#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 0.59 0.06 1.12 1.01 -1.26 0.88 120.40 122.80 3hrx s VAL 2 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3hrx s VAL 2 Cb 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3hrx s VAL 2 CO 0.00 -0.33 1.03 -0.22 0.00 0.00 0.00 175.10 175.59 3hrx s LEU 3 N 1.81 4.41 -0.09 3.92 2.96 -0.42 -4.88 118.68 126.39 3hrx s LEU 3 Ca 0.01 1.81 0.04 0.00 -0.22 0.00 0.00 54.13 55.77 3hrx s LEU 3 Cb -0.17 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 3hrx s LEU 3 CO -0.13 -0.25 -0.22 -0.54 -1.32 0.00 0.00 176.35 173.89 3hrx s LYS 4 N 0.64 2.92 -0.05 1.98 1.02 -1.26 -1.09 119.74 123.90 3hrx s LYS 4 Ca 0.52 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.65 3hrx s LYS 4 Cb -0.24 -2.32 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 3hrx s LYS 4 CO 0.29 0.27 0.10 -1.21 -0.92 0.00 0.00 175.35 173.89 3hrx s GLU 5 N 0.13 0.04 -0.10 1.68 2.02 -0.50 -4.99 118.70 116.99 3hrx s GLU 5 Ca -0.11 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.20 3hrx s GLU 5 Cb -0.16 -0.21 -0.02 0.00 0.10 0.00 0.00 34.13 33.84 3hrx s GLU 5 CO 0.06 -0.17 -0.14 1.03 0.02 0.00 0.00 175.26 176.06 3hrx s ARG 6 N 1.16 3.02 -0.28 1.61 0.52 -1.26 0.65 118.95 124.36 3hrx s ARG 6 Ca -0.09 -0.70 -0.17 0.00 -0.52 0.00 0.00 55.73 54.25 3hrx s ARG 6 Cb -0.12 -2.52 0.10 0.00 0.52 0.00 0.00 34.95 32.93 3hrx s ARG 6 CO -0.05 0.38 0.79 -0.65 0.02 0.00 0.00 175.30 175.79 3hrx s GLN 7 N -0.09 0.61 -1.51 3.54 -1.52 -0.38 -4.97 119.66 115.35 3hrx s GLN 7 Ca -0.02 1.01 -0.13 0.00 -1.95 0.00 0.00 55.36 54.27 3hrx s GLN 7 Cb -0.14 0.15 0.07 0.00 -0.22 0.00 0.00 33.01 32.87 3hrx s GLN 7 CO 0.04 -0.12 1.02 -0.25 -0.25 0.00 0.00 175.29 175.72 3hrx n ASP 8 N 3.90 -5.06 0.00 5.90 8.00 -1.26 -1.40 116.55 126.63 3hrx n ASP 8 Ca -0.19 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3hrx n ASP 8 Cb 0.58 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 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 -1.75 0.78 3.48 0.44 0.00 -1.26 -4.85 105.19 102.03 3hrx n GLY 9 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.20 3.62 -0.38 1.61 1.01 -0.50 -0.05 120.40 122.52 3hrx s VAL 10 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 3hrx s VAL 10 Cb 0.00 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.84 3hrx s VAL 10 CO 0.00 0.52 0.25 -0.22 0.00 0.00 0.00 175.10 175.65 3hrx s LEU 11 N 0.15 4.79 -0.24 3.92 2.96 0.00 -1.25 118.68 129.02 3hrx s LEU 11 Ca -0.03 -0.76 -0.16 0.00 -0.22 0.00 0.00 54.13 52.96 3hrx s LEU 11 Cb -0.14 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3hrx s LEU 11 CO 0.03 -0.36 0.39 -0.69 -1.32 0.00 0.00 176.35 174.41 3hrx s VAL 12 N 1.66 5.18 -0.18 1.68 1.01 0.21 -1.38 120.40 128.58 3hrx s VAL 12 Ca 0.05 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 3hrx s VAL 12 Cb -0.18 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3hrx s VAL 12 CO 0.09 0.19 -0.06 -0.76 0.00 0.00 0.00 175.10 174.57 3hrx s LEU 13 N 1.74 3.01 -0.21 3.92 1.43 0.13 -1.41 118.68 127.30 3hrx s LEU 13 Ca 0.17 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3hrx s LEU 13 Cb -0.15 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.38 3hrx s LEU 13 CO 0.09 0.10 -0.12 -0.89 0.23 0.00 0.00 176.35 175.75 3hrx s THR 14 N 0.79 1.88 0.07 5.49 2.01 -0.25 -1.41 115.64 124.21 3hrx s THR 14 Ca -0.02 -1.18 -0.31 0.00 0.31 0.00 0.00 61.69 60.49 3hrx s THR 14 Cb -0.15 -1.91 -0.10 0.00 0.01 0.00 0.00 72.50 70.35 3hrx s THR 14 CO 0.02 0.18 1.90 0.18 -0.69 0.00 0.00 174.62 176.20 3hrx n LEU 15 N 4.60 4.04 -3.67 4.42 4.77 -0.31 -1.31 117.00 129.53 3hrx n LEU 15 Ca -0.16 0.95 -0.27 0.00 -0.03 0.00 0.00 56.01 56.50 3hrx n LEU 15 Cb 0.46 -1.52 -0.10 0.00 -2.33 0.00 0.00 43.42 39.93 3hrx n LEU 15 CO 0.21 0.16 0.00 -3.20 -1.33 0.00 0.00 177.39 173.24 3hrx n ASN 16 N 6.52 3.19 -2.79 -1.43 5.15 0.26 -1.46 115.26 124.70 3hrx n ASN 16 Ca 0.19 -3.28 -0.10 0.00 -0.60 0.00 0.00 54.58 50.79 3hrx n ASN 16 Cb 0.38 -0.71 0.04 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 1.50 1.11 -0.33 1.20 1.74 -1.26 -0.23 116.66 120.37 3hrx n ARG 17 Ca 0.24 -2.81 0.21 0.00 -0.77 0.00 0.00 57.85 54.72 3hrx n ARG 17 Cb 0.38 -1.04 0.46 0.00 -1.02 0.00 0.00 32.46 31.24 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 2.77 0.46 -0.43 5.56 0.13 -1.85 0.22 132.00 138.86 3hrx h PRO 18 Ca -0.10 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.02 3hrx h PRO 18 Cb 1.15 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3hrx h PRO 18 CO 0.33 0.30 0.29 1.05 -0.23 0.00 0.00 178.00 179.74 3hrx h GLU 19 N 0.47 0.51 -0.60 0.86 9.09 -1.94 -1.41 114.58 121.55 3hrx h GLU 19 Ca 0.61 -0.03 -0.23 0.00 0.05 0.00 0.00 59.36 59.76 3hrx h GLU 19 Cb 1.39 -0.11 -0.14 0.00 -1.65 0.00 0.00 28.75 28.24 3hrx h GLU 19 CO -0.36 0.33 0.20 1.63 0.05 0.00 0.00 179.01 180.87 3hrx n LYS 20 N -4.48 2.79 -3.21 1.06 5.02 -0.06 -4.92 118.16 114.36 3hrx n LYS 20 Ca 0.04 -3.06 -0.23 0.00 -2.02 0.00 0.00 58.31 53.04 3hrx n LYS 20 Cb 0.11 -2.04 0.02 0.00 -0.02 0.00 0.00 35.03 33.10 3hrx n LYS 20 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hrx n LEU 21 N -0.68 -2.17 -3.28 -0.35 4.77 -0.53 -1.22 117.00 113.54 3hrx n LEU 21 Ca 0.39 -0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 55.79 3hrx n LEU 21 Cb 1.26 -2.58 0.01 0.00 -2.33 0.00 0.00 43.42 39.79 3hrx n LEU 21 CO 0.35 0.21 -0.01 0.59 -1.33 0.00 0.00 177.39 177.21 3hrx n ASN 22 N -2.44 -4.71 -4.69 -1.43 3.02 0.59 -2.07 115.26 103.55 3hrx n ASN 22 Ca -0.06 -0.38 -0.39 0.00 -0.03 0.00 0.00 54.58 53.72 3hrx n ASN 22 Cb 0.58 -3.84 0.03 0.00 -0.61 0.00 0.00 39.78 35.95 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 -3.63 1.02 -2.33 5.41 0.00 -0.35 -4.36 120.51 116.26 3hrx n ALA 23 Ca -0.05 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3hrx n ALA 23 Cb 0.57 -2.24 -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 -1.31 4.72 0.07 0.00 1.01 0.13 -4.72 121.20 121.10 3hrx s ILE 24 Ca 0.69 1.47 0.01 0.00 0.00 0.00 0.00 60.65 62.82 3hrx s ILE 24 Cb -0.46 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 3hrx s ILE 24 CO 0.52 0.44 -0.06 0.42 0.00 0.00 0.00 174.94 176.25 3hrx s THR 25 N -0.45 0.57 0.48 2.92 -4.23 -1.26 -0.49 115.64 113.18 3hrx s THR 25 Ca 0.34 -1.67 0.21 0.00 -1.18 0.00 0.00 61.69 59.40 3hrx s THR 25 Cb -0.20 -1.34 0.38 0.00 1.34 0.00 0.00 72.50 72.68 3hrx s THR 25 CO 0.21 -0.75 1.96 1.23 -0.54 0.00 0.00 174.62 176.73 3hrx h GLY 26 N 3.44 0.31 0.92 3.99 0.00 -1.99 -0.44 103.07 109.30 3hrx h GLY 26 Ca -0.35 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 3hrx h GLY 26 CO 0.58 0.03 -0.09 -2.09 0.00 0.00 0.00 176.54 174.97 3hrx h GLU 27 N 0.19 0.64 -0.34 4.80 4.81 -1.99 -1.55 114.58 121.13 3hrx h GLU 27 Ca 0.31 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3hrx h GLU 27 Cb 0.96 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3hrx h GLU 27 CO -0.05 0.82 -0.14 1.25 -0.73 0.00 0.00 179.01 180.15 3hrx h LEU 28 N 0.41 0.60 -0.90 1.64 6.46 -1.54 -2.04 115.31 119.95 3hrx h LEU 28 Ca 0.08 -0.17 -0.10 0.00 -0.12 0.00 0.00 57.88 57.57 3hrx h LEU 28 Cb 0.59 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 3hrx h LEU 28 CO 0.03 0.76 -0.28 -0.07 -0.62 0.00 0.00 178.44 178.27 3hrx h LEU 29 N 0.55 0.49 -0.44 2.25 3.38 -0.97 0.10 115.31 120.67 3hrx h LEU 29 Ca 0.10 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 3hrx h LEU 29 Cb 0.56 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hrx h LEU 29 CO 0.04 0.76 -0.51 0.44 0.09 0.00 0.00 178.44 179.26 3hrx h ASP 30 N 0.42 0.80 0.24 -0.43 3.32 -0.98 -0.27 116.42 119.53 3hrx h ASP 30 Ca 0.06 -0.41 -0.12 0.00 0.02 0.00 0.00 57.03 56.58 3hrx h ASP 30 Cb 0.71 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3hrx h ASP 30 CO 0.05 1.16 -0.46 0.00 -1.72 0.00 0.00 179.24 178.27 3hrx h ALA 31 N 0.86 1.01 -0.20 3.45 0.00 -1.07 -1.16 119.26 122.16 3hrx h ALA 31 Ca 0.02 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 3hrx h ALA 31 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hrx h ALA 31 CO 0.11 0.63 -0.49 1.25 0.00 0.00 0.00 179.25 180.75 3hrx h LEU 32 N 0.22 0.77 -0.37 0.00 5.85 -0.60 -1.77 115.31 119.41 3hrx h LEU 32 Ca 0.01 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 3hrx h LEU 32 Cb 0.90 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3hrx h LEU 32 CO 0.07 1.21 0.19 0.22 -0.34 0.00 0.00 178.44 179.79 3hrx h TYR 33 N 0.38 0.53 -0.61 1.25 5.03 -0.90 0.11 116.97 122.75 3hrx h TYR 33 Ca -0.01 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.30 3hrx h TYR 33 Cb 1.11 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 39.19 3hrx h TYR 