#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h55 n ASP 19 N 0.00 8.02 -0.81 1.96 2.03 -1.26 -4.47 116.55 122.02 3h55 n ASP 19 Ca 0.00 -2.87 0.07 0.00 0.52 0.00 0.00 54.79 52.51 3h55 n ASP 19 Cb 0.00 -1.44 0.21 0.00 -0.72 0.00 0.00 41.12 39.17 3h55 n ASP 19 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3h55 n ASN 20 N 2.47 3.43 0.00 1.67 0.23 -1.26 -4.96 115.26 116.84 3h55 n ASN 20 Ca 0.67 -2.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 3h55 n ASN 20 Cb 0.31 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 3h55 n ASN 20 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h55 n GLY 21 N 0.19 0.50 3.78 4.83 0.00 -1.26 -4.94 105.19 108.27 3h55 n GLY 21 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3h55 n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h55 s LEU 22 N 0.00 3.71 -1.36 0.99 1.43 -1.26 -4.71 118.68 117.47 3h55 s LEU 22 Ca 0.00 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3h55 s LEU 22 Cb 0.00 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.94 3h55 s LEU 22 CO 0.00 0.05 0.80 0.18 0.23 0.00 0.00 176.35 177.61 3h55 n LEU 23 N -0.48 -3.00 0.31 1.79 4.77 -1.26 -4.28 117.00 114.85 3h55 n LEU 23 Ca -0.08 -0.79 0.18 0.00 -0.03 0.00 0.00 56.01 55.28 3h55 n LEU 23 Cb 0.55 -2.66 1.03 0.00 -2.33 0.00 0.00 43.42 40.01 3h55 n LEU 23 CO 0.42 0.43 1.14 1.56 -1.33 0.00 0.00 177.39 179.62 3h55 h GLN 24 N -1.96 0.00 -5.76 3.23 1.08 -1.90 0.15 115.11 109.95 3h55 h GLN 24 Ca -0.60 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.10 3h55 h GLN 24 Cb 1.36 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.65 3h55 h GLN 24 CO 0.59 0.00 -0.74 0.95 -0.95 0.00 0.00 178.83 178.68 3h55 s THR 25 N -4.43 1.96 0.42 -0.54 -4.23 -1.26 -4.28 115.64 103.28 3h55 s THR 25 Ca -0.05 -2.27 -0.25 0.00 -1.18 0.00 0.00 61.69 57.94 3h55 s THR 25 Cb 0.14 -2.14 -0.10 0.00 1.34 0.00 0.00 72.50 71.74 3h55 s THR 25 CO 0.50 -0.52 1.25 -2.65 -0.54 0.00 0.00 174.62 172.66 3h55 n PRO 26 N -0.46 1.89 -2.10 3.99 -0.02 -1.26 -4.87 135.00 132.17 3h55 n PRO 26 Ca -0.07 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 3h55 n PRO 26 Cb 0.60 -2.35 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3h55 n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h55 s PRO 27 N -2.18 3.83 -0.04 0.52 0.04 -1.26 -4.79 135.00 131.12 3h55 s PRO 27 Ca 0.61 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.75 3h55 s PRO 27 Cb -0.51 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 3h55 s PRO 27 CO 0.58 -0.57 -0.21 -1.64 0.04 0.00 0.00 177.00 175.20 3h55 s MET 28 N -2.42 2.06 0.00 4.56 -1.94 -1.26 -1.26 119.30 119.04 3h55 s MET 28 Ca 0.60 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.81 3h55 s MET 28 Cb -0.35 -1.82 0.00 0.00 2.01 0.00 0.00 34.83 34.66 3h55 s MET 28 CO 0.44 0.36 0.00 0.41 -0.01 0.00 0.00 175.02 176.23 3h55 n GLY 29 N 2.89 -0.79 2.83 -0.03 0.00 -0.63 -1.58 105.19 107.88 3h55 n GLY 29 Ca -0.17 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 3h55 n GLY 29 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3h55 s TRP 30 N -4.00 -0.00 -0.03 1.61 -0.00 0.70 -1.00 118.94 116.21 3h55 s TRP 30 Ca 0.00 0.11 0.05 0.00 -0.00 0.00 0.00 56.10 56.27 3h55 s TRP 30 Cb 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 33.47 33.34 3h55 s TRP 30 CO 0.00 -0.06 -0.19 -1.17 -0.00 0.00 0.00 176.95 175.53 3h55 s LEU 31 N 0.62 1.99 0.39 5.86 0.20 0.89 -0.12 118.68 128.51 3h55 s LEU 31 Ca -0.05 -0.37 0.19 0.00 0.69 0.00 0.00 54.13 54.59 3h55 s LEU 31 Cb -0.07 -1.02 0.75 0.00 -0.43 0.00 0.00 46.19 45.42 3h55 s LEU 31 CO -0.02 0.21 1.77 0.00 -0.29 0.00 0.00 176.35 178.02 3h55 h ALA 32 N 5.92 1.05 0.93 5.97 0.00 -1.72 -3.37 119.26 128.04 3h55 h ALA 32 Ca -0.36 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 3h55 h ALA 32 Cb 1.16 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.90 3h55 h ALA 32 CO 0.48 0.44 -0.45 2.35 0.00 0.00 0.00 179.25 182.07 3h55 h TRP 33 N 0.00 -1.16 -0.62 0.00 2.91 -1.88 -1.81 115.95 113.40 3h55 h TRP 33 Ca -0.00 -0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.09 3h55 h TRP 33 Cb 0.83 0.38 -0.08 0.00 -0.51 0.00 0.00 29.16 29.78 3h55 h TRP 33 CO 0.00 -0.72 0.21 1.49 -1.03 0.00 0.00 178.44 178.39 3h55 h GLU 34 N -1.30 0.37 0.14 2.65 4.22 -1.87 0.34 114.58 119.13 3h55 h GLU 34 Ca -0.13 -0.02 -0.32 0.00 0.08 0.00 0.00 59.36 58.97 3h55 h GLU 34 Cb 0.96 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3h55 h GLU 34 CO 0.21 0.24 -1.62 -0.09 -2.18 0.00 0.00 179.01 175.57 3h55 h ARG 35 N 0.38 0.29 0.00 1.92 9.65 -1.68 -3.40 114.38 121.53 3h55 h ARG 35 Ca 0.32 -0.49 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3h55 h ARG 35 Cb 0.42 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 3h55 h ARG 35 CO -0.34 1.16 -1.05 1.19 2.80 0.00 0.00 179.97 183.73 3h55 n PHE 36 N -3.48 0.00 -1.66 2.20 3.72 -0.68 -5.05 117.46 112.51 3h55 n PHE 36 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3h55 n PHE 36 Cb 1.05 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 3h55 n PHE 36 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3h55 n ARG 37 N -1.60 0.00 -1.93 -1.08 5.12 0.12 -2.86 116.66 114.43 3h55 n ARG 37 Ca -0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 3h55 n ARG 37 Cb 0.25 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.58 3h55 n ARG 37 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3h55 s ASN 39 N -2.12 6.46 0.00 0.00 3.84 -1.14 -4.83 114.94 117.15 3h55 s ASN 39 Ca 0.54 0.11 0.07 0.00 0.21 0.00 0.00 52.86 53.79 3h55 s ASN 39 Cb 0.44 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.64 3h55 s ASN 39 CO -0.22 -1.45 0.68 2.30 -2.79 0.00 0.00 177.10 175.62 3h55 n ILE 40 N 6.66 0.00 -2.66 -5.21 -5.35 -1.26 0.29 119.36 111.83 3h55 n ILE 40 Ca 0.08 -0.48 -0.43 0.00 -0.27 0.00 0.00 62.75 61.66 3h55 n ILE 40 Cb 0.49 1.14 -0.01 0.00 -1.74 0.00 0.00 39.64 39.51 3h55 n ILE 40 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3h55 s ASN 41 N -0.74 6.72 0.10 7.28 2.47 -1.26 -4.77 114.94 124.75 3h55 s ASN 41 Ca 0.08 -2.12 0.27 0.00 0.42 0.00 0.00 52.86 51.51 3h55 s ASN 41 Cb 0.06 -2.53 0.83 0.00 -1.45 0.00 0.00 41.25 38.16 3h55 s ASN 41 CO 0.11 -1.22 1.71 0.00 -3.72 0.00 0.00 177.10 173.98 3h55 h ASP 43 N 0.00 0.57 0.53 0.00 3.32 -1.98 -2.95 116.42 115.91 3h55 h ASP 43 Ca 0.00 -0.48 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 3h55 h ASP 43 Cb 0.64 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3h55 h ASP 43 CO 0.00 0.93 -1.57 -0.62 -1.72 0.00 0.00 179.24 176.27 3h55 n GLU 44 N -4.40 0.63 -3.19 3.56 1.02 -1.23 -4.66 120.64 112.37 3h55 n GLU 44 Ca -0.05 0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 3h55 n GLU 44 Cb 0.42 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 3h55 n GLU 44 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3h55 n ASP 45 N -2.68 0.74 0.30 1.62 -0.08 -0.56 -4.97 116.55 110.92 3h55 n