#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h53 n ASP 19 N 0.00 7.87 -0.79 1.96 2.03 -1.26 -4.48 116.55 121.89 3h53 n ASP 19 Ca 0.00 -2.79 0.07 0.00 0.52 0.00 0.00 54.79 52.59 3h53 n ASP 19 Cb 0.00 -1.45 0.20 0.00 -0.72 0.00 0.00 41.12 39.15 3h53 n ASP 19 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3h53 n ASN 20 N 2.62 3.31 0.00 1.67 6.94 -1.26 -4.96 115.26 123.58 3h53 n ASN 20 Ca 0.66 -2.27 0.00 0.00 -0.02 0.00 0.00 54.58 52.96 3h53 n ASN 20 Cb 0.36 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3h53 n ASN 20 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h53 n GLY 21 N 0.36 1.76 3.87 4.83 0.00 -1.26 -4.93 105.19 109.82 3h53 n GLY 21 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3h53 n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h53 s LEU 22 N 0.00 4.06 -1.32 0.99 1.43 -1.26 -4.66 118.68 117.92 3h53 s LEU 22 Ca 0.00 -0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3h53 s LEU 22 Cb 0.00 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.58 3h53 s LEU 22 CO 0.00 0.04 0.72 0.18 0.23 0.00 0.00 176.35 177.52 3h53 n LEU 23 N -0.61 -3.08 0.30 1.79 4.77 -1.26 -4.28 117.00 114.63 3h53 n LEU 23 Ca -0.08 -0.81 0.20 0.00 -0.03 0.00 0.00 56.01 55.29 3h53 n LEU 23 Cb 0.55 -2.66 0.99 0.00 -2.33 0.00 0.00 43.42 39.97 3h53 n LEU 23 CO 0.46 0.41 1.09 1.56 -1.33 0.00 0.00 177.39 179.58 3h53 h GLN 24 N -1.89 0.00 -5.46 3.23 1.08 -1.90 0.92 115.11 111.08 3h53 h GLN 24 Ca -0.61 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.17 3h53 h GLN 24 Cb 1.36 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.65 3h53 h GLN 24 CO 0.57 0.00 -0.73 0.95 -0.95 0.00 0.00 178.83 178.67 3h53 s THR 25 N -3.93 1.62 0.42 -0.54 -4.23 -1.26 -4.29 115.64 103.43 3h53 s THR 25 Ca -0.03 -2.18 -0.25 0.00 -1.18 0.00 0.00 61.69 58.05 3h53 s THR 25 Cb 0.11 -2.02 -0.10 0.00 1.34 0.00 0.00 72.50 71.83 3h53 s THR 25 CO 0.43 -0.62 1.19 -2.65 -0.54 0.00 0.00 174.62 172.44 3h53 n PRO 26 N -0.35 1.74 -2.14 3.99 -0.02 -1.26 -4.87 135.00 132.08 3h53 n PRO 26 Ca -0.08 0.62 -0.39 0.00 -2.02 0.00 0.00 63.50 61.63 3h53 n PRO 26 Cb 0.60 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3h53 n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h53 s PRO 27 N -2.16 4.00 -0.05 0.52 0.04 -1.26 -4.78 135.00 131.31 3h53 s PRO 27 Ca 0.62 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.75 3h53 s PRO 27 Cb -0.52 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 3h53 s PRO 27 CO 0.57 -0.43 -0.21 -1.64 0.04 0.00 0.00 177.00 175.33 3h53 s MET 28 N -2.25 2.15 0.00 4.56 -1.94 -1.26 -1.16 119.30 119.40 3h53 s MET 28 Ca 0.57 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 3h53 s MET 28 Cb -0.35 -1.85 0.00 0.00 2.01 0.00 0.00 34.83 34.64 3h53 s MET 28 CO 0.45 0.32 0.00 0.41 -0.01 0.00 0.00 175.02 176.19 3h53 n GLY 29 N 3.03 -0.75 2.83 -0.03 0.00 -0.62 -1.29 105.19 108.36 3h53 n GLY 29 Ca -0.18 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 3h53 n GLY 29 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h53 s TRP 30 N -4.00 0.17 -0.04 1.61 -0.00 0.61 -0.38 118.94 116.90 3h53 s TRP 30 Ca 0.00 0.03 0.04 0.00 -0.00 0.00 0.00 56.10 56.17 3h53 s TRP 30 Cb 0.00 -0.24 -0.00 0.00 -0.00 0.00 0.00 33.47 33.23 3h53 s TRP 30 CO 0.00 -0.07 -0.17 -1.17 -0.00 0.00 0.00 176.95 175.54 3h53 s LEU 31 N 0.63 1.93 0.41 5.86 0.20 0.13 -0.05 118.68 127.79 3h53 s LEU 31 Ca -0.06 -0.35 0.21 0.00 0.69 0.00 0.00 54.13 54.62 3h53 s LEU 31 Cb -0.09 -0.96 0.85 0.00 -0.43 0.00 0.00 46.19 45.57 3h53 s LEU 31 CO -0.01 0.16 1.81 0.00 -0.29 0.00 0.00 176.35 178.02 3h53 h ALA 32 N 6.18 1.08 0.95 5.97 0.00 -1.74 -3.37 119.26 128.33 3h53 h ALA 32 Ca -0.33 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 3h53 h ALA 32 Cb 1.17 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3h53 h ALA 32 CO 0.48 0.38 -0.47 2.35 0.00 0.00 0.00 179.25 181.99 3h53 h TRP 33 N 0.00 -1.23 -0.55 0.00 2.91 -1.87 -1.88 115.95 113.32 3h53 h TRP 33 Ca -0.00 -0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.07 3h53 h TRP 33 Cb 0.76 0.41 -0.06 0.00 -0.51 0.00 0.00 29.16 29.75 3h53 h TRP 33 CO 0.00 -0.75 0.21 1.49 -1.03 0.00 0.00 178.44 178.35 3h53 h GLU 34 N -1.30 0.38 0.16 2.65 4.22 -1.87 0.44 114.58 119.27 3h53 h GLU 34 Ca -0.13 -0.02 -0.33 0.00 0.08 0.00 0.00 59.36 58.96 3h53 h GLU 34 Cb 1.00 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.17 3h53 h GLU 34 CO 0.21 0.25 -1.61 -0.09 -2.18 0.00 0.00 179.01 175.59 3h53 h ARG 35 N 0.39 0.34 0.00 1.92 9.65 -1.68 -3.40 114.38 121.61 3h53 h ARG 35 Ca 0.27 -0.59 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 3h53 h ARG 35 Cb 0.30 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3h53 h ARG 35 CO -0.27 1.24 -1.11 1.19 2.80 0.00 0.00 179.97 183.82 3h53 n PHE 36 N -3.54 0.00 -1.40 2.20 3.72 -0.71 -5.04 117.46 112.69 3h53 n PHE 36 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3h53 n PHE 36 Cb 1.06 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 3h53 n PHE 36 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3h53 n ARG 37 N -1.63 0.00 -1.67 -1.08 5.12 0.15 -2.67 116.66 114.89 3h53 n ARG 37 Ca -0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 3h53 n ARG 37 Cb 0.24 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.59 3h53 n ARG 37 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h53 s ASN 39 N -2.41 6.34 0.00 0.00 2.47 -1.09 -4.83 114.94 115.42 3h53 s ASN 39 Ca 0.58 0.46 0.06 0.00 0.42 0.00 0.00 52.86 54.38 3h53 s ASN 39 Cb 0.47 -2.55 0.07 0.00 -1.45 0.00 0.00 41.25 37.79 3h53 s ASN 39 CO -0.04 -1.50 0.78 2.30 -3.72 0.00 0.00 177.10 174.92 3h53 n ILE 40 N 6.90 0.20 -2.55 -5.21 -5.35 -1.26 0.27 119.36 112.36 3h53 n ILE 40 Ca 0.13 -0.60 -0.43 0.00 -0.27 0.00 0.00 62.75 61.58 3h53 n ILE 40 Cb 0.49 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 3h53 n ILE 40 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3h53 n ASN 41 N 0.28 4.88 0.20 7.28 5.15 -1.26 -4.74 115.26 127.06 3h53 n ASN 41 Ca 0.04 -2.92 0.09 0.00 -0.60 0.00 0.00 54.58 51.19 3h53 n ASN 41 Cb 0.19 -1.72 0.25 0.00 -0.53 0.00 0.00 39.78 37.97 3h53 n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h53 h ASP 43 N 0.00 0.55 0.52 0.00 3.32 -1.98 -2.49 116.42 116.34 3h53 h ASP 43 Ca -0.00 -0.20 -0.19 0.00 0.02 0.00 0.00 57.03 56.65 3h53 h ASP 43 Cb 1.01 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 3h53 h ASP 43 CO 0.03 0.61 -1.64 -0.62 -1.72 0.00 0.00 179.24 175.90 3h53 n GLU 44 N -4.62 0.64 -3.16 3.56 1.02 -1.23 -4.66 120.64 112.18 3h53 n GLU 44 Ca -0.01 0.16 -0.20 0.00 -0.02 0.00 0.00 57.16 57.09 3h53 n GLU 44 Cb 0.17 -1.74 -0.04 0.00 -0.02 0.00 0.00 31.44 29.82 3h53 n GLU 44 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3h53 n ASP 45 N -2.83 1.29 0.29 1.62 2.03 -0.25 -4.96 116.55 113.75 3h53 n ASP 45 Ca -0.13 -3.07 0.17 0.00 0.52 0.00 0.00 54.79 52.28 3h53 n ASP 45 Cb 0.88 -0.62 0.83 0.00 -0.72 0.00 0.00 41.12 41.50 3h53 n ASP 45 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3h53 h PRO 46 N 3.13 0.00 0.00 -0.67 0.13 -1.63 -2.10 132.00 130.86 3h53 h PRO 46 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3h53 h PRO 46 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3h53 h PRO 46 CO 0.54 0.04 -0.68 -0.22 -0.23 0.00 0.00 178.00 177.45 3h53 h LYS 47 N 0.00 0.00 0.00 0.86 1.63 -1.93 -3.38 116.57 113.75 3h53 h LYS 47 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3h53 h LYS 47 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3h53 h LYS 47 CO 0.01 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.10 3h53 n ASN 48 N -2.69 0.59 -4.81 4.20 3.02 -1.04 -4.87 115.26 109.65 3h53 n ASN 48 Ca 0.02 -0.80 -0.32 0.00 -0.03 0.00 0.00 54.58 53.45 3h53 n ASN 48 Cb 0.53 0.40 0.03 0.00 -0.61 0.00 0.00 39.78 40.13 3h53 n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h53 s ILE 50 N -2.75 3.49 0.21 0.00 -1.09 0.14 -4.63 121.20 116.57 3h53 s ILE 50 Ca 0.61 0.42 -0.18 0.00 -2.23 0.00 0.00 60.65 59.27 3h53 s ILE 50 Cb -0.15 -3.87 0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3h53 s ILE 50 CO 0.46 -0.70 0.55 -0.94 -1.23 0.00 0.00 174.94 173.07 3h53 s SER 51 N 6.65 -0.26 0.36 3.58 1.04 -1.26 -4.89 113.70 118.92 3h53 s SER 51 Ca 0.71 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 56.66 3h53 s SER 51 Cb -0.17 0.60 0.67 0.00 0.10 0.00 0.00 66.02 67.23 3h53 s SER 51 CO 0.27 -1.10 1.95 1.05 0.98 0.00 0.00 173.24 176.39 3h53 h GLU 52 N 2.16 0.62 -0.33 4.02 4.11 -1.36 -2.39 114.58 121.41 3h53 h GLU 52 Ca -0.27 -0.08 0.05 0.00 0.07 0.00 0.00 59.36 59.12 3h53 h GLU 52 Cb 1.26 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 3h53 h GLU 52 CO 0.35 0.51 0.07 0.37 0.07 0.00 0.00 179.01 180.38 3h53 h GLN 53 N 0.62 0.19 -0.21 1.06 4.15 -1.95 0.55 115.11 119.53 3h53 h GLN 53 Ca 0.15 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.62 3h53 h GLN 53 Cb 0.12 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 3h53 h GLN 53 CO -0.02 0.12 -0.21 1.25 -1.93 0.00 0.00 178.83 178.05 3h53 h LEU 54 N 0.19 -0.67 -0.65 -2.39 5.85 -1.69 -0.09 115.31 115.87 3h53 h LEU 54 Ca 0.15 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 3h53 h LEU 54 Cb 0.16 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3h53 h LEU 54 CO -0.20 -0.25 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.24 3h53 h PHE 55 N -0.23 1.01 -0.65 1.25 0.04 -1.35 -1.53 116.94 115.48 3h53 h PHE 55 Ca 0.13 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 3h53 h PHE 55 Cb 0.42 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 3h53 h PHE 55 CO -0.35 0.98 0.26 0.52 -0.60 0.00 0.00 178.31 179.12 3h53 h MET 56 N 0.80 0.98 -0.46 1.51 2.86 -0.58 -0.56 114.93 119.47 3h53 h MET 56 Ca 0.12 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 3h53 h MET 56 Cb 0.68 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3h53 h MET 56 CO 0.05 0.83 -0.12 0.93 1.06 0.00 0.00 176.91 179.66 3h53 h GLU 57 N 0.93 0.85 -0.40 1.72 5.08 -0.80 -1.79 114.58 120.17 3h53 h GLU 57 Ca 0.22 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 3h53 h GLU 57 Cb 0.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3h53 h GLU 57 CO -0.02 0.93 -0.26 0.52 -1.00 0.00 0.00 179.01 179.17 3h53 h MET 58 N 0.77 0.83 -0.36 2.33 2.86 -1.09 -2.11 114.93 118.16 3h53 h MET 58 Ca 0.12 -0.36 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 3h53 h MET 58 Cb 0.63 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3h53 h MET 58 CO 0.04 1.00 0.21 0.00 1.06 0.00 0.00 176.91 179.22 3h53 h ALA 59 N 0.99 0.45 -0.38 6.32 0.00 -0.92 0.61 119.26 126.33 3h53 h ALA 59 Ca 0.09 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3h53 h ALA 59 Cb 0.80 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3h53 h ALA 59 CO 0.07 -0.14 0.09 -0.44 0.00 0.00 0.00 179.25 178.83 3h53 h ASP 60 N 0.42 0.05 -0.80 0.00 3.32 -1.21 -0.39 116.42 117.80 3h53 h ASP 60 Ca 0.14 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3h53 h ASP 60 Cb 0.01 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3h53 h ASP 60 CO -0.07 0.06 0.50 0.03 -1.72 0.00 0.00 179.24 178.05 3h53 h ARG 61 N 0.23 1.08 -0.56 3.56 2.47 -0.98 0.46 114.38 120.64 3h53 h ARG 61 Ca 0.18 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 58.74 3h53 h ARG 61 Cb 0.20 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3h53 h ARG 61 CO -0.22 0.75 0.04 0.52 0.56 0.00 0.00 179.97 181.62 3h53 h MET 62 N 1.10 0.93 -0.15 0.04 2.86 -0.33 0.69 114.93 120.07 3h53 h MET 62 Ca 0.29 -0.25 -0.22 0.00 -2.06 0.00 0.00 59.70 57.46 3h53 h MET 62 Cb -0.07 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.49 3h53 h MET 62 CO -0.06 0.89 -0.76 0.00 1.06 0.00 0.00 176.91 178.05 3h53 h ALA 63 N 1.17 0.30 0.00 6.32 0.00 -0.76 -0.14 119.26 126.16 3h53 h ALA 63 Ca 0.17 -0.59 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 3h53 h ALA 63 Cb 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3h53 h ALA 63 CO 0.02 0.66 -1.59 1.96 0.00 0.00 0.00 179.25 180.30 3h53 h GLN 64 N 0.52 0.00 -0.65 0.00 4.20 -0.79 -3.39 115.11 114.99 3h53 h GLN 64 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3h53 h GLN 64 Cb 1.