33 CO 0.09 0.43 0.40 0.00 -1.32 0.00 0.00 178.16 177.76 3hrx h ALA 34 N 1.04 0.78 -0.53 1.82 0.00 -1.20 0.39 119.26 121.56 3hrx h ALA 34 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hrx h ALA 34 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hrx h ALA 34 CO -0.02 0.18 0.24 0.00 0.00 0.00 0.00 179.25 179.65 3hrx h ALA 35 N 1.24 0.69 -0.31 0.00 0.00 -0.96 -1.81 119.26 118.10 3hrx h ALA 35 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hrx h ALA 35 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3hrx h ALA 35 CO -0.06 0.27 0.08 -0.07 0.00 0.00 0.00 179.25 179.46 3hrx h LEU 36 N 0.71 0.47 -0.67 0.00 3.38 -0.57 -0.97 115.31 117.66 3hrx h LEU 36 Ca 0.18 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hrx h LEU 36 Cb 0.15 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3hrx h LEU 36 CO -0.02 0.58 0.38 0.50 0.09 0.00 0.00 178.44 179.97 3hrx h LYS 37 N 0.34 0.70 -0.02 1.13 3.64 -0.81 0.10 116.57 121.65 3hrx h LYS 37 Ca 0.10 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hrx h LYS 37 Cb 0.29 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3hrx h LYS 37 CO 0.00 0.46 0.01 1.49 -2.27 0.00 0.00 179.45 179.14 3hrx h GLU 38 N 0.72 0.04 -0.98 1.90 4.81 -1.13 -1.06 114.58 118.88 3hrx h GLU 38 Ca 0.29 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3hrx h GLU 38 Cb 0.14 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3hrx h GLU 38 CO -0.16 0.19 0.64 0.78 -0.73 0.00 0.00 179.01 179.73 3hrx h GLY 39 N -0.13 1.39 0.96 1.92 0.00 -0.82 0.12 103.07 106.51 3hrx h GLY 39 Ca 0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3hrx h GLY 39 CO -0.00 0.52 0.16 -2.09 0.00 0.00 0.00 176.54 175.13 3hrx h GLU 40 N 1.34 0.71 0.00 4.80 4.57 -0.64 -3.06 114.58 122.30 3hrx h GLU 40 Ca 0.36 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3hrx h GLU 40 Cb -0.13 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.33 3hrx h GLU 40 CO -0.08 0.67 -0.48 0.93 -1.18 0.00 0.00 179.01 178.87 3hrx h GLU 41 N 0.62 0.00 -6.44 1.92 5.08 -0.74 -3.42 114.58 111.59 3hrx h GLU 41 Ca 0.15 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.96 3hrx h GLU 41 Cb 0.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 3hrx h GLU 41 CO -0.01 0.48 1.09 0.34 -1.00 0.00 0.00 179.01 179.91 3hrx s ASP 42 N -6.50 6.18 0.51 1.42 -1.08 0.36 -4.86 116.67 112.71 3hrx s ASP 42 Ca 0.01 0.35 0.34 0.00 -0.52 0.00 0.00 52.55 52.73 3hrx s ASP 42 Cb 0.10 -2.55 1.76 0.00 -1.46 0.00 0.00 42.92 40.78 3hrx s ASP 42 CO 0.72 -1.65 2.04 0.03 0.52 0.00 0.00 175.17 176.83 3hrx h ARG 43 N 10.89 0.00 0.00 4.34 3.08 -1.84 -0.94 114.38 129.90 3hrx h ARG 43 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3hrx h ARG 43 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3hrx h ARG 43 CO 1.17 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 181.00 3hrx h GLU 44 N 0.00 0.00 -5.73 0.04 5.08 -1.92 -3.41 114.58 108.63 3hrx h GLU 44 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 3hrx h GLU 44 Cb 0.11 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.24 3hrx h GLU 44 CO 0.00 0.00 0.33 0.08 -1.00 0.00 0.00 179.01 178.42 3hrx s VAL 45 N -3.23 4.73 -1.44 3.13 1.01 -0.36 -4.47 120.40 119.77 3hrx s VAL 45 Ca 0.07 0.70 0.19 0.00 0.00 0.00 0.00 61.98 62.94 3hrx s VAL 45 Cb 0.08 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 3hrx s VAL 45 CO 0.61 -0.50 0.92 0.54 0.00 0.00 0.00 175.10 176.67 3hrx n ARG 46 N 6.44 1.16 -3.52 2.72 5.12 0.93 -4.93 116.66 124.58 3hrx n ARG 46 Ca 0.02 -0.55 -0.12 0.00 -1.93 0.00 0.00 57.85 55.27 3hrx n ARG 46 Cb 0.48 -1.39 -0.04 0.00 -1.16 0.00 0.00 32.46 30.35 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 -2.46 -1.82 0.12 7.54 0.00 -0.98 -4.17 121.76 120.00 3hrx s ALA 47 Ca 0.13 1.20 0.09 0.00 0.00 0.00 0.00 51.96 53.37 3hrx s ALA 47 Cb 0.15 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3hrx s ALA 47 CO 0.61 -0.50 -0.21 -0.51 0.00 0.00 0.00 175.76 175.15 3hrx s LEU 48 N -1.77 2.34 -0.09 0.00 1.02 -0.31 -0.82 118.68 119.04 3hrx s LEU 48 Ca -0.02 -0.74 -0.01 0.00 0.02 0.00 0.00 54.13 53.39 3hrx s LEU 48 Cb -0.01 -0.93 0.03 0.00 0.02 0.00 0.00 46.19 45.30 3hrx s LEU 48 CO -0.02 0.06 -0.03 -0.22 0.02 0.00 0.00 176.35 176.16 3hrx s LEU 49 N -2.12 0.86 -0.15 1.79 2.96 -0.48 -0.31 118.68 121.24 3hrx s LEU 49 Ca 0.10 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3hrx s LEU 49 Cb -0.09 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.95 3hrx s LEU 49 CO 0.05 -0.16 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.64 3hrx s LEU 50 N 1.85 3.10 0.00 -0.68 2.96 0.40 0.21 118.68 126.52 3hrx s LEU 50 Ca 0.05 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.73 3hrx s LEU 50 Cb -0.12 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3hrx s LEU 50 CO -0.07 0.16 0.53 1.07 -1.32 0.00 0.00 176.35 176.72 3hrx n THR 51 N 3.61 0.00 -4.36 3.68 5.66 -0.50 -0.84 114.28 121.52 3hrx n THR 51 Ca -0.18 -1.66 -0.29 0.00 -3.05 0.00 0.00 64.05 58.88 3hrx n THR 51 Cb 0.52 1.07 -0.12 0.00 -1.55 0.00 0.00 70.33 70.25 3hrx n THR 51 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3hrx s GLY 52 N -3.14 1.62 0.23 1.09 0.00 -1.26 -1.16 107.32 104.70 3hrx s GLY 52 Ca 0.27 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.42 3hrx s GLY 52 CO 0.19 -1.42 0.62 0.00 0.00 0.00 0.00 173.10 172.50 3hrx s ALA 53 N -1.10 3.49 0.00 3.20 0.00 -0.54 -4.84 121.76 121.97 3hrx s ALA 53 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3hrx s ALA 53 Cb -0.10 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.43 3hrx s ALA 53 CO 0.07 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.67 3hrx n GLY 54 N 0.17 -0.09 0.13 0.00 0.00 -1.26 -4.23 105.19 99.90 3hrx n GLY 54 Ca -0.01 -1.24 0.04 0.00 0.00 0.00 0.00 46.02 44.81 3hrx n GLY 54 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hrx h ARG 55 N 0.00 0.00 -6.33 1.61 0.11 -1.91 -3.48 114.38 104.39 3hrx h ARG 55 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 3hrx h ARG 55 Cb 0.00 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 30.95 3hrx h ARG 55 CO 0.00 0.32 -0.73 0.00 0.10 0.00 0.00 179.97 179.66 3hrx s ALA 56 N -3.02 2.89 -0.09 0.08 0.00 -1.26 -3.82 121.76 116.54 3hrx s ALA 56 Ca 0.01 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.27 3hrx s ALA 56 Cb 0.08 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 3hrx s ALA 56 CO 0.77 0.34 0.11 0.35 0.00 0.00 0.00 175.76 177.33 3hrx h PHE 57 N 2.45 -0.08 -0.63 0.00 3.57 -1.33 -3.36 116.94 117.56 3hrx h PHE 57 Ca -0.44 -0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.27 3hrx h PHE 57 Cb 1.24 0.03 -0.27 0.00 2.79 0.00 0.00 35.95 39.73 3hrx h PHE 57 CO 0.71 -0.03 0.45 0.45 -2.23 0.00 0.00 178.31 177.66 3hrx s SER 58 N -5.46 -0.26 0.00 0.41 0.15 -0.40 -4.41 113.70 103.73 3hrx s SER 58 Ca -0.02 0.37 0.20 0.00 0.70 0.00 0.00 55.95 57.21 3hrx s SER 58 Cb 0.00 1.27 1.22 0.00 -1.71 0.00 0.00 66.02 66.79 3hrx s SER 58 CO 0.05 -0.05 1.68 0.00 1.20 0.00 0.00 173.24 176.12 3hrx n ALA 59 N 4.43 2.46 0.00 5.45 0.00 -0.88 -1.36 120.51 130.61 3hrx n ALA 59 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hrx n ALA 59 Cb 0.55 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.60 -1.77 3.60 0.00 0.00 -1.02 -4.50 105.19 102.09 3hrx n GLY 60 Ca 0.15 -1.74 -0.50 0.00 0.00 0.00 0.00 46.02 43.93 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 1.29 -2.53 1.61 -0.06 -1.26 0.17 117.38 116.60 3hrx n GLN 61 Ca 0.00 0.46 -0.43 0.00 -2.00 0.00 0.00 57.00 55.03 3hrx n GLN 61 Cb 0.00 -2.09 -0.02 0.00 -4.06 0.00 0.00 30.24 24.07 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 0.42 6.72 0.60 1.69 3.68 0.35 -4.66 116.67 125.47 3hrx s ASP 62 Ca 0.81 0.96 0.38 0.00 2.13 0.00 0.00 52.55 56.82 3hrx s ASP 62 Cb -0.89 -2.54 1.85 0.00 -1.45 0.00 0.00 42.92 39.88 3hrx s ASP 62 CO 0.47 -1.08 2.17 -0.07 0.13 0.00 0.00 175.17 176.79 3hrx h LEU 63 N 10.81 0.00 -0.58 -1.34 3.38 -1.90 -2.55 115.31 123.13 3hrx h LEU 63 Ca -0.24 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 3hrx h LEU 63 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3hrx h LEU 63 CO 1.06 0.02 -0.56 0.71 0.09 0.00 0.00 178.44 179.76 3hrx h THR 64 N 0.00 1.16 -0.62 0.22 1.35 -1.94 -3.11 112.91 109.98 3hrx h THR 64 Ca -0.00 -2.11 -0.06 0.00 -0.55 0.00 0.00 66.41 63.69 3hrx h THR 64 Cb 0.26 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.88 3hrx h THR 64 CO 0.00 0.55 0.13 -0.08 -0.25 0.00 0.00 175.52 175.87 3hrx h GLU 65 N 0.00 0.98 -0.43 4.72 4.81 -1.84 -2.89 114.58 119.94 3hrx h GLU 65 Ca -0.01 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 58.88 3hrx h GLU 65 Cb 1.17 