ASP 45 Ca -0.09 -2.97 0.18 0.00 -1.51 0.00 0.00 54.79 50.41 3h55 n ASP 45 Cb 0.75 -0.62 0.91 0.00 2.34 0.00 0.00 41.12 44.50 3h55 n ASP 45 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3h55 h PRO 46 N 3.14 0.00 0.00 -0.67 0.13 -1.71 -2.11 132.00 130.78 3h55 h PRO 46 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3h55 h PRO 46 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3h55 h PRO 46 CO 0.49 0.03 -0.86 1.17 -0.23 0.00 0.00 178.00 178.60 3h55 n LYS 47 N -3.25 0.39 0.00 0.86 3.00 -1.26 -4.31 118.16 113.59 3h55 n LYS 47 Ca -0.01 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 3h55 n LYS 47 Cb 0.19 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.52 3h55 n LYS 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3h55 n ASN 48 N -2.24 0.55 -4.82 3.14 3.02 -1.03 -4.85 115.26 109.02 3h55 n ASN 48 Ca 0.02 -0.79 -0.33 0.00 -0.03 0.00 0.00 54.58 53.46 3h55 n ASN 48 Cb 0.47 0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.98 3h55 n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h55 s ILE 50 N -2.48 3.29 0.21 0.00 -1.09 0.15 -4.62 121.20 116.66 3h55 s ILE 50 Ca 0.62 0.26 -0.21 0.00 -2.23 0.00 0.00 60.65 59.10 3h55 s ILE 50 Cb -0.14 -3.50 0.04 0.00 -1.58 0.00 0.00 42.46 37.28 3h55 s ILE 50 CO 0.34 -0.39 0.61 -0.94 -1.23 0.00 0.00 174.94 173.33 3h55 s SER 51 N 7.88 -0.38 0.40 3.58 1.04 -1.26 -4.89 113.70 120.07 3h55 s SER 51 Ca 0.83 -0.34 0.09 0.00 0.48 0.00 0.00 55.95 57.01 3h55 s SER 51 Cb -0.21 0.63 0.82 0.00 0.10 0.00 0.00 66.02 67.36 3h55 s SER 51 CO 0.30 -1.11 1.97 1.05 0.98 0.00 0.00 173.24 176.43 3h55 h GLU 52 N 2.07 0.34 0.19 4.02 4.11 -1.52 -2.71 114.58 121.08 3h55 h GLU 52 Ca -0.28 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.10 3h55 h GLU 52 Cb 1.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3h55 h GLU 52 CO 0.33 0.36 -0.16 0.37 0.07 0.00 0.00 179.01 179.99 3h55 h GLN 53 N 0.33 -0.36 -0.52 1.06 4.15 -1.94 0.93 115.11 118.77 3h55 h GLN 53 Ca 0.08 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.62 3h55 h GLN 53 Cb 0.22 0.08 -0.11 0.00 0.21 0.00 0.00 27.48 27.88 3h55 h GLN 53 CO 0.00 -0.24 -0.25 1.25 -1.93 0.00 0.00 178.83 177.67 3h55 h LEU 54 N -0.37 -0.85 -0.67 -2.39 5.85 -1.74 0.65 115.31 115.78 3h55 h LEU 54 Ca -0.01 0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 3h55 h LEU 54 Cb 0.33 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3h55 h LEU 54 CO -0.02 -0.26 -0.21 -0.26 -0.34 0.00 0.00 178.44 177.35 3h55 h PHE 55 N -0.12 0.92 -0.58 1.25 0.04 -1.25 -1.04 116.94 116.16 3h55 h PHE 55 Ca 0.24 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 3h55 h PHE 55 Cb 0.50 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 3h55 h PHE 55 CO -0.53 0.94 0.16 0.52 -0.60 0.00 0.00 178.31 178.80 3h55 h MET 56 N 0.71 0.91 -0.61 1.51 2.86 -0.36 -0.87 114.93 119.08 3h55 h MET 56 Ca 0.10 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 3h55 h MET 56 Cb 0.73 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 3h55 h MET 56 CO 0.06 0.84 0.09 0.93 1.06 0.00 0.00 176.91 179.88 3h55 h GLU 57 N 0.82 0.99 -0.43 1.72 5.08 -0.57 -1.48 114.58 120.72 3h55 h GLU 57 Ca 0.18 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 3h55 h GLU 57 Cb 0.32 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3h55 h GLU 57 CO -0.00 0.92 -0.25 0.52 -1.00 0.00 0.00 179.01 179.20 3h55 h MET 58 N 0.93 0.90 -0.29 2.33 2.86 -1.07 -2.40 114.93 118.19 3h55 h MET 58 Ca 0.19 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 3h55 h MET 58 Cb 0.42 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3h55 h MET 58 CO 0.01 1.04 0.13 0.00 1.06 0.00 0.00 176.91 179.15 3h55 h ALA 59 N 0.94 0.35 -0.74 6.32 0.00 -0.88 0.09 119.26 125.33 3h55 h ALA 59 Ca 0.10 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3h55 h ALA 59 Cb 0.80 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3h55 h ALA 59 CO 0.07 -0.26 0.43 -0.44 0.00 0.00 0.00 179.25 179.04 3h55 h ASP 60 N 0.28 0.63 -0.50 0.00 3.32 -1.20 -0.95 116.42 117.99 3h55 h ASP 60 Ca 0.12 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3h55 h ASP 60 Cb 0.06 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3h55 h ASP 60 CO -0.10 0.40 0.13 0.03 -1.72 0.00 0.00 179.24 177.97 3h55 h ARG 61 N 0.77 0.80 -0.43 3.56 2.47 -0.95 -0.37 114.38 120.23 3h55 h ARG 61 Ca 0.34 -0.19 -0.06 0.00 -1.26 0.00 0.00 59.98 58.81 3h55 h ARG 61 Cb 0.23 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 3h55 h ARG 61 CO -0.20 0.77 0.02 0.52 0.56 0.00 0.00 179.97 181.64 3h55 h MET 62 N 0.69 0.69 -0.06 0.04 2.86 -0.51 -0.04 114.93 118.60 3h55 h MET 62 Ca 0.16 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 3h55 h MET 62 Cb 0.33 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.90 3h55 h MET 62 CO 0.00 0.69 -0.40 0.00 1.06 0.00 0.00 176.91 178.26 3h55 h ALA 63 N 1.37 0.13 0.00 6.32 0.00 -1.05 0.22 119.26 126.25 3h55 h ALA 63 Ca 0.13 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 3h55 h ALA 63 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3h55 h ALA 63 CO 0.01 0.25 -1.23 1.96 0.00 0.00 0.00 179.25 180.24 3h55 h GLN 64 N -0.11 0.00 -0.61 0.00 4.20 -0.94 -3.38 115.11 114.26 3h55 h GLN 64 Ca -0.03 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3h55 h GLN 64 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3h55 h GLN 64 CO 0.08 0.84 0.00 -0.25 -0.67 0.00 0.00 178.83 178.83 3h55 n ASP 65 N -3.25 4.74 0.00 1.46 8.00 -0.04 -4.92 116.55 122.53 3h55 n ASP 65 Ca -0.05 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.95 3h55 n ASP 65 Cb 0.98 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 3h55 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h55 n GLY 66 N 0.98 0.87 0.26 0.44 0.00 -1.26 -4.96 105.19 101.52 3h55 n GLY 66 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 3h55 n GLY 66 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h55 h TRP 67 N 0.00 -0.55 -0.54 1.61 4.06 -1.77 -1.47 115.95 117.27 3h55 h TRP 67 Ca 0.00 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 60.99 3h55 h TRP 67 Cb 0.00 0.18 -0.05 0.00 -1.00 0.00 0.00 29.16 28.30 3h55 h TRP 67 CO 0.00 -0.34 0.28 -0.09 -3.56 0.00 0.00 178.44 174.73 3h55 h ARG 68 N -0.60 0.52 0.00 0.49 2.43 -0.57 -1.31 114.38 115.34 3h55 h ARG 68 Ca -0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3h55 h ARG 68 Cb 0.46 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3h55 h ARG 68 CO 0.10 0.34 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.44 3h55 h ASP 69 N 0.54 0.00 0.69 -3.80 3.32 -1.77 -1.69 116.42 113.69 3h55 h ASP 69 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3h55 h ASP 69 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3h55 h ASP 69 CO -0.17 0.03 -0.37 0.23 -1.72 0.00 0.00 179.24 177.24 3h55 n MET 70 N -3.15 0.03 0.00 3.56 2.81 -0.57 -4.94 117.12 114.87 3h55 n MET 70 Ca -0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3h55 