0.26 4.77 -0.52 -3.67 117.00 113.31 3hrx n LEU 77 Ca 0.05 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.14 3hrx n LEU 77 Cb 0.28 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3hrx n LEU 77 CO 0.35 -0.06 0.85 -0.09 -1.33 0.00 0.00 177.39 177.11 3hrx h ARG 78 N 0.00 0.06 -0.14 3.23 2.43 -1.30 0.98 114.38 119.64 3hrx h ARG 78 Ca 0.00 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3hrx h ARG 78 Cb 0.13 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3hrx h ARG 78 CO 0.00 0.04 -0.19 0.00 -1.51 0.00 0.00 179.97 178.30 3hrx h ARG 79 N 0.06 0.23 -0.08 0.20 3.08 -1.80 -1.94 114.38 114.14 3hrx h ARG 79 Ca 0.13 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 3hrx h ARG 79 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3hrx h ARG 79 CO -0.23 0.43 -0.17 1.88 -1.07 0.00 0.00 179.97 180.82 3hrx h TYR 80 N 0.22 0.33 -0.28 3.04 -1.99 -1.59 -3.09 116.97 113.60 3hrx h TYR 80 Ca 0.04 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.60 3hrx h TYR 80 Cb 0.48 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 3hrx h TYR 80 CO 0.01 0.77 -0.02 -0.91 -0.00 0.00 0.00 178.16 178.00 3hrx h ASN 81 N -0.20 0.41 0.74 3.88 2.35 -0.64 -0.72 115.58 121.40 3hrx h ASN 81 Ca 0.00 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 3hrx h ASN 81 Cb 0.75 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 3hrx h ASN 81 CO 0.04 0.49 -0.51 0.08 -1.65 0.00 0.00 177.43 175.88 3hrx h ARG 82 N 0.42 0.00 -0.21 0.81 0.11 -1.41 0.74 114.38 114.83 3hrx h ARG 82 Ca 0.09 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.01 3hrx h ARG 82 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 3hrx h ARG 82 CO 0.01 0.51 -0.49 0.28 0.10 0.00 0.00 179.97 180.38 3hrx h VAL 83 N 0.00 1.31 -0.61 0.08 2.07 -1.31 -1.99 116.25 115.80 3hrx h VAL 83 Ca -0.01 -1.71 -0.08 0.00 0.82 0.00 0.00 66.70 65.73 3hrx h VAL 83 Cb 1.02 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3hrx h VAL 83 CO 0.07 0.54 0.07 0.58 0.02 0.00 0.00 177.57 178.84 3hrx h VAL 84 N 0.42 1.26 -0.73 2.57 2.07 -0.86 0.20 116.25 121.18 3hrx h VAL 84 Ca -0.00 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 3hrx h VAL 84 Cb 1.10 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3hrx h VAL 84 CO 0.11 0.39 0.39 -0.33 0.02 0.00 0.00 177.57 178.14 3hrx h GLU 85 N 0.95 1.03 -0.37 1.57 4.39 -0.81 -0.34 114.58 120.99 3hrx h GLU 85 Ca 0.18 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 3hrx h GLU 85 Cb 0.46 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3hrx h GLU 85 CO 0.02 0.77 0.08 0.00 -1.16 0.00 0.00 179.01 178.72 3hrx h ALA 86 N 1.20 0.49 -0.08 3.43 0.00 -0.87 -1.75 119.26 121.68 3hrx h ALA 86 Ca 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hrx h ALA 86 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hrx h ALA 86 CO -0.04 0.18 0.04 -0.07 0.00 0.00 0.00 179.25 179.36 3hrx h LEU 87 N 0.46 0.10 -1.73 0.00 3.38 -0.73 -2.35 115.31 114.43 3hrx h LEU 87 Ca 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hrx h LEU 87 Cb 0.33 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hrx h LEU 87 CO 0.00 0.15 -0.07 0.77 0.09 0.00 0.00 178.44 179.38 3hrx h SER 88 N 0.04 0.07 -0.25 -0.43 4.64 -0.98 -2.78 113.55 113.86 3hrx h SER 88 Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3hrx h SER 88 Cb 0.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3hrx h SER 88 CO -0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 3hrx n GLY 89 N -1.22 1.06 3.64 -0.77 0.00 -0.67 -4.89 105.19 102.35 3hrx n GLY 89 Ca -0.02 -0.61 -0.46 0.00 0.00 0.00 0.00 46.02 44.93 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 1.02 2.55 -2.28 0.99 4.77 -0.90 -4.84 117.00 118.30 3hrx n LEU 90 Ca 0.18 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.99 3hrx n LEU 90 Cb 0.50 -1.35 0.12 0.00 -2.33 0.00 0.00 43.42 40.36 3hrx n LEU 90 CO 0.15 -0.75 1.38 -0.62 -1.33 0.00 0.00 177.39 176.22 3hrx n GLU 91 N 2.08 2.49 -3.67 3.23 1.02 -1.26 -4.83 120.64 119.70 3hrx n GLU 91 Ca 0.13 -3.15 -0.15 0.00 -0.02 0.00 0.00 57.16 53.98 3hrx n GLU 91 Cb 0.29 -2.23 -0.08 0.00 -0.02 0.00 0.00 31.44 29.40 3hrx n GLU 91 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3hrx s LYS 92 N -3.57 0.80 0.43 3.49 1.02 -1.26 -4.48 119.74 116.17 3hrx s LYS 92 Ca 0.61 0.07 -0.25 0.00 0.02 0.00 0.00 55.97 56.43 3hrx s LYS 92 Cb 0.49 0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 38.10 3hrx s LYS 92 CO 0.04 -0.23 1.25 -1.25 -0.92 0.00 0.00 175.35 174.25 3hrx s PRO 93 N -1.11 3.83 -0.12 -1.68 0.04 -1.26 -4.85 135.00 129.86 3hrx s PRO 93 Ca -0.11 2.01 0.03 0.00 0.04 0.00 0.00 61.00 62.97 3hrx s PRO 93 Cb -0.03 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 31.92 3hrx s PRO 93 CO 0.06 -0.56 -0.21 -1.17 0.04 0.00 0.00 177.00 175.16 3hrx s LEU 94 N -2.72 2.04 -0.10 -3.56 2.96 -1.26 -1.21 118.68 114.84 3hrx s LEU 94 Ca 0.60 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 3hrx s LEU 94 Cb -0.35 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3hrx s LEU 94 CO 0.43 0.09 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.83 3hrx s VAL 95 N 0.70 3.99 -0.09 1.68 1.01 0.19 -0.26 120.40 127.62 3hrx s VAL 95 Ca -0.10 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3hrx s VAL 95 Cb -0.16 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3hrx s VAL 95 CO 0.01 0.57 -0.23 -0.69 0.00 0.00 0.00 175.10 174.77 3hrx s VAL 96 N -0.54 2.23 -0.33 2.92 1.01 -0.65 -0.78 120.40 124.26 3hrx s VAL 96 Ca 0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 3hrx s VAL 96 Cb -0.12 -1.85 0.08 0.00 0.00 0.00 0.00 36.38 34.49 3hrx s VAL 96 CO 0.02 0.56 0.05 0.00 0.00 0.00 0.00 175.10 175.73 3hrx s ALA 97 N 0.11 2.89 -0.58 5.51 0.00 -0.31 -0.98 121.76 128.41 3hrx s ALA 97 Ca -0.11 -2.12 -0.24 0.00 0.00 0.00 0.00 51.96 49.49 3hrx s ALA 97 Cb -0.16 -2.03 0.05 0.00 0.00 0.00 0.00 23.12 20.98 3hrx s ALA 97 CO 0.06 -1.49 0.95 0.08 0.00 0.00 0.00 175.76 175.37 3hrx s VAL 98 N 1.14 4.35 -0.86 0.00 1.01 0.85 -4.32 120.40 122.58 3hrx s VAL 98 Ca 0.01 0.11 0.26 0.00 0.00 0.00 0.00 61.98 62.36 3hrx s VAL 98 Cb -0.20 -4.59 0.09 0.00 0.00 0.00 0.00 36.38 31.68 