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3hrx h GLU 65 CO 0.07 0.89 -0.20 0.74 -0.73 0.00 0.00 179.01 179.77 3hrx h PHE 66 N 0.93 1.03 0.00 0.92 0.05 -1.65 -3.47 116.94 114.75 3hrx h PHE 66 Ca 0.20 -0.26 0.00 0.00 3.82 0.00 0.00 57.97 61.73 3hrx h PHE 66 Cb 0.36 -0.24 0.00 0.00 2.00 0.00 0.00 35.95 38.07 3hrx h PHE 66 CO 0.02 1.04 0.00 0.41 -0.18 0.00 0.00 178.31 179.61 3hrx n GLY 67 N -0.08 1.76 0.00 -1.45 0.00 -1.09 -3.49 105.19 100.84 3hrx n GLY 67 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 6.32 0.00 -3.83 1.61 8.00 -1.26 -4.98 116.55 122.40 3hrx n ASP 68 Ca 0.00 -0.61 -0.30 0.00 0.71 0.00 0.00 54.79 54.59 3hrx n ASP 68 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 3hrx n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hrx s ARG 69 N 0.00 -1.74 -0.09 -1.24 1.04 -1.23 -4.89 118.95 110.80 3hrx s ARG 69 Ca 0.00 0.17 -0.29 0.00 -1.04 0.00 0.00 55.73 54.57 3hrx s ARG 69 Cb 0.00 -1.51 -0.06 0.00 -2.04 0.00 0.00 34.95 31.33 3hrx s ARG 69 CO 0.00 -4.10 1.92 -1.59 -0.04 0.00 0.00 175.30 171.49 3hrx s LYS 70 N -5.12 3.82 -0.01 3.89 0.00 -1.26 -4.94 119.74 116.12 3hrx s LYS 70 Ca 0.69 2.22 -0.30 0.00 0.00 0.00 0.00 55.97 58.58 3hrx s LYS 70 Cb -0.14 -4.17 -0.05 0.00 0.00 0.00 0.00 37.83 33.47 3hrx s LYS 70 CO 0.58 -1.30 1.41 -2.14 0.00 0.00 0.00 175.35 173.91 3hrx s PRO 71 N 4.92 4.27 -0.52 1.78 0.02 -1.26 -4.96 135.00 139.26 3hrx s PRO 71 Ca 0.86 1.97 0.07 0.00 0.02 0.00 0.00 61.00 63.92 3hrx s PRO 71 Cb -0.35 -3.60 0.27 0.00 0.02 0.00 0.00 34.50 30.84 3hrx s PRO 71 CO 0.36 -0.60 0.70 -3.47 -0.33 0.00 0.00 177.00 173.66 3hrx n ASP 72 N 5.52 2.37 -0.29 2.53 -0.08 -1.26 -4.96 116.55 120.38 3hrx n ASP 72 Ca 0.13 -3.19 0.06 0.00 -1.51 0.00 0.00 54.79 50.29 3hrx n ASP 72 Cb 0.44 -0.64 0.28 0.00 2.34 0.00 0.00 41.12 43.54 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 3.80 0.99 -0.77 -0.67 0.05 -1.99 -2.15 116.97 116.23 3hrx h TYR 73 Ca 0.14 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.95 3hrx h TYR 73 Cb 0.74 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.13 3hrx h TYR 73 CO 0.59 0.47 0.51 1.49 -1.05 0.00 0.00 178.16 180.17 3hrx h GLU 74 N 0.93 1.02 -0.47 4.88 4.81 -1.99 0.22 114.58 123.97 3hrx h GLU 74 Ca 0.41 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 3hrx h GLU 74 Cb 0.36 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3hrx h GLU 74 CO -0.17 0.67 -0.09 0.00 -0.73 0.00 0.00 179.01 178.69 3hrx h ALA 75 N 1.28 0.65 0.01 2.92 0.00 -1.87 -0.13 119.26 122.11 3hrx h ALA 75 Ca 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hrx h ALA 75 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3hrx h ALA 75 CO -0.06 0.53 -0.00 1.25 0.00 0.00 0.00 179.25 180.97 3hrx h HIS 76 N 0.74 -0.01 -0.56 0.00 -0.00 -0.85 -2.32 115.15 112.16 3hrx h HIS 76 Ca 0.12 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.39 3hrx h HIS 76 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 3hrx h HIS 76 CO 0.05 0.15 -0.05 -0.07 -0.00 0.00 0.00 177.93 178.00 3hrx h LEU 77 N -0.16 1.02 -1.62 0.26 3.38 -0.56 -1.77 115.31 115.86 3hrx h LEU 77 Ca -0.00 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.70 3hrx h LEU 77 Cb 0.16 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3hrx h LEU 77 CO 0.00 1.10 0.34 0.03 0.09 0.00 0.00 178.44 180.00 3hrx h ARG 78 N 0.91 0.46 0.20 1.13 3.08 -0.95 0.46 114.38 119.67 3hrx h ARG 78 Ca 0.15 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.86 3hrx h ARG 78 Cb 0.61 -0.10 0.02 0.00 0.08 0.00 0.00 29.97 30.58 3hrx h ARG 78 CO 0.04 0.30 -1.42 -0.09 -1.07 0.00 0.00 179.97 177.73 3hrx h ARG 79 N 0.47 0.43 -0.01 0.04 2.43 -1.08 -3.37 114.38 113.29 3hrx h ARG 79 Ca 0.22 -0.74 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3hrx h ARG 79 Cb 0.27 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3hrx h ARG 79 CO -0.06 1.35 -0.55 0.66 -1.51 0.00 0.00 179.97 179.86 3hrx n TYR 80 N -3.64 0.00 0.20 2.20 4.02 -0.69 -4.25 117.16 115.00 3hrx n TYR 80 Ca -0.14 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.86 3hrx n TYR 80 Cb 1.08 0.00 0.59 0.00 -0.02 0.00 0.00 39.34 40.99 3hrx n TYR 80 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 3hrx h ASN 81 N 2.11 0.00 0.23 7.72 -0.26 -0.25 0.11 115.58 125.24 3hrx h ASN 81 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 3hrx h ASN 81 Cb 0.72 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.98 3hrx h ASN 81 CO 0.00 0.00 -0.07 0.08 -1.06 0.00 0.00 177.43 176.38 3hrx h ARG 82 N 0.00 0.00 -0.34 0.81 0.11 -1.82 -1.20 114.38 111.94 3hrx h ARG 82 Ca 0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 3hrx h ARG 82 Cb 0.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 3hrx h ARG 82 CO 0.00 0.07 0.02 0.28 0.10 0.00 0.00 179.97 180.44 3hrx h VAL 83 N 0.00 1.25 -0.13 0.08 2.07 -1.11 -1.11 116.25 117.30 3hrx h VAL 83 Ca -0.00 -0.93 -0.15 0.00 0.82 0.00 0.00 66.70 66.44 3hrx h VAL 83 Cb 0.21 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3hrx h VAL 83 CO 0.01 0.31 -0.58 0.58 0.02 0.00 0.00 177.57 177.91 3hrx h VAL 84 N 0.40 1.35 -0.56 2.57 2.07 -1.51 -0.79 116.25 119.78 3hrx h VAL 84 Ca 0.10 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 3hrx h VAL 84 Cb 0.42 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3hrx h VAL 84 CO 0.01 0.57 0.35 -0.33 0.02 0.00 0.00 177.57 178.19 3hrx h GLU 85 N 0.31 0.76 -0.24 1.57 4.39 -1.10 -0.30 114.58 119.97 3hrx h GLU 85 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3hrx h GLU 85 Cb 1.10 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 3hrx h GLU 85 CO 0.10 0.54 0.06 0.00 -1.16 0.00 0.00 179.01 178.54 3hrx h ALA 86 N 1.18 0.32 0.14 3.43 0.00 -0.98 -1.64 119.26 121.71 3hrx h ALA 86 Ca 0.20 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hrx h ALA 86 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hrx h ALA 86 CO -0.04 -0.03 -0.20 -0.07 0.00 0.00 0.00 179.25 178.92 3hrx h LEU 87 N 0.21 -0.53 -1.66 0.00 3.38 -0.87 -2.37 115.31 113.47 3hrx h LEU 87 Ca 0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hrx h LEU 87 Cb 0.28 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hrx h LEU 87 CO 0.00 -0.28 0.07 0.77 0.09 0.00 0.00 178.44 179.08 3hrx h SER 88 N -0.39 0.25 -0.18 -0.43 4.64 -1.02 -2.85 113.55 113.57 3hrx h SER 88 Ca 0.02 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hrx h SER 88 Cb 0.39 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3hrx h SER 88 CO -0.08 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 3hrx n GLY 89 N -1.31 0.58 3.62 -0.77 0.00 -0.62 -4.92 105.19 101.77 3hrx n GLY 89 Ca 0.00 -0.50 -0.50 0.00 0.00 0.00 0.00 46.02 45.02 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 0.60 2.22 -2.68 0.99 4.77 -0.92 -4.84 117.00 117.15 3hrx n LEU 90 Ca 0.17 1.10 -0.36 0.00 -0.03 0.00 0.00 56.01 56.89 3hrx n LEU 90 Cb 0.40 -1.28 0.03 0.00 -2.33 0.00 0.00 43.42 40.25 3hrx n LEU 90 CO 0.14 -0.74 1.52 -0.62 -1.33 0.00 0.00 177.39 176.36 3hrx n GLU 91 N 3.01 2.63 -3.56 3.23 1.02 -1.26 -4.82 120.64 120.90 3hrx n GLU 91 Ca 0.18 -3.19 -0.10 0.00 -0.02 0.00 0.00 57.16 54.03 3hrx n GLU 91 Cb 0.22 -2.22 -0.04 0.00 -0.02 0.00 0.00 31.44 29.38 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 -3.54 0.66 0.43 3.49 -2.85 -1.26 -4.58 119.74 112.09 3hrx s LYS 92 Ca 0.55 0.05 -0.25 0.00 -1.00 0.00 0.00 55.97 55.32 3hrx s LYS 92 Cb 0.44 0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 36.44 3hrx s LYS 92 CO -0.28 -0.23 1.23 -1.25 0.10 0.00 0.00 175.35 174.92 3hrx s PRO 93 N -1.59 3.86 -0.14 1.78 0.04 -1.26 -4.86 135.00 132.82 3hrx s PRO 93 Ca -0.00 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.03 3hrx s PRO 93 Cb -0.01 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 31.95 3hrx s PRO 93 CO -0.00 -0.52 -0.21 -1.17 0.04 0.00 0.00 177.00 175.13 3hrx s LEU 94 N -2.70 2.07 -0.11 -3.56 2.96 -1.26 -1.17 118.68 114.92 3hrx s LEU 94 Ca 0.60 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3hrx s LEU 94 Cb -0.34 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 3hrx s LEU 94 CO 0.42 0.07 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.82 3hrx s VAL 95 N 0.86 4.20 -0.07 1.68 1.01 0.58 -0.24 120.40 128.41 3hrx s VAL 95 Ca -0.06 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3hrx s VAL 95 Cb -0.15 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 3hrx s VAL 95 CO -0.02 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 3hrx s VAL 96 N -0.50 2.54 -0.32 2.92 1.01 -0.49 -0.45 120.40 125.11 3hrx s VAL 96 Ca 0.08 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3hrx s VAL 96 Cb -0.12 -1.98 0.09 0.00 0.00 0.00 0.00 36.38 34.37 3hrx s