n MET 70 Cb 0.28 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3h55 n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h55 n GLY 71 N 1.48 1.35 3.55 3.03 0.00 -0.64 -5.02 105.19 108.94 3h55 n GLY 71 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3h55 n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h55 s TYR 72 N -2.00 1.93 -0.05 1.61 2.02 -0.56 -4.48 117.35 115.81 3h55 s TYR 72 Ca 0.00 0.41 0.05 0.00 -0.37 0.00 0.00 57.07 57.16 3h55 s TYR 72 Cb 0.00 -4.31 -0.07 0.00 -0.40 0.00 0.00 41.96 37.18 3h55 s TYR 72 CO 0.00 -2.18 0.04 0.25 -1.57 0.00 0.00 175.55 172.08 3h55 n THR 73 N 6.92 0.31 -3.00 -0.71 -2.24 -0.61 -3.37 114.28 111.59 3h55 n THR 73 Ca 0.15 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 3h55 n THR 73 Cb 0.51 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 68.04 3h55 n THR 73 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3h55 s TYR 74 N -2.18 3.67 -0.30 4.78 2.02 -0.88 -0.32 117.35 124.14 3h55 s TYR 74 Ca -0.03 1.39 0.03 0.00 -0.37 0.00 0.00 57.07 58.10 3h55 s TYR 74 Cb 0.02 -2.83 0.08 0.00 -0.40 0.00 0.00 41.96 38.83 3h55 s TYR 74 CO 0.23 0.19 -0.03 -1.17 -1.57 0.00 0.00 175.55 173.19 3h55 s LEU 75 N 0.34 4.04 -0.22 -1.29 1.98 0.16 -0.22 118.68 123.49 3h55 s LEU 75 Ca 0.39 -1.72 -0.05 0.00 -2.89 0.00 0.00 54.13 49.86 3h55 s LEU 75 Cb -0.19 -1.60 -0.02 0.00 0.66 0.00 0.00 46.19 45.04 3h55 s LEU 75 CO 0.21 -0.28 -0.00 0.20 -1.89 0.00 0.00 176.35 174.59 3h55 s ASN 76 N 1.04 4.67 0.24 3.68 -0.87 0.83 -0.97 114.94 123.56 3h55 s ASN 76 Ca -0.00 -0.28 -0.30 0.00 -1.57 0.00 0.00 52.86 50.71 3h55 s ASN 76 Cb -0.20 -1.81 -0.09 0.00 -0.02 0.00 0.00 41.25 39.14 3h55 s ASN 76 CO -0.06 0.01 1.18 -0.63 -2.57 0.00 0.00 177.10 175.03 3h55 s ILE 77 N 1.30 3.42 0.00 0.60 1.01 -0.30 -2.13 121.20 125.10 3h55 s ILE 77 Ca 0.04 1.30 0.00 0.00 0.00 0.00 0.00 60.65 61.99 3h55 s ILE 77 Cb -0.15 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3h55 s ILE 77 CO 0.00 0.26 0.00 -0.67 0.00 0.00 0.00 174.94 174.53 3h55 n ASP 78 N 1.82 0.15 -4.54 3.58 -0.08 -1.26 -3.22 116.55 112.99 3h55 n ASP 78 Ca 0.02 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.99 3h55 n ASP 78 Cb 0.44 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.08 3h55 n ASP 78 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3h55 n ASP 79 N 0.00 -0.83 -0.28 1.67 -0.08 -1.26 -4.16 116.55 111.61 3h55 n ASP 79 Ca 0.00 0.22 -0.04 0.00 -1.51 0.00 0.00 54.79 53.47 3h55 n ASP 79 Cb 0.00 -1.33 -0.01 0.00 2.34 0.00 0.00 41.12 42.11 3h55 n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3h55 n TRP 81 N -2.98 0.81 -2.56 0.00 4.27 -1.26 -4.94 117.44 110.78 3h55 n TRP 81 Ca -0.04 0.24 -0.41 0.00 -3.89 0.00 0.00 57.50 53.40 3h55 n TRP 81 Cb 0.15 -0.91 -0.04 0.00 -1.36 0.00 0.00 31.31 29.15 3h55 n TRP 81 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3h55 s ILE 82 N -3.33 4.21 -0.15 -1.67 1.01 -1.26 -0.79 121.20 119.23 3h55 s ILE 82 Ca -0.02 1.73 -0.21 0.00 0.00 0.00 0.00 60.65 62.15 3h55 s ILE 82 Cb 0.10 -4.11 -0.24 0.00 0.01 0.00 0.00 42.46 38.22 3h55 s ILE 82 CO 0.81 0.21 0.49 1.23 0.00 0.00 0.00 174.94 177.69 3h55 h GLY 83 N 6.01 0.11 0.00 6.18 0.00 -0.33 -3.38 103.07 111.66 3h55 h GLY 83 Ca -0.43 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3h55 h GLY 83 CO 0.75 0.26 0.00 0.61 0.00 0.00 0.00 176.54 178.16 3h55 n GLY 84 N 1.60 -0.58 3.36 4.60 0.00 -1.04 -4.88 105.19 108.24 3h55 n GLY 84 Ca -0.24 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3h55 n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h55 s ARG 85 N -1.11 2.14 0.60 1.61 0.52 -1.26 -0.76 118.95 120.70 3h55 s ARG 85 Ca 0.00 -0.91 -0.10 0.00 -0.52 0.00 0.00 55.73 54.20 3h55 s ARG 85 Cb 0.00 -2.11 0.14 0.00 0.52 0.00 0.00 34.95 33.51 3h55 s ARG 85 CO 0.00 0.57 0.70 -0.40 0.02 0.00 0.00 175.30 176.18 3h55 n ASP 86 N 2.28 -0.57 0.15 0.23 5.68 -0.25 -4.82 116.55 119.24 3h55 n ASP 86 Ca -0.16 -1.12 0.15 0.00 -0.50 0.00 0.00 54.79 53.15 3h55 n ASP 86 Cb 0.51 -0.57 0.70 0.00 -1.14 0.00 0.00 41.12 40.63 3h55 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h55 h ALA 87 N -2.08 2.15 -0.07 2.12 0.00 -2.01 -0.50 119.26 118.87 3h55 h ALA 87 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3h55 h ALA 87 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3h55 h ALA 87 CO 0.16 -0.32 0.00 0.43 0.00 0.00 0.00 179.25 179.53 3h55 n SER 88 N -4.32 1.47 0.00 0.00 7.64 -1.26 -4.92 113.62 112.22 3h55 n SER 88 Ca 0.03 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.36 3h55 n SER 88 Cb 0.34 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3h55 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h55 n GLY 89 N 1.15 0.60 3.71 0.23 0.00 -0.19 -5.04 105.19 105.64 3h55 n GLY 89 Ca 0.18 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3h55 n GLY 89 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h55 s ARG 90 N -0.45 4.42 0.34 1.61 3.52 -1.26 -4.72 118.95 122.42 3h55 s ARG 90 Ca 0.00 0.87 -0.28 0.00 -0.13 0.00 0.00 55.73 56.19 3h55 s ARG 90 Cb 0.00 -3.46 -0.12 0.00 -1.56 0.00 0.00 34.95 29.81 3h55 s ARG 90 CO 0.00 0.04 1.34 1.28 -0.81 0.00 0.00 175.30 177.16 3h55 n LEU 91 N 3.87 3.79 -4.10 -0.88 4.77 -1.26 -1.09 117.00 122.10 3h55 n LEU 91 Ca -0.01 1.21 -0.19 0.00 -0.03 0.00 0.00 56.01 56.99 3h55 n LEU 91 Cb 0.51 -1.51 -0.13 0.00 -2.33 0.00 0.00 43.42 39.96 3h55 n LEU 91 CO 0.47 -0.34 -0.45 0.00 -1.33 0.00 0.00 177.39 175.74 3h55 s MET 92 N -1.82 0.82 0.82 3.23 0.23 0.06 -4.86 119.30 117.78 3h55 s MET 92 Ca 0.56 -0.65 -0.12 0.00 -1.03 0.00 0.00 55.69 54.45 3h55 s MET 92 Cb -0.55 -0.78 0.09 0.00 -1.53 0.00 0.00 34.83 32.05 3h55 s MET 92 CO 0.62 0.19 1.11 -1.25 -2.03 0.00 0.00 175.02 173.66 3h55 s PRO 93 N -0.97 1.86 -0.02 3.16 0.04 -1.26 0.17 135.00 137.97 3h55 s PRO 93 Ca 0.00 0.57 -0.32 0.00 0.04 0.00 0.00 61.00 61.30 3h55 s PRO 93 Cb -0.07 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 3h55 s PRO 93 CO 0.01 -1.76 1.95 -3.47 0.04 0.00 0.00 177.00 173.77 3h55 n ASP 94 N -3.52 3.85 -0.14 6.66 -0.08 0.03 -3.57 116.55 119.79 3h55 n ASP 94 Ca 0.07 0.90 -0.02 0.00 -1.51 0.00 0.00 54.79 54.22 3h55 n ASP 94 Cb 0.57 -1.47 0.20 0.00 2.34 0.00 0.00 41.12 42.77 3h55 n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3h55 h PRO 95 N 10.28 0.84 -0.23 -0.67 0.13 -1.92 0.30 132.00 140.72 3h55 h PRO 95 Ca -0.49 -0.15 -0.20 0.00 -0.87 0.00 0.00 66.00 64.29 3h55 h PRO 95 Cb 1.25 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3h55 h PRO 95 CO 0.95 0.73 -0.64 0.87 -0.23 0.00 0.00 178.00 179.67 3h55 h LYS 96 N 0.82 0.84 0.00 0.86 1.57 -1.96 -2.89 116.57 115.81 3h55 h LYS 96 Ca 0.19 -0.59 -0.07 0.00 -1.87 0.00 0.00 60.65 58.30 3h55 h LYS 96 Cb 0.24 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3h55 h LYS 96 CO -0.01 1.21 -1.05 0.00 -0.57 0.00 0.00 179.45 179.04 3h55 h ARG 97 N 0.62 0.00 -2.12 3.15 3.08 -1.86 -3.38 114.38 113.87 3h55 