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.17 3h53 h GLN 64 CO 0.16 0.54 0.00 -0.25 -0.67 0.00 0.00 178.83 178.61 3h53 n ASP 65 N -3.07 4.79 0.00 1.46 8.00 0.23 -4.93 116.55 123.02 3h53 n ASP 65 Ca -0.14 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 52.91 3h53 n ASP 65 Cb 1.02 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3h53 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h53 n GLY 66 N 1.13 0.96 0.31 0.44 0.00 -1.26 -4.96 105.19 101.81 3h53 n GLY 66 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 3h53 n GLY 66 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h53 h TRP 67 N 0.00 -0.73 -0.21 1.61 4.06 -1.78 -0.86 115.95 118.05 3h53 h TRP 67 Ca 0.00 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 3h53 h TRP 67 Cb 0.00 0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 3h53 h TRP 67 CO 0.00 -0.41 0.13 -0.09 -3.56 0.00 0.00 178.44 174.51 3h53 h ARG 68 N -0.62 0.25 0.00 0.49 2.43 -1.02 -0.42 114.38 115.49 3h53 h ARG 68 Ca -0.03 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3h53 h ARG 68 Cb 0.55 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3h53 h ARG 68 CO -0.01 0.17 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.17 3h53 h ASP 69 N 0.26 0.00 0.60 -3.80 3.32 -1.77 -0.14 116.42 114.90 3h53 h ASP 69 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3h53 h ASP 69 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3h53 h ASP 69 CO -0.03 0.00 -0.25 0.23 -1.72 0.00 0.00 179.24 177.47 3h53 n MET 70 N -4.15 0.21 0.00 3.56 2.81 -0.34 -4.93 117.12 114.28 3h53 n MET 70 Ca -0.03 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 3h53 n MET 70 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 3h53 n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h53 n GLY 71 N 1.44 1.16 3.55 3.03 0.00 -0.06 -5.03 105.19 109.28 3h53 n GLY 71 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3h53 n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h53 s TYR 72 N -2.00 2.09 -0.10 1.61 2.02 -0.22 -4.50 117.35 116.25 3h53 s TYR 72 Ca 0.00 0.15 0.11 0.00 -0.37 0.00 0.00 57.07 56.95 3h53 s TYR 72 Cb 0.00 -4.42 -0.15 0.00 -0.40 0.00 0.00 41.96 36.98 3h53 s TYR 72 CO 0.00 -2.09 0.08 0.25 -1.57 0.00 0.00 175.55 172.22 3h53 n THR 73 N 6.85 0.66 -3.08 -0.71 -2.24 -0.41 -3.35 114.28 112.00 3h53 n THR 73 Ca 0.16 -0.46 -0.39 0.00 -2.27 0.00 0.00 64.05 61.09 3h53 n THR 73 Cb 0.50 -0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 3h53 n THR 73 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3h53 s TYR 74 N -2.39 3.70 -0.31 4.78 2.02 -0.70 -0.44 117.35 124.02 3h53 s TYR 74 Ca -0.06 1.34 0.03 0.00 -0.37 0.00 0.00 57.07 58.01 3h53 s TYR 74 Cb 0.04 -2.73 0.09 0.00 -0.40 0.00 0.00 41.96 38.97 3h53 s TYR 74 CO 0.49 0.30 0.02 -1.17 -1.57 0.00 0.00 175.55 173.62 3h53 s LEU 75 N -0.06 3.87 -0.17 -1.29 1.98 0.52 -0.29 118.68 123.25 3h53 s LEU 75 Ca 0.35 -1.84 -0.03 0.00 -2.89 0.00 0.00 54.13 49.72 3h53 s LEU 75 Cb -0.19 -1.43 -0.02 0.00 0.66 0.00 0.00 46.19 45.21 3h53 s LEU 75 CO 0.20 -0.34 -0.05 0.20 -1.89 0.00 0.00 176.35 174.47 3h53 s ASN 76 N 1.11 4.58 0.20 3.68 0.01 0.93 -1.45 114.94 123.99 3h53 s ASN 76 Ca 0.06 -0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 51.69 3h53 s ASN 76 Cb -0.19 -1.75 -0.08 0.00 0.41 0.00 0.00 41.25 39.64 3h53 s ASN 76 CO -0.10 0.12 0.99 -0.63 -1.51 0.00 0.00 177.10 175.96 3h53 s ILE 77 N 0.66 4.10 0.00 0.60 1.01 -0.04 -2.27 121.20 125.26 3h53 s ILE 77 Ca -0.03 1.95 0.00 0.00 0.00 0.00 0.00 60.65 62.57 3h53 s ILE 77 Cb -0.15 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.08 3h53 s ILE 77 CO 0.02 0.40 0.00 -0.67 0.00 0.00 0.00 174.94 174.69 3h53 n ASP 78 N 1.98 0.00 -4.65 3.58 -0.08 -1.26 -3.40 116.55 112.72 3h53 n ASP 78 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.98 3h53 n ASP 78 Cb 0.47 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.11 3h53 n ASP 78 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3h53 s ASP 79 N 0.05 2.63 -0.27 1.67 -1.08 -1.26 -4.18 116.67 114.22 3h53 s ASP 79 Ca 0.00 2.07 0.00 0.00 -0.52 0.00 0.00 52.55 54.10 3h53 s ASP 79 Cb 0.00 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 3h53 s ASP 79 CO 0.00 -3.27 0.00 0.00 0.52 0.00 0.00 175.17 172.42 3h53 n TRP 81 N -3.15 0.66 -2.55 0.00 4.27 -1.26 -4.96 117.44 110.45 3h53 n TRP 81 Ca -0.03 0.20 -0.41 0.00 -3.89 0.00 0.00 57.50 53.37 3h53 n TRP 81 Cb 0.18 -0.87 -0.04 0.00 -1.36 0.00 0.00 31.31 29.22 3h53 n TRP 81 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3h53 s ILE 82 N -3.25 4.17 -0.16 -1.67 1.01 -1.26 -1.21 121.20 118.83 3h53 s ILE 82 Ca -0.04 1.71 -0.17 0.00 0.00 0.00 0.00 60.65 62.15 3h53 s ILE 82 Cb 0.10 -4.09 -0.14 0.00 0.01 0.00 0.00 42.46 38.34 3h53 s ILE 82 CO 0.83 0.22 0.25 1.23 0.00 0.00 0.00 174.94 177.47 3h53 h GLY 83 N 5.93 0.00 0.00 6.18 0.00 -0.36 -3.38 103.07 111.44 3h53 h GLY 83 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3h53 h GLY 83 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.90 3h53 n GLY 84 N 1.59 -0.62 3.36 4.60 0.00 -1.02 -4.88 105.19 108.22 3h53 n GLY 84 Ca -0.15 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 3h53 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h53 s ARG 85 N -0.18 2.29 0.69 1.61 0.52 -1.26 -0.44 118.95 122.18 3h53 s ARG 85 Ca 0.00 -0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 54.24 3h53 s ARG 85 Cb 0.00 -2.17 0.17 0.00 0.52 0.00 0.00 34.95 33.47 3h53 s ARG 85 CO 0.00 0.56 0.71 -0.40 0.02 0.00 0.00 175.30 176.19 3h53 n ASP 86 N 2.45 -1.07 0.30 0.23 5.68 -0.42 -4.81 116.55 118.91 3h53 n ASP 86 Ca -0.17 -1.04 0.18 0.00 -0.50 0.00 0.00 54.79 53.27 3h53 n ASP 86 Cb 0.51 -0.61 1.00 0.00 -1.14 0.00 0.00 41.12 40.89 3h53 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h53 h ALA 87 N -2.25 1.38 -0.15 2.12 0.00 -2.01 -1.02 119.26 117.33 3h53 h ALA 87 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3h53 h ALA 87 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3h53 h ALA 87 CO 0.17 -0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.76 3h53 n SER 88 N -3.49 2.62 0.00 0.00 7.64 -1.26 -4.95 113.62 114.18 3h53 n SER 88 Ca -0.02 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.00 3h53 n SER 88 Cb 0.15 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3h53 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h53 n GLY 89 N 1.32 0.73 3.70 0.23 0.00 -0.39 -5.04 105.19 105.74 3h53 n GLY 89 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3h53 n GLY 89 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h53 s ARG 90 N -0.37 4.46 0.39 1.61 3.52 -1.26 -4.70 118.95 122.59 3h53 s ARG 90 Ca 0.00 1.28 -0.26 0.00 -0.13 0.00 0.00 55.73 56.62 3h53 s ARG 90 Cb 0.00 -3.51 -0.11 0.00 -1.56 0.00 0.00 34.95 29.78 3h53 s ARG 90 CO 0.00 -0.17 1.22 1.28 -0.81 0.00 0.00 175.30 176.82 3h53 n LEU 91 N 4.49 3.58 -4.02 -0.88 4.77 -1.26 -1.30 117.00 122.39 3h53 n LEU 91 Ca 0.06 1.13 -0.16 0.00 -0.03 0.00 0.00 56.01 57.01 3h53 n LEU 91 Cb 0.50 -1.46 -0.14 0.00 -2.33 0.00 0.00 43.42 39.99 3h53 n LEU 91 CO 0.51 -0.76 -0.41 0.00 -1.33 0.00 0.00 177.39 175.39 3h53 s MET 92 N -2.06 0.55 0.81 3.23 0.23 0.41 -4.86 119.30 117.62 3h53 s MET 92 Ca 0.60 -0.42 -0.11 0.00 -1.03 0.00 0.00 55.69 54.72 3h53 s MET 92 Cb -0.54 -0.48 0.08 0.00 -1.53 0.00 0.00 34.83 32.36 3h53 s MET 92 CO 0.59 0.12 1.09 -1.25 -2.03 0.00 0.00 175.02 173.54 3h53 s PRO 93 N -0.64 1.94 -0.04 3.16 0.04 -1.26 0.16 135.00 138.36 3h53 s PRO 93 Ca -0.01 0.76 -0.31 0.00 0.04 0.00 0.00 61.00 61.47 3h53 s PRO 93 Cb -0.05 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 3h53 s PRO 93 CO 0.00 -1.75 1.99 -3.47 0.04 0.00 0.00 177.00 173.81 3h53 n ASP 94 N -3.54 3.80 -0.16 6.66 -0.08 -0.35 -3.70 116.55 119.19 3h53 n ASP 94 Ca 0.07 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.18 3h53 n ASP 94 Cb 0.55 -1.48 0.26 0.00 2.34 0.00 0.00 41.12 42.79 3h53 n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3h53 h PRO 95 N 10.81 0.87 -0.14 -0.67 0.13 -1.92 0.42 132.00 141.50 3h53 h PRO 95 Ca -0.48 -0.09 -0.18 0.00 -0.87 0.00 0.00 66.00 64.38 3h53 h PRO 95 Cb 1.25 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3h53 h PRO 95 CO 0.95 0.64 -0.66 0.87 -0.23 0.00 0.00 178.00 179.56 3h53 h LYS 96 N 0.88 0.54 0.00 0.86 1.57 -1.96 -2.90 116.57 115.56 3h53 h LYS 96 Ca 0.22 -0.40 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 3h53 h LYS 96 Cb 0.02 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3h53 h LYS 96 CO -0.04 1.02 -1.55 0.54 -0.57 0.00 0.00 179.45 178.85 3h53 n ARG 97 N -3.91 0.63 -3.21 3.15 1.74 -1.02 -4.43 116.66 109.61 3h53 n ARG 97 Ca -0.04 0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 56.82 3h53 n ARG 97 Cb 0.67 -1.70 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 3h53 n ARG 97 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3h53 n PHE 98 N -2.61 2.24 0.06 -1.55 3.72 0.15 -0.87 117.46 118.60 3h53 n PHE 98 Ca -0.07 -3.92 0.03 0.00 -0.05 0.00 0.00 57.45 53.43 3h53 n PHE 98 Cb 0.69 -0.47 0.39 0.00 -0.94 0.00 0.00 39.48 39.15 3h53 n PHE 98 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3h53 h PRO 99 N 3.64 0.38 0.00 -1.08 0.13 -1.71 -2.45 132.00 130.92 3h53 h PRO 99 Ca 0.14 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3h53 h PRO 99 Cb 0.72 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3h53 h PRO 99 CO 0.69 0.39 -0.23 0.72 -0.23 0.00 0.00 178.00 179.34 3h53 n HIS 100 N -4.35 0.36 0.00 1.56 8.25 -1.26 -5.04 115.22 114.74 3h53 n HIS 100 Ca 0.01 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3h53 n HIS 100 Cb 0.19 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.70 3h53 n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h53 n GLY 101 N 1.42 -0.29 0.22 -1.41 0.00 -0.92 -4.40 105.19 99.81 3h53 n GLY 101 Ca 0.06 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 3h53 n GLY 101 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h53 h ILE 102 N 0.00 1.31 -0.68 -0.61 1.08 -1.97 -3.04 117.51 113.60 3h53 h ILE 102 Ca 0.00 -1.89 0.10 0.00 -0.39 0.00 0.00 64.86 62.68 3h53 h ILE 102 Cb 0.00 1.85 -0.07 0.00 -3.07 0.00 0.00 36.82 35.53 3h53 h ILE 102 CO 0.00 0.59 0.31 -0.65 -0.69 0.00 0.00 178.15 177.71 3h53 h PRO 103 N 0.50 0.51 -0.32 2.37 0.11 -1.87 0.62 132.00 133.92 3h53 h PRO 103 Ca -0.01 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.10 3h53 h PRO 103 Cb 1.24 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3h53 h PRO 103 CO 0.13 0.34 0.11 0.35 -0.21 0.00 0.00 178.00 178.71 3h53 h PHE 104 N 0.52 0.19 -0.40 0.65 3.57 -1.76 0.52 116.94 120.23 3h53 h PHE 104 Ca 0.34 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 3h53 h PHE 104 Cb 0.39 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3h53 h PHE 104 CO -0.13 0.08 0.22 1.25 -2.23 0.00 0.00 178.31 177.49 3h53 h LEU 105 N 0.24 0.51 -0.68 0.59 5.85 -1.29 -0.26 115.31 120.27 3h53 h LEU 105 Ca 0.15 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3h53 h LEU 105 Cb 0.12 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3h53 h LEU 105 CO -0.16 0.46 0.43 0.00 -0.34 0.00 0.00 178.44 178.83 3h53 h ALA 106 N 1.07 0.88 -0.15 1.25 0.00 -0.60 0.43 119.26 122.13 3h53 h ALA 106 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h53 h ALA 106 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3h53 h ALA 106 CO -0.02 0.20 0.06 -0.44 0.00 0.00 0.00 179.25 179.05 3h53 h ASP 107 N 0.84 0.08 -0.31 0.00 3.32 -0.56 0.17 116.42 119.96 3h53 h ASP 107 Ca 0.27 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.36 3h53 h ASP 107 Cb 0.01 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3h53 h ASP 107 CO -0.10 0.07 0.11 0.22 -1.72 0.00 0.00 179.24 177.81 3h53 h TYR 108 N 0.14 0.19 -0.57 4.55 3.20 -0.55 -0.43 116.97 123.49 3h53 h TYR 108 Ca 0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3h53 h TYR 108 Cb 0.03 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3h53 h TYR 108 CO -0.10 0.08 0.26 0.28 -1.64 0.00 0.00 178.16 177.04 3h53 h VAL 109 N 0.24 1.21 -0.73 1.81 2.07 -0.68 -2.82 116.25 117.35 3h53 h VAL 109 Ca 0.14 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3h53 h VAL 109 Cb 0.11 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3h53 h VAL 109 CO -0.14 0.25 0.30 0.45 0.02 0.00 0.00 177.57 178.44 3h53 h HIS 110 N 0.78 1.10 0.00 1.57 3.86 -0.29 -1.50 115.15 120.67 3h53 h HIS 110 Ca 0.19 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 3h53 h HIS 110 Cb 0.15 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 3h53 h HIS 110 CO 0.00 0.83 -0.14 0.66 0.86 0.00 0.00 177.93 180.14 3h53 h SER 111 N 1.06 0.00 -0.41 2.45 4.64 -0.84 -1.20 113.55 119.26 3h53 h SER 111 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3h53 h SER 111 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3h53 h SER 111 CO -0.02 0.14 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 3h53 n LEU 112 N -3.95 2.25 -0.79 5.97 4.77 -1.04 -4.91 117.00 119.29 3h53 n LEU 112 Ca -0.02 -1.11 -0.07 0.00 -0.03 0.00 0.00 56.01 54.78 3h53 n LEU 112 Cb 0.23 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3h53 n LEU 112 CO 0.33 0.56 -0.09 0.61 -1.33 0.00 0.00 177.39 177.46 3h53 n GLY 113 N 1.18 0.12 3.72 -0.72 0.00 -0.45 -4.82 105.19 104.21 3h53 n GLY 113 Ca 0.14 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 3h53 n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h53 s LEU 114 N -2.00 2.96 0.02 0.99 1.43 -0.59 -4.98 118.68 116.51 3h53 s LEU 114 Ca 0.00 -1.21 0.08 0.00 -1.03 0.00 0.00 54.13 51.97 3h53 s LEU 114 Cb 0.00 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 3h53 s LEU 114 CO 0.00 -0.57 -0.25 -0.54 0.23 0.00 0.00 176.35 175.21 3h53 s LYS 115 N -3.87 1.97 -0.23 1.70 1.02 0.41 -3.77 119.74 116.96 3h53 s LYS 115 Ca 0.36 -1.02 -0.09 0.00 0.02 0.00 0.00 55.97 55.24 3h53 s LYS 115 Cb 0.05 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 3h53 s LYS 115 CO 0.20 0.54 0.13 -1.17 -0.92 0.00 0.00 175.35 174.12 3h53 s LEU 116 N -0.99 3.95 0.05 3.17 2.96 -1.26 -0.35 118.68 126.20 3h53 s LEU 116 Ca 0.11 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3h53 s LEU 116 Cb -0.10 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3h53 s LEU 116 CO 0.01 0.06 0.14 -0.83 -1.32 0.00 0.00 176.35 174.41 3h53 s GLY 117 N 1.06 2.10 0.36 7.98 0.00 -0.53 0.12 107.32 118.41 3h53 s GLY 117 Ca 0.06 -0.90 0.04 0.00 0.00 0.00 0.00 44.72 43.92 3h53 s GLY 117 CO 0.04 -0.85 0.15 -1.50 0.00 0.00 0.00 173.10 170.94 3h53 s ILE 118 N -1.39 0.51 0.01 0.90 2.07 0.24 -0.86 121.20 122.67 3h53 s ILE 118 Ca 0.30 -2.00 0.03 0.00 -1.41 0.00 0.00 60.65 57.57 3h53 