3hrx s VAL 98 CO -0.04 -1.22 1.51 -0.46 0.00 0.00 0.00 175.10 174.89 3hrx n ASN 99 N 7.58 0.50 0.00 3.32 6.94 -1.26 -1.09 115.26 131.24 3hrx n ASN 99 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 3hrx n ASN 99 Cb 0.47 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 3hrx n ASN 99 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hrx n GLY 100 N 1.43 2.57 3.74 4.83 0.00 -1.26 -4.62 105.19 111.88 3hrx n GLY 100 Ca 0.05 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 0.71 2.65 -0.23 1.61 1.01 -1.26 -2.33 120.40 122.57 3hrx s VAL 101 Ca 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 3hrx s VAL 101 Cb 0.00 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 33.11 3hrx s VAL 101 CO 0.00 0.08 0.04 0.00 0.00 0.00 0.00 175.10 175.22 3hrx s ALA 102 N 0.11 1.30 0.05 5.51 0.00 -0.55 -1.02 121.76 127.15 3hrx s ALA 102 Ca 0.60 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.53 3hrx s ALA 102 Cb -0.42 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 3hrx s ALA 102 CO 0.42 -1.31 -0.07 0.00 0.00 0.00 0.00 175.76 174.80 3hrx s ALA 103 N 1.72 0.62 0.00 0.00 0.00 -0.40 -1.81 121.76 121.88 3hrx s ALA 103 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3hrx s ALA 103 Cb -0.17 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3hrx s ALA 103 CO -0.12 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3hrx n GLY 104 N 1.24 3.09 0.32 0.00 0.00 -0.73 -0.41 105.19 108.70 3hrx n GLY 104 Ca -0.21 -0.20 0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.82 1.20 -0.68 4.61 0.00 -1.87 0.11 119.26 121.82 3hrx h ALA 105 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3hrx h ALA 105 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hrx h ALA 105 CO 0.00 0.01 0.18 0.78 0.00 0.00 0.00 179.25 180.21 3hrx h GLY 106 N 0.09 1.16 1.11 0.00 0.00 -0.93 -0.37 103.07 104.13 3hrx h GLY 106 Ca -0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 47.33 46.45 3hrx h GLY 106 CO 0.00 0.67 -0.41 1.98 0.00 0.00 0.00 176.54 178.78 3hrx h MET 107 N 1.01 0.90 -0.22 4.80 4.05 -0.71 -2.32 114.93 122.44 3hrx h MET 107 Ca 0.21 -0.50 0.04 0.00 -0.28 0.00 0.00 59.70 59.18 3hrx h MET 107 Cb 0.35 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 3hrx h MET 107 CO -0.00 1.14 -0.04 0.77 0.23 0.00 0.00 176.91 179.01 3hrx h SER 108 N 0.70 -0.18 -0.65 1.39 0.02 -0.95 -1.89 113.55 111.99 3hrx h SER 108 Ca 0.05 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3hrx h SER 108 Cb 1.01 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 3hrx h SER 108 CO 0.10 -0.06 0.17 -0.07 -1.14 0.00 0.00 176.83 175.83 3hrx h LEU 109 N 0.01 0.97 -1.10 5.07 3.38 -1.05 -2.93 115.31 119.67 3hrx h LEU 109 Ca 0.10 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3hrx h LEU 109 Cb 0.15 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3hrx h LEU 109 CO -0.21 0.95 0.61 0.00 0.09 0.00 0.00 178.44 179.87 3hrx h ALA 110 N 1.06 1.38 0.00 1.53 0.00 -1.05 -2.24 119.26 119.94 3hrx h ALA 110 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hrx h ALA 110 Cb 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hrx h ALA 110 CO -0.00 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.09 3hrx n LEU 111 N -4.42 0.00 0.00 0.00 4.77 -0.74 -2.51 117.00 114.10 3hrx n LEU 111 Ca 0.11 0.49 0.14 0.00 -0.03 0.00 0.00 56.01 56.73 3hrx n LEU 111 Cb 0.06 -0.49 0.69 0.00 -2.33 0.00 0.00 43.42 41.34 3hrx n LEU 111 CO 0.36 -0.29 0.98 0.79 -1.33 0.00 0.00 177.39 177.90 3hrx n TRP 112 N -1.49 0.00 -2.07 -1.77 7.02 -0.84 -4.83 117.44 113.46 3hrx n TRP 112 Ca 0.03 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.14 3hrx n TRP 112 Cb 0.14 -0.35 0.01 0.00 -2.42 0.00 0.00 31.31 28.69 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 -2.70 2.81 0.09 6.99 0.00 -1.05 -4.91 107.32 108.55 3hrx s GLY 113 Ca 0.23 1.08 -0.12 0.00 0.00 0.00 0.00 44.72 45.91 3hrx s GLY 113 CO 0.46 1.55 1.22 -0.55 0.00 0.00 0.00 173.10 175.78 3hrx h ASP 114 N 1.70 0.84 -3.39 1.64 3.32 -0.95 -3.43 116.42 116.15 3hrx h ASP 114 Ca -0.50 -0.66 -0.56 0.00 0.02 0.00 0.00 57.03 55.33 3hrx h ASP 114 Cb 1.27 -0.26 -0.33 0.00 0.22 0.00 0.00 39.33 40.23 3hrx h ASP 114 CO 0.59 1.46 -0.83 -0.76 -1.72 0.00 0.00 179.24 177.98 3hrx s LEU 115 N -8.04 1.75 -0.03 1.55 1.43 -1.11 -5.05 118.68 109.17 3hrx s LEU 115 Ca -0.09 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3hrx s LEU 115 Cb 0.07 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 3hrx s LEU 115 CO 0.91 0.06 -0.18 -0.13 0.23 0.00 0.00 176.35 177.24 3hrx s ARG 116 N 0.62 1.71 0.07 1.70 0.52 -1.26 -1.64 118.95 120.66 3hrx s ARG 116 Ca -0.15 -0.63 0.07 0.00 -0.52 0.00 0.00 55.73 54.51 3hrx s ARG 116 Cb -0.16 -1.53 -0.03 0.00 0.52 0.00 0.00 34.95 33.75 3hrx s ARG 116 CO 0.04 0.29 -0.20 -0.51 0.02 0.00 0.00 175.30 174.95 3hrx s LEU 117 N -0.11 2.22 0.04 2.53 1.02 -0.15 0.29 118.68 124.52 3hrx s LEU 117 Ca -0.01 -0.58 0.06 0.00 0.02 0.00 0.00 54.13 53.62 3hrx s LEU 117 Cb -0.10 -0.87 -0.02 0.00 0.02 0.00 0.00 46.19 45.21 3hrx s LEU 117 CO 0.01 0.09 -0.17 0.00 0.02 0.00 0.00 176.35 176.31 3hrx s ALA 118 N -0.97 1.39 0.32 4.21 0.00 -0.35 -0.10 121.76 126.27 3hrx s ALA 118 Ca 0.06 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 3hrx s ALA 118 Cb -0.09 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.71 3hrx s ALA 118 CO 0.03 0.29 0.67 0.00 0.00 0.00 0.00 175.76 176.75 3hrx s ALA 119 N -0.80 3.44 0.31 0.00 0.00 -0.25 -1.78 121.76 122.69 3hrx s ALA 119 Ca 0.04 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 3hrx s ALA 119 Cb -0.08 -2.59 -0.13 0.00 0.00 0.00 0.00 23.12 20.32 3hrx s ALA 119 CO 0.01 0.24 1.26 0.28 0.00 0.00 0.00 175.76 177.55 3hrx n VAL 120 N -0.73 1.81 0.00 0.00 0.31 -0.27 -0.98 118.33 118.46 3hrx n VAL 120 Ca 0.02 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 3hrx n VAL 120 Cb 0.53 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 1.09 2.91 3.78 2.92 0.00 -1.26 -4.46 105.19 110.17 3hrx n GLY 121 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.36 2.43 0.07 4.61 0.00 -0.15 -4.78 121.76 121.58 3hrx s ALA 122 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 