h ARG 97 Ca -0.01 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.47 3h55 h ARG 97 Cb 1.26 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.90 3h55 h ARG 97 CO 0.14 0.15 -0.86 1.19 -1.07 0.00 0.00 179.97 179.51 3h55 n PHE 98 N -2.83 1.93 0.24 3.04 3.72 0.10 -1.23 117.46 122.42 3h55 n PHE 98 Ca -0.03 -3.89 0.08 0.00 -0.05 0.00 0.00 57.45 53.56 3h55 n PHE 98 Cb 0.67 -0.46 0.59 0.00 -0.94 0.00 0.00 39.48 39.35 3h55 n PHE 98 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3h55 h PRO 99 N 3.66 0.00 0.00 -1.08 0.13 -1.70 -2.51 132.00 130.50 3h55 h PRO 99 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3h55 h PRO 99 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3h55 h PRO 99 CO 0.66 0.15 -0.50 0.72 -0.23 0.00 0.00 178.00 178.80 3h55 n HIS 100 N -4.13 0.55 0.00 1.56 8.25 -1.26 -5.04 115.22 115.15 3h55 n HIS 100 Ca -0.02 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3h55 n HIS 100 Cb 0.23 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.68 3h55 n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h55 n GLY 101 N 1.35 0.11 0.29 -1.41 0.00 -0.95 -4.39 105.19 100.20 3h55 n GLY 101 Ca 0.04 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 3h55 n GLY 101 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h55 h ILE 102 N 0.00 1.27 -0.91 -0.61 1.08 -1.98 -3.00 117.51 113.37 3h55 h ILE 102 Ca 0.00 -1.28 0.11 0.00 -0.39 0.00 0.00 64.86 63.30 3h55 h ILE 102 Cb 0.00 1.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.67 3h55 h ILE 102 CO 0.00 0.45 0.54 -0.65 -0.69 0.00 0.00 178.15 177.80 3h55 h PRO 103 N 0.88 0.84 -0.80 2.37 0.11 -1.87 0.01 132.00 133.54 3h55 h PRO 103 Ca 0.13 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.23 3h55 h PRO 103 Cb 0.69 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.56 3h55 h PRO 103 CO 0.05 0.55 0.51 0.35 -0.21 0.00 0.00 178.00 179.25 3h55 h PHE 104 N 0.86 0.95 -0.28 0.65 3.57 -1.73 -0.18 116.94 120.78 3h55 h PHE 104 Ca 0.45 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.89 3h55 h PHE 104 Cb 0.45 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3h55 h PHE 104 CO -0.04 0.53 -0.15 1.25 -2.23 0.00 0.00 178.31 177.67 3h55 h LEU 105 N 0.98 0.61 -0.30 0.59 5.85 -1.19 -1.17 115.31 120.68 3h55 h LEU 105 Ca 0.32 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3h55 h LEU 105 Cb 0.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3h55 h LEU 105 CO -0.12 0.90 0.19 0.00 -0.34 0.00 0.00 178.44 179.07 3h55 h ALA 106 N 0.74 0.38 -0.32 1.25 0.00 -0.84 0.15 119.26 120.62 3h55 h ALA 106 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3h55 h ALA 106 Cb 0.67 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3h55 h ALA 106 CO 0.04 -0.16 -0.20 -0.44 0.00 0.00 0.00 179.25 178.49 3h55 h ASP 107 N 0.40 -0.66 -0.53 0.00 3.32 -0.96 0.40 116.42 118.39 3h55 h ASP 107 Ca 0.11 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3h55 h ASP 107 Cb -0.03 0.34 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3h55 h ASP 107 CO -0.03 -0.23 0.34 0.22 -1.72 0.00 0.00 179.24 177.81 3h55 h TYR 108 N -0.16 0.68 -0.26 4.55 3.20 -0.82 -1.01 116.97 123.15 3h55 h TYR 108 Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3h55 h TYR 108 Cb 0.41 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3h55 h TYR 108 CO -0.40 0.44 0.12 0.28 -1.64 0.00 0.00 178.16 176.97 3h55 h VAL 109 N 0.71 1.15 -0.33 1.81 2.07 -0.13 -2.95 116.25 118.59 3h55 h VAL 109 Ca 0.19 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3h55 h VAL 109 Cb -0.06 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3h55 h VAL 109 CO -0.04 0.15 0.11 0.45 0.02 0.00 0.00 177.57 178.26 3h55 h HIS 110 N 0.28 0.47 0.00 1.57 3.86 0.04 -1.62 115.15 119.75 3h55 h HIS 110 Ca 0.09 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3h55 h HIS 110 Cb 0.13 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 3h55 h HIS 110 CO -0.02 0.40 -0.07 0.66 0.86 0.00 0.00 177.93 179.76 3h55 h SER 111 N 0.47 0.00 -0.28 2.45 4.64 -1.01 -2.02 113.55 117.80 3h55 h SER 111 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3h55 h SER 111 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3h55 h SER 111 CO -0.01 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 3h55 n LEU 112 N -3.21 2.71 0.00 5.97 4.77 -0.97 -4.93 117.00 121.34 3h55 n LEU 112 Ca 0.00 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 3h55 n LEU 112 Cb 0.32 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3h55 n LEU 112 CO 0.29 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3h55 n GLY 113 N 1.35 0.49 3.85 -0.72 0.00 -0.76 -4.83 105.19 104.56 3h55 n GLY 113 Ca 0.18 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 3h55 n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h55 s LEU 114 N 0.00 3.28 0.10 0.99 1.43 -0.65 -4.99 118.68 118.85 3h55 s LEU 114 Ca 0.00 -0.86 0.08 0.00 -1.03 0.00 0.00 54.13 52.32 3h55 s LEU 114 Cb 0.00 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3h55 s LEU 114 CO 0.00 -0.66 -0.16 -0.54 0.23 0.00 0.00 176.35 175.21 3h55 s LYS 115 N -4.09 1.90 -0.17 1.70 1.02 0.57 -3.63 119.74 117.04 3h55 s LYS 115 Ca 0.46 -1.11 -0.05 0.00 0.02 0.00 0.00 55.97 55.29 3h55 s LYS 115 Cb -0.01 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 3h55 s LYS 115 CO 0.26 0.50 -0.01 -1.17 -0.92 0.00 0.00 175.35 174.01 3h55 s LEU 116 N -2.02 3.37 0.13 3.17 2.96 -1.26 -0.66 118.68 124.37 3h55 s LEU 116 Ca 0.18 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 3h55 s LEU 116 Cb -0.11 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3h55 s LEU 116 CO 0.10 0.14 0.08 -0.83 -1.32 0.00 0.00 176.35 174.52 3h55 s GLY 117 N 0.53 1.84 0.21 7.98 0.00 -0.14 0.20 107.32 117.94 3h55 s GLY 117 Ca -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.56 3h55 s GLY 117 CO 0.02 -1.15 0.08 -1.50 0.00 0.00 0.00 173.10 170.55 3h55 s ILE 118 N -1.56 0.40 -0.00 0.90 2.07 0.19 -1.15 121.20 122.05 3h55 s ILE 118 Ca 0.29 -1.98 0.07 0.00 -1.41 0.00 0.00 60.65 57.61 3h55 s ILE 118 Cb -0.11 -2.41 -0.02 0.00 0.13 0.00 0.00 42.46 40.05 3h55 s ILE 118 CO 0.21 -0.17 -0.21 -0.47 -1.91 0.00 0.00 174.94 172.40 3h55 s TYR 119 N -3.86 1.83 0.23 3.50 5.04 -1.20 -0.57 117.35 122.32 3h55 s TYR 119 Ca 0.33 -0.35 -0.10 0.00 -2.44 0.00 0.00 57.07 54.51 3h55 s TYR 119 Cb 0.07 -1.16 -0.01 0.00 0.35 0.00 0.00 41.96 41.21 3h55 s TYR 119 CO 0.10 -0.00 0.39 0.00 -1.34 0.00 0.00 175.55 174.69 3h55 s ALA 120 N -0.55 0.08 -0.07 3.97 0.00 -0.40 -4.93 121.76 119.86 3h55 s ALA 120 Ca 0.08 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3h55 s ALA 120 Cb -0.08 1.12 0.01 0.00 0.00 0.00 0.00 23.12 24.18 3h55 s ALA 120 CO -0.00 -0.78 -0.12 0.34 0.00 0.00 0.00 175.76 175.19 3h55 s ASP 121 N -3.04 1.79 -1.10 0.00 -1.08 -1.26 -0.73 116.67 111.25 3h55 s ASP 121 Ca 0.26 -0.30 -0.21 0.00 -0.52 0.00 0.00 52.55 51.78 3h55 s ASP 121 Cb 0.01 -0.83 0.07 0.00 -1.46 0.00 