s ILE 118 Cb -0.12 -2.45 -0.01 0.00 0.13 0.00 0.00 42.46 40.00 3h53 s ILE 118 CO 0.22 0.00 -0.10 -0.47 -1.91 0.00 0.00 174.94 172.68 3h53 s TYR 119 N -3.36 0.93 0.23 3.50 5.04 -1.22 -1.23 117.35 121.24 3h53 s TYR 119 Ca 0.30 -0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 54.61 3h53 s TYR 119 Cb 0.04 -0.59 -0.01 0.00 0.35 0.00 0.00 41.96 41.75 3h53 s TYR 119 CO 0.17 -0.01 0.38 0.00 -1.34 0.00 0.00 175.55 174.75 3h53 s ALA 120 N -0.43 0.11 -0.07 3.97 0.00 -0.59 -4.96 121.76 119.78 3h53 s ALA 120 Ca 0.02 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.94 3h53 s ALA 120 Cb -0.05 1.13 0.01 0.00 0.00 0.00 0.00 23.12 24.21 3h53 s ALA 120 CO -0.00 -0.78 -0.13 0.34 0.00 0.00 0.00 175.76 175.20 3h53 s ASP 121 N -3.05 1.92 -1.07 0.00 -1.08 -1.26 -0.71 116.67 111.43 3h53 s ASP 121 Ca 0.26 -0.32 -0.22 0.00 -0.52 0.00 0.00 52.55 51.75 3h53 s ASP 121 Cb 0.01 -0.87 0.05 0.00 -1.46 0.00 0.00 42.92 40.65 3h53 s ASP 121 CO 0.09 0.02 1.52 -0.32 0.52 0.00 0.00 175.17 177.00 3h53 s MET 122 N 0.77 3.62 0.00 4.34 -2.45 0.23 -0.27 119.30 125.54 3h53 s MET 122 Ca -0.12 -1.26 0.00 0.00 -1.25 0.00 0.00 55.69 53.06 3h53 s MET 122 Cb -0.16 -5.38 0.00 0.00 1.25 0.00 0.00 34.83 30.54 3h53 s MET 122 CO 0.02 -2.27 0.00 0.41 1.05 0.00 0.00 175.02 174.24 3h53 n GLY 123 N 6.61 -1.49 0.29 2.11 0.00 -1.09 -4.47 105.19 107.15 3h53 n GLY 123 Ca 0.36 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 3h53 n GLY 123 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h53 h ASN 124 N 0.00 0.95 -5.20 1.61 2.35 -1.25 -3.05 115.58 111.00 3h53 h ASN 124 Ca 0.00 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.36 3h53 h ASN 124 Cb 0.00 -0.25 -0.16 0.00 0.05 0.00 0.00 38.32 37.96 3h53 h ASN 124 CO 0.00 0.99 -0.62 -0.36 -1.65 0.00 0.00 177.43 175.78 3h53 s PHE 125 N -5.16 0.42 0.95 1.19 0.40 -1.26 -1.68 117.98 112.84 3h53 s PHE 125 Ca -0.12 -0.91 -0.12 0.00 -0.60 0.00 0.00 56.93 55.18 3h53 s PHE 125 Cb 0.13 -0.31 0.16 0.00 0.51 0.00 0.00 43.02 43.51 3h53 s PHE 125 CO 0.83 -0.39 1.09 0.95 0.70 0.00 0.00 175.22 178.40 3h53 s THR 126 N -3.62 2.44 0.50 0.64 -4.23 0.46 -4.41 115.64 107.42 3h53 s THR 126 Ca 0.04 0.14 0.22 0.00 -1.18 0.00 0.00 61.69 60.91 3h53 s THR 126 Cb 0.05 -2.55 0.38 0.00 1.34 0.00 0.00 72.50 71.72 3h53 s THR 126 CO -0.09 -0.19 1.99 0.00 -0.54 0.00 0.00 174.62 175.80 3h53 n MET 128 N -4.41 2.16 -0.58 0.00 2.81 -1.26 -4.92 117.12 110.91 3h53 n MET 128 Ca 0.10 -1.72 0.00 0.00 -1.81 0.00 0.00 57.70 54.27 3h53 n MET 128 Cb 0.54 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 3h53 n MET 128 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h53 n GLY 129 N 1.21 0.69 3.89 3.03 0.00 0.35 -5.03 105.19 109.32 3h53 n GLY 129 Ca 0.16 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3h53 n GLY 129 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h53 s TYR 130 N -2.00 3.36 -0.02 1.61 2.02 -1.26 -4.73 117.35 116.33 3h53 s TYR 130 Ca 0.00 0.99 -0.36 0.00 -0.37 0.00 0.00 57.07 57.33 3h53 s TYR 130 Cb 0.00 -2.93 -0.14 0.00 -0.40 0.00 0.00 41.96 38.49 3h53 s TYR 130 CO 0.00 -1.01 1.67 -2.30 -1.57 0.00 0.00 175.55 172.34 3h53 n PRO 131 N -2.86 1.78 -2.71 -1.71 -0.02 -1.26 -0.40 135.00 127.82 3h53 n PRO 131 Ca 0.06 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 3h53 n PRO 131 Cb 0.57 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3h53 n PRO 131 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3h53 s GLY 132 N 2.44 1.78 -0.94 -1.23 0.00 -0.68 -4.42 107.32 104.28 3h53 s GLY 132 Ca 0.88 -0.28 -0.17 0.00 0.00 0.00 0.00 44.72 45.15 3h53 s GLY 132 CO 0.50 -0.10 1.07 -1.59 0.00 0.00 0.00 173.10 172.98 3h53 s THR 133 N -2.55 5.01 0.97 0.90 2.01 0.62 -4.84 115.64 117.77 3h53 s THR 133 Ca 0.50 -1.95 -0.13 0.00 0.31 0.00 0.00 61.69 60.42 3h53 s THR 133 Cb -0.10 -4.71 0.17 0.00 0.01 0.00 0.00 72.50 67.87 3h53 s THR 133 CO 0.37 -1.39 1.12 0.42 -0.69 0.00 0.00 174.62 174.45 3h53 s THR 134 N 1.85 1.99 0.37 -0.82 -4.23 -1.20 -2.68 115.64 110.92 3h53 s THR 134 Ca 0.30 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 3h53 s THR 134 Cb -0.06 -2.62 0.32 0.00 1.34 0.00 0.00 72.50 71.47 3h53 s THR 134 CO -0.08 0.00 1.91 -0.07 -0.54 0.00 0.00 174.62 175.84 3h53 h LEU 135 N -1.75 0.62 0.00 4.79 3.38 -1.95 0.15 115.31 120.55 3h53 h LEU 135 Ca -0.52 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3h53 h LEU 135 Cb 1.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3h53 h LEU 135 CO 0.59 0.35 0.00 -0.90 0.09 0.00 0.00 178.44 178.57 3h53 n ASP 136 N -4.52 0.00 -0.00 -0.43 5.75 -1.26 -3.30 116.55 112.80 3h53 n ASP 136 Ca 0.14 -0.38 0.05 0.00 -0.01 0.00 0.00 54.79 54.59 3h53 n ASP 136 Cb 0.39 -0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 3h53 n ASP 136 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3h53 n LYS 137 N -1.20 3.35 -0.11 0.11 4.76 -0.01 -4.74 118.16 120.32 3h53 n LYS 137 Ca 0.17 -0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.51 3h53 n LYS 137 Cb 0.19 -0.99 -0.02 0.00 -1.84 0.00 0.00 35.03 32.36 3h53 n LYS 137 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3h53 h VAL 138 N 0.00 0.21 0.15 -0.18 2.07 -1.40 0.15 116.25 117.25 3h53 h VAL 138 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3h53 h VAL 138 Cb 0.26 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3h53 h VAL 138 CO 0.00 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 178.10 3h53 h VAL 139 N -0.29 0.91 -0.81 2.57 2.07 -1.85 -1.20 116.25 117.64 3h53 h VAL 139 Ca 0.16 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3h53 h VAL 139 Cb 0.55 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3h53 h VAL 139 CO -0.52 0.06 0.50 -0.61 0.02 0.00 0.00 177.57 177.02 3h53 h GLN 140 N -0.33 0.90 -0.48 1.57 4.15 -1.78 -0.74 115.11 118.40 3h53 h GLN 140 Ca -0.02 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 3h53 h GLN 140 Cb 0.26 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3h53 h GLN 140 CO 0.03 0.60 -0.12 -0.44 -1.93 0.00 0.00 178.83 176.97 3h53 h ASP 141 N 0.93 0.94 -0.53 -0.69 3.45 -0.60 -1.08 116.42 118.84 3h53 h ASP 141 Ca 0.35 -0.36 0.01 0.00 0.43 0.00 0.00 57.03 57.46 3h53 h ASP 141 Cb 0.13 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.62 3h53 h ASP 141 CO -0.16 1.08 0.34 0.00 -1.57 0.00 0.00 179.24 178.93 3h53 h ALA 142 N 0.88 0.68 -0.65 3.45 0.00 -0.68 -0.81 119.26 122.13 3h53 h ALA 142 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3h53 h ALA 142 Cb 0.68 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3h53 h ALA 142 CO 0.05 0.08 0.12 1.96 0.00 0.00 0.00 179.25 181.46 3h53 h GLN 143 N 0.68 1.06 -0.16 0.00 4.20 -1.04 -1.64 115.11 118.21 3h53 h GLN 143 Ca 0.20 -0.27 0.03 0.00 0.06 0.00 0.00 58.65 58.66 3h53 h GLN 143 Cb -0.04 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3h53 h GLN 143 CO -0.06 0.97 0.01 1.15 -0.67 0.00 0.00 178.83 180.22 3h53 h THR 144 N 0.98 0.90 -0.68 -0.54 2.02 -0.89 -0.48 112.91 114.21 3h53 h THR 144 Ca 0.20 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 3h53 h THR 144 Cb 0.41 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3h53 h THR 144 CO 0.01 0.01 0.35 -0.26 0.37 0.00 0.00 175.52 176.00 3h53 h PHE 145 N 0.06 0.95 -0.45 3.16 0.04 -0.91 -0.47 116.94 119.33 3h53 h PHE 145 Ca 0.08 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 3h53 h PHE 145 Cb 0.09 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 3h53 h PHE 145 CO -0.15 0.69 0.19 0.00 -0.60 0.00 0.00 178.31 178.44 3h53 h ALA 146 N 1.17 0.58 -0.42 2.45 0.00 -1.17 -1.57 119.26 120.30 3h53 h ALA 146 Ca 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3h53 h ALA 146 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3h53 h ALA 146 CO -0.03 0.17 0.14 0.93 0.00 0.00 0.00 179.25 180.45 3h53 h GLU 147 N 0.58 0.61 0.00 0.00 5.08 -0.74 -0.41 114.58 119.70 3h53 h GLU 147 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3h53 h GLU 147 Cb 0.16 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3h53 h GLU 147 CO -0.02 0.53 0.00 0.91 -1.00 0.00 0.00 179.01 179.43 3h53 n TRP 148 N -4.35 0.40 -2.86 4.33 8.01 -0.21 -4.91 117.44 117.85 3h53 n TRP 148 Ca 0.03 0.14 -0.12 0.00 -1.31 0.00 0.00 57.50 56.24 3h53 n TRP 148 Cb 0.17 -0.73 0.03 0.00 -2.01 0.00 0.00 31.31 28.77 3h53 n TRP 148 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3h53 n LYS 149 N -1.85 -3.33 -2.17 -0.99 5.02 -0.16 -4.48 118.16 110.20 3h53 n LYS 149 Ca 0.04 0.45 -0.36 0.00 -2.02 0.00 0.00 58.31 56.42 3h53 n LYS 149 Cb 0.25 -4.33 0.01 0.00 -0.02 0.00 0.00 35.03 30.94 3h53 n LYS 149 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h53 s VAL 150 N -3.01 2.95 -0.20 -0.18 1.01 -0.64 -4.79 120.40 115.54 3h53 s VAL 150 Ca 0.23 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.89 3h53 s VAL 150 Cb -0.10 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 3h53 s VAL 150 CO 0.28 -0.10 0.22 0.47 0.00 0.00 0.00 175.10 175.97 3h53 n ASP 151 N -1.19 1.27 -3.73 3.32 8.00 0.12 -4.79 116.55 119.56 3h53 n ASP 151 Ca 0.11 -0.45 -0.14 0.00 0.71 0.00 0.00 54.79 55.03 3h53 n ASP 151 Cb 0.50 1.08 -0.09 0.00 -0.02 0.00 0.00 41.12 42.59 3h53 n ASP 151 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3h53 s MET 152 N -1.82 0.60 -0.07 -1.24 1.75 -1.00 -0.53 119.30 116.99 3h53 s MET 152 Ca 0.01 0.25 0.01 0.00 -1.25 0.00 0.00 55.69 54.71 3h53 s MET 152 Cb 0.04 0.28 0.02 0.00 2.84 0.00 0.00 34.83 38.01 3h53 s MET 152 CO 0.25 -0.13 -0.09 -1.17 -0.65 0.00 0.00 175.02 173.23 3h53 s LEU 153 N -0.50 1.43 -0.25 4.11 2.96 0.84 -0.59 118.68 126.68 3h53 s LEU 153 Ca -0.06 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.49 3h53 s LEU 153 Cb -0.04 -0.72 -0.05 0.00 0.50 0.00 0.00 46.19 45.88 3h53 s LEU 153 CO 0.03 -0.03 0.18 -0.75 -1.32 0.00 0.00 176.35 174.46 3h53 s LYS 154 N 0.99 4.04 -0.36 1.98 2.20 -0.36 -0.25 119.74 127.98 3h53 s LYS 154 Ca -0.09 -0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.24 3h53 s LYS 154 Cb -0.15 -3.57 0.08 0.00 -1.51 0.00 0.00 37.83 32.68 3h53 s LYS 154 CO 0.00 -0.01 0.12 -1.17 -0.36 0.00 0.00 175.35 173.93 3h53 s LEU 155 N 1.27 4.67 0.82 5.43 2.96 0.19 -1.54 118.68 132.49 3h53 s LEU 155 Ca 0.08 -1.67 -0.12 0.00 -0.22 0.00 0.00 54.13 52.20 3h53 s LEU 155 Cb -0.14 -1.79 0.09 0.00 0.50 0.00 0.00 46.19 44.84 3h53 s LEU 155 CO 0.06 -0.42 1.13 -0.62 -1.32 0.00 0.00 176.35 175.18 3h53 s ASP 156 N 1.57 4.30 -0.09 3.68 -1.08 0.12 -2.24 116.67 122.93 3h53 s ASP 156 Ca 0.03 1.07 0.20 0.00 -0.52 0.00 0.00 52.55 53.32 3h53 s ASP 156 Cb -0.21 -1.71 0.42 0.00 -1.46 0.00 0.00 42.92 39.96 3h53 s ASP 156 CO -0.02 -2.06 1.19 0.61 0.52 0.00 0.00 175.17 175.40 3h53 n GLY 157 N -2.50 2.70 3.78 2.66 0.00 -1.26 0.76 105.19 111.32 3h53 n GLY 157 Ca 0.07 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 3h53 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h53 n PHE 159 N -2.92 -1.92 -4.00 0.00 3.01 -1.26 -4.22 117.46 106.15 3h53 n PHE 159 Ca 0.09 0.83 -0.09 0.00 1.01 0.00 0.00 57.45 59.29 3h53 n PHE 159 Cb 0.53 -4.11 -0.08 0.00 -0.01 0.00 0.00 39.48 35.81 3h53 n PHE 159 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3h53 s SER 160 N -4.12 0.14 0.33 4.37 1.04 -1.26 -0.96 113.70 113.24 3h53 s SER 160 Ca 0.16 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 55.70 3h53 s SER 160 Cb -0.08 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 3h53 s SER 160 CO 0.84 -0.81 0.49 0.42 0.98 0.00 0.00 173.24 175.15 3h53 s THR 161 N -3.97 4.69 0.35 2.02 -4.23 -1.26 -4.99 115.64 108.26 3h53 s THR 161 Ca 0.16 -0.78 0.07 0.00 -1.18 0.00 0.00 61.69 59.96 3h53 s THR 161 Cb 0.05 -3.68 0.30 0.00 1.34 0.00 0.00 72.50 70.52 3h53 s THR 161 CO -0.02 -0.34 1.92 -0.65 -0.54 0.00 0.00 174.62 174.99 3h53 h PRO 162 N 0.86 0.74 -0.50 3.99 0.11 -1.99 -2.05 132.00 133.17 3h53 h PRO 162 Ca -0.49 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 3h53 h PRO 162 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3h53 h PRO 162 CO 0.58 0.49 -0.18 0.93 -0.21 0.00 0.00 178.00 179.61 3h53 h GLU 163 N 0.76 0.99 -0.62 1.05 5.08 -1.98 -1.55 114.58 118.30 3h53 h GLU 163 Ca 0.37 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3h53 h GLU 163 Cb 0.43 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3h53 h GLU 163 CO -0.14 1.07 0.13 0.93 -1.00 0.00 0.00 179.01 180.00 3h53 h GLU 164 N 0.86 0.98 -0.37 2.33 5.08 -1.82 -1.80 114.58 119.84 3h53 h GLU 164 Ca 0.12 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 3h53 h GLU 164 Cb 0.75 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3h53 h GLU 164 CO 0.06 0.88 -0.33 0.00 -1.00 0.00 0.00 179.01 178.62 3h53 h ARG 165 N 0.93 0.88 -0.06 2.33 3.08 -1.32 0.42 114.38 120.63 3h53 h ARG 165 Ca 0.20 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 3h53 h ARG 165 Cb 0.36 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3h53 h ARG 165 CO 0.00 1.10 0.00 0.00 -1.07 0.00 0.00 179.97 180.00 3h53 h ALA 166 N 0.77 1.89 0.10 0.04 0.00 -1.03 -2.05 119.26 118.97 3h53 h ALA 166 Ca 0.06 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 3h53 h ALA 166 Cb 0.92 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3h53 h ALA 166 CO 0.08 0.09 -1.62 1.96 0.00 0.00 0.00 179.25 179.77 3h53 h GLN 167 N 0.09 0.21 -0.14 0.00 4.20 -1.24 -3.41 115.11 114.81 3h53 h GLN 167 Ca 0.02 -0.36 -0.15 0.00 0.06 0.00 0.00 58.65 58.22 3h53 h GLN 167 Cb 0.06 0.13 0.01 0.00 0.30 0.00 0.00 27.48 