3hrx s ALA 122 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3hrx s ALA 122 CO 0.00 -1.47 0.15 -1.54 0.00 0.00 0.00 175.76 172.90 3hrx s SER 123 N -3.22 0.17 -0.16 0.00 1.04 -0.98 -2.32 113.70 108.23 3hrx s SER 123 Ca 0.62 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 3hrx s SER 123 Cb -0.17 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.29 3hrx s SER 123 CO 0.51 -0.66 -0.05 -0.36 0.98 0.00 0.00 173.24 173.66 3hrx s PHE 124 N -3.55 1.59 -0.15 5.02 0.08 -0.23 -1.48 117.98 119.26 3hrx s PHE 124 Ca 0.03 -0.98 -0.00 0.00 0.12 0.00 0.00 56.93 56.09 3hrx s PHE 124 Cb 0.04 -1.27 0.03 0.00 -0.57 0.00 0.00 43.02 41.26 3hrx s PHE 124 CO -0.09 -0.59 -0.08 0.99 -0.10 0.00 0.00 175.22 175.35 3hrx s THR 125 N 1.67 1.23 0.25 0.64 2.01 -0.75 -1.13 115.64 119.56 3hrx s THR 125 Ca 0.01 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 3hrx s THR 125 Cb -0.15 -1.31 0.23 0.00 0.01 0.00 0.00 72.50 71.29 3hrx s THR 125 CO -0.08 0.25 1.82 0.71 -0.69 0.00 0.00 174.62 176.63 3hrx h THR 126 N 6.28 0.92 0.00 -0.82 1.35 -1.80 -1.94 112.91 116.90 3hrx h THR 126 Ca -0.28 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3hrx h THR 126 Cb 1.12 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 3hrx h THR 126 CO 0.43 0.16 0.00 0.00 -0.25 0.00 0.00 175.52 175.86 3hrx n ALA 127 N -2.37 0.00 -0.22 6.62 0.00 -1.26 -2.26 120.51 121.02 3hrx n ALA 127 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.60 3hrx n ALA 127 Cb 0.29 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.24 0.00 0.00 -1.00 -1.87 -0.60 116.94 113.23 3hrx h PHE 128 Ca 0.00 0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 3hrx h PHE 128 Cb 0.00 0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.77 3hrx h PHE 128 CO 0.00 -0.25 -0.01 -0.24 -1.61 0.00 0.00 178.31 176.19 3hrx h VAL 129 N 0.03 0.51 0.00 -0.55 3.04 -1.78 -1.23 116.25 116.27 3hrx h VAL 129 Ca 0.33 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.95 3hrx h VAL 129 Cb 0.52 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3hrx h VAL 129 CO -0.64 0.01 -0.06 0.03 -1.01 0.00 0.00 177.57 175.90 3hrx h ARG 130 N 0.00 0.00 -0.08 4.17 3.08 -1.41 -1.83 114.38 118.30 3hrx h ARG 130 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3hrx h ARG 130 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3hrx h ARG 130 CO 0.00 0.06 -0.17 0.44 -1.07 0.00 0.00 179.97 179.23 3hrx n ILE 131 N -3.41 2.13 -2.04 2.04 -5.35 -0.81 -4.97 119.36 106.95 3hrx n ILE 131 Ca -0.02 -2.59 -0.10 0.00 -0.27 0.00 0.00 62.75 59.78 3hrx n ILE 131 Cb 0.20 -0.25 -0.01 0.00 -1.74 0.00 0.00 39.64 37.83 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 -1.18 0.16 3.75 3.28 0.00 -0.69 -5.04 105.19 105.46 3hrx n GLY 132 Ca 0.20 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.69 3.16 0.34 0.99 1.43 -0.53 -4.97 118.68 116.41 3hrx s LEU 133 Ca 0.00 -0.99 0.07 0.00 -1.03 0.00 0.00 54.13 52.17 3hrx s LEU 133 Cb 0.00 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3hrx s LEU 133 CO 0.00 -0.50 0.43 0.68 0.23 0.00 0.00 176.35 177.19 3hrx s VAL 134 N -2.56 3.85 0.29 -1.59 -7.23 -1.26 -3.05 120.40 108.85 3hrx s VAL 134 Ca 0.41 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.20 3hrx s VAL 134 Cb 0.02 -3.32 -0.10 0.00 0.56 0.00 0.00 36.38 33.54 3hrx s VAL 134 CO 0.23 -0.15 1.32 -2.16 -0.31 0.00 0.00 175.10 174.04 3hrx s PRO 135 N -4.14 4.36 0.17 4.82 0.04 -1.26 -4.87 135.00 134.12 3hrx s PRO 135 Ca 0.45 2.18 0.03 0.00 0.04 0.00 0.00 61.00 63.70 3hrx s PRO 135 Cb -0.09 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 3hrx s PRO 135 CO 0.30 -0.23 0.10 -0.40 0.04 0.00 0.00 177.00 176.81 3hrx n ASP 136 N 1.46 0.40 -2.92 6.66 5.68 -1.26 -4.55 116.55 122.01 3hrx n ASP 136 Ca 0.02 -2.02 -0.22 0.00 -0.50 0.00 0.00 54.79 52.07 3hrx n ASP 136 Cb 0.42 0.63 0.03 0.00 -1.14 0.00 0.00 41.12 41.05 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 -2.09 -6.04 0.00 -1.12 7.64 -1.26 -2.20 113.62 108.55 3hrx n SER 137 Ca 0.00 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.64 3hrx n SER 137 Cb 0.28 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.58 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 -1.43 0.81 0.27 0.23 0.00 -1.26 -4.66 105.19 99.15 3hrx n GLY 138 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.45 -1.20 0.99 5.85 -1.74 0.44 115.31 120.09 3hrx h LEU 139 Ca 0.00 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3hrx h LEU 139 Cb 0.00 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3hrx h LEU 139 CO 0.00 0.54 -0.01 0.77 -0.34 0.00 0.00 178.44 179.40 3hrx h SER 140 N 0.46 0.00 0.00 1.25 4.64 -1.83 -1.14 113.55 116.93 3hrx h SER 140 Ca 0.10 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.27 3hrx h SER 140 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3hrx h SER 140 CO 0.01 0.01 -0.81 0.15 -0.87 0.00 0.00 176.83 175.32 3hrx h PHE 141 N 0.00 0.00 -0.10 4.77 3.04 -1.76 -3.41 116.94 119.47 3hrx h PHE 141 Ca -0.00 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.80 3hrx h PHE 141 Cb 0.60 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.12 3hrx h PHE 141 CO 0.00 1.23 -0.51 -0.07 -2.02 0.00 0.00 178.31 176.94 3hrx h LEU 142 N -1.00 0.62 -0.18 0.59 3.38 -0.92 -3.35 115.31 114.46 3hrx h LEU 142 Ca -0.22 -0.65 0.04 0.00 0.09 0.00 0.00 57.88 57.15 3hrx h LEU 142 Cb 1.14 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3hrx h LEU 142 CO -0.13 1.17 -0.10 0.25 0.09 0.00 0.00 178.44 179.71 3hrx h LEU 143 N 0.12 -0.34 -1.18 1.67 5.85 -1.44 0.44 115.31 120.44 3hrx h LEU 143 Ca -0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3hrx h LEU 143 Cb 1.16 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 3hrx h LEU 143 CO 0.11 -0.14 0.39 -0.65 -0.34 0.00 0.00 178.44 177.81 3hrx h PRO 144 N -0.10 0.95 -0.47 5.25 0.11 -1.79 -0.03 132.00 135.93 3hrx h PRO 144 Ca 0.10 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3hrx h PRO 144 Cb 0.25 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 3hrx h PRO 144 CO -0.24 0.69 -0.04 0.00 -0.21 0.00 0.00 178.00 178.21 3hrx h ARG 145 N 0.97 0.85 -0.04 1.05 3.08 -1.55 0.74 