VAL 96 CO 0.02 0.56 0.01 0.00 0.00 0.00 0.00 175.10 175.70 3hrx s ALA 97 N -0.17 2.75 -0.66 5.51 0.00 -0.02 -0.74 121.76 128.42 3hrx s ALA 97 Ca -0.02 -2.30 -0.24 0.00 0.00 0.00 0.00 51.96 49.40 3hrx s ALA 97 Cb -0.14 -1.86 0.06 0.00 0.00 0.00 0.00 23.12 21.18 3hrx s ALA 97 CO 0.03 -1.56 1.05 0.08 0.00 0.00 0.00 175.76 175.36 3hrx s VAL 98 N 0.99 4.17 -0.88 0.00 1.01 0.18 -4.22 120.40 121.64 3hrx s VAL 98 Ca 0.06 -0.05 0.27 0.00 0.00 0.00 0.00 61.98 62.25 3hrx s VAL 98 Cb -0.19 -4.73 0.18 0.00 0.00 0.00 0.00 36.38 31.64 3hrx s VAL 98 CO -0.08 -1.52 1.71 -0.46 0.00 0.00 0.00 175.10 174.75 3hrx n ASN 99 N 8.13 0.40 0.00 3.32 6.94 -1.26 -1.32 115.26 131.48 3hrx n ASN 99 Ca -0.01 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.88 3hrx n ASN 99 Cb 0.47 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 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 2.68 3.75 4.83 0.00 -1.25 -4.63 105.19 111.99 3hrx n GLY 100 Ca 0.06 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 0.15 2.07 -0.25 1.61 1.01 -1.26 -2.72 120.40 121.01 3hrx s VAL 101 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3hrx s VAL 101 Cb 0.00 -3.04 0.08 0.00 0.00 0.00 0.00 36.38 33.42 3hrx s VAL 101 CO 0.00 0.01 0.07 0.00 0.00 0.00 0.00 175.10 175.18 3hrx s ALA 102 N 0.10 1.13 0.07 5.51 0.00 -0.21 -1.16 121.76 127.20 3hrx s ALA 102 Ca 0.64 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.57 3hrx s ALA 102 Cb -0.48 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 3hrx s ALA 102 CO 0.46 -1.40 -0.12 0.00 0.00 0.00 0.00 175.76 174.71 3hrx s ALA 103 N 1.81 1.02 0.00 0.00 0.00 -0.47 -1.87 121.76 122.25 3hrx s ALA 103 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3hrx s ALA 103 Cb -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3hrx s ALA 103 CO -0.18 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3hrx n GLY 104 N 1.16 3.23 0.32 0.00 0.00 -0.57 -0.53 105.19 108.80 3hrx n GLY 104 Ca -0.20 -0.15 0.17 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 -0.81 1.54 -0.68 4.61 0.00 -1.87 0.17 119.26 122.20 3hrx h ALA 105 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hrx h ALA 105 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hrx h ALA 105 CO 0.00 -0.10 0.12 0.78 0.00 0.00 0.00 179.25 180.05 3hrx h GLY 106 N 0.00 1.22 1.06 0.00 0.00 -0.99 -0.18 103.07 104.18 3hrx h GLY 106 Ca 0.03 -0.81 -0.14 0.00 0.00 0.00 0.00 47.33 46.41 3hrx h GLY 106 CO -0.00 0.75 -0.31 1.98 0.00 0.00 0.00 176.54 178.96 3hrx h MET 107 N 1.06 0.86 -0.11 4.80 4.05 -0.61 -2.38 114.93 122.59 3hrx h MET 107 Ca 0.21 -0.43 0.04 0.00 -0.28 0.00 0.00 59.70 59.23 3hrx h MET 107 Cb 0.44 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.21 3hrx h MET 107 CO 0.01 1.07 -0.13 0.77 0.23 0.00 0.00 176.91 178.87 3hrx h SER 108 N 0.66 -0.39 -0.60 1.39 0.02 -0.78 -2.01 113.55 111.83 3hrx h SER 108 Ca 0.06 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3hrx h SER 108 Cb 0.89 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 3hrx h SER 108 CO 0.08 -0.17 0.37 -0.07 -1.14 0.00 0.00 176.83 175.90 3hrx h LEU 109 N -0.16 0.71 -1.32 5.07 3.38 -1.01 -2.79 115.31 119.19 3hrx h LEU 109 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hrx h LEU 109 Cb 0.28 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3hrx h LEU 109 CO -0.20 0.55 0.42 0.00 0.09 0.00 0.00 178.44 179.30 3hrx h ALA 110 N 1.19 1.50 0.00 1.53 0.00 -1.11 -2.19 119.26 120.18 3hrx h ALA 110 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hrx h ALA 110 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3hrx h ALA 110 CO -0.04 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.94 3hrx n LEU 111 N -4.42 0.00 -0.00 0.00 4.77 -0.78 -2.67 117.00 113.89 3hrx n LEU 111 Ca 0.07 0.35 0.14 0.00 -0.03 0.00 0.00 56.01 56.54 3hrx n LEU 111 Cb 0.05 -0.35 0.66 0.00 -2.33 0.00 0.00 43.42 41.45 3hrx n LEU 111 CO 0.36 -0.12 0.97 0.79 -1.33 0.00 0.00 177.39 178.07 3hrx n TRP 112 N -1.35 0.00 -2.05 -1.77 7.02 -0.82 -4.84 117.44 113.63 3hrx n TRP 112 Ca 0.08 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.18 3hrx n TRP 112 Cb 0.18 -0.42 0.01 0.00 -2.42 0.00 0.00 31.31 28.66 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 -2.85 2.84 0.08 6.99 0.00 -1.09 -4.91 107.32 108.38 3hrx s GLY 113 Ca 0.19 1.13 -0.13 0.00 0.00 0.00 0.00 44.72 45.91 3hrx s GLY 113 CO 0.51 1.63 1.23 -0.55 0.00 0.00 0.00 173.10 175.91 3hrx h ASP 114 N 1.92 0.92 -3.35 1.64 3.32 -0.94 -3.42 116.42 116.50 3hrx h ASP 114 Ca -0.50 -0.70 -0.60 0.00 0.02 0.00 0.00 57.03 55.26 3hrx h ASP 114 Cb 1.27 -0.28 -0.34 0.00 0.22 0.00 0.00 39.33 40.20 3hrx h ASP 114 CO 0.59 1.50 -0.85 -0.76 -1.72 0.00 0.00 179.24 178.01 3hrx s LEU 115 N -8.20 1.85 -0.07 1.55 2.01 -1.11 -5.05 118.68 109.65 3hrx s LEU 115 Ca -0.10 -0.44 0.03 0.00 0.01 0.00 0.00 54.13 53.64 3hrx s LEU 115 Cb 0.07 -1.13 0.00 0.00 0.01 0.00 0.00 46.19 45.15 3hrx s LEU 115 CO 0.92 0.08 -0.18 -0.13 1.01 0.00 0.00 176.35 178.05 3hrx s ARG 116 N 0.62 2.20 0.09 1.70 0.52 -1.26 -1.40 118.95 121.42 3hrx s ARG 116 Ca -0.14 -0.64 0.10 0.00 -0.52 0.00 0.00 55.73 54.53 3hrx s ARG 116 Cb -0.16 -1.77 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 3hrx s ARG 116 CO 0.04 0.15 -0.26 -0.51 0.02 0.00 0.00 175.30 174.74 3hrx s LEU 117 N 0.37 2.25 0.06 2.53 1.02 0.08 0.14 118.68 125.13 3hrx s LEU 117 Ca -0.13 -0.67 0.06 0.00 0.02 0.00 0.00 54.13 53.41 3hrx s LEU 117 Cb -0.15 -1.22 -0.03 0.00 0.02 0.00 0.00 46.19 44.81 3hrx s LEU 117 CO 0.05 0.21 -0.17 0.00 0.02 0.00 0.00 176.35 176.46 3hrx s ALA 118 N -0.94 1.45 0.28 4.21 0.00 -0.05 -0.65 121.76 126.05 3hrx s ALA 118 Ca 0.12 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 3hrx s ALA 118 Cb -0.10 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 3hrx s ALA 118 CO 0.04 0.29 0.63 0.00 0.00 0.00 0.00 175.76 176.71 3hrx s ALA 119 N -0.96 3.48 0.30 0.00 0.00 -0.43 -1.24 121.76 122.90 3hrx s ALA 119 Ca 0.03 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 3hrx s ALA 119 Cb -0.09 -2.55 -0.12 0.00 0.00 0.00 0.00 23.12 20.36 3hrx s ALA 119 CO 0.02 0.39 1.52 0.28 0.00 0.00 0.00 175.76 177.97 3hrx n VAL 120 N -0.38 1.23 0.00 0.00 0.31 -0.15 -0.95 118.33 118.38 3hrx n VAL 120 Ca 0.01 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3hrx n VAL 120 Cb 0.53 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 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 1.80 3.25 3.76 2.92 0.00 -1.26 -4.39 105.19 111.27 3hrx n GLY 121 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.92 2.14 0.07 4.61 0.00 -0.13 -4.77 121.76 120.76 3hrx s ALA 122 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 3hrx s ALA 122 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.85 3hrx s ALA 122 CO 0.00 -1.89 0.26 -1.54 0.00 0.00 0.00 175.76 172.60 3hrx s SER 123 N -3.35 -0.04 -0.12 0.00 1.04 -1.10 -2.03 113.70 108.10 3hrx s SER 123 Ca 0.62 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.68 3hrx s SER 123 Cb -0.18 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.32 3hrx s SER 123 CO 0.56 -0.67 -0.12 -0.36 0.98 0.00 0.00 173.24 173.64 3hrx s PHE 124 N -3.08 1.80 -0.11 5.02 0.08 -0.00 -1.05 117.98 120.64 3hrx s PHE 124 Ca -0.01 -0.91 -0.01 0.00 0.12 0.00 0.00 56.93 56.12 3hrx s PHE 124 Cb 0.01 -1.37 0.03 0.00 -0.57 0.00 0.00 43.02 41.12 3hrx s PHE 124 CO -0.07 -0.53 -0.01 0.99 -0.10 0.00 0.00 175.22 175.50 3hrx s THR 125 N 1.37 0.59 0.28 0.64 2.01 -0.78 -0.66 115.64 119.09 3hrx s THR 125 Ca 0.00 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 3hrx s THR 125 Cb -0.13 -0.78 0.28 0.00 0.01 0.00 0.00 72.50 71.88 3hrx s THR 125 CO -0.06 0.20 1.89 0.71 -0.69 0.00 0.00 174.62 176.66 3hrx h THR 126 N 6.33 1.06 0.00 -0.82 1.35 -1.81 -1.51 112.91 117.51 3hrx h THR 126 Ca -0.22 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3hrx h THR 126 Cb 1.12 -0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 3hrx h THR 126 CO 0.31 0.20 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 3hrx n ALA 127 N -2.37 0.00 -0.28 6.62 0.00 -1.26 -2.50 120.51 120.72 3hrx n ALA 127 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.64 3hrx n ALA 127 Cb 0.21 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.28 0.00 0.00 -1.00 -1.86 0.62 116.94 114.41 3hrx h PHE 128 Ca 0.00 0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 3hrx h PHE 128 Cb 0.00 0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.81 3hrx h PHE 128 CO 0.00 -0.33 -0.05 -0.24 -1.61 0.00 0.00 178.31 176.08 3hrx h VAL 129 N 0.03 0.65 0.00 -0.55 3.04 -1.78 -1.19 116.25 116.45 3hrx h VAL 129 Ca 0.42 -0.22 -0.01 0.00 -1.01 0.00 0.00 66.70 