27.98 3h53 h GLN 167 CO 0.00 1.17 -0.50 0.78 -0.67 0.00 0.00 178.83 179.61 3h53 h GLY 168 N 0.26 0.65 0.92 3.46 0.00 0.08 -2.05 103.07 106.39 3h53 h GLY 168 Ca -0.36 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.10 3h53 h GLY 168 CO 0.02 0.77 0.09 -0.97 0.00 0.00 0.00 176.54 176.45 3h53 h TYR 169 N 0.23 0.26 -0.03 5.60 0.05 -1.59 0.13 116.97 121.61 3h53 h TYR 169 Ca -0.02 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 3h53 h TYR 169 Cb 1.13 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 3h53 h TYR 169 CO 0.10 0.27 -0.27 -1.35 -1.05 0.00 0.00 178.16 175.86 3h53 h PRO 170 N 0.18 0.06 -0.50 4.88 0.11 -1.79 -2.20 132.00 132.74 3h53 h PRO 170 Ca 0.06 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 3h53 h PRO 170 Cb 0.10 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3h53 h PRO 170 CO -0.01 0.33 0.18 -0.22 -0.21 0.00 0.00 178.00 178.07 3h53 h LYS 171 N 0.05 0.76 -0.45 1.05 3.64 -0.69 -1.73 116.57 119.20 3h53 h LYS 171 Ca 0.01 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 3h53 h LYS 171 Cb 0.51 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3h53 h LYS 171 CO 0.04 0.69 -0.03 1.98 -2.27 0.00 0.00 179.45 179.86 3h53 h MET 172 N 0.67 0.82 -0.55 1.90 4.05 -0.62 -0.52 114.93 120.68 3h53 h MET 172 Ca 0.16 -0.28 0.04 0.00 -0.28 0.00 0.00 59.70 59.35 3h53 h MET 172 Cb 0.23 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 3h53 h MET 172 CO -0.01 0.89 0.31 0.00 0.23 0.00 0.00 176.91 178.33 3h53 h ALA 173 N 0.90 0.71 -0.39 0.39 0.00 -1.28 0.15 119.26 119.74 3h53 h ALA 173 Ca 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3h53 h ALA 173 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3h53 h ALA 173 CO 0.03 -0.01 0.16 0.00 0.00 0.00 0.00 179.25 179.43 3h53 h ALA 174 N 1.27 0.51 -0.42 0.00 0.00 -1.20 -2.02 119.26 117.39 3h53 h ALA 174 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h53 h ALA 174 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h53 h ALA 174 CO -0.14 0.10 0.26 0.00 0.00 0.00 0.00 179.25 179.48 3h53 h ALA 175 N 1.01 0.54 -0.49 0.00 0.00 -0.60 -1.06 119.26 118.65 3h53 h ALA 175 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h53 h ALA 175 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3h53 h ALA 175 CO -0.01 0.02 0.32 -0.07 0.00 0.00 0.00 179.25 179.51 3h53 h LEU 176 N 0.56 0.57 -0.62 0.00 3.38 -0.67 -2.62 115.31 115.90 3h53 h LEU 176 Ca 0.15 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3h53 h LEU 176 Cb -0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3h53 h LEU 176 CO -0.03 0.41 0.36 -1.13 0.09 0.00 0.00 178.44 178.14 3h53 h ASN 177 N 0.67 0.56 0.51 -0.43 -0.73 -1.06 -2.76 115.58 112.33 3h53 h ASN 177 Ca 0.18 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.35 3h53 h ASN 177 Cb -0.07 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.42 3h53 h ASN 177 CO -0.04 0.38 -0.09 0.00 -0.37 0.00 0.00 177.43 177.32 3h53 h ALA 178 N 1.30 1.15 0.00 1.57 0.00 -0.84 -2.21 119.26 120.22 3h53 h ALA 178 Ca 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3h53 h ALA 178 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h53 h ALA 178 CO -0.14 0.11 -0.17 1.79 0.00 0.00 0.00 179.25 180.83 3h53 h THR 179 N 0.00 0.57 0.00 0.00 1.35 -1.21 -3.47 112.91 110.16 3h53 h THR 179 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3h53 h THR 179 Cb 0.36 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3h53 h THR 179 CO 0.01 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 3h53 n GLY 180 N -0.32 2.67 3.68 5.82 0.00 -0.83 -5.02 105.19 111.18 3h53 n GLY 180 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3h53 n GLY 180 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h53 s ARG 181 N -0.38 4.30 -0.06 1.61 3.52 -1.26 -5.02 118.95 121.66 3h53 s ARG 181 Ca 0.00 0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 56.03 3h53 s ARG 181 Cb 0.00 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.79 3h53 s ARG 181 CO 0.00 -0.13 1.93 -2.14 -0.81 0.00 0.00 175.30 174.15 3h53 s PRO 182 N 1.51 3.91 -0.14 5.12 0.02 -1.26 -4.80 135.00 139.36 3h53 s PRO 182 Ca 0.32 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.65 3h53 s PRO 182 Cb -0.16 -4.16 0.04 0.00 0.02 0.00 0.00 34.50 30.23 3h53 s PRO 182 CO 0.13 -1.21 -0.03 0.42 -0.33 0.00 0.00 177.00 175.98 3h53 s ILE 183 N 5.24 0.80 0.24 2.83 1.01 -1.26 -4.76 121.20 125.30 3h53 s ILE 183 Ca 0.86 -0.37 -0.31 0.00 0.00 0.00 0.00 60.65 60.83 3h53 s ILE 183 Cb -0.37 -1.01 -0.11 0.00 0.01 0.00 0.00 42.46 40.98 3h53 s ILE 183 CO 0.37 0.13 1.59 0.00 0.00 0.00 0.00 174.94 177.03 3h53 s ALA 184 N 1.77 3.77 -0.28 9.38 0.00 0.31 -4.80 121.76 131.91 3h53 s ALA 184 Ca 0.02 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.47 3h53 s ALA 184 Cb -0.14 -3.64 0.05 0.00 0.00 0.00 0.00 23.12 19.39 3h53 s ALA 184 CO -0.07 -0.89 -0.04 0.12 0.00 0.00 0.00 175.76 174.87 3h53 s PHE 185 N 0.44 3.21 -0.27 0.00 5.36 -1.26 -0.11 117.98 125.35 3h53 s PHE 185 Ca 0.66 -1.90 -0.09 0.00 -0.96 0.00 0.00 56.93 54.64 3h53 s PHE 185 Cb -0.46 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 3h53 s PHE 185 CO 0.41 -0.81 0.13 0.45 -1.46 0.00 0.00 175.22 173.94 3h53 s SER 186 N 1.23 5.55 -0.15 6.13 0.15 0.65 -0.57 113.70 126.70 3h53 s SER 186 Ca -0.05 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 3h53 s SER 186 Cb -0.19 -2.02 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 3h53 s SER 186 CO -0.03 -0.05 -0.11 0.00 1.20 0.00 0.00 173.24 174.25 3h53 n SER 188 N 3.74 1.45 -0.38 0.00 7.64 -0.95 -0.93 113.62 124.19 3h53 n SER 188 Ca -0.18 -1.33 -0.07 0.00 1.01 0.00 0.00 58.87 58.30 3h53 n SER 188 Cb 0.52 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 3h53 n SER 188 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3h53 h TRP 189 N 2.12 -1.51 -0.10 1.43 7.01 -1.82 -1.87 115.95 121.22 3h53 h TRP 189 Ca 0.00 0.11 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 3h53 h TRP 189 Cb 0.54 0.79 -0.01 0.00 -2.10 0.00 0.00 29.16 28.38 3h53 h TRP 189 CO 0.00 -0.39 0.02 -1.00 -2.79 0.00 0.00 178.44 174.28 3h53 h PRO 190 N -0.03 0.14 -0.26 2.65 0.13 -1.82 -2.29 132.00 130.51 3h53 h PRO 190 Ca 0.24 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.37 3h53 h PRO 190 Cb 0.51 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 3h53 h PRO 190 CO -0.93 0.14 0.17 0.00 -0.23 0.00 0.00 178.00 177.15 3h53 h ALA 191 N 1.89 1.88 0.00 -0.56 0.00 -0.86 0.13 119.26 121.73 3h53 h ALA 191 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h53 h ALA 191 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3h53 h ALA 191 CO -0.00 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.00 3h53 n TYR 192 N -4.50 0.49 -0.25 0.00 4.01 -0.86 -3.61 117.16 112.44 3h53 n TYR 192 Ca 0.01 0.14 0.06 0.00 -0.16 0.00 0.00 57.90 57.95 3h53 n TYR 192 Cb 0.12 -0.73 0.16 0.00 -0.31 0.00 0.00 39.34 38.57 3h53 n TYR 192 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3h53 n GLU 193 N -1.90 2.88 -0.28 -0.72 -0.58 -0.46 -4.95 120.64 114.63 3h53 n GLU 193 Ca 0.06 -2.12 0.00 0.00 -0.42 0.00 0.00 57.16 54.68 3h53 n GLU 193 Cb 0.39 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 3h53 n GLU 193 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h53 n GLY 194 N 0.40 1.13 2.54 0.62 0.00 -1.06 -4.42 105.19 104.40 3h53 n GLY 194 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3h53 n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h53 n GLY 195 N -2.00 0.39 3.15 -0.02 0.00 0.32 -4.98 105.19 102.06 3h53 n GLY 195 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3h53 n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h53 s LEU 196 N 0.00 2.36 0.67 0.99 1.43 -1.26 -4.93 118.68 117.94 3h53 s LEU 196 Ca 0.00 -0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 3h53 s LEU 196 Cb 0.00 -0.30 0.01 0.00 0.03 0.00 0.00 46.19 45.92 3h53 s LEU 196 CO 0.00 -0.23 1.17 -2.16 0.23 0.00 0.00 176.35 175.36 3h53 s PRO 197 N -2.42 2.58 0.05 1.29 0.04 -1.23 -0.56 135.00 134.75 3h53 s PRO 197 Ca 0.01 1.64 0.27 0.00 0.04 0.00 0.00 61.00 62.96 3h53 s PRO 197 Cb -0.05 -1.90 0.91 0.00 0.04 0.00 0.00 34.50 33.50 3h53 s PRO 197 CO 0.00 -1.47 1.73 -0.35 0.04 0.00 0.00 177.00 176.95 3h53 n PRO 198 N -2.34 0.08 -0.16 0.56 -0.04 -1.26 -4.79 135.00 127.05 3h53 n PRO 198 Ca 0.12 0.05 -0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3h53 n PRO 198 Cb 0.51 -1.57 0.25 0.00 -0.04 0.00 0.00 33.50 32.65 3h53 n PRO 198 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h53 h ARG 199 N 0.00 0.88 -5.24 0.54 3.08 -1.83 -3.39 114.38 108.41 3h53 h ARG 199 Ca 0.00 -0.09 -0.61 0.00 0.07 0.00 0.00 59.98 59.35 3h53 h ARG 199 Cb 0.57 -0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.29 3h53 h ARG 199 CO 0.00 0.64 -0.53 0.08 -1.07 0.00 0.00 179.97 179.09 3h53 s VAL 200 N -5.60 5.07 -0.54 2.04 1.01 0.28 -5.00 120.40 117.65 3h53 s VAL 200 Ca -0.10 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 3h53 s VAL 200 Cb 0.17 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.38 3h53 s VAL 200 CO 0.78 0.43 0.42 -1.58 0.00 0.00 0.00 175.10 175.16 3h53 s GLN 201 N 0.49 2.67 0.39 2.72 0.74 -1.26 -3.49 119.66 121.92 3h53 s GLN 201 Ca 0.05 -1.94 0.18 0.00 0.05 0.00 0.00 55.36 53.70 3h53 s GLN 201 Cb -0.12 -4.00 0.80 0.00 1.10 0.00 0.00 33.01 30.79 3h53 s GLN 201 CO 0.00 -1.22 1.81 1.88 -0.55 0.00 0.00 175.29 177.21 3h53 h TYR 202 N 8.23 0.00 -0.64 1.67 0.05 -1.97 -2.22 116.97 122.09 3h53 h TYR 202 Ca -0.16 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.63 3h53 h TYR 202 Cb 1.06 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.76 3h53 h TYR 202 CO 0.70 0.35 0.42 0.66 -1.05 0.00 0.00 178.16 179.24 3h53 h SER 203 N 0.00 0.74 -0.08 3.88 4.64 -1.98 -1.17 113.55 119.58 3h53 h SER 203 Ca -0.00 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3h53 h SER 203 Cb 0.76 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3h53 h SER 203 CO 0.05 0.54 -0.02 0.25 -0.87 0.00 0.00 176.83 176.78 3h53 h LEU 204 N 0.87 0.16 -0.65 5.97 5.85 -1.89 -3.01 115.31 122.61 3h53 h LEU 204 Ca 0.23 -0.36 0.12 0.00 0.84 0.00 0.00 57.88 58.72 3h53 h LEU 204 Cb -0.10 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 40.80 3h53 h LEU 204 CO -0.05 0.48 0.18 -0.07 -0.34 0.00 0.00 178.44 178.64 3h53 h LEU 205 N -0.17 0.08 -1.52 2.25 3.38 -1.29 -0.53 115.31 117.52 3h53 h LEU 205 Ca 0.02 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3h53 h LEU 205 Cb 0.41 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3h53 h LEU 205 CO 0.01 0.04 0.37 0.00 0.09 0.00 0.00 178.44 178.95 3h53 h ALA 206 N 1.50 1.75 0.00 1.53 0.00 -1.23 0.16 119.26 122.97 3h53 h ALA 206 Ca 0.34 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 3h53 h ALA 206 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3h53 h ALA 206 CO -0.40 0.17 -0.61 -0.44 0.00 0.00 0.00 179.25 177.98 3h53 h ASP 207 N 0.62 0.00 0.00 0.00 5.19 -0.99 0.89 116.42 122.13 3h53 h ASP 207 Ca 0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3h53 h ASP 207 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 3h53 h ASP 207 CO -0.06 0.61 -1.34 2.30 -3.12 0.00 0.00 179.24 177.62 3h53 n ILE 208 N -3.46 0.00 -4.27 0.35 -5.35 -0.69 -4.39 119.36 101.55 3h53 n ILE 208 Ca 0.00 -0.27 -0.21 0.00 -0.27 0.00 0.00 62.75 62.00 3h53 n ILE 208 Cb 0.69 0.40 -0.12 0.00 -1.74 0.00 0.00 39.64 38.87 3h53 n ILE 208 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h53 h ASN 210 N 4.40 0.00 -4.84 0.00 -0.26 -0.98 -1.08 115.58 112.81 3h53 h ASN 210 Ca -0.42 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.34 3h53 h ASN 210 Cb 1.18 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.29 3h53 h ASN 210 CO 0.41 0.64 0.31 -1.48 -1.06 0.00 0.00 177.43 176.24 3h53 s LEU 211 N -6.51 -0.52 -0.07 1.61 2.34 -1.06 -1.02 118.68 113.46 3h53 s LEU 211 Ca 0.03 0.16 -0.05 0.00 0.06 0.00 0.00 54.13 54.33 3h53 s LEU 211 Cb 0.08 2.38 0.02 0.00 -0.56 0.00 0.00 46.19 48.11 3h53 s LEU 211 CO 0.77 -0.76 0.17 -1.66 -1.06 0.00 0.00 176.35 173.80 3h53 s TRP 212 N -2.91 -0.19 -0.48 3.48 -2.14 -0.82 -0.78 118.94 115.10 3h53 s TRP 212 Ca -0.00 0.48 -0.29 0.00 2.66 0.00 0.00 56.10 58.95 3h53 s TRP 212 Cb -0.01 0.03 0.02 0.00 -3.10 0.00 0.00 33.47 30.42 3h53 s TRP 212 CO -0.07 -0.12 1.24 1.03 -2.66 0.00 0.00 176.95 176.38 3h53 s ARG 213 N 0.43 3.63 0.22 3.25 1.81 -0.10 -0.81 118.95 127.37 3h53 s ARG 213 Ca -0.03 0.62 0.11 0.00 -1.72 0.00 0.00 55.73 54.72 3h53 s ARG 213 Cb -0.04 -3.97 0.07 0.00 -0.45 0.00 0.00 34.95 30.56 3h53 s ARG 213 CO -0.02 -1.51 1.44 -0.91 -0.68 0.00 0.00 175.30 173.62 3h53 h ASN 214 N 9.81 0.00 -1.80 0.23 4.21 -1.87 -2.52 115.58 123.64 3h53 h ASN 214 Ca -0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.26 3h53 h ASN 214 Cb 1.