114.38 119.48 3hrx h ARG 145 Ca 0.25 -0.29 -0.23 0.00 0.07 0.00 0.00 59.98 59.78 3hrx h ARG 145 Cb 0.01 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.00 3hrx h ARG 145 CO -0.04 0.92 -0.86 -0.07 -1.07 0.00 0.00 179.97 178.85 3hrx h LEU 146 N 0.70 0.82 -1.35 3.04 3.38 -0.46 -3.39 115.31 118.05 3hrx h LEU 146 Ca 0.13 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3hrx h LEU 146 Cb 0.56 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hrx h LEU 146 CO 0.03 1.42 0.00 1.33 0.09 0.00 0.00 178.44 181.31 3hrx n VAL 147 N -3.98 0.12 0.00 1.22 0.24 -0.07 -4.74 118.33 111.13 3hrx n VAL 147 Ca -0.10 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 3hrx n VAL 147 Cb 0.79 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 34.15 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 0.12 -0.26 0.31 7.63 0.00 0.25 -4.35 105.19 108.89 3hrx n GLY 148 Ca 0.02 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.10 0.99 5.85 -1.90 -1.87 115.31 119.33 3hrx h LEU 149 Ca 0.00 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.50 3hrx h LEU 149 Cb 0.00 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 3hrx h LEU 149 CO 0.00 1.04 -0.16 0.00 -0.34 0.00 0.00 178.44 178.98 3hrx h ALA 150 N 1.07 -0.11 -0.12 1.25 0.00 -1.95 0.13 119.26 119.54 3hrx h ALA 150 Ca 0.19 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3hrx h ALA 150 Cb 0.46 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3hrx h ALA 150 CO 0.02 -0.62 -0.53 0.87 0.00 0.00 0.00 179.25 178.99 3hrx h LYS 151 N -0.21 0.33 -0.70 0.00 1.79 -1.75 -2.93 116.57 113.10 3hrx h LYS 151 Ca 0.08 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 3hrx h LYS 151 Cb 0.33 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 3hrx h LYS 151 CO -0.22 0.78 0.33 0.00 -1.08 0.00 0.00 179.45 179.26 3hrx h ALA 152 N 1.18 0.90 0.03 3.86 0.00 -0.85 0.17 119.26 124.55 3hrx h ALA 152 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hrx h ALA 152 Cb 1.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hrx h ALA 152 CO 0.09 0.47 -0.07 1.96 0.00 0.00 0.00 179.25 181.69 3hrx h GLN 153 N 0.97 -0.13 0.05 0.00 4.20 -0.89 -0.57 115.11 118.75 3hrx h GLN 153 Ca 0.24 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 3hrx h GLN 153 Cb 0.12 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3hrx h GLN 153 CO -0.03 -0.09 -0.02 1.49 -0.67 0.00 0.00 178.83 179.51 3hrx h GLU 154 N -0.13 -0.07 -0.84 1.46 4.81 -1.33 -0.64 114.58 117.84 3hrx h GLU 154 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3hrx h GLU 154 Cb 0.15 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3hrx h GLU 154 CO -0.05 -0.00 0.53 -0.07 -0.73 0.00 0.00 179.01 178.69 3hrx h LEU 155 N -0.11 0.99 0.06 1.64 4.07 -0.85 -0.87 115.31 120.24 3hrx h LEU 155 Ca -0.01 -0.05 -0.22 0.00 0.08 0.00 0.00 57.88 57.68 3hrx h LEU 155 Cb 0.09 -0.25 0.02 0.00 1.08 0.00 0.00 40.66 41.60 3hrx h LEU 155 CO 0.01 0.75 -0.91 -0.07 -1.08 0.00 0.00 178.44 177.13 3hrx h LEU 156 N 1.15 0.70 -0.01 1.67 3.38 -1.04 -1.76 115.31 119.40 3hrx h LEU 156 Ca 0.30 -0.81 -0.25 0.00 0.09 0.00 0.00 57.88 57.22 3hrx h LEU 156 Cb -0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3hrx h LEU 156 CO -0.06 1.43 -1.11 -0.07 0.09 0.00 0.00 178.44 178.72 3hrx h LEU 157 N 0.05 0.41 0.00 1.67 3.38 -1.10 -3.35 115.31 116.36 3hrx h LEU 157 Ca -0.13 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3hrx h LEU 157 Cb 1.62 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3hrx h LEU 157 CO 0.18 1.26 -1.50 0.18 0.09 0.00 0.00 178.44 178.65 3hrx n LEU 158 N -3.59 0.45 -4.01 1.67 4.77 -0.34 -5.00 117.00 110.95 3hrx n LEU 158 Ca -0.07 -0.23 -0.33 0.00 -0.03 0.00 0.00 56.01 55.35 3hrx n LEU 158 Cb 0.95 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.02 3hrx n LEU 158 CO 0.52 0.11 -0.24 -0.24 -1.33 0.00 0.00 177.39 176.21 3hrx n SER 159 N -1.88 -2.00 -4.81 -1.43 2.88 -0.66 -4.94 113.62 100.78 3hrx n SER 159 Ca -0.00 -1.14 -0.32 0.00 -1.33 0.00 0.00 58.87 56.08 3hrx n SER 159 Cb 0.44 -2.46 0.03 0.00 -0.75 0.00 0.00 64.21 61.48 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 -6.84 3.09 -0.62 -1.46 0.04 -1.26 -4.75 135.00 123.20 3hrx s PRO 160 Ca 0.22 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 3hrx s PRO 160 Cb -0.10 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.50 3hrx s PRO 160 CO 0.93 -0.99 0.92 0.50 0.04 0.00 0.00 177.00 178.40 3hrx s ARG 161 N -4.52 3.16 0.15 4.56 3.52 -1.26 -4.47 118.95 120.09 3hrx s ARG 161 Ca 0.61 -0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 55.19 3hrx s ARG 161 Cb -0.15 -4.18 -0.07 0.00 -1.56 0.00 0.00 34.95 28.99 3hrx s ARG 161 CO 0.46 -1.67 0.98 -0.51 -0.81 0.00 0.00 175.30 173.75 3hrx s LEU 162 N 3.86 4.53 0.86 -0.88 1.43 -0.28 -4.88 118.68 123.32 3hrx s LEU 162 Ca 0.23 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 55.10 3hrx s LEU 162 Cb -0.16 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.57 3hrx s LEU 162 CO 0.12 -0.05 1.15 -0.94 0.23 0.00 0.00 176.35 176.87 3hrx s SER 163 N -0.27 3.97 0.27 2.29 1.04 -1.26 -1.07 113.70 118.67 3hrx s SER 163 Ca 0.46 0.90 -0.02 0.00 0.48 0.00 0.00 55.95 57.77 3hrx s SER 163 Cb -0.25 -1.44 0.36 0.00 0.10 0.00 0.00 66.02 64.79 3hrx s SER 163 CO 0.31 -2.25 1.79 0.00 0.98 0.00 0.00 173.24 174.07 3hrx h ALA 164 N -1.29 1.16 -0.41 5.32 0.00 -1.77 -0.81 119.26 121.45 3hrx h ALA 164 Ca -0.48 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 3hrx h ALA 164 Cb 1.