65.88 3hrx h VAL 129 Cb 0.70 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.11 3hrx h VAL 129 CO -0.80 0.05 -0.05 0.03 -1.01 0.00 0.00 177.57 175.80 3hrx h ARG 130 N 0.00 0.00 -0.12 4.17 3.08 -1.18 -1.70 114.38 118.63 3hrx h ARG 130 Ca -0.00 0.00 -0.03 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 30.16 3hrx h ARG 130 CO 0.01 0.05 -0.14 0.44 -1.07 0.00 0.00 179.97 179.25 3hrx n ILE 131 N -3.61 2.17 -1.83 2.04 -5.35 -0.88 -4.97 119.36 106.92 3hrx n ILE 131 Ca -0.02 -2.53 -0.10 0.00 -0.27 0.00 0.00 62.75 59.83 3hrx n ILE 131 Cb 0.15 -0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 37.77 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 -1.12 0.41 3.79 3.28 0.00 -0.64 -5.04 105.19 105.87 3hrx n GLY 132 Ca 0.21 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.54 3.11 0.33 0.99 1.43 -0.50 -4.97 118.68 116.52 3hrx s LEU 133 Ca 0.00 -1.04 0.07 0.00 -1.03 0.00 0.00 54.13 52.13 3hrx s LEU 133 Cb 0.00 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3hrx s LEU 133 CO 0.00 -0.64 0.29 0.68 0.23 0.00 0.00 176.35 176.91 3hrx s VAL 134 N -2.60 3.62 0.23 -1.59 -7.23 -1.26 -3.06 120.40 108.52 3hrx s VAL 134 Ca 0.41 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 3hrx s VAL 134 Cb 0.02 -3.21 -0.09 0.00 0.56 0.00 0.00 36.38 33.65 3hrx s VAL 134 CO 0.23 -0.19 1.36 -2.16 -0.31 0.00 0.00 175.10 174.03 3hrx s PRO 135 N -3.99 4.34 0.07 4.82 0.04 -1.26 -4.89 135.00 134.13 3hrx s PRO 135 Ca 0.40 2.17 0.01 0.00 0.04 0.00 0.00 61.00 63.62 3hrx s PRO 135 Cb -0.06 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 3hrx s PRO 135 CO 0.27 -0.31 0.03 -0.40 0.04 0.00 0.00 177.00 176.63 3hrx n ASP 136 N 2.37 0.70 -2.65 6.66 5.68 -1.26 -4.45 116.55 123.60 3hrx n ASP 136 Ca 0.06 -1.39 -0.22 0.00 -0.50 0.00 0.00 54.79 52.74 3hrx n ASP 136 Cb 0.42 0.21 0.01 0.00 -1.14 0.00 0.00 41.12 40.62 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 -2.17 -6.04 0.00 -1.12 7.64 -1.26 -2.13 113.62 108.54 3hrx n SER 137 Ca -0.00 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.75 3hrx n SER 137 Cb 0.11 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.34 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 -1.23 0.79 0.24 0.23 0.00 -1.26 -4.67 105.19 99.29 3hrx n GLY 138 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.37 -1.13 0.99 5.85 -1.72 0.02 115.31 119.69 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 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3hrx h LEU 139 CO 0.00 0.54 0.00 0.77 -0.34 0.00 0.00 178.44 179.41 3hrx h SER 140 N 0.35 0.00 0.00 1.25 4.64 -1.82 -1.08 113.55 116.89 3hrx h SER 140 Ca 0.07 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 3hrx h SER 140 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3hrx h SER 140 CO 0.03 0.00 -0.95 0.15 -0.87 0.00 0.00 176.83 175.19 3hrx h PHE 141 N 0.00 0.00 -0.16 4.77 3.04 -1.75 -3.42 116.94 119.43 3hrx h PHE 141 Ca 0.00 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 3hrx h PHE 141 Cb 0.54 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.05 3hrx h PHE 141 CO 0.00 1.18 -0.22 -0.07 -2.02 0.00 0.00 178.31 177.19 3hrx h LEU 142 N -1.00 0.47 -0.13 0.59 3.38 -0.99 -3.35 115.31 114.28 3hrx h LEU 142 Ca -0.24 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.26 3hrx h LEU 142 Cb 1.12 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 3hrx h LEU 142 CO -0.15 0.89 -0.23 0.25 0.09 0.00 0.00 178.44 179.29 3hrx h LEU 143 N 0.06 -0.72 -1.21 1.67 5.85 -1.43 0.50 115.31 120.02 3hrx h LEU 143 Ca 0.02 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3hrx h LEU 143 Cb 0.78 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 3hrx h LEU 143 CO 0.05 -0.28 0.54 -0.65 -0.34 0.00 0.00 178.44 177.76 3hrx h PRO 144 N -0.30 0.99 -0.45 5.25 0.11 -1.80 -1.11 132.00 134.70 3hrx h PRO 144 Ca 0.10 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 3hrx h PRO 144 Cb 0.44 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3hrx h PRO 144 CO -0.30 0.66 -0.19 0.00 -0.21 0.00 0.00 178.00 177.96 3hrx h ARG 145 N 1.02 0.93 -0.03 1.05 3.08 -1.51 0.19 114.38 119.11 3hrx h ARG 145 Ca 0.33 -0.39 -0.24 0.00 0.07 0.00 0.00 59.98 59.75 3hrx h ARG 145 Cb 0.04 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3hrx h ARG 145 CO -0.10 1.05 -0.94 -0.07 -1.07 0.00 0.00 179.97 178.84 3hrx h LEU 146 N 0.77 0.72 -0.95 3.04 3.38 -0.45 -3.38 115.31 118.44 3hrx h LEU 146 Ca 0.11 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3hrx h LEU 146 Cb 0.75 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3hrx h LEU 146 CO 0.06 1.35 0.00 1.33 0.09 0.00 0.00 178.44 181.27 3hrx n VAL 147 N -3.82 0.01 0.00 1.22 0.24 -0.46 -4.69 118.33 110.83 3hrx n VAL 147 Ca -0.08 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 3hrx n VAL 147 Cb 0.83 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 34.27 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 -0.01 0.30 0.32 7.63 0.00 0.65 -4.35 105.19 109.73 3hrx n GLY 148 Ca 0.00 -1.64 -0.04 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 0.91 -0.31 0.99 5.85 -1.89 -1.88 115.31 118.98 3hrx h LEU 149 Ca 0.00 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3hrx h LEU 149 Cb 0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3hrx h LEU 149 CO 0.00 0.85 0.17 0.00 -0.34 0.00 0.00 178.44 179.13 3hrx h ALA 150 N 1.27 0.38 -0.18 1.25 0.00 -1.94 -0.59 119.26 119.45 3hrx h ALA 150 Ca 0.21 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 3hrx h ALA 150 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hrx h ALA 150 CO -0.01 -0.19 -0.58 0.87 0.00 0.00 0.00 179.25 179.34 3hrx h LYS 151 N 0.36 0.57 -0.89 0.00 1.79 -1.74 -3.03 116.57 113.64 3hrx h LYS 151 Ca 0.12 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3hrx h LYS 151 Cb 0.00 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 3hrx h LYS 151 CO -0.06 0.99 0.57 0.00 -1.08 0.00 0.00 179.45 179.87 3hrx h ALA 152 N 0.93 1.13 -0.17 3.86 0.00 -1.00 -0.30 119.26 123.71 3hrx h ALA 152 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hrx h ALA 152 Cb 1.14 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hrx h ALA 152 CO 0.11 0.56 0.06 1.96 0.00 0.00 0.00 179.25 181.93 3hrx h GLN 153 N 1.21 0.13 -0.14 0.00 4.20 -1.04 -0.29 115.11 119.18 3hrx h GLN 153 Ca 0.32 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 3hrx h GLN 153 Cb -0.10 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3hrx h GLN 153 CO -0.07 0.09 0.05 1.49 -0.67 0.00 0.00 178.83 179.72 3hrx h GLU 154 N 0.14 0.22 -0.74 1.46 4.81 -1.36 -1.19 114.58 117.91 3hrx h GLU 154 Ca 0.07 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3hrx h GLU 154 Cb 0.04 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3hrx h GLU 154 CO -0.07 0.34 0.28 -0.07 -0.73 0.00 0.00 179.01 178.75 3hrx h LEU 155 N 0.05 1.05 -0.04 1.64 3.38 -0.93 -1.31 115.31 119.14 3hrx h LEU 155 Ca 0.05 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 3hrx h LEU 155 Cb 0.21 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hrx h LEU 155 CO -0.00 0.95 -0.42 -0.07 0.09 0.00 0.00 178.44 178.99 3hrx h LEU 156 N 1.08 0.45 -0.28 1.67 3.38 -1.03 -1.53 115.31 119.06 3hrx h LEU 156 Ca 0.25 -0.70 -0.20 0.00 0.09 0.00 0.00 57.88 57.32 3hrx h LEU 156 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hrx h LEU 156 CO -0.02 1.08 -0.88 -0.07 0.09 0.00 0.00 178.44 178.65 3hrx h LEU 157 N -0.15 0.23 0.00 1.67 3.38 -1.23 -3.34 115.31 115.87 3hrx h LEU 157 Ca -0.04 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hrx h LEU 157 Cb 1.