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 3h53 h ASN 214 CO 1.13 0.72 0.00 0.00 -1.29 0.00 0.00 177.43 177.99 3h53 n TYR 215 N -3.41 -0.14 -1.78 1.19 9.36 -1.26 -3.68 117.16 117.42 3h53 n TYR 215 Ca 0.00 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.85 3h53 n TYR 215 Cb 0.78 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.55 3h53 n TYR 215 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3h53 s ASP 216 N -0.94 4.79 0.17 2.98 1.01 -1.26 -4.84 116.67 118.58 3h53 s ASP 216 Ca 0.00 2.62 -0.33 0.00 0.71 0.00 0.00 52.55 55.55 3h53 s ASP 216 Cb 0.00 -2.62 -0.14 0.00 1.01 0.00 0.00 42.92 41.17 3h53 s ASP 216 CO 0.00 -1.88 1.47 0.47 0.21 0.00 0.00 175.17 175.44 3h53 n ASP 217 N -1.71 2.71 -4.77 0.27 8.00 -1.26 -4.91 116.55 114.88 3h53 n ASP 217 Ca 0.15 1.11 -0.38 0.00 0.71 0.00 0.00 54.79 56.38 3h53 n ASP 217 Cb 0.48 -1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.18 3h53 n ASP 217 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3h53 s ILE 218 N 0.51 3.12 0.28 0.53 2.07 -1.26 -5.06 121.20 121.39 3h53 s ILE 218 Ca 0.76 0.90 0.09 0.00 -1.41 0.00 0.00 60.65 60.99 3h53 s ILE 218 Cb -0.72 -3.48 -0.06 0.00 0.13 0.00 0.00 42.46 38.33 3h53 s ILE 218 CO 0.43 0.05 -0.12 -1.10 -1.91 0.00 0.00 174.94 172.29 3h53 s GLN 219 N -2.46 1.61 -1.12 3.50 -1.52 -1.26 -5.01 119.66 113.40 3h53 s GLN 219 Ca 0.60 -1.79 -0.16 0.00 -1.95 0.00 0.00 55.36 52.06 3h53 s GLN 219 Cb -0.30 -1.43 -0.06 0.00 -0.22 0.00 0.00 33.01 30.99 3h53 s GLN 219 CO 0.37 0.16 2.14 -3.47 -0.25 0.00 0.00 175.29 174.24 3h53 n ASP 220 N -0.61 3.73 -3.58 5.90 -0.08 -1.26 -4.66 116.55 115.99 3h53 n ASP 220 Ca -0.06 -2.70 -0.15 0.00 -1.51 0.00 0.00 54.79 50.37 3h53 n ASP 220 Cb 0.62 -1.36 -0.06 0.00 2.34 0.00 0.00 41.12 42.66 3h53 n ASP 220 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3h53 s SER 221 N 3.93 -0.48 0.25 1.67 1.04 -1.26 -3.96 113.70 114.88 3h53 s SER 221 Ca 0.52 0.33 -0.01 0.00 0.48 0.00 0.00 55.95 57.27 3h53 s SER 221 Cb 0.14 0.49 0.31 0.00 0.10 0.00 0.00 66.02 67.06 3h53 s SER 221 CO 0.01 -0.66 1.70 -0.25 0.98 0.00 0.00 173.24 175.01 3h53 h TRP 222 N 2.96 0.73 -0.81 5.02 -0.00 -1.87 -2.62 115.95 119.37 3h53 h TRP 222 Ca -0.30 -0.15 0.11 0.00 -0.00 0.00 0.00 58.89 58.55 3h53 h TRP 222 Cb 1.19 -0.18 -0.08 0.00 -0.00 0.00 0.00 29.16 30.09 3h53 h TRP 222 CO 0.38 0.80 0.44 2.35 -0.00 0.00 0.00 178.44 182.41 3h53 h TRP 223 N 0.59 0.79 -0.23 2.65 7.01 -1.95 0.21 115.95 125.01 3h53 h TRP 223 Ca 0.09 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 3h53 h TRP 223 Cb 0.64 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 3h53 h TRP 223 CO 0.03 0.28 0.06 1.03 -2.79 0.00 0.00 178.44 177.05 3h53 h SER 224 N 0.71 0.35 -0.31 2.65 0.87 -1.75 -0.95 113.55 115.12 3h53 h SER 224 Ca 0.41 -0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 3h53 h SER 224 Cb 0.44 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 3h53 h SER 224 CO -0.28 0.49 0.03 0.58 -0.53 0.00 0.00 176.83 177.12 3h53 h VAL 225 N 0.20 0.81 -0.82 2.23 2.07 -1.18 -2.22 116.25 117.33 3h53 h VAL 225 Ca 0.07 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3h53 h VAL 225 Cb 0.27 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3h53 h VAL 225 CO 0.00 0.02 0.44 -0.07 0.02 0.00 0.00 177.57 177.99 3h53 h LEU 226 N 0.13 1.03 -0.63 2.57 3.38 -0.80 -1.14 115.31 119.85 3h53 h LEU 226 Ca 0.15 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3h53 h LEU 226 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3h53 h LEU 226 CO -0.22 0.83 -0.36 0.77 0.09 0.00 0.00 178.44 179.54 3h53 h SER 227 N 1.15 0.71 -0.14 -0.43 4.64 -0.88 -0.23 113.55 118.37 3h53 h SER 227 Ca 0.29 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3h53 h SER 227 Cb 0.04 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3h53 h SER 227 CO -0.05 1.00 -0.01 0.40 -0.87 0.00 0.00 176.83 177.31 3h53 h ILE 228 N 0.56 1.26 -0.45 0.95 2.04 -1.20 -2.30 117.51 118.38 3h53 h ILE 228 Ca 0.05 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.08 3h53 h ILE 228 Cb 0.88 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 3h53 h ILE 228 CO 0.08 0.25 0.22 -0.07 0.00 0.00 0.00 178.15 178.64 3h53 h LEU 229 N -0.03 0.32 -0.44 1.44 3.38 -1.11 -0.97 115.31 117.91 3h53 h LEU 229 Ca 0.04 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3h53 h LEU 229 Cb 0.39 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3h53 h LEU 229 CO 0.01 0.23 0.19 -1.13 0.09 0.00 0.00 178.44 177.83 3h53 h ASN 230 N 0.45 0.25 -0.45 -0.43 -1.24 -1.02 0.14 115.58 113.28 3h53 h ASN 230 Ca 0.19 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 3h53 h ASN 230 Cb 0.10 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 3h53 h ASN 230 CO -0.14 0.18 0.11 -0.25 -1.29 0.00 0.00 177.43 176.04 3h53 h TRP 231 N 0.39 0.76 -0.37 0.67 7.01 -1.08 0.11 115.95 123.44 3h53 h TRP 231 Ca 0.20 -0.09 -0.07 0.00 2.11 0.00 0.00 58.89 61.04 3h53 h TRP 231 Cb 0.14 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 3h53 h TRP 231 CO -0.12 0.70 -0.05 0.74 -2.79 0.00 0.00 178.44 176.92 3h53 h PHE 232 N 0.60 0.64 -0.08 2.65 0.04 -0.94 -2.70 116.94 117.14 3h53 h PHE 232 Ca 0.14 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 3h53 h PHE 232 Cb 0.33 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3h53 h PHE 232 CO 0.02 0.64 -0.32 0.28 -0.60 0.00 0.00 178.31 178.33 3h53 h VAL 233 N 0.57 1.41 -0.84 -0.55 2.07 -0.65 -2.07 116.25 116.19 3h53 h VAL 233 Ca 0.11 -1.70 0.16 0.00 0.82 0.00 0.00 66.70 66.10 3h53 h VAL 233 Cb 0.43 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 3h53 h VAL 233 CO 0.02 0.49 0.55 -0.33 0.02 0.00 0.00 177.57 178.32 3h53 h GLU 234 N -0.10 0.49 -0.19 1.57 5.08 -0.74 -2.68 114.58 118.00 3h53 h GLU 234 Ca -0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3h53 h GLU 234 Cb 0.96 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3h53 h GLU 234 CO 0.07 0.33 -0.05 0.72 -1.00 0.00 0.00 179.01 179.07 3h53 n HIS 235 N -4.52 0.65 0.22 4.33 8.25 -1.03 -4.74 115.22 118.39 3h53 n HIS 235 Ca 0.17 -1.12 0.06 0.00 -0.26 0.00 0.00 57.72 56.57 3h53 n HIS 235 Cb 0.55 -0.31 0.50 0.00 1.12 0.00 0.00 29.99 31.86 3h53 n HIS 235 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 3h53 h GLN 236 N 1.07 0.00 -0.65 -0.41 3.07 -1.01 -0.88 115.11 116.30 3h53 h GLN 236 Ca 0.05 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.83 3h53 h GLN 236 Cb 1.34 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.86 3h53 h GLN 236 CO 0.18 0.23 0.43 -0.44 0.09 0.00 0.00 178.83 179.33 3h53 h ASP 237 N 0.00 0.64 0.15 0.06 3.32 -1.85 0.96 116.42 119.70 3h53 h ASP 237 Ca -0.00 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3h53 h ASP 237 Cb 0.44 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.86 3h53 h ASP 237 CO 0.03 0.44 -1.21 0.40 -1.72 0.00 0.00 179.24 177.18 3h53 h ILE 238 N 0.74 1.26 0.16 0.35 2.04 -1.77 -3.42 117.51 116.87 3h53 h ILE 238 Ca 0.27 -2.51 -0.32 0.00 1.00 0.00 0.00 64.86 63.29 3h53 h ILE 238 Cb 0.12 2.97 0.01 0.00 -0.74 0.00 0.00 36.82 39.18 3h53 h ILE 238 CO -0.08 0.74 -1.57 -0.07 0.00 0.00 0.00 178.15 177.17 3h53 h LEU 239 N -0.23 0.53 -0.34 1.44 3.38 -0.88 -3.37 115.31 115.83 3h53 h LEU 239 Ca -0.24 -0.71 0.04 0.00 0.09 0.00 0.00 57.88 57.07 3h53 h LEU 239 Cb 1.80 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 3h53 h LEU 239 CO 0.14 1.58 0.12 -0.61 0.09 0.00 0.00 178.44 179.77 3h53 h GLN 240 N 0.09 0.27 0.00 1.13 -0.00 -1.06 -3.01 115.11 112.52 3h53 h GLN 240 Ca -0.27 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.34 3h53 h GLN 240 Cb 2.06 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 29.48 3h53 h GLN 240 CO 0.19 0.18 -0.10 -1.35 0.00 0.00 0.00 178.83 177.74 3h53 h PRO 241 N 0.27 0.00 0.00 -2.39 0.11 -1.77 -3.13 132.00 125.09 3h53 h PRO 241 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3h53 h PRO 241 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3h53 h PRO 241 CO -0.15 0.10 -0.23 1.33 -0.21 0.00 0.00 178.00 178.84 3h53 n VAL 242 N -3.51 0.41 -3.02 3.15 0.24 -1.14 -4.84 118.33 109.62 3h53 n VAL 242 Ca -0.01 -0.23 -0.35 0.00 -2.04 0.00 0.00 64.34 61.71 3h53 n VAL 242 Cb 0.25 -0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 32.18 3h53 n VAL 242 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h53 s ALA 243 N -3.10 3.31 0.00 2.33 0.00 -1.18 -4.83 121.76 118.28 3h53 s ALA 243 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3h53 s ALA 243 Cb 0.14 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3h53 s ALA 243 CO 0.63 0.28 0.00 0.41 0.00 0.00 0.00 175.76 177.08 3h53 n GLY 244 N 0.30 -0.43 3.67 0.00 0.00 -0.39 -4.63 105.19 103.71 3h53 n GLY 244 Ca 0.01 -1.03 -0.56 0.00 0.00 0.00 0.00 46.02 44.43 3h53 n GLY 244 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h53 n PRO 245 N -0.28 1.10 -0.06 1.61 -0.02 -1.26 -0.78 135.00 135.31 3h53 n PRO 245 Ca 0.00 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3h53 n PRO 245 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3h53 n PRO 245 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h53 n GLY 246 N 3.61 1.25 3.02 -1.23 0.00 0.32 -4.89 105.19 107.27 3h53 n GLY 246 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 3h53 n GLY 246 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h53 s HIS 247 N -2.50 -1.36 0.07 1.61 -3.43 0.04 -1.49 115.29 108.22 3h53 s HIS 247 Ca 0.00 0.79 0.07 0.00 -0.80 0.00 0.00 55.06 55.12 3h53 s HIS 247 Cb 0.00 0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 31.22 3h53 s HIS 247 CO 0.00 -0.99 -0.15 -1.58 -2.00 0.00 0.00 174.74 170.02 3h53 s TRP 248 N 2.68 2.63 0.33 0.38 0.52 -0.19 -1.27 118.94 124.03 3h53 s TRP 248 Ca 0.11 -0.21 -0.28 0.00 0.02 0.00 0.00 56.10 55.75 3h53 s TRP 248 Cb -0.12 -1.45 -0.09 0.00 -1.15 0.00 0.00 33.47 30.66 3h53 s TRP 248 CO -0.26 0.33 1.14 -0.80 0.02 0.00 0.00 176.95 177.38 3h53 s ASN 249 N -1.75 6.94 -0.32 2.95 0.01 -1.26 -1.94 114.94 119.58 3h53 s ASN 249 Ca 0.17 2.33 0.02 0.00 -0.71 0.00 0.00 52.86 54.67 3h53 s ASN 249 Cb -0.11 -2.62 0.09 0.00 0.41 0.00 0.00 41.25 39.02 3h53 s ASN 249 CO 0.08 -0.38 0.04 -0.62 -1.51 0.00 0.00 177.10 174.72 3h53 s ASP 250 N -0.96 4.47 -0.00 -1.22 2.15 0.01 -4.36 116.67 116.76 3h53 s ASP 250 Ca 0.50 -1.88 0.01 0.00 0.43 0.00 0.00 52.55 51.61 3h53 s ASP 250 Cb -0.32 -1.39 0.04 0.00 -0.30 0.00 0.00 42.92 40.96 3h53 s ASP 250 CO 0.41 -0.36 1.03 -0.81 -0.17 0.00 0.00 175.17 175.26 3h53 n PRO 251 N 4.45 1.11 0.00 4.34 -0.04 -1.26 -3.30 135.00 140.31 3h53 n PRO 251 Ca -0.00 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3h53 n PRO 251 Cb 0.42 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 3h53 n PRO 251 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3h53 n ASP 252 N -0.35 0.00 -4.73 3.54 -0.08 -1.26 -4.77 116.55 108.89 3h53 n ASP 252 Ca 0.02 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.96 3h53 n ASP 252 Cb 0.05 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.59 3h53 n ASP 252 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3h53 s MET 253 N -0.75 2.23 0.21 -0.67 -1.94 -1.26 -4.87 119.30 112.26 3h53 s MET 253 Ca 0.00 1.58 -0.30 0.00 -1.71 0.00 0.00 55.69 55.27 3h53 s MET 253 Cb 0.00 -1.86 -0.08 0.00 2.01 0.00 0.00 34.83 34.89 3h53 s MET 253 CO 0.00 -1.72 1.00 -0.51 -0.01 0.00 0.00 175.02 173.77 3h53 s LEU 254 N -5.26 4.58 0.00 -0.03 1.43 -0.34 -4.96 118.68 114.09 3h53 s LEU 254 Ca 0.70 2.00 0.24 0.00 -1.03 0.00 0.00 54.13 56.04 3h53 s LEU 254 Cb -0.25 -3.61 0.28 0.00 0.03 0.00 0.00 46.19 42.64 3h53 s LEU 254 CO 0.46 0.00 1.27 0.18 0.23 0.00 0.00 176.35 178.50 3h53 n LEU 255 N 1.83 1.85 -4.70 1.79 4.77 -1.26 -3.49 117.00 117.79 3h53 n LEU 255 Ca -0.00 -0.64 -0.43 0.00 -0.03 0.00 0.00 56.01 54.91 3h53 n LEU 255 Cb 0.47 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3h53 n LEU 255 CO 0.51 0.34 1.40 -0.38 -1.33 0.00 0.00 177.39 177.93 3h53 n ILE 256 N -0.02 0.16 0.00 -0.08 5.41 -1.26 -1.86 119.36 121.71 3h53 n ILE 256 Ca 0.11 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.83 3h53 n ILE 256 Cb 0.45 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3h53 n ILE 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h53 n GLY 257 N 4.02 0.35 0.00 7.39 0.00 -1.26 -4.77 105.19 110.92 3h53 n GLY 257 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3h53 n GLY 257 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h53 n ASN 258 N 0.00 0.00 -0.04 1.61 3.02 -0.78 -4.75 115.26 114.32 3h53 n ASN 258 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 3h53 n ASN 258 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 3h53 n ASN 258 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h53 n PHE 259 N 0.00 0.00 0.08 3.10 3.72 -1.26 -4.77 117.46 118.33 3h53 n PHE 259 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3h53 n PHE 259 Cb 0.00 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.11 3h53 n PHE 259 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3h53 h GLY 260 N 1.66 0.00 -5.95 1.37 0.00 -1.90 -3.46 103.07 94.78 3h53 h GLY 260 Ca -0.21 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.49 3h53 h GLY 260 CO 0.01 0.00 -0.50 1.08 0.00 0.00 0.00 176.54 177.13 3h53 s LEU 261 N -5.78 4.20 1.04 3.11 1.43 -1.26 -4.27 118.68 117.14 3h53 s LEU 261 Ca -0.01 0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.25 3h53 s LEU 261 Cb 0.09 -2.05 0.21 0.00 0.03 0.00 0.00 46.19 44.46 3h53 s LEU 261 CO 0.79 0.28 1.13 -0.94 0.23 0.00 0.00 176.35 177.83 3h53 s SER 262 N -0.25 2.31 0.14 2.29 1.04 -1.26 -4.75 113.70 113.21 3h53 s SER 262 Ca 0.10 0.89 -0.21 0.00 0.48 0.00 0.00 55.95 57.21 3h53 s SER 262 Cb -0.12 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.65 3h53 s SER 262 CO 0.01 -3.29 1.67 0.25 0.98 0.00 0.00 173.24 172.86 3h53 h LEU 263 N -2.01 -0.40 -0.91 2.42 5.85 -1.99 0.11 115.31 118.39 3h53 h LEU 263 Ca -0.50 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.36 3h53 h LEU 263 Cb 1.31 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.50 