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3hrx h ALA 164 CO 0.64 0.56 0.06 1.49 0.00 0.00 0.00 179.25 181.99 3hrx h GLU 165 N 0.78 0.68 -0.59 0.00 4.81 -1.92 -0.76 114.58 117.57 3hrx h GLU 165 Ca 0.16 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3hrx h GLU 165 Cb 0.37 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3hrx h GLU 165 CO 0.01 0.73 0.22 0.93 -0.73 0.00 0.00 179.01 180.16 3hrx h GLU 166 N 0.53 0.87 -0.66 1.92 5.08 -1.84 0.19 114.58 120.67 3hrx h GLU 166 Ca 0.12 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3hrx h GLU 166 Cb 0.39 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3hrx h GLU 166 CO 0.01 0.73 0.25 0.00 -1.00 0.00 0.00 179.01 179.00 3hrx h ALA 167 N 1.38 0.85 -0.62 3.43 0.00 -0.81 -2.03 119.26 121.47 3hrx h ALA 167 Ca 0.20 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3hrx h ALA 167 Cb 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hrx h ALA 167 CO -0.01 0.49 0.08 1.25 0.00 0.00 0.00 179.25 181.05 3hrx h LEU 168 N 0.93 0.99 -0.99 0.00 5.85 -0.38 0.54 115.31 122.25 3hrx h LEU 168 Ca 0.22 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hrx h LEU 168 Cb 0.23 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3hrx h LEU 168 CO -0.02 1.00 0.61 0.00 -0.34 0.00 0.00 178.44 179.69 3hrx h ALA 169 N 1.11 1.25 0.00 1.25 0.00 -0.58 -3.06 119.26 119.25 3hrx h ALA 169 Ca 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hrx h ALA 169 Cb 0.44 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hrx h ALA 169 CO 0.01 0.66 -0.52 -0.07 0.00 0.00 0.00 179.25 179.34 3hrx h LEU 170 N 1.33 0.00 0.00 0.00 3.38 -1.08 -3.48 115.31 115.46 3hrx h LEU 170 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3hrx h LEU 170 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hrx h LEU 170 CO -0.07 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.13 3hrx n GLY 171 N 1.16 0.73 0.29 0.83 0.00 -0.54 -4.48 105.19 103.18 3hrx n GLY 171 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 0.44 -8.50 0.99 3.38 -1.22 -3.42 115.31 106.98 3hrx h LEU 172 Ca 0.00 -0.03 -0.30 0.00 0.09 0.00 0.00 57.88 57.64 3hrx h LEU 172 Cb 0.00 -0.11 -0.16 0.00 0.09 0.00 0.00 40.66 40.48 3hrx h LEU 172 CO 0.00 0.38 -0.72 0.68 0.09 0.00 0.00 178.44 178.88 3hrx s VAL 173 N -5.29 0.94 -0.52 1.22 -7.23 -1.16 -4.85 120.40 103.51 3hrx s VAL 173 Ca -0.08 -1.81 0.22 0.00 -1.81 0.00 0.00 61.98 58.50 3hrx s VAL 173 Cb 0.17 -1.55 -0.25 0.00 0.56 0.00 0.00 36.38 35.30 3hrx s VAL 173 CO 0.74 -0.68 0.75 1.41 -0.31 0.00 0.00 175.10 177.01 3hrx n HIS 174 N 0.23 0.06 -3.67 2.82 8.25 0.14 -4.35 115.22 118.71 3hrx n HIS 174 Ca -0.14 0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.19 3hrx n HIS 174 Cb 0.59 -0.29 -0.08 0.00 1.12 0.00 0.00 29.99 31.33 3hrx n HIS 174 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hrx s ARG 175 N -3.25 0.82 -0.09 -0.41 0.52 -1.16 -5.04 118.95 110.33 3hrx s ARG 175 Ca 0.01 0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.24 3hrx s ARG 175 Cb 0.15 0.37 0.02 0.00 0.52 0.00 0.00 34.95 36.01 3hrx s ARG 175 CO 0.87 -0.24 -0.11 0.08 0.02 0.00 0.00 175.30 175.93 3hrx s VAL 176 N -1.22 1.14 0.09 3.52 1.01 -1.26 -1.21 120.40 122.47 3hrx s VAL 176 Ca -0.12 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3hrx s VAL 176 Cb -0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3hrx s VAL 176 CO 0.06 0.37 -0.07 0.68 0.00 0.00 0.00 175.10 176.15 3hrx s VAL 177 N 1.09 0.66 0.40 2.92 -7.23 -0.73 -4.96 120.40 112.56 3hrx s VAL 177 Ca -0.06 -1.82 -0.25 0.00 -1.81 0.00 0.00 61.98 58.04 3hrx s VAL 177 Cb -0.14 -1.54 -0.11 0.00 0.56 0.00 0.00 36.38 35.14 3hrx s VAL 177 CO -0.02 -0.81 0.94 -2.65 -0.31 0.00 0.00 175.10 172.25 3hrx n PRO 178 N 0.15 1.22 -0.32 4.82 -0.02 -1.26 -1.12 135.00 138.47 3hrx n PRO 178 Ca -0.14 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 61.88 3hrx n PRO 178 Cb 0.60 -1.92 0.27 0.00 -0.02 0.00 0.00 33.50 32.43 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 1.49 1.46 0.00 3.55 0.00 -1.91 0.79 119.26 124.63 3hrx h ALA 179 Ca -0.43 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hrx h ALA 179 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hrx h ALA 179 CO 0.57 -0.09 0.00 -0.85 0.00 0.00 0.00 179.25 178.87 3hrx n GLU 180 N -4.84 0.16 -0.00 0.00 0.00 -1.26 -2.96 120.64 111.73 3hrx n GLU 180 Ca 0.20 0.11 0.06 0.00 0.00 0.00 0.00 57.16 57.54 3hrx n GLU 180 Cb 0.51 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.37 3hrx n GLU 180 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hrx n LYS 181 N -1.39 2.20 -0.03 3.44 5.02 0.20 -4.76 118.16 122.84 3hrx n LYS 181 Ca 0.08 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 3hrx n LYS 181 Cb 0.20 -1.15 -0.07 0.00 -0.02 0.00 0.00 35.03 34.00 3hrx n LYS 181 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3hrx h LEU 182 N 0.00 -1.44 -1.02 -0.35 5.85 -1.26 -1.66 115.31 115.44 3hrx h LEU 182 Ca 0.00 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 3hrx h LEU 182 Cb 0.37 0.59 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3hrx h LEU 182 CO 0.00 -0.43 0.02 0.24 -0.34 0.00 0.00 178.44 177.93 3hrx h MET 183 N -0.48 0.72 -0.44 1.25 2.86 -1.86 0.13 114.93 117.12 3hrx h MET 183 Ca 0.08 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3hrx h MET 183 Cb 0.63 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3hrx h MET 183 CO -0.44 0.73 0.08 1.49 1.06 0.00 0.00 176.91 179.82 3hrx h GLU 184 N 0.68 0.71 -0.27 1.72 4.81 -1.81 0.97 114.58 121.40 3hrx h GLU 184 Ca 0.14 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3hrx h GLU 184 Cb 0.40 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3hrx h GLU 184 CO 0.01 0.73 -0.03 0.93 -0.73 0.00 0.00 179.01 179.93 3hrx h GLU 185 N 0.58 0.49 -0.53 1.92 4.39 -1.09 -0.37 114.58 119.98 3hrx h GLU 185 Ca 0.13 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3hrx h GLU 185 Cb 0.36 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3hrx h GLU 185 CO 0.01 0.68 0.24 0.00 -1.16 0.00 0.00 179.01 178.78 3hrx h ALA 186 N 0.80 0.68 -0.50 3.43 0.00 -0.87 -0.96 119.26 121.83 3hrx h ALA 186 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3hrx h ALA 186 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hrx h ALA 186 CO 0.02 0.26 -0.10 1.25 0.00 0.00 0.00 179.25 180.68 3hrx h LEU 187 N 0.71 0.93 -0.70 0.00 5.85 -0.75 -0.33 115.31 121.01 3hrx h LEU 187 Ca 0.18 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3hrx h LEU 187 Cb 0.14 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3hrx h LEU 187 CO -0.02 1.04 0.35 -1.28 -0.34 0.00 0.00 178.44 178.19 3hrx h SER 188 N 0.84 0.91 -0.39 1.25 0.87 -0.75 0.53 113.55 116.81 3hrx h SER 188 Ca 0.14 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 3hrx h SER 188 Cb 0.64 