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3hrx h LEU 157 CO 0.09 1.00 -1.30 0.18 0.09 0.00 0.00 178.44 178.49 3hrx n LEU 158 N -3.65 0.44 -4.01 1.67 4.77 -0.50 -5.01 117.00 110.72 3hrx n LEU 158 Ca -0.03 -0.26 -0.33 0.00 -0.03 0.00 0.00 56.01 55.35 3hrx n LEU 158 Cb 0.81 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 3hrx n LEU 158 CO 0.48 0.11 -0.24 -0.24 -1.33 0.00 0.00 177.39 176.16 3hrx n SER 159 N -1.75 -1.98 -4.83 -1.43 2.88 -0.57 -4.95 113.62 100.98 3hrx n SER 159 Ca 0.00 -1.14 -0.31 0.00 -1.33 0.00 0.00 58.87 56.09 3hrx n SER 159 Cb 0.37 -2.45 0.04 0.00 -0.75 0.00 0.00 64.21 61.42 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 3.02 -0.41 -1.46 0.04 -1.26 -4.74 135.00 123.36 3hrx s PRO 160 Ca 0.22 0.90 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 3hrx s PRO 160 Cb -0.10 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3hrx s PRO 160 CO 0.93 -1.03 0.63 0.50 0.04 0.00 0.00 177.00 178.07 3hrx s ARG 161 N -5.08 3.42 -0.07 4.56 3.52 -1.26 -4.44 118.95 119.61 3hrx s ARG 161 Ca 0.58 -0.23 -0.18 0.00 -0.13 0.00 0.00 55.73 55.76 3hrx s ARG 161 Cb -0.13 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.31 3hrx s ARG 161 CO 0.55 -0.90 0.51 -0.51 -0.81 0.00 0.00 175.30 174.13 3hrx s LEU 162 N 2.75 4.35 0.81 -0.88 1.43 0.17 -4.91 118.68 122.39 3hrx s LEU 162 Ca 0.23 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.16 3hrx s LEU 162 Cb -0.14 -2.75 0.07 0.00 0.03 0.00 0.00 46.19 43.40 3hrx s LEU 162 CO 0.17 0.07 1.10 -0.94 0.23 0.00 0.00 176.35 176.99 3hrx s SER 163 N 0.14 4.44 0.21 2.29 1.04 -1.26 -0.82 113.70 119.74 3hrx s SER 163 Ca 0.27 1.25 -0.10 0.00 0.48 0.00 0.00 55.95 57.85 3hrx s SER 163 Cb -0.16 -1.96 0.17 0.00 0.10 0.00 0.00 66.02 64.16 3hrx s SER 163 CO 0.13 -2.00 1.88 0.00 0.98 0.00 0.00 173.24 174.23 3hrx h ALA 164 N -1.11 1.00 -0.73 5.32 0.00 -1.72 -0.72 119.26 121.30 3hrx h ALA 164 Ca -0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3hrx h ALA 164 Cb 1.28 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3hrx h ALA 164 CO 0.60 0.42 0.41 0.93 0.00 0.00 0.00 179.25 181.61 3hrx h GLU 165 N 1.07 1.01 -0.41 0.00 3.07 -1.93 -0.90 114.58 116.49 3hrx h GLU 165 Ca 0.29 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.95 3hrx h GLU 165 Cb -0.11 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.59 3hrx h GLU 165 CO -0.06 0.75 -0.05 0.93 -1.40 0.00 0.00 179.01 179.18 3hrx h GLU 166 N 1.00 0.76 -0.86 2.33 5.08 -1.82 -2.30 114.58 118.77 3hrx h GLU 166 Ca 0.26 -0.27 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3hrx h GLU 166 Cb 0.03 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3hrx h GLU 166 CO -0.04 0.87 0.56 0.00 -1.00 0.00 0.00 179.01 179.40 3hrx h ALA 167 N 0.87 1.53 -0.32 3.43 0.00 -0.78 -0.97 119.26 123.02 3hrx h ALA 167 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hrx h ALA 167 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hrx h ALA 167 CO 0.03 0.35 0.06 1.25 0.00 0.00 0.00 179.25 180.95 3hrx h LEU 168 N 0.99 0.50 -1.30 0.00 5.85 -0.90 0.78 115.31 121.24 3hrx h LEU 168 Ca 0.36 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3hrx h LEU 168 Cb 0.16 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3hrx h LEU 168 CO -0.12 0.62 0.21 0.00 -0.34 0.00 0.00 178.44 178.81 3hrx h ALA 169 N 0.90 1.45 0.00 1.25 0.00 -0.77 -2.83 119.26 119.26 3hrx h ALA 169 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hrx h ALA 169 Cb 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hrx h ALA 169 CO 0.00 0.43 -0.46 -0.07 0.00 0.00 0.00 179.25 179.15 3hrx h LEU 170 N 0.69 0.00 0.00 0.00 3.38 -1.03 -3.48 115.31 114.88 3hrx h LEU 170 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hrx h LEU 170 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hrx h LEU 170 CO -0.02 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3hrx n GLY 171 N 1.15 0.68 0.25 0.83 0.00 -0.43 -4.47 105.19 103.20 3hrx n GLY 171 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.13 -8.38 0.99 3.38 -1.17 -3.43 115.31 106.84 3hrx h LEU 172 Ca 0.00 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 3hrx h LEU 172 Cb 0.00 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 40.55 3hrx h LEU 172 CO 0.00 0.18 -0.71 0.68 0.09 0.00 0.00 178.44 178.68 3hrx s VAL 173 N -4.96 0.71 -0.14 1.22 -7.23 -1.16 -4.88 120.40 103.96 3hrx s VAL 173 Ca -0.05 -1.66 0.19 0.00 -1.81 0.00 0.00 61.98 58.65 3hrx s VAL 173 Cb 0.16 -1.34 -0.16 0.00 0.56 0.00 0.00 36.38 35.61 3hrx s VAL 173 CO 0.70 -0.68 0.72 1.41 -0.31 0.00 0.00 175.10 176.94 3hrx n HIS 174 N 0.47 0.68 -3.71 2.82 8.25 0.12 -4.42 115.22 119.44 3hrx n HIS 174 Ca -0.16 0.22 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 3hrx n HIS 174 Cb 0.59 -0.94 -0.08 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.09 0.78 -0.08 -0.41 0.52 -1.14 -5.04 118.95 110.48 3hrx s ARG 175 Ca -0.04 -0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 3hrx s ARG 175 Cb 0.10 0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.93 3hrx s ARG 175 CO 0.83 -0.23 -0.17 0.08 0.02 0.00 0.00 175.30 175.82 3hrx s VAL 176 N -1.56 1.56 0.09 3.52 1.01 -1.26 -0.87 120.40 122.89 3hrx s VAL 176 Ca -0.11 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3hrx s VAL 176 Cb -0.03 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3hrx s VAL 176 CO 0.04 0.45 -0.07 0.68 0.00 0.00 0.00 175.10 176.20 3hrx s VAL 177 N 0.56 0.66 0.35 2.92 -7.23 -0.37 -4.95 120.40 112.34 3hrx s VAL 177 Ca -0.16 -1.83 -0.26 0.00 -1.81 0.00 0.00 61.98 57.92 3hrx s VAL 177 Cb -0.17 -1.55 -0.12 0.00 0.56 0.00 0.00 36.38 35.10 3hrx s VAL 177 CO 0.05 -0.82 0.98 -2.65 -0.31 0.00 0.00 175.10 172.35 3hrx n PRO 178 N 0.14 1.32 -0.26 4.82 -0.02 -1.26 -0.98 135.00 138.75 3hrx n PRO 178 Ca -0.13 0.47 0.15 0.00 -2.02 0.00 0.00 63.50 61.97 3hrx n PRO 178 Cb 0.60 -1.92 0.43 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.73 1.97 0.00 3.55 0.00 -1.90 0.21 119.26 124.83 3hrx h ALA 179 Ca -0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hrx h ALA 179 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hrx h ALA 179 CO 0.58 -0.25 0.00 -0.85 0.00 0.00 0.00 179.25 178.74 3hrx n GLU 180 N -4.56 0.02 0.00 0.00 0.00 -1.26 -3.32 120.64 111.51 3hrx n GLU 180 Ca 0.19 0.13 0.02 0.00 0.00 0.00 0.00 57.16 57.49 3hrx n GLU 180 Cb 0.58 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.52 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 -1.49 2.44 0.03 3.44 5.02 -0.01 -4.80 118.16 122.80 3hrx n LYS 181 Ca 0.06 -0.40 -0.12 0.00 -2.02 0.00 0.00 58.31 55.82 3hrx n LYS 181 Cb 0.25 -0.89 -0.08 0.00 -0.02 0.00 0.00 35.03 34.29 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 0.43 -1.30 -1.18 -0.35 5.85 -1.35 0.12 115.31 117.54 3hrx h LEU 182 Ca 0.00 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3hrx h LEU 182 Cb 0.13 0.50 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3hrx h LEU 182 CO 0.00 -0.40 0.56 0.24 -0.34 0.00 0.00 178.44 178.50 3hrx h MET 183 N -0.51 1.05 -0.09 1.25 2.86 -1.87 0.48 114.93 118.09 3hrx h MET 183 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3hrx h MET 183 Cb 0.56 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 3hrx h MET 183 CO -0.29 0.69 0.06 1.49 1.06 0.00 0.00 176.91 179.92 3hrx h GLU 184 N 1.08 0.12 -0.28 1.72 4.81 -1.75 0.21 114.58 120.48 3hrx h GLU 184 Ca 0.33 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3hrx h GLU 184 Cb -0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3hrx h GLU 184 CO -0.09 0.10 -0.19 0.93 -0.73 0.00 0.00 179.01 179.03 3hrx h GLU 185 N 0.10 0.63 -0.75 1.92 4.39 -0.17 -2.16 114.58 118.55 3hrx h GLU 185 Ca 0.03 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 3hrx h GLU 185 Cb 0.01 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 3hrx h GLU 185 CO -0.01 0.88 0.40 0.00 -1.16 0.00 0.00 179.01 179.13 3hrx h ALA 186 N 0.73 0.96 -0.28 3.43 0.00 0.09 -1.52 119.26 122.68 3hrx h ALA 186 Ca 0.06 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3hrx h ALA 186 Cb 0.72 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hrx h ALA 186 CO 0.05 0.48 -0.42 1.25 0.00 0.00 0.00 179.25 180.61 3hrx h LEU 187 N 1.04 0.73 -0.67 0.00 5.85 -0.60 -1.37 115.31 120.29 3hrx h LEU 187 Ca 0.26 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3hrx h LEU 187 Cb 0.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3hrx h LEU 187 CO -0.04 1.06 0.37 -1.28 -0.34 0.00 0.00 178.44 178.21 3hrx h SER 188 N 0.55 0.84 -0.37 1.25 0.87 -1.04 0.67 113.55 116.32 3hrx h SER 188 Ca 0.04 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 3hrx h SER 188 Cb 0.96 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 3hrx h SER 188 CO 0.09 0.69 -0.04 0.25 -0.53 0.00 0.00 176.83 177.28 3hrx h LEU 189 N 0.92 0.68 -0.90 2.23 5.85 -1.16 -2.19 115.31 120.74 3hrx h LEU 189 Ca 0.24 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3hrx h LEU 189 Cb 0.03 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3hrx h LEU 189 CO -0.04 0.85 0.54 0.00 -0.34 0.00 0.00 178.44 179.45 3hrx h ALA 190 N 0.85 1.15 -0.37 1.25 0.00 -0.84 -1.12 119.26 120.17 3hrx h ALA 190 Ca 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3hrx h ALA 190 Cb 0.53 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hrx h ALA 190 CO 0.03 0.61 -0.18 0.87 0.00 0.00 0.00 179.25 180.58 3hrx h LYS 191 N 1.24 0.70 -0.37 0.00 1.57 -0.76 -0.20 116.57 118.75 3hrx h LYS 191 Ca 0.32 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3hrx h LYS 191 Cb -0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3hrx h LYS 191 CO -0.06 0.84 0.07 0.93 -0.57 0.00 0.00 179.45 180.65 3hrx h GLU 192 N 0.62 0.61 -0.27 3.15 5.08 -0.87 -2.56 114.58 120.34 3hrx h GLU 192 Ca 0.10 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3hrx h GLU 192 Cb 0.65 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3hrx h GLU 192 CO 0.05 0.66 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.62 3hrx h LEU 193 N 0.45 0.38 -0.27 1.33 3.38 -0.97 -1.12 115.31 118.49 3hrx h LEU 193 Ca 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hrx h LEU 193 Cb 0.