3h53 h LEU 263 CO 0.50 -0.16 0.58 -0.33 -0.34 0.00 0.00 178.44 178.69 3h53 h GLU 264 N -0.11 1.05 -0.17 1.25 4.39 -1.92 -1.61 114.58 117.46 3h53 h GLU 264 Ca 0.11 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 3h53 h GLU 264 Cb 0.28 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3h53 h GLU 264 CO -0.27 0.69 -0.48 1.96 -1.16 0.00 0.00 179.01 179.75 3h53 h GLN 265 N 1.08 0.44 -0.36 2.33 4.20 -1.44 -0.90 115.11 120.46 3h53 h GLN 265 Ca 0.38 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 3h53 h GLN 265 Cb 0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3h53 h GLN 265 CO -0.15 0.83 0.03 0.77 -0.67 0.00 0.00 178.83 179.63 3h53 h SER 266 N 0.35 0.61 -0.19 1.46 0.02 -0.48 -1.24 113.55 114.08 3h53 h SER 266 Ca 0.02 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 3h53 h SER 266 Cb 0.97 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3h53 h SER 266 CO 0.09 0.75 -0.06 0.03 -1.14 0.00 0.00 176.83 176.49 3h53 h ARG 267 N 0.45 0.52 -0.14 3.45 3.08 -1.17 -2.68 114.38 117.89 3h53 h ARG 267 Ca 0.11 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3h53 h ARG 267 Cb 0.42 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3h53 h ARG 267 CO 0.01 0.59 0.02 0.00 -1.07 0.00 0.00 179.97 179.52 3h53 h ALA 268 N 1.46 0.18 -0.60 0.04 0.00 -0.88 -2.24 119.26 117.22 3h53 h ALA 268 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3h53 h ALA 268 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3h53 h ALA 268 CO 0.02 -0.15 0.31 0.37 0.00 0.00 0.00 179.25 179.80 3h53 h GLN 269 N -0.00 0.84 -0.14 0.00 4.15 -1.12 0.08 115.11 118.91 3h53 h GLN 269 Ca 0.04 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.37 3h53 h GLN 269 Cb 0.32 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 3h53 h GLN 269 CO 0.00 0.65 0.02 1.98 -1.93 0.00 0.00 178.83 179.55 3h53 h MET 270 N 0.81 0.07 -0.55 1.69 4.05 -1.47 0.17 114.93 119.70 3h53 h MET 270 Ca 0.21 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.57 3h53 h MET 270 Cb 0.07 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3h53 h MET 270 CO -0.03 0.05 0.15 0.00 0.23 0.00 0.00 176.91 177.30 3h53 h ALA 271 N 1.11 0.72 -0.12 0.39 0.00 -1.19 -1.71 119.26 118.46 3h53 h ALA 271 Ca 0.06 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 3h53 h ALA 271 Cb 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h53 h ALA 271 CO -0.10 0.40 -0.77 -0.07 0.00 0.00 0.00 179.25 178.72 3h53 h LEU 272 N 0.77 0.78 -1.15 0.00 3.38 -0.78 -1.57 115.31 116.74 3h53 h LEU 272 Ca 0.17 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 3h53 h LEU 272 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3h53 h LEU 272 CO -0.00 1.30 -0.07 -0.50 0.09 0.00 0.00 178.44 179.25 3h53 h TRP 273 N 0.44 0.54 -0.11 1.13 -0.00 -0.64 -2.47 115.95 114.85 3h53 h TRP 273 Ca -0.05 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.89 58.76 3h53 h TRP 273 Cb 1.38 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 30.39 3h53 h TRP 273 CO 0.07 0.57 0.00 1.15 -0.00 0.00 0.00 178.44 180.24 3h53 h THR 274 N 0.48 1.25 0.00 1.49 2.02 -1.08 -0.85 112.91 116.23 3h53 h THR 274 Ca 0.10 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 3h53 h THR 274 Cb 0.42 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3h53 h THR 274 CO 0.02 0.23 -0.02 -0.37 0.37 0.00 0.00 175.52 175.75 3h53 h VAL 275 N -0.08 0.06 -0.25 3.16 -1.51 -1.18 -2.06 116.25 114.39 3h53 h VAL 275 Ca 0.03 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3h53 h VAL 275 Cb 0.35 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3h53 h VAL 275 CO 0.01 0.02 0.00 0.18 -1.23 0.00 0.00 177.57 176.54 3h53 n LEU 276 N -3.13 1.78 -4.06 4.19 4.77 -0.94 0.10 117.00 119.70 3h53 n LEU 276 Ca -0.01 -0.81 -0.32 0.00 -0.03 0.00 0.00 56.01 54.85 3h53 n LEU 276 Cb 0.24 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3h53 n LEU 276 CO 0.26 0.40 -0.03 0.00 -1.33 0.00 0.00 177.39 176.69 3h53 n ALA 277 N 0.42 -1.45 -1.90 -1.18 0.00 -0.77 -4.61 120.51 111.02 3h53 n ALA 277 Ca 0.15 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 3h53 n ALA 277 Cb 0.32 -3.29 -0.01 0.00 0.00 0.00 0.00 19.45 16.47 3h53 n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h53 s ALA 278 N -3.45 3.12 0.58 0.00 0.00 -0.34 -4.74 121.76 116.93 3h53 s ALA 278 Ca 0.54 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 3h53 s ALA 278 Cb -0.29 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3h53 s ALA 278 CO 0.89 -0.45 1.17 -2.30 0.00 0.00 0.00 175.76 175.07 3h53 n PRO 279 N -2.18 1.25 -3.40 0.00 -0.02 -1.26 -4.82 135.00 124.56 3h53 n PRO 279 Ca 0.06 0.47 -0.39 0.00 -2.02 0.00 0.00 63.50 61.62 3h53 n PRO 279 Cb 0.54 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 3h53 n PRO 279 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3h53 n LEU 280 N -0.99 4.95 -4.32 2.45 4.77 -0.31 -4.90 117.00 118.65 3h53 n LEU 280 Ca 0.13 -5.17 -0.42 0.00 -0.03 0.00 0.00 56.01 50.52 3h53 n LEU 280 Cb 0.46 -1.17 -0.09 0.00 -2.33 0.00 0.00 43.42 40.29 3h53 n LEU 280 CO 0.51 1.60 -0.05 -0.76 -1.33 0.00 0.00 177.39 177.36 3h53 s LEU 281 N -1.82 5.36 0.66 2.23 1.43 -1.26 -1.59 118.68 123.68 3h53 s LEU 281 Ca 0.31 -1.42 -0.15 0.00 -1.03 0.00 0.00 54.13 51.83 3h53 s LEU 281 Cb -0.02 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 3h53 s LEU 281 CO -0.05 -0.58 1.12 -0.04 0.23 0.00 0.00 176.35 177.03 3h53 s MET 282 N 1.52 2.77 -0.41 1.70 -1.94 0.49 -1.20 119.30 122.22 3h53 s MET 282 Ca 0.03 1.45 0.05 0.00 -1.71 0.00 0.00 55.69 55.51 3h53 s MET 282 Cb -0.24 -1.94 0.17 0.00 2.01 0.00 0.00 34.83 34.83 3h53 s MET 282 CO 0.04 -1.29 0.48 0.45 -0.01 0.00 0.00 175.02 174.69 3h53 s SER 283 N -2.45 0.28 0.17 3.03 0.15 -1.23 0.20 113.70 113.85 3h53 s SER 283 Ca 0.68 -1.75 -0.23 0.00 0.70 0.00 0.00 55.95 55.35 3h53 s SER 283 Cb -0.22 0.87 0.06 0.00 -1.71 0.00 0.00 66.02 65.03 3h53 s SER 283 CO 0.41 -0.19 0.71 0.28 1.20 0.00 0.00 173.24 175.65 3h53 s THR 284 N 1.15 0.00 -0.73 6.45 -1.32 -1.26 -3.94 115.64 115.98 3h53 s THR 284 Ca 0.22 -0.34 -0.27 0.00 -1.21 0.00 0.00 61.69 60.09 3h53 s THR 284 Cb -0.08 -1.37 0.03 0.00 -1.51 0.00 0.00 72.50 69.57 3h53 s THR 284 CO -0.06 0.00 1.27 -0.62 -2.21 0.00 0.00 174.62 172.99 3h53 s ASP 285 N -2.78 6.16 0.20 8.08 -1.08 -1.26 -4.84 116.67 121.15 3h53 s ASP 285 Ca 0.05 -0.46 0.20 0.00 -0.52 0.00 0.00 52.55 51.82 3h53 s ASP 285 Cb -0.02 -2.55 0.87 0.00 -1.46 0.00 0.00 42.92 39.75 3h53 s ASP 285 CO -0.05 -1.82 1.60 0.18 0.52 0.00 0.00 175.17 175.60 3h53 n LEU 286 N 9.30 0.46 0.14 -1.34 4.77 -1.26 -2.03 117.00 127.05 3h53 n LEU 286 Ca 0.03 0.64 0.01 0.00 -0.03 0.00 0.00 56.01 56.65 3h53 n LEU 286 Cb 0.49 -0.60 0.10 0.00 -2.33 0.00 0.00 43.42 41.08 3h53 n LEU 286 CO 0.71 -0.56 0.46 0.03 -1.33 0.00 0.00 177.39 176.70 3h53 h ARG 287 N 0.00 0.00 0.00 3.23 3.08 -1.93 -3.34 114.38 115.41 3h53 h ARG 287 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h53 h ARG 287 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3h53 h ARG 287 CO 0.00 0.59 0.00 0.25 -1.07 0.00 0.00 179.97 179.74 3h53 n THR 288 N -3.39 0.23 -1.66 2.04 -2.24 -1.04 -5.07 114.28 103.14 3h53 n THR 288 Ca 0.01 -0.52 -0.45 0.00 -2.27 0.00 0.00 64.05 60.82 3h53 n THR 288 Cb 0.71 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 3h53 n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h53 n ILE 289 N -0.12 0.83 -1.88 2.28 3.06 -0.86 -4.95 119.36 117.72 3h53 n ILE 289 Ca 0.00 -0.21 -0.33 0.00 -2.50 0.00 0.00 62.75 59.71 3h53 n ILE 289 Cb 0.12 -1.42 0.03 0.00 0.54 0.00 0.00 39.64 38.91 3h53 n ILE 289 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3h53 s SER 290 N 0.34 5.30 0.39 9.51 1.04 -1.26 -4.86 113.70 124.15 3h53 s SER 290 Ca 0.70 2.00 0.06 0.00 0.48 0.00 0.00 55.95 59.19 3h53 s SER 290 Cb -0.67 -2.55 0.79 0.00 0.10 0.00 0.00 66.02 63.69 3h53 s SER 290 CO 0.48 -1.50 2.02 0.00 0.98 0.00 0.00 173.24 175.22 3h53 h ALA 291 N 0.28 1.69 -0.36 5.32 0.00 -1.99 -0.36 119.26 123.84 3h53 h ALA 291 Ca -0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3h53 h ALA 291 Cb 1.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3h53 h ALA 291 CO 0.55 0.26 0.14 0.37 0.00 0.00 0.00 179.25 180.57 3h53 h GLN 292 N 0.66 0.54 -0.23 0.00 4.15 -2.00 -0.57 115.11 117.67 3h53 h GLN 292 Ca 0.21 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.39 3h53 h GLN 292 Cb 0.04 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3h53 h GLN 292 CO -0.05 0.52 -0.48 -0.91 -1.93 0.00 0.00 178.83 175.98 3h53 h ASN 293 N 0.44 0.66 -0.82 -0.69 2.35 -1.85 -3.01 115.58 112.65 3h53 h ASN 293 Ca 0.12 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3h53 h ASN 293 Cb 0.19 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 3h53 h ASN 293 CO -0.01 1.03 0.53 -0.03 -1.65 0.00 0.00 177.43 177.31 3h53 h MET 294 N 0.48 1.09 -0.40 0.81 4.05 -0.91 -2.52 114.93 117.53 3h53 h MET 294 Ca 0.03 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3h53 h MET 294 Cb 1.01 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 3h53 h MET 294 CO 0.09 0.73 0.24 -0.44 0.23 0.00 0.00 176.91 177.76 3h53 h ASP 295 N 1.11 0.47 0.31 1.39 3.32 -1.01 0.48 116.42 122.50 3h53 h ASP 295 Ca 0.30 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 3h53 h ASP 295 Cb -0.11 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3h53 h ASP 295 CO -0.06 0.37 -0.15 0.40 -1.72 0.00 0.00 179.24 178.07 3h53 h ILE 296 N 0.55 0.69 0.00 0.35 2.04 -1.35 -2.77 117.51 117.03 3h53 h ILE 296 Ca 0.15 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 3h53 h ILE 296 Cb -0.02 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3h53 h ILE 296 CO -0.03 0.11 -0.35 -0.07 0.00 0.00 0.00 178.15 177.81 3h53 h LEU 297 N -0.74 0.00 -2.87 1.44 3.38 -1.12 -3.00 115.31 112.40 3h53 h LEU 297 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h53 h LEU 297 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3h53 h LEU 297 CO 0.07 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3h53 n GLN 298 N -3.66 2.99 -1.61 1.13 6.02 0.13 -4.92 117.38 117.45 3h53 n GLN 298 Ca -0.01 -2.61 -0.47 0.00 -0.01 0.00 0.00 57.00 53.90 3h53 n GLN 298 Cb 0.46 -1.59 -0.05 0.00 1.02 0.00 0.00 30.24 30.08 3h53 n GLN 298 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3h53 n ASN 299 N 1.28 3.17 -0.19 1.08 2.85 -1.04 -4.88 115.26 117.53 3h53 n ASN 299 Ca 0.22 0.63 -0.10 0.00 -0.11 0.00 0.00 54.58 55.23 3h53 n ASN 299 Cb 0.65 -1.41 0.02 0.00 1.24 0.00 0.00 39.78 40.28 3h53 n ASN 299 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3h53 h PRO 300 N 11.63 0.99 -0.47 1.20 0.11 -1.92 -1.92 132.00 141.62 3h53 h PRO 300 Ca -0.42 -0.32 -0.13 0.00 0.11 0.00 0.00 66.00 65.24 3h53 h PRO 300 Cb 1.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3h53 h PRO 300 CO 0.97 1.00 -0.24 1.25 -0.21 0.00 0.00 178.00 180.77 3h53 h LEU 301 N 0.88 1.00 -0.40 2.35 5.85 -1.90 -1.24 115.31 121.85 3h53 h LEU 301 Ca 0.16 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3h53 h LEU 301 Cb 0.55 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3h53 h LEU 301 CO 0.03 1.18 0.17 -0.03 -0.34 0.00 0.00 178.44 179.45 3h53 h MET 302 N 0.83 0.34 -0.53 1.25 4.05 -1.83 -1.38 114.93 117.67 3h53 h MET 302 Ca 0.10 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 3h53 h MET 302 Cb 0.81 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 3h53 h MET 302 CO 0.07 0.23 0.12 0.82 0.23 0.00 0.00 176.91 178.38 3h53 h ILE 303 N 0.35 1.24 -0.60 1.77 2.04 -1.23 -0.82 117.51 120.27 3h53 h ILE 303 Ca 0.18 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.23 3h53 h ILE 303 Cb 0.12 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3h53 h ILE 303 CO -0.15 0.32 0.27 0.50 0.00 0.00 0.00 178.15 179.09 3h53 h LYS 304 N 0.74 0.49 -0.04 2.37 3.64 -0.95 0.99 116.57 123.82 3h53 h LYS 304 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3h53 h LYS 304 Cb 0.35 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3h53 h LYS 304 CO 0.00 0.32 0.01 0.82 -2.27 0.00 0.00 179.45 178.33 3h53 h ILE 305 N 0.50 1.20 -0.68 2.00 2.04 -0.95 -2.09 117.51 119.52 3h53 h ILE 305 Ca 0.28 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.63 3h53 h ILE 305 Cb 0.27 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.82 3h53 h ILE 305 CO -0.24 0.16 0.34 -1.13 0.00 0.00 0.00 178.15 177.29 3h53 h ASN 306 N -0.18 0.46 -0.25 1.72 -0.73 -0.85 -2.35 115.58 113.40 3h53 h ASN 306 Ca 0.01 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.24 3h53 h ASN 306 Cb 0.25 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.82 3h53 h ASN 306 CO 0.00 0.27 0.00 0.00 -0.37 0.00 0.00 177.43 177.33 3h53 n GLN 307 N -4.86 2.30 -1.67 6.67 1.13 0.32 -4.61 117.38 116.66 3h53 n GLN 307 Ca 0.10 -1.19 -0.46 0.00 -1.94 0.00 0.00 57.00 53.51 3h53 n GLN 307 Cb 0.25 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 28.92 3h53 n GLN 307 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3h53 n ASP 308 N 0.28 2.99 0.14 1.08 2.03 -0.80 -4.87 116.55 117.40 3h53 n ASP 308 Ca 0.11 1.10 0.13 0.00 0.52 0.00 0.00 54.79 56.65 3h53 n ASP 308 Cb 0.52 -1.43 0.65 0.00 -0.72 0.00 0.00 41.12 40.15 3h53 n ASP 308 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3h53 h PRO 309 N 5.35 0.02 0.00 -0.67 0.11 -1.92 -2.06 132.00 132.83 3h53 h PRO 309 Ca -0.45 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3h53 h PRO 309 Cb 1.26 