0.00 42.92 40.71 3h55 s ASP 121 CO 0.09 0.03 1.50 -0.32 0.52 0.00 0.00 175.17 176.99 3h55 s MET 122 N 0.69 3.73 0.00 4.34 -2.45 0.13 0.02 119.30 125.77 3h55 s MET 122 Ca -0.14 -1.49 0.00 0.00 -1.25 0.00 0.00 55.69 52.81 3h55 s MET 122 Cb -0.16 -5.36 0.00 0.00 1.25 0.00 0.00 34.83 30.56 3h55 s MET 122 CO 0.03 -2.17 0.00 0.41 1.05 0.00 0.00 175.02 174.35 3h55 n GLY 123 N 6.22 -1.51 0.24 2.11 0.00 -1.11 -4.49 105.19 106.64 3h55 n GLY 123 Ca 0.37 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 3h55 n GLY 123 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h55 h ASN 124 N 0.00 0.73 -5.27 1.61 2.35 -1.09 -3.05 115.58 110.85 3h55 h ASN 124 Ca 0.00 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.46 3h55 h ASN 124 Cb 0.00 -0.19 -0.15 0.00 0.05 0.00 0.00 38.32 38.04 3h55 h ASN 124 CO 0.00 0.69 -0.59 -0.36 -1.65 0.00 0.00 177.43 175.52 3h55 s PHE 125 N -5.58 0.53 0.95 1.19 0.40 -1.26 -1.72 117.98 112.49 3h55 s PHE 125 Ca -0.13 -1.00 -0.12 0.00 -0.60 0.00 0.00 56.93 55.08 3h55 s PHE 125 Cb 0.12 -0.33 0.16 0.00 0.51 0.00 0.00 43.02 43.48 3h55 s PHE 125 CO 0.78 -0.47 1.09 0.95 0.70 0.00 0.00 175.22 178.27 3h55 s THR 126 N -3.94 2.41 0.50 0.64 -4.23 0.45 -4.41 115.64 107.06 3h55 s THR 126 Ca 0.12 0.13 0.17 0.00 -1.18 0.00 0.00 61.69 60.93 3h55 s THR 126 Cb 0.07 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.62 3h55 s THR 126 CO -0.07 -0.17 2.09 0.00 -0.54 0.00 0.00 174.62 175.93 3h55 n MET 128 N -4.49 1.65 -0.60 0.00 2.81 -1.26 -4.93 117.12 110.30 3h55 n MET 128 Ca 0.02 -0.98 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 3h55 n MET 128 Cb 0.23 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3h55 n MET 128 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h55 n GLY 129 N 1.05 0.67 3.89 3.03 0.00 0.49 -5.05 105.19 109.27 3h55 n GLY 129 Ca 0.14 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3h55 n GLY 129 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h55 s TYR 130 N -2.00 3.32 0.16 1.61 2.02 -1.26 -4.72 117.35 116.47 3h55 s TYR 130 Ca 0.00 1.00 -0.34 0.00 -0.37 0.00 0.00 57.07 57.36 3h55 s TYR 130 Cb 0.00 -3.03 -0.14 0.00 -0.40 0.00 0.00 41.96 38.40 3h55 s TYR 130 CO 0.00 -1.13 1.59 -2.30 -1.57 0.00 0.00 175.55 172.13 3h55 n PRO 131 N -2.95 2.17 -2.78 -1.71 -0.02 -1.26 -0.41 135.00 128.03 3h55 n PRO 131 Ca 0.07 0.78 -0.26 0.00 -2.02 0.00 0.00 63.50 62.07 3h55 n PRO 131 Cb 0.57 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3h55 n PRO 131 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3h55 s GLY 132 N 0.98 1.48 -0.97 -1.23 0.00 -0.70 -4.41 107.32 102.47 3h55 s GLY 132 Ca 0.79 -0.65 -0.15 0.00 0.00 0.00 0.00 44.72 44.71 3h55 s GLY 132 CO 0.38 -0.50 1.05 -1.59 0.00 0.00 0.00 173.10 172.45 3h55 s THR 133 N -2.67 5.28 0.99 0.90 2.01 0.10 -4.85 115.64 117.39 3h55 s THR 133 Ca 0.47 -2.34 -0.12 0.00 0.31 0.00 0.00 61.69 60.01 3h55 s THR 133 Cb -0.10 -4.67 0.18 0.00 0.01 0.00 0.00 72.50 67.92 3h55 s THR 133 CO 0.43 -1.31 1.09 0.42 -0.69 0.00 0.00 174.62 174.55 3h55 s THR 134 N 1.04 2.19 0.36 -0.82 -4.23 -1.21 -2.77 115.64 110.21 3h55 s THR 134 Ca 0.29 0.06 0.12 0.00 -1.18 0.00 0.00 61.69 60.98 3h55 s THR 134 Cb -0.07 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.58 3h55 s THR 134 CO -0.08 -0.08 1.82 -0.07 -0.54 0.00 0.00 174.62 175.67 3h55 h LEU 135 N -1.86 0.60 -0.11 4.79 3.38 -1.95 0.32 115.31 120.48 3h55 h LEU 135 Ca -0.54 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3h55 h LEU 135 Cb 1.32 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3h55 h LEU 135 CO 0.56 0.23 -0.02 -0.90 0.09 0.00 0.00 178.44 178.40 3h55 n ASP 136 N -4.62 0.18 -0.00 -0.43 5.75 -1.26 -3.39 116.55 112.79 3h55 n ASP 136 Ca 0.21 -0.70 0.05 0.00 -0.01 0.00 0.00 54.79 54.34 3h55 n ASP 136 Cb 0.63 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.57 3h55 n ASP 136 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3h55 n LYS 137 N -1.00 3.61 -0.07 0.11 4.76 0.06 -4.75 118.16 120.89 3h55 n LYS 137 Ca 0.19 -0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.55 3h55 n LYS 137 Cb 0.20 -0.98 -0.01 0.00 -1.84 0.00 0.00 35.03 32.40 3h55 n LYS 137 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3h55 h VAL 138 N 0.00 0.39 -0.05 -0.18 2.07 -1.46 0.10 116.25 117.11 3h55 h VAL 138 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3h55 h VAL 138 Cb 0.24 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3h55 h VAL 138 CO 0.00 0.00 0.01 0.58 0.02 0.00 0.00 177.57 178.18 3h55 h VAL 139 N -0.22 1.22 -0.87 2.57 2.07 -1.85 -0.99 116.25 118.18 3h55 h VAL 139 Ca 0.15 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3h55 h VAL 139 Cb 0.46 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 3h55 h VAL 139 CO -0.42 0.18 0.56 -0.61 0.02 0.00 0.00 177.57 177.31 3h55 h GLN 140 N -0.16 1.08 -0.44 1.57 4.15 -1.80 -0.50 115.11 119.01 3h55 h GLN 140 Ca 0.02 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 3h55 h GLN 140 Cb 0.28 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3h55 h GLN 140 CO 0.00 0.71 -0.29 -0.44 -1.93 0.00 0.00 178.83 176.88 3h55 h ASP 141 N 1.11 1.01 -0.74 -0.69 3.45 -0.71 -0.73 116.42 119.13 3h55 h ASP 141 Ca 0.34 -0.42 0.02 0.00 0.43 0.00 0.00 57.03 57.39 3h55 h ASP 141 Cb -0.03 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.41 3h55 h ASP 141 CO -0.10 1.22 0.48 0.00 -1.57 0.00 0.00 179.24 179.27 3h55 h ALA 142 N 0.84 0.95 -0.49 3.45 0.00 -0.71 -0.75 119.26 122.54 3h55 h ALA 142 Ca 0.09 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3h55 h ALA 142 Cb 0.88 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h55 h ALA 142 CO 0.08 0.32 -0.13 1.96 0.00 0.00 0.00 179.25 181.48 3h55 h GLN 143 N 0.97 0.94 0.05 0.00 4.20 -0.96 -1.91 115.11 118.39 3h55 h GLN 143 Ca 0.28 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3h55 h GLN 143 Cb -0.07 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3h55 h GLN 143 CO -0.08 1.01 -0.04 1.15 -0.67 0.00 0.00 178.83 180.20 3h55 h THR 144 N 0.83 0.90 -0.70 -0.54 2.02 -0.76 -0.53 112.91 114.12 3h55 h THR 144 Ca 0.13 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 3h55 h THR 144 Cb 0.67 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3h55 h THR 144 CO 0.05 0.00 0.36 -0.26 0.37 0.00 0.00 175.52 176.04 3h55 h PHE 145 N -0.10 0.99 -0.53 3.16 0.04 -1.06 -0.80 116.94 118.64 3h55 h PHE 145 Ca 0.00 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3h55 h PHE 145 Cb 0.09 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 3h55 h PHE 145 CO -0.09 0.72 0.26 0.00 -0.60 0.00 0.00 178.31 178.60 3h55 h ALA 146 N 1.18 0.69 -0.71 2.45 0.00 -1.24 -1.48 119.26 120.15 3h55 h ALA 146 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3h55 h ALA 146 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3h55 h ALA 146 CO -0.04 0.24 0.32 0.93 0.00 0.00 0.00 179.25 180.71 3h55 h GLU 147 N 0.71 1.01 0.00 0.00 5.08 -0.75 -1.31 