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hrx h LEU 193 CO 0.01 0.47 0.00 0.00 0.09 0.00 0.00 178.44 179.01 3hrx n ALA 194 N -2.48 1.49 0.87 1.53 0.00 -0.11 -1.12 120.51 120.69 3hrx n ALA 194 Ca 0.01 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.55 3hrx n ALA 194 Cb 0.24 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.73 1.31 -2.24 0.00 1.13 -0.44 -4.75 117.38 110.67 3hrx n GLN 195 Ca 0.02 -0.70 -0.27 0.00 -1.94 0.00 0.00 57.00 54.11 3hrx n GLN 195 Cb 0.14 -1.38 0.17 0.00 0.11 0.00 0.00 30.24 29.28 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 -2.33 1.79 -1.15 1.08 0.00 -0.27 -4.12 107.32 102.31 3hrx s GLY 196 Ca 0.14 -1.58 -0.23 0.00 0.00 0.00 0.00 44.72 43.05 3hrx s GLY 196 CO 0.56 -0.83 1.92 2.56 0.00 0.00 0.00 173.10 177.30 3hrx s PRO 197 N -5.63 2.61 0.33 2.90 0.04 -1.26 -4.40 135.00 129.59 3hrx s PRO 197 Ca 0.73 -1.09 0.11 0.00 0.04 0.00 0.00 61.00 60.79 3hrx s PRO 197 Cb -0.03 -5.24 0.92 0.00 0.04 0.00 0.00 34.50 30.20 3hrx s PRO 197 CO 0.50 -3.76 1.73 1.15 0.04 0.00 0.00 177.00 176.66 3hrx h THR 198 N 6.31 0.53 -0.35 1.26 2.02 -1.86 0.05 112.91 120.86 3hrx h THR 198 Ca 0.21 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 67.07 3hrx h THR 198 Cb 0.94 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3hrx h THR 198 CO 1.24 0.10 -0.32 0.03 0.37 0.00 0.00 175.52 176.94 3hrx h ARG 199 N 0.55 0.77 -0.55 6.66 2.47 -1.87 -0.75 114.38 121.66 3hrx h ARG 199 Ca 0.64 -0.36 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 3hrx h ARG 199 Cb 1.28 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.56 3hrx h ARG 199 CO -0.45 0.98 0.25 0.00 0.56 0.00 0.00 179.97 181.31 3hrx h ALA 200 N 0.99 0.71 0.08 0.04 0.00 -1.43 -0.77 119.26 118.88 3hrx h ALA 200 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hrx h ALA 200 Cb 0.85 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hrx h ALA 200 CO 0.07 0.29 -0.04 1.88 0.00 0.00 0.00 179.25 181.46 3hrx h TYR 201 N 0.74 -0.10 -0.42 0.00 0.99 -1.12 -0.69 116.97 116.37 3hrx h TYR 201 Ca 0.19 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.97 3hrx h TYR 201 Cb 0.15 0.03 -0.05 0.00 1.00 0.00 0.00 36.73 37.86 3hrx h TYR 201 CO 0.00 -0.03 0.12 0.00 -0.00 0.00 0.00 178.16 178.25 3hrx h ALA 202 N 0.79 0.49 -0.06 3.88 0.00 -0.86 -0.68 119.26 122.81 3hrx h ALA 202 Ca -0.01 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3hrx h ALA 202 Cb 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3hrx h ALA 202 CO 0.02 -0.27 -0.63 -0.07 0.00 0.00 0.00 179.25 178.29 3hrx h LEU 203 N 0.27 0.26 -0.55 0.00 3.38 -1.08 -2.45 115.31 115.15 3hrx h LEU 203 Ca 0.20 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3hrx h LEU 203 Cb 0.22 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3hrx h LEU 203 CO -0.23 0.83 -0.00 0.74 0.09 0.00 0.00 178.44 179.86 3hrx h THR 204 N 0.17 1.26 -0.68 0.22 2.02 -0.72 -1.69 112.91 113.50 3hrx h THR 204 Ca -0.01 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 3hrx h THR 204 Cb 1.15 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 3hrx h THR 204 CO 0.10 0.40 0.33 0.11 0.37 0.00 0.00 175.52 176.83 3hrx h LYS 205 N 0.84 0.96 -0.36 6.66 1.57 -1.01 -1.51 116.57 123.73 3hrx h LYS 205 Ca 0.15 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3hrx h LYS 205 Cb 0.54 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3hrx h LYS 205 CO 0.03 0.74 0.15 -0.22 -0.57 0.00 0.00 179.45 179.57 3hrx h LYS 206 N 0.96 0.53 -0.45 3.15 3.64 -1.02 -0.91 116.57 122.47 3hrx h LYS 206 Ca 0.24 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3hrx h LYS 206 Cb 0.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3hrx h LYS 206 CO -0.03 0.51 0.29 -0.07 -2.27 0.00 0.00 179.45 177.88 3hrx h LEU 207 N 0.43 0.51 -0.71 5.20 3.38 -0.86 -2.71 115.31 120.55 3hrx h LEU 207 Ca 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3hrx h LEU 207 Cb 0.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3hrx h LEU 207 CO -0.01 0.37 0.28 -0.07 0.09 0.00 0.00 178.44 179.10 3hrx h LEU 208 N 0.60 0.98 -1.64 1.67 3.38 -1.07 0.59 115.31 119.82 3hrx h LEU 208 Ca 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3hrx h LEU 208 Cb -0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3hrx h LEU 208 CO -0.04 0.88 -0.12 0.25 0.09 0.00 0.00 178.44 179.50 3hrx h LEU 209 N 1.01 0.07 -0.59 1.67 5.85 -0.96 -3.08 115.31 119.29 3hrx h LEU 209 Ca 0.24 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3hrx h LEU 209 Cb 0.21 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3hrx h LEU 209 CO -0.02 0.21 -0.50 -0.62 -0.34 0.00 0.00 178.44 177.16 3hrx n GLU 210 N -4.35 1.62 -0.27 1.25 1.02 -1.04 -4.75 120.64 114.11 3hrx n GLU 210 Ca -0.02 -0.55 0.01 0.00 -0.02 0.00 0.00 57.16 56.59 3hrx n GLU 210 Cb 0.22 -1.29 0.14 0.00 -0.02 0.00 0.00 31.44 30.49 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 1.24 0.93 0.00 2.62 1.03 -0.79 -3.03 112.91 114.90 3hrx h THR 211 Ca 0.00 -0.26 -0.07 0.00 -0.01 0.00 0.00 66.41 66.07 3hrx h THR 211 Cb 0.51 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 67.68 3hrx h THR 211 CO 0.00 0.14 -0.33 1.88 -0.01 0.00 0.00 175.52 177.20 3hrx h TYR 212 N 0.76 0.00 -0.04 0.00 -1.99 -1.85 -3.03 116.97 110.82 3hrx h TYR 212 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 3hrx h TYR 212 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 3hrx h TYR 212 CO -0.07 0.33 0.00 2.89 -0.00 0.00 0.00 178.16 181.31 3hrx n ARG 213 N -4.09 1.65 -4.03 4.88 1.85 -1.15 -4.90 116.66 110.88 3hrx n ARG 213 Ca -0.02 -0.95 -0.32 0.00 -1.00 0.00 0.00 57.85 55.56 3hrx n ARG 213 Cb 0.37 -1.47 -0.06 0.00 -1.05 0.00 0.00 32.46 30.26 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 -1.94 4.02 0.81 2.89 1.43 -1.15 -5.11 118.68 119.64 3hrx s LEU 214 Ca 0.37 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 3hrx s LEU 214 Cb 0.20 -2.49 0.08 0.00 0.03 0.00 0.00 46.19 44.02 3hrx s LEU 214 CO 0.33 0.23 1.13 -0.94 0.23 0.00 0.00 176.35 177.32 3hrx s SER 215 N -2.05 4.44 0.21 2.29 1.04 -1.26 -4.78 113.70 113.58 3hrx s SER 215 Ca 0.27 1.05 -0.10 0.00 0.48 0.00 0.00 55.95 57.65 3hrx s SER 215 Cb -0.12 -1.69 0.18 0.00 0.10 0.00 0.00 66.02 64.49 3hrx s SER 215 CO 0.19 -1.97 1.86 0.25 0.98 0.00 0.00 173.24 174.54 3hrx h LEU 216 N -1.10 0.77 -0.59 2.42 5.85 -1.99 -0.08 115.31 120.60 3hrx h LEU 216 Ca -0.47 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.27 3hrx h LEU 216 Cb 1.30 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3hrx h LEU 216 CO 0.63 0.54 0.35 0.74 -0.34 0.00 0.00 178.44 180.36 3hrx h THR 217 N 0.91 1.06 -0.64 1.05 2.02 -1.99 0.35 112.91 115.67 3hrx h THR 217 Ca 0.28 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 3hrx h THR 217 Cb -0.02 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3hrx h THR 217 CO -0.09 0.13 0.08 -0.33 0.37 0.00 0.00 175.52 175.67 3hrx h GLU 218 N 0.69 1.08 -0.69 6.66 5.08 -1.80 -1.96 114.58 123.64 3hrx h GLU 218 Ca 0.24 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3hrx h GLU 218 Cb 0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3hrx h GLU 218 CO -0.11 1.01 0.20 0.00 -1.00 0.00 0.00 179.01 179.11 3hrx h ALA 219 N 1.03 0.91 -0.26 3.43 0.00 -0.37 -1.11 119.26 122.89 3hrx h ALA 219 Ca 0.19 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3hrx h ALA 219 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hrx h ALA 219 CO 0.02 0.60 -0.27 -0.07 0.00 0.00 0.00 179.25 179.52 3hrx h LEU 220 N 1.02 0.52 -0.51 0.00 3.38 -0.81 -0.51 115.31 118.39 3hrx h LEU 220 Ca 0.22 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3hrx h LEU 220 Cb 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3hrx h LEU 220 CO -0.00 0.78 -0.04 0.00 0.09 0.00 0.00 178.44 179.26 3hrx h ALA 221 N 1.26 0.70 -0.43 1.53 0.00 -0.98 -1.45 119.26 119.88 3hrx h ALA 221 Ca 0.06 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3hrx h ALA 221 Cb 0.71 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hrx h ALA 221 CO 0.05 0.55 -0.28 1.25 0.00 0.00 0.00 179.25 180.82 3hrx h LEU 222 N 0.80 0.96 -0.59 0.00 5.85 -0.95 -1.75 115.31 119.62 3hrx h LEU 222 Ca 0.14 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hrx h LEU 222 Cb 0.58 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3hrx