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3hrx h SER 188 CO 0.04 0.78 0.01 0.25 -0.53 0.00 0.00 176.83 177.39 3hrx h LEU 189 N 0.98 0.66 -1.05 2.23 5.85 -0.93 -2.14 115.31 120.91 3hrx h LEU 189 Ca 0.24 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3hrx h LEU 189 Cb 0.11 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3hrx h LEU 189 CO -0.03 0.80 0.47 0.00 -0.34 0.00 0.00 178.44 179.33 3hrx h ALA 190 N 0.89 1.28 -0.24 1.25 0.00 -0.67 -1.13 119.26 120.63 3hrx h ALA 190 Ca 0.11 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3hrx h ALA 190 Cb 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hrx h ALA 190 CO 0.02 0.60 -0.34 0.87 0.00 0.00 0.00 179.25 180.40 3hrx h LYS 191 N 1.14 0.51 -0.31 0.00 1.57 -0.75 0.89 116.57 119.61 3hrx h LYS 191 Ca 0.29 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3hrx h LYS 191 Cb -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3hrx h LYS 191 CO -0.05 0.78 0.07 0.93 -0.57 0.00 0.00 179.45 180.61 3hrx h GLU 192 N 0.43 0.49 -0.36 3.15 5.08 -0.80 -2.52 114.58 120.07 3hrx h GLU 192 Ca 0.05 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3hrx h GLU 192 Cb 0.80 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3hrx h GLU 192 CO 0.06 0.57 0.05 -0.07 -1.00 0.00 0.00 179.01 178.63 3hrx h LEU 193 N 0.33 0.49 -1.29 1.33 3.38 -0.95 -1.58 115.31 117.01 3hrx h LEU 193 Ca 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hrx h LEU 193 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hrx h LEU 193 CO 0.00 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.05 3hrx h ALA 194 N 1.55 1.00 -0.01 1.53 0.00 -0.39 -0.25 119.26 122.68 3hrx h ALA 194 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hrx h ALA 194 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hrx h ALA 194 CO 0.00 0.00 -0.47 1.04 0.00 0.00 0.00 179.25 179.82 3hrx n GLN 195 N -2.39 1.26 -2.11 0.00 1.13 -0.61 -4.76 117.38 109.89 3hrx n GLN 195 Ca -0.00 -0.96 -0.28 0.00 -1.94 0.00 0.00 57.00 53.82 3hrx n GLN 195 Cb 0.14 -1.45 0.17 0.00 0.11 0.00 0.00 30.24 29.20 3hrx n GLN 195 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3hrx s GLY 196 N -2.41 1.78 -1.14 1.08 0.00 -0.10 -4.13 107.32 102.39 3hrx s GLY 196 Ca 0.18 -1.36 -0.22 0.00 0.00 0.00 0.00 44.72 43.31 3hrx s GLY 196 CO 0.56 -0.64 1.81 2.56 0.00 0.00 0.00 173.10 177.38 3hrx s PRO 197 N -5.70 3.10 0.34 2.90 0.04 -1.26 -4.30 135.00 130.11 3hrx s PRO 197 Ca 0.72 -1.23 0.11 0.00 0.04 0.00 0.00 61.00 60.64 3hrx s PRO 197 Cb -0.04 -5.31 0.93 0.00 0.04 0.00 0.00 34.50 30.12 3hrx s PRO 197 CO 0.51 -3.11 1.74 1.15 0.04 0.00 0.00 177.00 177.32 3hrx h THR 198 N 6.30 0.54 -0.34 1.26 2.02 -1.87 -0.14 112.91 120.69 3hrx h THR 198 Ca 0.26 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 3hrx h THR 198 Cb 0.94 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3hrx h THR 198 CO 1.32 0.10 -0.23 0.03 0.37 0.00 0.00 175.52 177.11 3hrx h ARG 199 N 0.55 0.65 -0.55 6.66 2.47 -1.86 -0.25 114.38 122.05 3hrx h ARG 199 Ca 0.63 -0.25 -0.05 0.00 -1.26 0.00 0.00 59.98 59.05 3hrx h ARG 199 Cb 1.28 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 3hrx h ARG 199 CO -0.44 0.83 0.15 0.00 0.56 0.00 0.00 179.97 181.07 3hrx h ALA 200 N 1.17 0.73 -0.19 0.04 0.00 -1.44 -0.53 119.26 119.04 3hrx h ALA 200 Ca 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hrx h ALA 200 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hrx h ALA 200 CO 0.05 0.42 0.10 1.88 0.00 0.00 0.00 179.25 181.70 3hrx h TYR 201 N 0.78 0.26 -0.18 0.00 0.99 -1.11 -0.11 116.97 117.61 3hrx h TYR 201 Ca 0.18 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.91 3hrx h TYR 201 Cb 0.32 -0.08 -0.02 0.00 1.00 0.00 0.00 36.73 37.95 3hrx h TYR 201 CO 0.02 0.25 0.07 0.00 -0.00 0.00 0.00 178.16 178.50 3hrx h ALA 202 N 0.99 0.20 0.00 3.88 0.00 -0.78 -1.19 119.26 122.36 3hrx h ALA 202 Ca 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3hrx h ALA 202 Cb 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hrx h ALA 202 CO -0.01 -0.36 -0.54 -0.07 0.00 0.00 0.00 179.25 178.27 3hrx h LEU 203 N 0.16 0.00 -0.41 0.00 3.38 -1.04 -2.54 115.31 114.86 3hrx h LEU 203 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3hrx h LEU 203 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hrx h LEU 203 CO -0.07 0.54 -0.36 0.74 0.09 0.00 0.00 178.44 179.38 3hrx h THR 204 N 0.00 1.27 -0.78 0.22 2.02 -0.71 -2.40 112.91 112.53 3hrx h THR 204 Ca -0.01 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 3hrx h THR 204 Cb 0.98 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 3hrx h THR 204 CO 0.07 0.52 0.40 0.11 0.37 0.00 0.00 175.52 176.99 3hrx h LYS 205 N 0.79 1.09 -0.49 6.66 1.57 -1.02 -1.86 116.57 123.31 3hrx h LYS 205 Ca 0.07 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3hrx h LYS 205 Cb 0.95 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 3hrx h LYS 205 CO 0.09 0.82 0.20 -0.22 -0.57 0.00 0.00 179.45 179.77 3hrx h LYS 206 N 1.09 0.72 -0.39 3.15 3.64 -1.27 -0.74 116.57 122.79 3hrx h LYS 206 Ca 0.27 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3hrx h LYS 206 Cb 0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3hrx h LYS 206 CO -0.04 0.64 0.24 -0.07 -2.27 0.00 0.00 179.45 177.95 3hrx h LEU 207 N 0.64 0.46 -0.69 5.20 3.38 -1.02 -2.59 115.31 120.69 3hrx h LEU 207 Ca 0.16 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hrx h LEU 207 Cb 0.18 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3hrx h LEU 207 CO -0.01 0.36 0.24 -0.07 0.09 0.00 0.00 178.44 179.04 3hrx h LEU 208 N 0.51 0.98 -1.57 1.67 3.38 -1.11 -1.10 115.31 118.08 3hrx h LEU 208 Ca 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3hrx h LEU 208 Cb -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3hrx h LEU 208 CO -0.03 0.91 -0.06 0.25 0.09 0.00 0.00 178.44 179.61 3hrx h LEU 209 N 1.00 0.18 -0.72 1.67 5.85 -0.93 -3.14 115.31 119.22 3hrx h LEU 209 Ca 0.23 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3hrx h LEU 209 Cb 0.26 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3hrx h LEU 209 CO -0.01 0.28 -0.47 -0.62 -0.34 0.00 0.00 178.44 177.28 3hrx n GLU 210 N -4.36 1.52 -0.38 1.25 1.02 -0.99 -4.75 120.64 113.96 3hrx n GLU 210 Ca -0.01 -0.67 -0.02 0.00 -0.02 0.00 0.00 57.16 56.44 3hrx n GLU 210 Cb 0.20 -1.32 0.12 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.54 1.24 -0.04 2.62 1.03 -1.15 -3.22 112.91 114.93 3hrx h THR 211 Ca 0.00 -0.46 -0.05 0.00 -0.01 0.00 0.00 66.41 65.89 3hrx h THR 211 Cb 0.56 -0.22 -0.01 0.00 -1.07 0.00 0.00 68.15 67.41 3hrx h THR 211 CO 0.00 0.24 -0.21 1.88 -0.01 0.00 0.00 175.52 177.43 3hrx h TYR 212 N 1.34 0.07 -0.01 0.00 -1.99 -1.85 -2.75 116.97 111.77 3hrx h TYR 212 Ca 0.37 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.10 3hrx h TYR 212 Cb -0.13 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.58 3hrx h TYR 212 CO -0.00 0.27 -0.05 2.89 -0.00 0.00 0.00 178.16 181.28 3hrx n ARG 213 N -4.26 1.55 -3.74 4.88 1.85 -1.22 -4.91 116.66 110.81 3hrx n ARG 213 Ca -0.02 -0.93 -0.31 0.00 -1.00 0.00 0.00 57.85 55.59 3hrx n ARG 213 Cb 0.29 -1.48 -0.04 0.00 -1.05 0.00 0.00 32.46 30.17 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 -2.09 4.29 0.67 2.89 1.43 -1.04 -5.09 118.68 119.74 3hrx s LEU 214 Ca 0.35 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.85 3hrx s LEU 214 Cb 0.21 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 43.21 3hrx s LEU 214 CO 0.37 0.08 1.05 -0.94 0.23 0.00 0.00 176.35 177.14 3hrx s SER 215 N -2.46 5.58 0.23 2.29 1.04 -1.26 -4.83 113.70 114.29 3hrx s SER 215 Ca 0.39 1.08 -0.07 0.00 0.48 0.00 0.00 55.95 57.84 3hrx s SER 215 Cb -0.12 -1.96 0.28 0.00 0.10 0.00 0.00 66.02 64.32 3hrx s SER 215 CO 0.26 -1.22 1.87 0.25 0.98 0.00 0.00 173.24 175.38 3hrx h LEU 216 N -0.51 0.89 -0.55 2.42 5.85 -1.98 0.08 115.31 121.51 3hrx h LEU 216 Ca -0.45 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.29 3hrx h LEU 216 Cb 1.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3hrx h LEU 216 CO 0.63 0.60 0.34 0.74 -0.34 0.00 0.00 178.44 180.41 3hrx h THR 217 N 1.04 1.07 -0.31 1.05 2.02 -1.99 0.10 112.91 115.89 3hrx h THR 217 Ca 0.35 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 67.19 3hrx h THR 217 Cb 0.06 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3hrx h THR 217 CO -0.13 0.12 -0.25 -0.33 0.37 0.00 0.00 175.52 175.30 3hrx h GLU 218 N 0.68 0.62 -0.40 6.66 5.08 -1.78 -1.90 114.58 123.54 3hrx h GLU 218 Ca 0.22 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3hrx h GLU 218 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hrx h GLU 218 CO -0.09 0.81 -0.04 0.00 -1.00 0.00 0.00 179.01 178.70 3hrx h ALA 219 N 1.19 0.54 -0.57 3.43 0.00 -0.33 -1.19 119.26 122.32 3hrx h ALA 219 Ca 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3hrx h ALA 219 Cb 0.72 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3hrx h ALA 219 CO 0.05 0.35 0.17 -0.07 0.00 0.00 0.00 179.25 179.76 3hrx h LEU 220 N 0.55 0.80 -0.47 0.00 3.38 -0.67 0.06 115.31 118.95 3hrx h LEU 220 Ca 0.11 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3hrx h LEU 220 Cb 0.53 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hrx h LEU 220 CO 0.03 0.76 -0.07 0.00 0.09 0.00 0.00 178.44 179.24 3hrx h ALA 221 N 1.35 0.64 -0.58 1.53 0.00 -1.11 -1.61 119.26 119.49 3hrx h ALA 221 Ca 0.19 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3hrx h ALA 221 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hrx h ALA 221 CO -0.01 0.51 0.01 1.25 0.00 0.00 0.00 179.25 181.01 3hrx h LEU 222 N 0.73 1.01 -0.79 0.00 5.85 -0.82 -1.38 115.31 119.90 3hrx h LEU 222 Ca 0.12 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3hrx h LEU 222 Cb 0.61 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3hrx h LEU 222 CO 0.04 1.06 0.52 -0.33 -0.34 0.00 0.00 178.44 179.39 3hrx h GLU 223 N 0.92 1.02 -0.34 1.25 5.08 -0.86 -0.13 114.58 121.53 3hrx h GLU 223 Ca 0.17 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hrx h GLU 223 Cb 0.54 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3hrx h GLU 223 CO 0.03 0.68 0.21 0.00 -1.00 0.00 0.00 179.01 178.92 3hrx h ALA 224 N 1.30 0.43 0.08 3.43 0.00 -0.84 0.13 119.26 123.79 3hrx h ALA 224 Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hrx h ALA 224 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hrx h ALA 224 CO -0.07 -0.08 -0.04 0.28 0.00 0.00 0.00 179.25 179.34 3hrx h VAL 225 N 0.44 0.99 -0.14 0.00 2.07 -0.77 -1.67 116.25 117.17 3hrx h VAL 225 Ca 0.12 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 3hrx h VAL 225 Cb -0.01 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 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 -0.21 0.33 -0.91 2.57 3.38 -0.94 -2.57 115.31 116.96 3hrx h LEU 226 Ca -0.01 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 3hrx h LEU 226 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hrx h LEU 226 CO 0.02 0.72 -0.46 -0.61 0.09 0.00 0.00 178.44 178.19 3hrx h GLN 227 N 0.26 0.18 -0.77 1.13 5.75 -0.69 -0.44 115.11 120.52 3hrx h GLN 227 Ca 0.02 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 3hrx h GLN 227 Cb 0.85 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.37 3hrx h GLN 227 CO 0.07 0.61 0.41 0.78 -2.65 0.00 0.00 178.83 178.05 3hrx h GLY 228 N 1.33 1.16 0.69 2.39 0.00 -0.91 0.25 103.07 107.97 3hrx h GLY 228 Ca 0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 3hrx h GLY 228 CO 0.07 0.51 -0.05 1.46 0.00 0.00 0.00 176.54 178.54 3hrx h GLN 229 N 1.07 0.20 -0.79 4.80 4.20 -1.12 -3.10 115.11 120.37 3hrx h GLN 229 Ca 0.27 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3hrx h GLN 229 Cb 0.05 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 3hrx h GLN 229 CO -0.04 0.55 0.51 0.00 -0.67 0.00 0.00 178.83 179.18 3hrx h ALA 230 N 0.64 1.41 0.00 3.87 0.00 -0.84 -2.23 119.26 122.11 3hrx h ALA 230 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hrx h ALA 230 Cb 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hrx h ALA 230 CO 0.01 0.54 0.00 0.78 0.00 0.00 0.00 179.25 180.58 3hrx h GLY 231 N 1.09 0.00 -0.55 0.00 0.00 -0.45 -2.50 103.07 100.67 3hrx h GLY 231 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3hrx h GLY 231 CO -0.06 0.00 -0.28 -1.06 0.00 0.00 0.00 176.54 175.14 3hrx n GLN 232 N -3.07 1.24 -2.08 