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3h53 h PRO 309 CO 0.84 0.01 -0.34 -0.07 -0.21 0.00 0.00 178.00 178.24 3h53 h LEU 310 N 0.02 0.00 0.44 2.35 3.38 -1.92 -3.46 115.31 116.11 3h53 h LEU 310 Ca 0.11 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.67 3h53 h LEU 310 Cb 0.42 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.23 3h53 h LEU 310 CO -0.00 0.34 -0.63 0.61 0.09 0.00 0.00 178.44 178.84 3h53 n GLY 311 N -0.46 -0.53 3.59 0.83 0.00 -0.78 -4.58 105.19 103.26 3h53 n GLY 311 Ca -0.02 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3h53 n GLY 311 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h53 s ILE 312 N -3.20 4.93 0.31 -0.61 1.01 -1.26 -3.78 121.20 118.60 3h53 s ILE 312 Ca 0.40 0.75 -0.29 0.00 0.00 0.00 0.00 60.65 61.50 3h53 s ILE 312 Cb -0.18 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 3h53 s ILE 312 CO 0.49 -0.20 1.40 -1.58 0.00 0.00 0.00 174.94 175.05 3h53 s GLN 313 N 2.63 4.27 0.95 2.79 0.74 -1.26 -4.59 119.66 125.18 3h53 s GLN 313 Ca 0.25 2.32 -0.16 0.00 0.05 0.00 0.00 55.36 57.82 3h53 s GLN 313 Cb -0.15 -3.06 0.22 0.00 1.10 0.00 0.00 33.01 31.12 3h53 s GLN 313 CO 0.13 -0.35 1.21 0.41 -0.55 0.00 0.00 175.29 176.14 3h53 n GLY 314 N 1.28 -1.66 3.14 2.59 0.00 0.11 -4.82 105.19 105.83 3h53 n GLY 314 Ca 0.03 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 3h53 n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h53 s ARG 315 N -5.66 0.64 -0.13 1.61 0.52 -0.43 -4.80 118.95 110.70 3h53 s ARG 315 Ca 0.70 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 3h53 s ARG 315 Cb -0.02 0.25 -0.02 0.00 0.52 0.00 0.00 34.95 35.68 3h53 s ARG 315 CO 0.50 -0.17 1.19 0.50 0.02 0.00 0.00 175.30 177.34 3h53 s ARG 316 N -2.70 4.29 -0.02 3.54 3.52 -1.26 -0.55 118.95 125.78 3h53 s ARG 316 Ca -0.04 1.60 0.17 0.00 -0.13 0.00 0.00 55.73 57.33 3h53 s ARG 316 Cb -0.01 -3.66 -0.25 0.00 -1.56 0.00 0.00 34.95 29.47 3h53 s ARG 316 CO -0.05 -0.57 0.42 0.44 -0.81 0.00 0.00 175.30 174.73 3h53 n ILE 317 N 5.03 0.00 -3.80 4.11 -5.35 0.49 -4.95 119.36 114.89 3h53 n ILE 317 Ca 0.12 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 3h53 n ILE 317 Cb 0.46 0.23 -0.12 0.00 -1.74 0.00 0.00 39.64 38.47 3h53 n ILE 317 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3h53 s HIS 318 N -3.10 -0.24 -0.02 4.28 2.46 -1.06 -5.00 115.29 112.61 3h53 s HIS 318 Ca -0.05 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.06 3h53 s HIS 318 Cb 0.11 0.08 0.03 0.00 -0.13 0.00 0.00 32.58 32.67 3h53 s HIS 318 CO 0.71 -0.11 0.02 0.21 -2.47 0.00 0.00 174.74 173.09 3h53 s LYS 319 N 0.13 0.10 0.27 2.88 2.20 -1.26 -1.32 119.74 122.74 3h53 s LYS 319 Ca -0.00 0.15 0.11 0.00 -0.36 0.00 0.00 55.97 55.87 3h53 s LYS 319 Cb -0.02 -0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 35.90 3h53 s LYS 319 CO 0.00 -0.16 -0.15 -1.21 -0.36 0.00 0.00 175.35 173.47 3h53 s GLU 320 N 1.11 1.84 0.59 4.03 2.02 -0.89 -5.02 118.70 122.36 3h53 s GLU 320 Ca -0.09 -1.66 0.36 0.00 0.02 0.00 0.00 54.97 53.61 3h53 s GLU 320 Cb -0.13 -1.88 1.77 0.00 0.10 0.00 0.00 34.13 33.99 3h53 s GLU 320 CO -0.03 0.34 2.14 1.57 0.02 0.00 0.00 175.26 179.31 3h53 h LYS 321 N 2.22 0.00 0.00 1.61 2.10 -2.02 -1.03 116.57 119.45 3h53 h LYS 321 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 3h53 h LYS 321 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3h53 h LYS 321 CO 0.59 0.03 0.00 -1.13 -2.00 0.00 0.00 179.45 176.94 3h53 n SER 322 N -3.20 0.00 -0.79 7.07 3.41 -1.26 -4.86 113.62 113.99 3h53 n SER 322 Ca -0.01 -0.28 -0.10 0.00 -0.26 0.00 0.00 58.87 58.22 3h53 n SER 322 Cb 0.21 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 3h53 n SER 322 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h53 n LEU 323 N -1.11 -0.68 -4.73 1.04 4.77 -0.39 -4.73 117.00 111.16 3h53 n LEU 323 Ca 0.10 0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.95 3h53 n LEU 323 Cb 0.08 -1.80 -0.05 0.00 -2.33 0.00 0.00 43.42 39.32 3h53 n LEU 323 CO 0.10 -0.60 0.29 -0.63 -1.33 0.00 0.00 177.39 175.22 3h53 s ILE 324 N -2.32 5.08 0.09 -0.08 -1.09 -1.26 -1.30 121.20 120.33 3h53 s ILE 324 Ca 0.00 1.21 0.07 0.00 -2.23 0.00 0.00 60.65 59.71 3h53 s ILE 324 Cb 0.00 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3h53 s ILE 324 CO 0.00 0.31 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.28 3h53 s GLU 325 N 0.55 2.06 -0.13 2.79 2.02 0.98 -2.11 118.70 124.86 3h53 s GLU 325 Ca 0.32 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 54.29 3h53 s GLU 325 Cb -0.17 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 31.82 3h53 s GLU 325 CO 0.15 0.51 -0.20 0.08 0.02 0.00 0.00 175.26 175.82 3h53 s VAL 326 N -1.14 1.93 0.03 2.63 1.01 -0.43 -0.24 120.40 124.18 3h53 s VAL 326 Ca 0.19 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3h53 s VAL 326 Cb -0.11 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3h53 s VAL 326 CO 0.11 0.52 0.01 -0.31 0.00 0.00 0.00 175.10 175.43 3h53 s TYR 327 N 0.86 3.06 -0.03 5.22 1.51 0.22 -0.38 117.35 127.82 3h53 s TYR 327 Ca -0.07 0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 3h53 s TYR 327 Cb -0.15 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3h53 s TYR 327 CO -0.02 0.47 -0.03 1.41 -1.11 0.00 0.00 175.55 176.27 3h53 s MET 328 N -1.80 0.58 -0.16 -0.62 1.75 0.29 -1.37 119.30 117.97 3h53 s MET 328 Ca 0.22 -0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.63 3h53 s MET 328 Cb -0.12 -0.65 0.02 0.00 2.84 0.00 0.00 34.83 36.92 3h53 s MET 328 CO 0.13 -0.09 -0.17 0.50 -0.65 0.00 0.00 175.02 174.74 3h53 s ARG 329 N 0.88 2.67 0.33 4.11 3.52 -0.33 -1.32 118.95 128.82 3h53 s ARG 329 Ca -0.10 -0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 54.50 3h53 s ARG 329 Cb -0.13 -2.34 -0.10 0.00 -1.56 0.00 0.00 34.95 30.81 3h53 s ARG 329 CO -0.01 -0.21 1.31 -2.14 -0.81 0.00 0.00 175.30 173.45 3h53 s PRO 330 N 1.35 4.35 0.30 5.12 0.02 -1.26 -0.96 135.00 143.91 3h53 s PRO 330 Ca 0.04 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.32 3h53 s PRO 330 Cb -0.13 -3.07 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 3h53 s PRO 330 CO -0.11 -0.20 0.08 -0.51 -0.33 0.00 0.00 177.00 175.93 3h53 s LEU 331 N -1.79 1.93 0.79 -5.54 1.43 0.00 -4.62 118.68 110.88 3h53 s LEU 331 Ca 0.49 -1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.08 3h53 s LEU 331 Cb -0.40 -0.19 0.07 0.00 0.03 0.00 0.00 46.19 45.70 3h53 s LEU 331 CO 0.53 -0.68 1.12 -0.94 0.23 0.00 0.00 176.35 176.62 3h53 s SER 332 N -3.41 4.12 -1.44 2.29 1.04 -1.26 -3.58 113.70 111.46 3h53 s SER 332 Ca 0.37 1.99 -0.08 0.00 0.48 0.00 0.00 55.95 58.71 3h53 s SER 332 Cb 0.08 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.67 3h53 s SER 332 CO 0.15 -2.29 0.98 0.59 0.98 0.00 0.00 173.24 173.64 3h53 n ASN 333 N -3.50 -6.15 -0.43 7.02 3.02 -1.26 -2.62 115.26 111.34 3h53 n ASN 333 Ca 0.10 -0.48 -0.06 0.00 -0.03 0.00 0.00 54.58 54.12 3h53 n ASN 333 Cb 0.52 -4.89 -0.02 0.00 -0.61 0.00 0.00 39.78 34.78 3h53 n ASN 333 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3h53 n LYS 334 N -4.66 -1.38 -2.49 3.52 4.76 -1.25 -4.85 118.16 111.81 3h53 n LYS 334 Ca -0.03 0.62 -0.27 0.00 -2.87 0.00 0.00 58.31 55.77 3h53 n LYS 334 Cb 0.58 -4.77 0.02 0.00 -1.84 0.00 0.00 35.03 29.01 3h53 n LYS 334 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h53 s ALA 335 N -1.71 3.36 0.04 7.82 0.00 -1.08 -4.51 121.76 125.68 3h53 s ALA 335 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 3h53 s ALA 335 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 3h53 s ALA 335 CO 0.00 -0.67 0.02 -1.12 0.00 0.00 0.00 175.76 173.99 3h53 s SER 336 N -4.25 0.32 -0.13 0.00 0.01 0.64 -0.82 113.70 109.46 3h53 s SER 336 Ca 0.52 -0.72 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 3h53 s SER 336 Cb -0.10 0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 3h53 s SER 336 CO 0.45 -0.50 -0.08 0.00 0.41 0.00 0.00 173.24 173.51 3h53 s ALA 337 N -2.92 2.85 -0.11 1.44 0.00 -0.14 -0.08 121.76 122.81 3h53 s ALA 337 Ca -0.02 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.11 3h53 s ALA 337 Cb 0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 3h53 s ALA 337 CO -0.06 0.27 -0.19 -0.51 0.00 0.00 0.00 175.76 175.27 3h53 s LEU 338 N 0.21 2.40 -0.21 0.00 1.43 -0.01 -1.19 118.68 121.30 3h53 s LEU 338 Ca -0.05 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3h53 s LEU 338 Cb -0.14 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3h53 s LEU 338 CO 0.04 0.18 -0.14 -0.69 0.23 0.00 0.00 176.35 175.96 3h53 s VAL 339 N 0.24 2.40 -0.32 -1.59 1.01 -0.47 -0.22 120.40 121.45 3h53 s VAL 339 Ca -0.12 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 3h53 s VAL 339 Cb -0.16 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3h53 s VAL 339 CO 0.07 0.40 0.32 -0.36 0.00 0.00 0.00 175.10 175.53 3h53 s PHE 340 N 1.30 3.22 -0.15 5.22 0.08 0.45 -0.61 117.98 127.49 3h53 s PHE 340 Ca 0.03 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.15 3h53 s PHE 340 Cb -0.15 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.74 3h53 s PHE 340 CO -0.09 -0.34 -0.19 0.12 -0.10 0.00 0.00 175.22 174.62 3h53 s PHE 341 N 1.95 2.53 -0.31 0.36 5.99 0.67 -0.74 117.98 128.42 3h53 s PHE 341 Ca 0.11 -1.39 -0.15 0.00 0.00 0.00 0.00 56.93 55.51 3h53 s PHE 341 Cb -0.16 -1.76 -0.02 0.00 0.00 0.00 0.00 43.02 41.07 3h53 s PHE 341 CO 0.11 -0.68 0.35 0.45 -0.00 0.00 0.00 175.22 175.45 3h53 s SER 342 N 1.15 6.19 0.00 6.13 0.15 -0.38 -0.01 113.70 126.93 3h53 s SER 342 Ca 0.00 -0.03 0.16 0.00 0.70 0.00 0.00 55.95 56.78 3h53 s SER 342 Cb -0.14 -2.20 0.50 0.00 -1.71 0.00 0.00 66.02 62.47 3h53 s SER 342 CO -0.08 -0.26 1.39 0.00 1.20 0.00 0.00 173.24 175.49 3h53 s ARG 344 N -1.60 2.81 -0.15 0.00 0.52 -1.26 -4.80 118.95 114.48 3h53 s ARG 344 Ca 0.29 1.53 0.16 0.00 -0.52 0.00 0.00 55.73 57.19 3h53 s ARG 344 Cb 0.15 -1.94 0.43 0.00 0.52 0.00 0.00 34.95 34.11 3h53 s ARG 344 CO 0.21 -1.27 1.20 0.25 0.02 0.00 0.00 175.30 175.72 3h53 n THR 345 N -2.18 1.49 -0.00 0.02 -2.24 -1.26 -2.79 114.28 107.32 3h53 n THR 345 Ca 0.11 -2.57 -0.00 0.00 -2.27 0.00 0.00 64.05 59.32 3h53 n THR 345 Cb 0.51 0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3h53 n THR 345 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h53 n ASP 346 N -0.56 0.08 -3.49 3.42 5.75 -1.26 -5.08 116.55 115.42 3h53 n ASP 346 Ca 0.16 0.01 -0.06 0.00 -0.01 0.00 0.00 54.79 54.89 3h53 n ASP 346 Cb 0.86 -0.22 -0.00 0.00 -1.03 0.00 0.00 41.12 40.73 3h53 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h53 s MET 347 N -1.08 1.76 0.38 0.11 0.23 -1.26 -4.97 119.30 114.47 3h53 s MET 347 Ca -0.01 -1.05 -0.26 0.00 -1.03 0.00 0.00 55.69 53.34 3h53 s MET 347 Cb 0.00 0.55 -0.12 0.00 -1.53 0.00 0.00 34.83 33.73 3h53 s MET 347 CO 0.01 -0.82 1.08 -2.30 -2.03 0.00 0.00 175.02 170.96 3h53 n PRO 348 N -0.51 1.54 -5.11 3.16 -0.02 -1.26 -4.26 135.00 128.53 3h53 n PRO 348 Ca -0.06 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.67 3h53 n PRO 348 Cb 0.60 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.84 3h53 n PRO 348 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3h53 s TYR 349 N -1.19 2.28 -0.64 6.00 5.04 0.27 -4.94 117.35 124.18 3h53 s TYR 349 Ca 0.60 -0.82 -0.24 0.00 -2.44 0.00 0.00 57.07 54.18 3h53 s TYR 349 Cb -0.59 -1.53 0.06 0.00 0.35 0.00 0.00 41.96 40.25 3h53 s TYR 349 CO 0.59 -0.31 1.01 1.03 -1.34 0.00 0.00 175.55 176.52 3h53 s ARG 350 N 0.19 3.19 -0.29 4.97 0.52 -1.26 -1.06 118.95 125.21 3h53 s ARG 350 Ca -0.12 -0.56 -0.20 0.00 -0.52 0.00 0.00 55.73 54.33 3h53 s ARG 350 Cb -0.16 -4.17 -0.01 0.00 0.52 0.00 0.00 34.95 31.13 3h53 s ARG 350 CO 0.06 -1.77 0.61 -0.47 0.02 0.00 0.00 175.30 173.75 3h53 s TYR 351 N 4.29 3.24 -0.23 -0.53 5.04 0.59 -4.92 117.35 124.84 3h53 s TYR 351 Ca 0.27 0.63 -0.09 0.00 -2.44 0.00 0.00 57.07 55.44 3h53 s TYR 351 Cb -0.14 -2.91 -0.04 0.00 0.35 0.00 0.00 41.96 39.22 3h53 s TYR 351 CO 0.14 -0.41 0.11 -1.01 -1.34 0.00 0.00 175.55 173.04 3h53 s HIS 352 N 2.53 3.24 0.02 4.97 3.76 -1.26 -1.30 115.29 127.26 3h53 s HIS 352 Ca 0.25 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 55.19 3h53 s HIS 352 Cb -0.15 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.33 3h53 s HIS 352 CO 0.11 -0.00 0.04 0.45 -0.85 0.00 0.00 174.74 174.49 3h53 n SER 353 N 4.21 -0.12 -3.59 1.40 2.88 -0.45 -5.00 113.62 112.95 3h53 n SER 353 Ca -0.16 -1.11 -0.15 0.00 -1.33 0.00 0.00 58.87 56.13 3h53 n SER 353 Cb 0.52 0.21 -0.06 0.00 -0.75 0.00 0.00 64.21 64.13 3h53 n SER 353 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3h53 s SER 354 N -1.13 -0.45 0.43 -3.46 1.04 -1.26 -0.55 113.70 108.31 3h53 s SER 354 Ca 0.01 0.26 0.09 0.00 0.48 0.00 0.00 55.95 56.80 3h53 s SER 354 Cb -0.00 0.48 0.94 0.00 0.10 0.00 0.00 66.02 67.53 3h53 s SER 354 CO 0.01 -0.67 2.06 -0.07 0.98 0.00 0.00 173.24 175.55 3h53 h LEU 355 N 2.95 0.40 -1.11 2.42 3.38 -1.74 -1.71 115.31 119.90 3h53 h LEU 355 Ca -0.30 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.67 3h53 h LEU 355 Cb 1.19 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 3h53 h LEU 355 CO 0.41 0.28 0.60 1.23 0.09 0.00 0.00 178.44 181.05 3h53 h GLY 356 N 0.47 1.28 2.00 0.83 0.00 -0.97 -1.15 103.07 105.52 3h53 h GLY 356 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3h53 h GLY 356 CO -0.04 0.47 0.00 -1.06 0.00 0.00 0.00 176.54 175.91 3h53 n GLN 357 N -4.40 0.19 -1.01 4.80 6.02 -0.67 -2.57 117.38 