114.58 119.33 3h55 h GLU 147 Ca 0.18 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3h55 h GLU 147 Cb 0.10 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3h55 h GLU 147 CO -0.02 0.79 0.00 0.91 -1.00 0.00 0.00 179.01 179.69 3h55 n TRP 148 N -4.32 0.00 -2.83 4.33 8.01 -0.33 -4.89 117.44 117.41 3h55 n TRP 148 Ca 0.07 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.09 3h55 n TRP 148 Cb 0.15 -0.43 0.03 0.00 -2.01 0.00 0.00 31.31 29.05 3h55 n TRP 148 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3h55 n LYS 149 N -1.43 -3.65 -1.92 -0.99 5.02 -0.49 -4.51 118.16 110.19 3h55 n LYS 149 Ca 0.05 0.65 -0.38 0.00 -2.02 0.00 0.00 58.31 56.62 3h55 n LYS 149 Cb 0.16 -4.98 0.03 0.00 -0.02 0.00 0.00 35.03 30.23 3h55 n LYS 149 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h55 s VAL 150 N -3.01 2.38 -0.25 -0.18 1.01 -0.60 -4.80 120.40 114.95 3h55 s VAL 150 Ca 0.23 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.55 3h55 s VAL 150 Cb -0.10 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 3h55 s VAL 150 CO 0.28 -0.02 0.27 0.47 0.00 0.00 0.00 175.10 176.10 3h55 n ASP 151 N -1.07 1.05 -3.71 3.32 8.00 0.13 -4.80 116.55 119.48 3h55 n ASP 151 Ca 0.11 -0.51 -0.13 0.00 0.71 0.00 0.00 54.79 54.97 3h55 n ASP 151 Cb 0.47 1.08 -0.09 0.00 -0.02 0.00 0.00 41.12 42.55 3h55 n ASP 151 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3h55 s MET 152 N -1.87 0.58 -0.10 -1.24 1.75 -1.00 -1.14 119.30 116.28 3h55 s MET 152 Ca 0.01 0.58 0.02 0.00 -1.25 0.00 0.00 55.69 55.06 3h55 s MET 152 Cb 0.05 0.28 0.01 0.00 2.84 0.00 0.00 34.83 38.01 3h55 s MET 152 CO 0.29 -0.08 -0.16 -1.17 -0.65 0.00 0.00 175.02 173.25 3h55 s LEU 153 N 0.09 1.76 -0.31 4.11 2.96 0.65 -0.64 118.68 127.30 3h55 s LEU 153 Ca -0.01 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 3h55 s LEU 153 Cb -0.03 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 3h55 s LEU 153 CO 0.01 0.04 0.20 -0.75 -1.32 0.00 0.00 176.35 174.53 3h55 s LYS 154 N 0.83 3.68 -0.39 1.98 2.20 0.26 -0.49 119.74 127.82 3h55 s LYS 154 Ca -0.10 -0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 54.95 3h55 s LYS 154 Cb -0.16 -3.69 0.08 0.00 -1.51 0.00 0.00 37.83 32.55 3h55 s LYS 154 CO 0.01 -0.31 0.18 -1.17 -0.36 0.00 0.00 175.35 173.70 3h55 s LEU 155 N 1.72 4.86 0.83 5.43 2.96 -0.08 -1.28 118.68 133.11 3h55 s LEU 155 Ca 0.06 -1.55 -0.12 0.00 -0.22 0.00 0.00 54.13 52.31 3h55 s LEU 155 Cb -0.17 -1.89 0.09 0.00 0.50 0.00 0.00 46.19 44.73 3h55 s LEU 155 CO 0.10 -0.46 1.15 -0.62 -1.32 0.00 0.00 176.35 175.19 3h55 s ASP 156 N 1.80 4.31 -0.11 3.68 -1.08 0.09 -2.52 116.67 122.84 3h55 s ASP 156 Ca 0.02 0.94 0.15 0.00 -0.52 0.00 0.00 52.55 53.14 3h55 s ASP 156 Cb -0.22 -1.52 0.34 0.00 -1.46 0.00 0.00 42.92 40.07 3h55 s ASP 156 CO 0.00 -2.04 1.17 0.61 0.52 0.00 0.00 175.17 175.42 3h55 n GLY 157 N -2.81 3.45 3.78 2.66 0.00 -1.26 0.21 105.19 111.22 3h55 n GLY 157 Ca 0.07 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 3h55 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h55 n PHE 159 N -2.44 -1.91 -3.88 0.00 3.01 -1.26 -4.19 117.46 106.79 3h55 n PHE 159 Ca 0.10 0.84 -0.09 0.00 1.01 0.00 0.00 57.45 59.30 3h55 n PHE 159 Cb 0.52 -4.33 -0.07 0.00 -0.01 0.00 0.00 39.48 35.60 3h55 n PHE 159 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3h55 s SER 160 N -4.31 0.02 0.31 4.37 1.04 -1.26 -0.70 113.70 113.17 3h55 s SER 160 Ca 0.04 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 55.80 3h55 s SER 160 Cb -0.02 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 3h55 s SER 160 CO 0.82 -0.84 0.45 0.42 0.98 0.00 0.00 173.24 175.06 3h55 s THR 161 N -3.91 4.64 0.33 2.02 -4.23 -1.26 -4.99 115.64 108.25 3h55 s THR 161 Ca 0.11 -0.90 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 3h55 s THR 161 Cb 0.03 -3.64 0.32 0.00 1.34 0.00 0.00 72.50 70.55 3h55 s THR 161 CO -0.05 -0.28 1.84 -0.65 -0.54 0.00 0.00 174.62 174.94 3h55 h PRO 162 N 0.95 0.73 -0.35 3.99 0.11 -1.99 -1.90 132.00 133.54 3h55 h PRO 162 Ca -0.49 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.42 3h55 h PRO 162 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3h55 h PRO 162 CO 0.57 0.48 -0.41 0.93 -0.21 0.00 0.00 178.00 179.37 3h55 h GLU 163 N 0.75 0.85 -0.67 1.05 5.08 -1.98 -1.55 114.58 118.11 3h55 h GLU 163 Ca 0.50 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3h55 h GLU 163 Cb 0.77 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 3h55 h GLU 163 CO -0.26 1.10 0.21 0.93 -1.00 0.00 0.00 179.01 179.98 3h55 h GLU 164 N 0.69 1.02 -0.22 2.33 5.08 -1.83 -1.69 114.58 119.97 3h55 h GLU 164 Ca 0.05 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 3h55 h GLU 164 Cb 0.98 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 3h55 h GLU 164 CO 0.09 0.87 -0.19 0.00 -1.00 0.00 0.00 179.01 178.79 3h55 h ARG 165 N 0.98 0.51 -0.15 2.33 3.08 -1.29 0.49 114.38 120.34 3h55 h ARG 165 Ca 0.22 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3h55 h ARG 165 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3h55 h ARG 165 CO -0.01 0.83 0.11 0.00 -1.07 0.00 0.00 179.97 179.83 3h55 h ALA 166 N 0.67 2.11 0.14 0.04 0.00 -1.14 -1.84 119.26 119.23 3h55 h ALA 166 Ca 0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 3h55 h ALA 166 Cb 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h55 h ALA 166 CO 0.05 -0.15 -1.65 1.96 0.00 0.00 0.00 179.25 179.46 3h55 h GLN 167 N 0.03 0.29 -0.09 0.00 4.20 -1.17 -3.41 115.11 114.95 3h55 h GLN 167 Ca 0.07 -0.50 -0.15 0.00 0.06 0.00 0.00 58.65 58.13 3h55 h GLN 167 Cb 0.25 0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.22 3h55 h GLN 167 CO -0.00 1.24 -0.53 0.78 -0.67 0.00 0.00 178.83 179.65 3h55 h GLY 168 N 0.44 0.57 0.87 3.46 0.00 0.50 -2.48 103.07 106.44 3h55 h GLY 168 Ca -0.35 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.14 3h55 h GLY 168 CO 0.09 0.74 0.07 -0.97 0.00 0.00 0.00 176.54 176.47 3h55 h TYR 169 N 0.11 0.34 -0.38 5.60 0.05 -1.58 0.15 116.97 121.27 3h55 h TYR 169 Ca -0.04 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 3h55 h TYR 169 Cb 1.18 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 3h55 h TYR 169 CO 0.12 0.41 0.07 -1.35 -1.05 0.00 0.00 178.16 176.36 3h55 h PRO 170 N 0.17 0.57 -0.73 4.88 0.11 -1.80 -1.91 132.00 133.30 3h55 h PRO 170 Ca 0.07 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3h55 h PRO 170 Cb 0.23 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 3h55 h PRO 170 CO -0.00 0.54 0.41 -0.22 -0.21 0.00 0.00 178.00 178.52 3h55 h LYS 171 N 0.56 1.01 -0.33 1.05 3.64 -1.03 -1.12 116.57 120.35 3h55 h LYS 171 Ca 0.13 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 3h55 h LYS 171 Cb 0.25 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3h55 h LYS 171 CO -0.00 0.74 -0.34 1.98 -2.27 0.00 0.00 179.45 179.56 3h55 h MET 172 N 1.00 0.82 -0.52 1.90 4.05 -0.80 -0.49 114.93 120.88 3h55 h MET 172 Ca 0.26 -0.44 