4.80 6.02 -0.84 -4.78 117.38 118.67 3hrx n GLN 232 Ca -0.01 -0.90 -0.33 0.00 -0.01 0.00 0.00 57.00 55.75 3hrx n GLN 232 Cb 0.19 -1.48 0.01 0.00 1.02 0.00 0.00 30.24 29.98 3hrx n GLN 232 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3hrx s THR 233 N -2.38 3.56 0.37 5.09 -4.23 -0.94 -4.93 115.64 112.18 3hrx s THR 233 Ca 0.24 0.80 0.10 0.00 -1.18 0.00 0.00 61.69 61.66 3hrx s THR 233 Cb 0.19 -3.31 0.12 0.00 1.34 0.00 0.00 72.50 70.85 3hrx s THR 233 CO 0.49 -0.37 1.86 0.06 -0.54 0.00 0.00 174.62 176.12 3hrx h GLN 234 N 0.63 0.17 -0.69 3.99 -0.00 -1.57 -2.76 115.11 114.89 3hrx h GLN 234 Ca -0.48 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.08 3hrx h GLN 234 Cb 1.23 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 28.66 3hrx h GLN 234 CO 0.57 0.41 0.26 -0.44 -0.00 0.00 0.00 178.83 179.63 3hrx h ASP 235 N 0.16 0.95 -0.35 0.06 3.45 -1.92 -0.83 116.42 117.94 3hrx h ASP 235 Ca 0.03 -0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.31 3hrx h ASP 235 Cb 0.51 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 3hrx h ASP 235 CO 0.04 0.85 0.09 -0.74 -1.57 0.00 0.00 179.24 177.91 3hrx h HIS 236 N 1.00 0.58 -0.30 4.55 2.76 -1.72 0.40 115.15 122.42 3hrx h HIS 236 Ca 0.23 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 3hrx h HIS 236 Cb 0.21 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 3hrx h HIS 236 CO 0.02 0.58 0.12 1.49 -1.30 0.00 0.00 177.93 178.84 3hrx h GLU 237 N 0.41 0.26 -0.87 5.26 4.81 -1.44 -0.10 114.58 122.90 3hrx h GLU 237 Ca 0.11 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3hrx h GLU 237 Cb 0.29 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3hrx h GLU 237 CO 0.00 0.17 0.53 1.49 -0.73 0.00 0.00 179.01 180.47 3hrx h GLU 238 N 0.27 1.18 -0.37 1.92 4.57 -0.88 -0.25 114.58 121.02 3hrx h GLU 238 Ca 0.13 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3hrx h GLU 238 Cb 0.08 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 3hrx h GLU 238 CO -0.11 0.82 0.22 0.78 -1.18 0.00 0.00 179.01 179.54 3hrx h GLY 239 N 1.21 0.53 1.01 1.92 0.00 0.92 0.96 103.07 109.62 3hrx h GLY 239 Ca 0.31 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 3hrx h GLY 239 CO -0.06 0.21 -0.05 -2.08 0.00 0.00 0.00 176.54 174.56 3hrx h VAL 240 N 0.48 1.27 -0.47 4.60 2.07 -0.68 -2.48 116.25 121.04 3hrx h VAL 240 Ca 0.13 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3hrx h VAL 240 Cb -0.00 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3hrx h VAL 240 CO -0.03 0.40 0.21 -0.09 0.02 0.00 0.00 177.57 178.08 3hrx h ARG 241 N 0.70 0.69 -0.57 1.57 2.43 -0.80 -1.93 114.38 116.47 3hrx h ARG 241 Ca 0.12 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3hrx h ARG 241 Cb 0.58 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3hrx h ARG 241 CO 0.03 0.60 0.15 0.00 -1.51 0.00 0.00 179.97 179.24 3hrx h ALA 242 N 1.06 1.19 -0.25 2.80 0.00 -0.77 -0.57 119.26 122.72 3hrx h ALA 242 Ca 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3hrx h ALA 242 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hrx h ALA 242 CO -0.02 0.56 -0.02 0.35 0.00 0.00 0.00 179.25 180.12 3hrx h PHE 243 N 0.84 0.50 -0.56 0.00 3.04 -1.20 0.53 116.94 120.10 3hrx h PHE 243 Ca 0.19 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 3hrx h PHE 243 Cb 0.29 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 3hrx h PHE 243 CO 0.02 0.64 0.20 0.00 -2.02 0.00 0.00 178.31 177.14 3hrx h ARG 244 N 0.23 0.85 0.00 1.11 3.08 -1.15 -2.17 114.38 116.33 3hrx h ARG 244 Ca 0.07 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3hrx h ARG 244 Cb 0.45 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3hrx h ARG 244 CO 0.02 0.76 0.00 0.39 -1.07 0.00 0.00 179.97 180.07 3hrx n GLU 245 N -4.47 0.96 -4.00 0.04 1.02 -0.24 -4.89 120.64 109.06 3hrx n GLU 245 Ca 0.03 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 3hrx n GLU 245 Cb 0.18 -1.33 0.01 0.00 -0.02 0.00 0.00 31.44 30.29 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 -0.83 -4.63 -4.28 3.49 -0.00 -0.53 -4.97 118.16 106.42 3hrx n LYS 246 Ca 0.15 0.52 -0.15 0.00 -0.00 0.00 0.00 58.31 58.82 3hrx n LYS 246 Cb 0.07 -5.30 -0.10 0.00 -0.00 0.00 0.00 35.03 29.70 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 -6.68 1.16 0.33 -1.58 1.70 0.07 -5.04 118.95 108.91 3hrx s ARG 247 Ca 0.61 -1.53 -0.28 0.00 -0.47 0.00 0.00 55.73 54.06 3hrx s ARG 247 Cb -0.32 -0.67 -0.10 0.00 -0.57 0.00 0.00 34.95 33.29 3hrx s ARG 247 CO 0.86 0.04 1.26 -2.14 -1.08 0.00 0.00 175.30 174.24 3hrx s PRO 248 N -3.77 4.37 0.56 3.89 0.02 -1.26 -4.31 135.00 134.50 3hrx s PRO 248 Ca 0.21 2.10 -0.15 0.00 0.02 0.00 0.00 61.00 63.18 3hrx s PRO 248 Cb 0.03 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.45 3hrx s PRO 248 CO 0.03 -0.14 1.02 -1.25 -0.33 0.00 0.00 177.00 176.33 3hrx s PRO 249 N -1.79 3.67 -0.54 5.54 0.04 -1.26 -4.92 135.00 135.73 3hrx s PRO 249 Ca 0.49 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.56 3hrx s PRO 249 Cb -0.37 -2.09 0.14 0.00 0.04 0.00 0.00 34.50 32.21 3hrx s PRO 249 CO 0.49 -0.51 0.31 1.03 0.04 0.00 0.00 177.00 178.36 3hrx s ARG 250 N -4.31 1.94 0.46 4.56 0.52 -1.26 -5.10 118.95 115.76 3hrx s ARG 250 Ca 0.59 -2.66 -0.20 0.00 -0.52 0.00 0.00 55.73 52.94 3hrx s ARG 250 Cb -0.12 -3.14 -0.10 0.00 0.52 0.00 0.00 34.95 32.12 3hrx s ARG 250 CO 0.38 -1.16 0.99 -0.06 0.02 0.00 0.00 175.30 175.47 3hrx s PHE 251 N -0.42 3.16 0.00 -0.53 2.99 -1.26 -4.99 117.98 116.93 3hrx s PHE 251 Ca 0.19 1.59 0.00 0.00 0.00 0.00 0.00 56.93 58.71 3hrx s PHE 251 Cb -0.21 -2.95 0.00 0.00 0.00 0.00 0.00 43.02 39.86 3hrx s PHE 251 CO -0.04 -0.47 0.64 1.04 -0.00 0.00 0.00 175.22 176.39 3hrx n GLN 252 N -0.83 1.03 -2.44 0.44 6.02 -1.26 -4.84 117.38 115.50 3hrx n GLN 252 Ca 0.08 -0.84 -0.08 0.00 -0.01 0.00 0.00 57.00 56.15 3hrx n GLN 252 Cb 0.53 -0.79 0.01 0.00 1.02 0.00 0.00 30.24 31.01 3hrx n GLN 252 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hrx n GLY 253 N -0.20 0.19 0.00 1.08 0.00 -1.26 -4.96 105.19 100.04 3hrx n GLY 253 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3hrx n GLY 253 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36