119.75 3h53 n GLN 357 Ca 0.11 0.32 -0.09 0.00 -0.01 0.00 0.00 57.00 57.32 3h53 n GLN 357 Cb 0.02 -1.80 0.25 0.00 1.02 0.00 0.00 30.24 29.73 3h53 n GLN 357 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3h53 n LEU 358 N -2.15 5.82 -2.46 1.08 4.77 -0.51 -4.94 117.00 118.61 3h53 n LEU 358 Ca 0.04 -3.40 -0.19 0.00 -0.03 0.00 0.00 56.01 52.43 3h53 n LEU 358 Cb 0.30 -0.74 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 3h53 n LEU 358 CO 0.23 0.93 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.93 3h53 n ASN 359 N -0.60 -5.54 -4.72 -1.43 2.85 -1.06 -5.00 115.26 99.76 3h53 n ASN 359 Ca 0.44 -0.16 -0.38 0.00 -0.11 0.00 0.00 54.58 54.37 3h53 n ASN 359 Cb 1.38 -4.46 -0.06 0.00 1.24 0.00 0.00 39.78 37.88 3h53 n ASN 359 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3h53 s PHE 360 N -3.04 3.51 0.38 1.20 0.08 -0.75 -5.03 117.98 114.33 3h53 s PHE 360 Ca 0.16 0.92 0.07 0.00 0.12 0.00 0.00 56.93 58.20 3h53 s PHE 360 Cb -0.07 -2.59 -0.07 0.00 -0.57 0.00 0.00 43.02 39.71 3h53 s PHE 360 CO 0.20 0.13 -0.01 0.95 -0.10 0.00 0.00 175.22 176.39 3h53 s THR 361 N 0.75 1.98 0.00 0.64 -4.23 -1.26 -4.29 115.64 109.22 3h53 s THR 361 Ca 0.27 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3h53 s THR 361 Cb -0.15 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.80 3h53 s THR 361 CO 0.11 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3h53 n GLY 362 N -0.89 -0.30 1.93 3.99 0.00 -1.26 -4.59 105.19 104.07 3h53 n GLY 362 Ca -0.05 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.06 3h53 n GLY 362 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h53 n SER 363 N -0.44 4.87 -4.71 1.61 3.41 -1.26 -4.81 113.62 112.29 3h53 n SER 363 Ca 0.00 -3.20 -0.42 0.00 -0.26 0.00 0.00 58.87 54.99 3h53 n SER 363 Cb 0.00 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.19 3h53 n SER 363 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h53 s VAL 364 N -2.98 3.18 -0.12 -3.33 1.01 -1.26 -5.01 120.40 111.88 3h53 s VAL 364 Ca 0.55 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 63.20 3h53 s VAL 364 Cb 0.44 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 3h53 s VAL 364 CO 0.13 0.06 0.36 -0.63 0.00 0.00 0.00 175.10 175.02 3h53 s ILE 365 N 1.28 5.24 0.26 2.22 1.01 -1.26 -4.48 121.20 125.48 3h53 s ILE 365 Ca 0.66 0.69 0.10 0.00 0.00 0.00 0.00 60.65 62.10 3h53 s ILE 365 Cb -0.38 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3h53 s ILE 365 CO 0.30 0.41 -0.02 -0.31 0.00 0.00 0.00 174.94 175.32 3h53 s TYR 366 N 0.24 2.67 0.06 3.97 2.02 0.15 -2.01 117.35 124.46 3h53 s TYR 366 Ca 0.20 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 56.73 3h53 s TYR 366 Cb -0.14 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.21 3h53 s TYR 366 CO 0.07 0.63 -0.16 -2.00 -1.57 0.00 0.00 175.55 172.51 3h53 s GLU 367 N -3.65 0.98 0.01 -0.62 2.12 0.57 -0.94 118.70 117.17 3h53 s GLU 367 Ca 0.31 -0.92 0.06 0.00 0.36 0.00 0.00 54.97 54.78 3h53 s GLU 367 Cb -0.06 -1.05 -0.02 0.00 0.26 0.00 0.00 34.13 33.26 3h53 s GLU 367 CO 0.20 0.25 -0.19 0.00 -0.54 0.00 0.00 175.26 174.98 3h53 s ALA 368 N -1.05 1.56 -0.18 6.30 0.00 -0.09 -1.03 121.76 127.28 3h53 s ALA 368 Ca 0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 3h53 s ALA 368 Cb -0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3h53 s ALA 368 CO 0.02 0.36 -0.05 -1.14 0.00 0.00 0.00 175.76 174.96 3h53 s GLN 369 N -0.74 3.53 -0.08 0.00 0.74 0.27 -0.57 119.66 122.80 3h53 s GLN 369 Ca 0.07 -0.58 -0.30 0.00 0.05 0.00 0.00 55.36 54.60 3h53 s GLN 369 Cb -0.08 -2.92 -0.05 0.00 1.10 0.00 0.00 33.01 31.06 3h53 s GLN 369 CO 0.00 0.07 1.63 0.34 -0.55 0.00 0.00 175.29 176.79 3h53 s ASP 370 N 0.79 6.64 0.33 6.67 -1.08 0.16 -0.15 116.67 130.02 3h53 s ASP 370 Ca -0.02 2.13 0.06 0.00 -0.52 0.00 0.00 52.55 54.21 3h53 s ASP 370 Cb -0.15 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.36 3h53 s ASP 370 CO 0.02 -0.96 1.80 0.58 0.52 0.00 0.00 175.17 177.12 3h53 h VAL 371 N 5.65 1.24 0.14 1.11 2.07 -0.99 0.15 116.25 125.62 3h53 h VAL 371 Ca -0.38 -1.13 -0.36 0.00 0.82 0.00 0.00 66.70 65.66 3h53 h VAL 371 Cb 1.17 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3h53 h VAL 371 CO 0.96 0.35 -1.91 1.88 0.02 0.00 0.00 177.57 178.86 3h53 h TYR 372 N 0.29 0.52 0.00 1.57 0.05 -1.91 -3.40 116.97 114.09 3h53 h TYR 372 Ca 0.05 -0.38 -0.14 0.00 0.05 0.00 0.00 58.73 58.31 3h53 h TYR 372 Cb 0.58 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 3h53 h TYR 372 CO 0.01 1.76 -1.33 -1.13 -1.05 0.00 0.00 178.16 176.41 3h53 n SER 373 N -3.54 0.86 0.00 3.88 3.41 -1.23 -4.97 113.62 112.03 3h53 n SER 373 Ca -0.30 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3h53 n SER 373 Cb 1.04 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 3h53 n SER 373 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h53 n GLY 374 N 1.35 1.22 3.76 5.00 0.00 0.53 -5.02 105.19 112.03 3h53 n GLY 374 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3h53 n GLY 374 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h53 s ASP 375 N -3.13 6.01 -0.16 1.61 1.01 -1.25 -4.65 116.67 116.11 3h53 s ASP 375 Ca 0.00 2.53 -0.04 0.00 0.71 0.00 0.00 52.55 55.75 3h53 s ASP 375 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 3h53 s ASP 375 CO 0.00 -1.04 -0.03 -0.63 0.21 0.00 0.00 175.17 173.68 3h53 s ILE 376 N -1.39 3.95 -0.29 0.77 1.01 -1.26 -0.67 121.20 123.32 3h53 s ILE 376 Ca 0.63 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.90 3h53 s ILE 376 Cb -0.35 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.42 3h53 s ILE 376 CO 0.43 0.49 0.03 -0.63 0.00 0.00 0.00 174.94 175.25 3h53 s ILE 377 N 0.39 3.37 0.24 2.92 1.09 0.26 -4.98 121.20 124.49 3h53 s ILE 377 Ca -0.03 -1.06 0.07 0.00 -1.10 0.00 0.00 60.65 58.53 3h53 s ILE 377 Cb -0.14 -2.82 -0.04 0.00 -1.06 0.00 0.00 42.46 38.40 3h53 s ILE 377 CO 0.03 0.01 0.18 -0.94 -0.10 0.00 0.00 174.94 174.11 3h53 s SER 378 N 1.37 5.45 -0.46 3.58 1.04 -1.26 -0.91 113.70 122.51 3h53 s SER 378 Ca -0.01 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 3h53 s SER 378 Cb -0.18 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.57 3h53 s SER 378 CO -0.00 -0.03 0.21 0.61 0.98 0.00 0.00 173.24 175.02 3h53 n GLY 379 N -1.08 0.35 3.52 7.32 0.00 -1.18 -5.00 105.19 109.12 3h53 n GLY 379 Ca -0.08 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 3h53 n GLY 379 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h53 s LEU 380 N -2.46 4.06 0.41 0.99 1.43 -0.12 -4.90 118.68 118.09 3h53 s LEU 380 Ca 0.11 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3h53 s LEU 380 Cb -0.05 -2.80 -0.00 0.00 0.03 0.00 0.00 46.19 43.37 3h53 s LEU 380 CO 0.13 -1.29 0.59 -0.13 0.23 0.00 0.00 176.35 175.89 3h53 s ARG 381 N 4.08 3.03 0.37 1.70 0.52 -1.26 0.32 118.95 127.71 3h53 s ARG 381 Ca 0.30 -0.77 0.08 0.00 -0.52 0.00 0.00 55.73 54.83 3h53 s ARG 381 Cb -0.13 -2.67 0.80 0.00 0.52 0.00 0.00 34.95 33.48 3h53 s ARG 381 CO 0.18 -0.17 1.93 -0.44 0.02 0.00 0.00 175.30 176.82 3h53 h ASP 382 N 0.59 0.62 1.72 0.23 3.45 -1.88 -1.81 116.42 119.35 3h53 h ASP 382 Ca -0.45 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3h53 h ASP 382 Cb 1.26 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 3h53 h ASP 382 CO 0.54 0.37 -0.04 -0.33 -1.57 0.00 0.00 179.24 178.22 3h53 h GLU 383 N 0.69 0.00 -6.30 3.56 3.07 -1.96 0.10 114.58 113.75 3h53 h GLU 383 Ca 0.36 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.68 3h53 h GLU 383 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3h53 h GLU 383 CO -0.13 0.00 1.12 0.99 -1.40 0.00 0.00 179.01 179.59 3h53 s THR 384 N -3.17 3.39 0.07 1.13 2.01 -0.68 -4.96 115.64 113.43 3h53 s THR 384 Ca 0.08 0.50 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 3h53 s THR 384 Cb 0.08 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 3h53 s THR 384 CO 0.64 -0.04 1.13 0.20 -0.69 0.00 0.00 174.62 175.86 3h53 s ASN 385 N 3.57 7.18 0.15 3.53 0.01 -1.26 -4.31 114.94 123.81 3h53 s ASN 385 Ca 0.78 1.95 0.04 0.00 -0.71 0.00 0.00 52.86 54.92 3h53 s ASN 385 Cb -0.36 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.67 3h53 s ASN 385 CO 0.33 -0.37 -0.10 0.72 -1.51 0.00 0.00 177.10 176.17 3h53 s PHE 386 N 0.80 1.27 -0.04 2.20 -0.12 0.29 -5.00 117.98 117.36 3h53 s PHE 386 Ca 0.55 -0.77 0.04 0.00 -0.05 0.00 0.00 56.93 56.71 3h53 s PHE 386 Cb -0.28 -0.65 -0.00 0.00 -0.63 0.00 0.00 43.02 41.46 3h53 s PHE 386 CO 0.30 0.07 -0.17 0.99 -0.05 0.00 0.00 175.22 176.36 3h53 s THR 387 N -3.34 1.43 -0.02 -4.49 2.01 -1.26 -1.35 115.64 108.62 3h53 s THR 387 Ca 0.17 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.52 3h53 s THR 387 Cb 0.03 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 3h53 s THR 387 CO 0.01 0.41 -0.21 0.68 -0.69 0.00 0.00 174.62 174.82 3h53 s VAL 388 N 0.05 1.64 -0.33 3.82 -7.23 -0.42 -4.96 120.40 112.99 3h53 s VAL 388 Ca -0.04 -0.88 -0.15 0.00 -1.81 0.00 0.00 61.98 59.10 3h53 s VAL 388 Cb -0.12 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 3h53 s VAL 388 CO 0.02 0.47 0.34 -0.63 -0.31 0.00 0.00 175.10 174.99 3h53 s ILE 389 N -0.41 5.19 -0.14 -0.62 1.01 -1.26 -0.30 121.20 124.68 3h53 s ILE 389 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3h53 s ILE 389 Cb -0.09 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 3h53 s ILE 389 CO -0.00 -0.02 -0.15 -0.63 0.00 0.00 0.00 174.94 174.14 3h53 s ILE 390 N 1.98 2.74 0.43 2.92 1.01 -0.22 -4.84 121.20 125.22 3h53 s ILE 390 Ca 0.11 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 3h53 s ILE 390 Cb -0.16 -2.15 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 3h53 s ILE 390 CO 0.11 0.52 0.89 0.20 0.00 0.00 0.00 174.94 176.67 3h53 s ASN 391 N 0.60 6.73 0.28 3.58 0.01 -1.26 -0.57 114.94 124.32 3h53 s ASN 391 Ca -0.09 1.48 -0.30 0.00 -0.71 0.00 0.00 52.86 53.24 3h53 s ASN 391 Cb -0.16 -2.46 -0.13 0.00 0.41 0.00 0.00 41.25 38.91 3h53 s ASN 391 CO 0.03 -0.41 1.34 -2.65 -1.51 0.00 0.00 177.10 173.89 3h53 n PRO 392 N -1.02 2.01 -3.02 -0.60 -0.02 -1.26 -1.03 135.00 130.06 3h53 n PRO 392 Ca 0.05 0.71 -0.20 0.00 -2.02 0.00 0.00 63.50 62.05 3h53 n PRO 392 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3h53 n PRO 392 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3h53 n SER 393 N 1.61 -4.25 -3.89 2.55 3.41 -0.68 -4.85 113.62 107.52 3h53 n SER 393 Ca 0.09 -0.19 -0.22 0.00 -0.26 0.00 0.00 58.87 58.28 3h53 n SER 393 Cb 0.33 -3.52 -0.08 0.00 -0.26 0.00 0.00 64.21 60.67 3h53 n SER 393 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3h53 s GLY 394 N -2.51 2.41 0.14 5.00 0.00 -0.20 -3.29 107.32 108.87 3h53 s GLY 394 Ca 0.26 -1.57 0.05 0.00 0.00 0.00 0.00 44.72 43.46 3h53 s GLY 394 CO 0.32 -1.68 -0.12 -1.34 0.00 0.00 0.00 173.10 170.28 3h53 s VAL 395 N -3.36 1.23 -0.10 1.40 -7.23 -1.26 -1.25 120.40 109.82 3h53 s VAL 395 Ca 0.31 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 3h53 s VAL 395 Cb 0.03 -1.69 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 3h53 s VAL 395 CO 0.19 -0.61 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.46 3h53 s VAL 396 N -2.81 2.23 -0.07 1.32 1.01 0.08 -4.78 120.40 117.37 3h53 s VAL 396 Ca 0.13 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.20 3h53 s VAL 396 Cb -0.01 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 3h53 s VAL 396 CO 0.02 0.55 -0.23 -0.32 0.00 0.00 0.00 175.10 175.12 3h53 s MET 397 N 0.33 2.63 -0.05 2.72 1.75 -1.26 -0.41 119.30 125.01 3h53 s MET 397 Ca -0.17 -0.83 0.05 0.00 -1.25 0.00 0.00 55.69 53.49 3h53 s MET 397 Cb -0.18 -2.11 -0.02 0.00 2.84 0.00 0.00 34.83 35.36 3h53 s MET 397 CO 0.08 0.26 -0.20 -1.58 -0.65 0.00 0.00 175.02 172.93 3h53 s TRP 398 N 0.13 2.55 -0.37 4.11 0.52 0.69 -0.29 118.94 126.27 3h53 s TRP 398 Ca -0.11 -0.38 -0.13 0.00 0.02 0.00 0.00 56.10 55.50 3h53 s TRP 398 Cb -0.16 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 30.58 3h53 s TRP 398 CO 0.06 0.02 0.24 -0.47 0.02 0.00 0.00 176.95 176.82 3h53 s TYR 399 N -0.51 3.23 -0.12 -1.98 5.04 0.78 -0.83 117.35 122.95 3h53 s TYR 399 Ca 0.07 -0.62 -0.03 0.00 -2.44 0.00 0.00 57.07 54.05 3h53 s TYR 399 Cb -0.11 -2.50 -0.03 0.00 0.35 0.00 0.00 41.96 39.67 3h53 s TYR 399 CO 0.01 -0.55 -0.03 -1.17 -1.34 0.00 0.00 175.55 172.48 3h53 s LEU 400 N 1.64 3.36 -0.03 6.97 2.96 0.89 -0.57 118.68 133.90 3h53 s LEU 400 Ca 0.04 -0.03 -0.14 0.00 -0.22 0.00 0.00 54.13 53.79 3h53 s LEU 400 Cb -0.19 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.74 3h53 s LEU 400 CO 0.09 0.26 0.31 -0.72 -1.32 0.00 0.00 176.35 174.96 3h53 s TYR 401 N -0.16 -0.20 0.33 5.38 -0.85 -0.20 -0.26 117.35 121.38 3h53 s TYR 401 Ca 0.04 0.37 -0.28 0.00 -0.52 0.00 0.00 57.07 56.67 3h53 s TYR 401 Cb -0.13 0.09 -0.10 0.00 0.38 0.00 0.00 41.96 42.21 3h53 s TYR 401 CO 0.02 -0.34 1.22 -2.14 -1.52 0.00 0.00 175.55 172.79 3h53 s PRO 402 N -1.04 4.37 -0.06 -3.49 0.02 -1.26 -0.31 135.00 133.23 3h53 s PRO 402 Ca -0.11 2.02 0.03 0.00 0.02 0.00 0.00 61.00 62.96 3h53 s PRO 402 Cb -0.05 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 3h53 s PRO 402 CO 0.03 -0.11 -0.13 0.96 -0.33 0.00 0.00 177.00 177.43 3h53 s ILE 403 N -1.20 3.19 0.00 2.83 -4.36 -0.85 -4.84 121.20 115.97 3h53 s ILE 403 Ca 0.49 -0.67 0.00 0.00 -0.26 0.00 0.00 60.65 60.21 3h53 s ILE 403 Cb -0.36 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.09 3h53 s ILE 403 CO 0.47 0.59 0.04 2.29 0.24 0.00 0.00 174.94 178.57