h LEU 222 CO 0.03 1.17 0.38 -0.33 -0.34 0.00 0.00 178.44 179.35 3hrx h GLU 223 N 0.78 0.78 -0.42 1.25 5.08 -0.96 0.40 114.58 121.49 3hrx h GLU 223 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hrx h GLU 223 Cb 0.85 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3hrx h GLU 223 CO 0.07 0.53 0.27 0.00 -1.00 0.00 0.00 179.01 178.88 3hrx h ALA 224 N 1.21 0.54 -0.14 3.43 0.00 -1.06 0.17 119.26 123.41 3hrx h ALA 224 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hrx h ALA 224 Cb -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hrx h ALA 224 CO -0.05 0.02 0.05 0.28 0.00 0.00 0.00 179.25 179.55 3hrx h VAL 225 N 0.57 1.16 -0.00 0.00 2.07 -0.93 -1.48 116.25 117.64 3hrx h VAL 225 Ca 0.15 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 3hrx h VAL 225 Cb -0.03 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3hrx h VAL 225 CO -0.03 0.15 -0.60 -0.07 0.02 0.00 0.00 177.57 177.04 3hrx h LEU 226 N 0.06 0.02 -0.62 2.57 3.38 -0.79 -2.67 115.31 117.25 3hrx h LEU 226 Ca 0.05 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3hrx h LEU 226 Cb 0.19 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hrx h LEU 226 CO -0.00 0.61 -0.54 -0.61 0.09 0.00 0.00 178.44 177.99 3hrx h GLN 227 N 0.01 0.42 -0.81 1.13 5.75 -0.61 -0.59 115.11 120.42 3hrx h GLN 227 Ca -0.01 -0.26 0.01 0.00 -0.15 0.00 0.00 58.65 58.24 3hrx h GLN 227 Cb 1.07 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.60 3hrx h GLN 227 CO 0.08 0.86 0.53 0.78 -2.65 0.00 0.00 178.83 178.43 3hrx h GLY 228 N 1.20 1.14 0.84 2.39 0.00 -0.98 0.39 103.07 108.06 3hrx h GLY 228 Ca 0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3hrx h GLY 228 CO 0.09 0.40 -0.05 1.46 0.00 0.00 0.00 176.54 178.44 3hrx h GLN 229 N 1.07 0.46 -0.51 4.80 4.20 -1.16 -2.96 115.11 121.01 3hrx h GLN 229 Ca 0.30 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3hrx h GLN 229 Cb -0.10 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3hrx h GLN 229 CO -0.07 0.68 0.16 0.00 -0.67 0.00 0.00 178.83 178.93 3hrx h ALA 230 N 0.77 1.33 0.00 3.87 0.00 -0.61 -2.20 119.26 122.42 3hrx h ALA 230 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hrx h ALA 230 Cb 0.50 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hrx h ALA 230 CO 0.02 0.49 -0.04 0.78 0.00 0.00 0.00 179.25 180.50 3hrx h GLY 231 N 0.90 0.00 1.37 0.00 0.00 -0.08 -2.56 103.07 102.70 3hrx h GLY 231 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3hrx h GLY 231 CO -0.01 0.00 -0.40 -1.06 0.00 0.00 0.00 176.54 175.07 3hrx n GLN 232 N -3.23 0.16 -1.60 4.80 1.13 -0.83 -4.78 117.38 113.03 3hrx n GLN 232 Ca -0.01 0.07 -0.33 0.00 -1.94 0.00 0.00 57.00 54.79 3hrx n GLN 232 Cb 0.23 -1.62 0.06 0.00 0.11 0.00 0.00 30.24 29.02 3hrx n GLN 232 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3hrx s THR 233 N -3.08 3.13 0.24 5.09 -4.23 -0.97 -4.94 115.64 110.89 3hrx s THR 233 Ca 0.09 0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 3hrx s THR 233 Cb 0.15 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 71.06 3hrx s THR 233 CO 0.67 -0.36 1.68 -0.61 -0.54 0.00 0.00 174.62 175.46 3hrx h GLN 234 N -0.28 0.72 -0.70 3.99 4.15 -1.17 -3.02 115.11 118.81 3hrx h GLN 234 Ca -0.46 -0.26 0.01 0.00 0.77 0.00 0.00 58.65 58.71 3hrx h GLN 234 Cb 1.25 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 3hrx h GLN 234 CO 0.53 0.85 0.46 -0.44 -1.93 0.00 0.00 178.83 178.29 3hrx h ASP 235 N 0.64 0.80 -0.41 -0.69 3.45 -1.92 -1.43 116.42 116.86 3hrx h ASP 235 Ca 0.10 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.47 3hrx h ASP 235 Cb 0.64 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 3hrx h ASP 235 CO 0.05 0.59 -0.01 -0.74 -1.57 0.00 0.00 179.24 177.55 3hrx h HIS 236 N 0.95 0.81 -0.26 4.55 2.76 -1.76 0.27 115.15 122.47 3hrx h HIS 236 Ca 0.25 -0.15 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3hrx h HIS 236 Cb -0.10 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 3hrx h HIS 236 CO 0.00 0.82 0.11 1.49 -1.30 0.00 0.00 177.93 179.05 3hrx h GLU 237 N 0.57 0.24 -0.47 5.26 4.81 -1.46 -0.10 114.58 123.43 3hrx h GLU 237 Ca 0.12 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3hrx h GLU 237 Cb 0.50 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3hrx h GLU 237 CO 0.02 0.16 0.09 1.49 -0.73 0.00 0.00 179.01 180.04 3hrx h GLU 238 N 0.25 0.72 -0.38 1.92 4.57 -1.10 -0.39 114.58 120.16 3hrx h GLU 238 Ca 0.11 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3hrx h GLU 238 Cb 0.05 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3hrx h GLU 238 CO -0.09 0.67 0.13 0.78 -1.18 0.00 0.00 179.01 179.31 3hrx h GLY 239 N 0.91 0.63 0.83 1.92 0.00 0.43 0.10 103.07 107.89 3hrx h GLY 239 Ca 0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 3hrx h GLY 239 CO 0.00 0.34 -0.12 -2.08 0.00 0.00 0.00 176.54 174.68 3hrx h VAL 240 N 0.46 1.31 -0.75 4.60 2.07 -0.79 -1.94 116.25 121.21 3hrx h VAL 240 Ca 0.12 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 3hrx h VAL 240 Cb 0.24 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3hrx h VAL 240 CO -0.01 0.37 0.41 -0.09 0.02 0.00 0.00 177.57 178.27 3hrx h ARG 241 N 0.18 1.05 -0.74 1.57 2.43 -1.01 -0.12 114.38 117.75 3hrx h ARG 241 Ca 0.05 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3hrx h ARG 241 Cb 0.63 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3hrx h ARG 241 CO 0.04 0.78 0.27 0.00 -1.51 0.00 0.00 179.97 179.55 3hrx h ALA 242 N 1.21 0.97 -0.14 2.80 0.00 -0.74 0.16 119.26 123.51 3hrx h ALA 242 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hrx h ALA 242 Cb 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hrx h ALA 242 CO -0.04 0.62 -0.00 0.35 0.00 0.00 0.00 179.25 180.17 3hrx h PHE 243 N 1.08 0.27 -0.52 0.00 3.57 -0.93 0.12 116.94 120.54 3hrx h PHE 243 Ca 0.24 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3hrx h PHE 243 Cb 0.25 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3hrx h PHE 243 CO 0.02 0.48 0.22 0.00 -2.23 0.00 0.00 178.31 176.80 3hrx h ARG 244 N -0.02 0.74 -0.48 1.11 3.08 -0.82 -1.51 114.38 116.49 3hrx h ARG 244 Ca 0.04 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hrx h ARG 244 Cb 0.37 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3hrx h ARG 244 CO 0.01 0.60 0.00 0.39 -1.07 0.00 0.00 179.97 179.90 3hrx n GLU 245 N -4.35 2.14 -3.97 0.04 1.02 0.53 -4.94 120.64 111.11 3hrx n GLU 245 Ca 0.04 -1.40 -0.41 0.00 -0.02 0.00 0.00 57.16 55.37 3hrx n GLU 245 Cb 0.15 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.52 -0.66 -3.77 3.49 -0.00 -0.57 -4.97 118.16 112.20 3hrx n LYS 246 Ca 0.13 0.20 -0.11 0.00 -0.00 0.00 0.00 58.31 58.53 3hrx n LYS 246 Cb 0.42 -3.11 -0.07 0.00 -0.00 0.00 0.00 35.03 32.26 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 -6.98 0.84 0.23 -1.58 1.70 0.32 -5.03 118.95 108.46 3hrx s ARG 247 Ca 0.45 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 3hrx s ARG 247 Cb -0.22 0.36 -0.10 0.00 -0.57 0.00 0.00 34.95 34.42 3hrx s ARG 247 CO 0.94 -0.28 1.47 -2.14 -1.08 0.00 0.00 175.30 174.21 3hrx s PRO 248 N -3.03 4.25 0.56 3.89 0.02 -1.26 -4.28 135.00 135.15 3hrx s PRO 248 Ca -0.02 2.32 -0.18 0.00 0.02 0.00 0.00 61.00 63.15 3hrx s PRO 248 Cb 0.01 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 3hrx s PRO 248 CO -0.06 -0.46 1.06 -1.25 -0.33 0.00 0.00 177.00 175.96 3hrx s PRO 249 N -0.08 3.44 -0.66 5.54 0.04 -1.26 -4.96 135.00 137.05 3hrx s PRO 249 Ca 0.61 1.32 0.02 0.00 0.04 0.00 0.00 61.00 63.00 3hrx s PRO 249 Cb -0.42 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.24 3hrx s PRO 249 CO 0.41 -0.73 0.45 1.03 0.04 0.00 0.00 177.00 178.21 3hrx s ARG 250 N -3.71 2.45 0.49 4.56 0.52 -1.26 -5.09 118.95 116.92 3hrx s ARG 250 Ca 0.66 -2.97 -0.20 0.00 -0.52 0.00 0.00 55.73 52.70 3hrx s ARG 250 Cb -0.17 -3.52 -0.08 0.00 0.52 0.00 0.00 34.95 31.69 3hrx s ARG 250 CO 0.30 -1.21 1.03 -0.06 0.02 0.00 0.00 175.30 175.39 3hrx s PHE 251 N -0.84 3.02 0.00 -0.53 2.99 -1.26 -4.99 117.98 116.38 3hrx s PHE 251 Ca 0.21 1.57 0.00 0.00 0.00 0.00 0.00 56.93 58.71 3hrx s PHE 251 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 43.02 39.83 3hrx s PHE 251 CO -0.08 -0.80 0.00 1.04 -0.00 0.00 0.00 175.22 175.37 3hrx n GLN 252 N -1.06 5.59 -0.85 0.44 1.13 -1.26 -4.85 117.38 116.52 3hrx n GLN 252 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 3hrx n GLN 252 Cb 0.53 -0.49 0.00 0.00 0.11 0.00 0.00 30.24 30.39 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 1.00 0.96 0.00 1.08 0.00 -1.26 -4.95 105.19 102.03 3hrx n GLY 253 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3hrx n GLY 253 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36