0.04 0.00 -0.28 0.00 0.00 59.70 59.28 3h55 h MET 172 Cb 0.02 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 3h55 h MET 172 CO -0.04 1.07 0.28 0.00 0.23 0.00 0.00 176.91 178.45 3h55 h ALA 173 N 0.73 0.67 -0.39 0.39 0.00 -1.18 0.24 119.26 119.72 3h55 h ALA 173 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3h55 h ALA 173 Cb 0.93 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3h55 h ALA 173 CO 0.08 -0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.42 3h55 h ALA 174 N 1.26 0.51 -0.12 0.00 0.00 -1.15 -1.61 119.26 118.15 3h55 h ALA 174 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h55 h ALA 174 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3h55 h ALA 174 CO -0.14 0.14 0.08 0.00 0.00 0.00 0.00 179.25 179.33 3h55 h ALA 175 N 0.97 0.16 -0.54 0.00 0.00 -0.72 -0.17 119.26 118.96 3h55 h ALA 175 Ca 0.13 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3h55 h ALA 175 Cb 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3h55 h ALA 175 CO -0.01 -0.35 0.31 -0.07 0.00 0.00 0.00 179.25 179.14 3h55 h LEU 176 N 0.16 0.49 -0.60 0.00 3.38 -0.50 -2.38 115.31 115.86 3h55 h LEU 176 Ca 0.04 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3h55 h LEU 176 Cb -0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3h55 h LEU 176 CO -0.01 0.34 0.34 -1.13 0.09 0.00 0.00 178.44 178.07 3h55 h ASN 177 N 0.61 0.53 0.39 -0.43 -0.73 -1.03 -2.71 115.58 112.22 3h55 h ASN 177 Ca 0.23 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.40 3h55 h ASN 177 Cb 0.07 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 3h55 h ASN 177 CO -0.12 0.36 -0.06 0.00 -0.37 0.00 0.00 177.43 177.24 3h55 h ALA 178 N 1.29 1.16 0.00 1.57 0.00 -0.53 -2.46 119.26 120.29 3h55 h ALA 178 Ca 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3h55 h ALA 178 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h55 h ALA 178 CO -0.14 0.07 -0.15 1.79 0.00 0.00 0.00 179.25 180.83 3h55 h THR 179 N 0.00 0.43 0.00 0.00 1.35 -1.13 -3.47 112.91 110.09 3h55 h THR 179 Ca -0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3h55 h THR 179 Cb 0.27 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3h55 h THR 179 CO 0.01 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 3h55 n GLY 180 N -0.12 2.24 3.70 5.82 0.00 -0.93 -5.03 105.19 110.88 3h55 n GLY 180 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3h55 n GLY 180 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h55 s ARG 181 N -0.20 4.27 -0.12 1.61 3.52 -1.26 -5.04 118.95 121.73 3h55 s ARG 181 Ca 0.00 0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.64 3h55 s ARG 181 Cb 0.00 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 3h55 s ARG 181 CO 0.00 0.08 1.84 -2.14 -0.81 0.00 0.00 175.30 174.27 3h55 s PRO 182 N 0.89 3.83 -0.14 5.12 0.02 -1.26 -4.79 135.00 138.66 3h55 s PRO 182 Ca 0.23 2.09 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 3h55 s PRO 182 Cb -0.15 -4.13 0.04 0.00 0.02 0.00 0.00 34.50 30.29 3h55 s PRO 182 CO 0.09 -1.28 -0.02 0.42 -0.33 0.00 0.00 177.00 175.87 3h55 s ILE 183 N 5.40 0.80 0.24 2.83 1.01 -1.26 -4.78 121.20 125.44 3h55 s ILE 183 Ca 0.82 -0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.76 3h55 s ILE 183 Cb -0.33 -1.03 -0.12 0.00 0.01 0.00 0.00 42.46 41.00 3h55 s ILE 183 CO 0.34 0.12 1.66 0.00 0.00 0.00 0.00 174.94 177.06 3h55 n ALA 184 N 4.98 2.61 -3.52 9.38 0.00 -0.29 -4.79 120.51 128.88 3h55 n ALA 184 Ca -0.10 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.38 3h55 n ALA 184 Cb 0.48 -2.49 -0.13 0.00 0.00 0.00 0.00 19.45 17.31 3h55 n ALA 184 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3h55 s PHE 185 N 0.68 3.19 -0.30 0.00 5.36 -1.26 -0.26 117.98 125.40 3h55 s PHE 185 Ca 0.71 -1.57 -0.10 0.00 -0.96 0.00 0.00 56.93 55.01 3h55 s PHE 185 Cb -0.51 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.00 3h55 s PHE 185 CO 0.39 -0.74 0.16 0.45 -1.46 0.00 0.00 175.22 174.03 3h55 s SER 186 N 1.34 5.66 -0.10 6.13 0.15 0.35 -0.69 113.70 126.53 3h55 s SER 186 Ca -0.02 -0.33 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 3h55 s SER 186 Cb -0.18 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 3h55 s SER 186 CO -0.01 -0.14 -0.07 0.00 1.20 0.00 0.00 173.24 174.22 3h55 n SER 188 N 2.83 2.95 -0.29 0.00 7.64 -1.05 -0.58 113.62 125.13 3h55 n SER 188 Ca -0.18 -1.93 -0.05 0.00 1.01 0.00 0.00 58.87 57.73 3h55 n SER 188 Cb 0.53 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3h55 n SER 188 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3h55 h TRP 189 N 4.30 -1.14 -0.18 1.43 7.01 -1.81 -1.15 115.95 124.41 3h55 h TRP 189 Ca 0.00 0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.10 3h55 h TRP 189 Cb 0.92 0.61 -0.01 0.00 -2.10 0.00 0.00 29.16 28.59 3h55 h TRP 189 CO 0.05 -0.40 0.12 -1.00 -2.79 0.00 0.00 178.44 174.42 3h55 h PRO 190 N -0.11 0.20 0.00 2.65 0.13 -1.84 -2.15 132.00 130.88 3h55 h PRO 190 Ca 0.26 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.33 3h55 h PRO 190 Cb 0.56 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 3h55 h PRO 190 CO -0.82 0.13 -0.21 0.00 -0.23 0.00 0.00 178.00 176.88 3h55 h ALA 191 N 1.89 1.58 -0.00 -0.56 0.00 -0.68 0.16 119.26 121.65 3h55 h ALA 191 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h55 h ALA 191 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h55 h ALA 191 CO -0.01 0.26 -0.11 0.66 0.00 0.00 0.00 179.25 180.05 3h55 n TYR 192 N -4.18 0.00 -0.04 0.00 4.01 -0.81 -3.70 117.16 112.43 3h55 n TYR 192 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 3h55 n TYR 192 Cb 0.28 -0.29 0.07 0.00 -0.31 0.00 0.00 39.34 39.09 3h55 n TYR 192 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3h55 n GLU 193 N -1.24 2.46 -0.05 -0.72 -0.58 -0.58 -4.97 120.64 114.96 3h55 n GLU 193 Ca 0.11 -1.66 0.00 0.00 -0.42 0.00 0.00 57.16 55.19 3h55 n GLU 193 Cb 0.29 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 3h55 n GLU 193 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h55 n GLY 194 N 0.10 1.01 2.71 0.62 0.00 -1.03 -4.47 105.19 104.13 3h55 n GLY 194 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3h55 n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h55 n GLY 195 N -2.00 0.85 3.14 -0.02 0.00 0.44 -4.98 105.19 102.62 3h55 n GLY 195 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3h55 n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h55 s LEU 196 N 0.00 2.32 0.72 0.99 1.43 -1.26 -4.93 118.68 117.94 3h55 s LEU 196 Ca 0.00 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 3h55 s LEU 196 Cb 0.00 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.93 3h55 s LEU 196 CO 0.00 -0.19 1.19 -2.16 0.23 0.00 0.00 176.35 175.42 3h55 s PRO 197 N -2.09 2.24 0.25 1.29 0.04 -1.23 -0.80 135.00 134.70 3h55 s PRO 197 Ca -0.02 1.69 0.26 0.00 0.04 0.00 0.00 61.00 62.97 3h55 s PRO 197 Cb -0.07 -1.85 0.72 0.00 0.04 0.00 0.00 34.50 33.34 3h55 s PRO 197 CO 0.01 -1.74 1.74 -1.00 0.04 0.00 0.00 177.00 176.05 3h55 h PRO 198 N -0.25 0.00 -0.42 0.56 0.13 -2.01 -3.44 132.00 126.57 3h55 h PRO 198 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3h55 h PRO 198 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3h55 h PRO 198 CO 0.50 0.00 0.13 0.00 -0.23 0.00 0.00 178.00 178.40 3h55 h ARG 199 N 0.00 0.62 -5.34 0.86 3.08 -1.84 -3.40 114.38 108.36 3h55 h ARG 199 Ca 0.00 -0.10 -0.61 0.00 0.07 0.00 0.00 59.98 59.34 3h55 h ARG 199 Cb 0.78 -0.11 -0.12 0.00 0.08 0.00 0.00 29.97 30.61 3h55 h ARG 199 CO 0.00 0.54 -0.50 0.08 -1.07 0.00 0.00 179.97 179.02 3h55 s VAL 200 N -5.22 5.32 -0.50 2.04 1.01 0.02 -5.00 120.40 118.07 3h55 s VAL 200 Ca -0.08 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 3h55 s VAL 200 Cb 0.16 -3.40 0.13 0.00 0.00 0.00 0.00 36.38 33.27 3h55 s VAL 200 CO 0.76 0.48 0.34 -1.58 0.00 0.00 0.00 175.10 175.10 3h55 s GLN 201 N 0.11 2.38 0.45 2.72 0.74 -1.26 -3.48 119.66 121.33 3h55 s GLN 201 Ca 0.09 -1.97 0.24 0.00 0.05 0.00 0.00 55.36 53.76 3h55 s GLN 201 Cb -0.11 -3.79 1.01 0.00 1.10 0.00 0.00 33.01 31.21 3h55 s GLN 201 CO -0.01 -1.15 1.87 1.88 -0.55 0.00 0.00 175.29 177.33 3h55 h TYR 202 N 7.99 0.00 -0.59 1.67 0.05 -1.97 -2.41 116.97 121.72 3h55 h TYR 202 Ca -0.13 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 3h55 h TYR 202 Cb 1.04 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 3h55 h TYR 202 CO 0.64 0.22 0.29 0.66 -1.05 0.00 0.00 178.16 178.92 3h55 h SER 203 N 0.00 0.76 -0.08 3.88 4.64 -1.98 -1.15 113.55 119.62 3h55 h SER 203 Ca -0.00 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 3h55 h SER 203 Cb 0.67 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3h55 h SER 203 CO 0.03 0.67 -0.01 0.25 -0.87 0.00 0.00 176.83 176.90 3h55 h LEU 204 N 0.80 0.15 -0.64 5.97 5.85 -1.91 -3.12 115.31 122.41 3h55 h LEU 204 Ca 0.20 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.67 3h55 h LEU 204 Cb 0.10 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3h55 h LEU 204 CO -0.03 0.45 0.30 -0.07 -0.34 0.00 0.00 178.44 178.75 3h55 h LEU 205 N -0.15 0.38 -1.80 2.25 3.38 -1.36 -0.87 115.31 117.14 3h55 h LEU 205 Ca 0.02 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3h55 h LEU 205 Cb 0.37 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3h55 h LEU 205 CO 0.01 0.23 0.32 0.00 0.09 0.00 0.00 178.44 179.08 3h55 h ALA 206 N 1.39 2.13 0.00 1.53 0.00 -1.24 0.13 119.26 123.20 3h55 h ALA 206 Ca 0.31 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3h55 h ALA 206 Cb 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3h55 h ALA 206 CO -0.25 -0.24 -0.80 -0.44 0.00 0.00 0.00 179.25 177.52 3h55 h ASP 207 N 0.23 0.00 0.00 0.00 5.19 -1.12 0.79 116.42 121.51 3h55 h ASP 207 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3h55 h ASP 207 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 3h55 h ASP 207 CO -0.04 0.61 -0.64 2.30 -3.12 0.00 0.00 179.24 178.36 3h55 n ILE 208 N -3.18 0.00 -4.21 0.35 -5.35 -0.77 -4.33 119.36 101.87 3h55 n ILE 208 Ca -0.01 -0.26 -0.17 0.00 -0.27 0.00 0.00 62.75 62.04 3h55 n ILE 208 Cb 0.80 0.88 -0.13 0.00 -1.74 0.00 0.00 39.64 39.45 3h55 n ILE 208 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h55 h ASN 210 N 4.86 0.00 -4.70 0.00 -0.26 -1.05 -1.88 115.58 112.55 3h55 h ASN 210 Ca -0.36 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.40 3h55 h ASN 210 Cb 1.19 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 38.27 3h55 h ASN 210 CO 0.43 0.60 0.35 -1.48 -1.06 0.00 0.00 177.43 176.28 3h55 s LEU 211 N -6.44 -0.50 -0.03 1.61 2.34 -0.99 -0.79 118.68 113.87 3h55 s LEU 211 Ca 0.03 0.32 -0.02 0.00 0.06 0.00 0.00 54.13 54.51 3h55 s LEU 211 Cb 0.08 2.26 0.02 0.00 -0.56 0.00 0.00 46.19 47.99 3h55 s LEU 211 CO 0.76 -0.62 0.08 -1.66 -1.06 0.00 0.00 176.35 173.85 3h55 s TRP 212 N -2.18 -0.08 -0.36 3.48 -2.14 -0.85 -0.40 118.94 116.41 3h55 s TRP 212 Ca -0.02 0.24 -0.29 0.00 2.66 0.00 0.00 56.10 58.69 3h55 s TRP 212 Cb -0.01 -0.02 0.02 0.00 -3.10 0.00 0.00 33.47 30.36 3h55 s TRP 212 CO -0.02 -0.07 1.13 1.03 -2.66 0.00 0.00 176.95 176.37 3h55 s ARG 213 N 0.35 3.95 0.18 3.25 1.81 0.25 -0.63 118.95 128.10 3h55 s ARG 213 Ca -0.03 0.98 0.16 0.00 -1.72 0.00 0.00 55.73 55.13 3h55 s ARG 213 Cb -0.04 -3.81 -0.03 0.00 -0.45 0.00 0.00 34.95 30.63 3h55 s ARG 213 CO -0.01 -1.06 1.14 -0.91 -0.68 0.00 0.00 175.30 173.77 3h55 h ASN 214 N 8.60 0.00 -1.51 0.23 4.21 -1.88 -2.43 115.58 122.81 3h55 h ASN 214 Ca -0.22 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.29 3h55 h ASN 214 Cb 1.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 3h55 h ASN 214 CO 1.06 0.50 0.00 0.00 -1.29 0.00 0.00 177.43 177.69 3h55 n TYR 215 N -3.03 -0.26 -1.70 1.19 9.36 -1.26 -3.75 117.16 117.70 3h55 n TYR 215 Ca -0.03 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.81 3h55 n TYR 215 Cb 0.77 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.53 3h55 n TYR 215 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3h55 n ASP 216 N -2.13 1.96 -4.69 2.98 8.00 -1.26 -4.89 116.55 116.52 3h55 n ASP 216 Ca 0.00 0.88 -0.44 0.00 0.71 0.00 0.00 54.79 55.94 3h55 n ASP 216 Cb 0.00 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 39.55 3h55 n ASP 216 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h55 n ASP 217 N -1.25 3.16 -4.76 -2.24 9.92 -1.26 -4.90 116.55 115.22 3h55 n ASP 217 Ca 0.13 1.12 -0.40 0.00 -0.53 0.00 0.00 54.79 55.11 3h55 n ASP 217 Cb 0.46 -1.47 -0.04 0.00 -0.64 0.00 0.00 41.12 39.43 3h55 n ASP 217 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3h55 s ILE 218 N 0.30 3.44 0.30 0.53 2.07 -1.26 -5.06 121.20 121.51 3h55 s ILE 218 Ca 0.71 1.44 0.10 0.00 -1.41 0.00 0.00 60.65 61.48 3h55 s ILE 218 Cb -0.62 -3.91 -0.05 0.00 0.13 0.00 0.00 42.46 38.02 3h55 s ILE 218 CO 0.45 0.33 -0.06 -1.10 -1.91 0.00 0.00 174.94 172.65 3h55 s GLN 219 N -1.52 2.01 -1.05 3.50 -1.52 -1.26 -5.00 119.66 114.83 3h55 s GLN 219 Ca 0.45 -1.68 -0.17 0.00 -1.95 0.00 0.00 55.36 52.02 3h55 s GLN 219 Cb -0.32 -1.93 -0.08 0.00 -0.22 0.00 0.00 33.01 30.45 3h55 s GLN 219 CO 0.41 0.25 2.10 -3.47 -0.25 0.00 0.00 175.29 174.34 3h55 n ASP 220 N -0.84 3.61 -3.60 5.90 2.03 -1.26 -4.66 116.55 117.72 3h55 n ASP 220 Ca -0.05 -2.68 -0.15 0.00 0.52 0.00 0.00 54.79 52.43 3h55 n ASP 220 Cb 0.61 -1.30 -0.06 0.00 -0.72 0.00 0.00 41.12 39.64 3h55 n ASP 220 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3h55 s SER 221 N 4.08 -0.45 0.27 1.67 1.04 -1.26 -4.03 113.70 115.02 3h55 s SER 221 Ca 0.53 0.35 -0.00 0.00 0.48 0.00 0.00 55.95 57.31 3h55 s SER 221 Cb 0.14 0.46 0.38 0.00 0.10 0.00 0.00 66.02 67.11 3h55 s SER 221 CO 0.03 -0.61 1.76 -0.25 0.98 0.00 0.00 173.24 175.15 3h55 h TRP 222 N 3.14 0.74 -0.83 5.02 -0.00 -1.87 -2.53 115.95 119.62 3h55 h TRP 222 Ca -0.29 -0.11 0.09 0.00 -0.00 0.00 0.00 58.89 58.58 3h55 h TRP 222 Cb 1.18 -0.20 -0.07 0.00 -0.00 0.00 0.00 29.16 30.06 3h55 h TRP 222 CO 0.41 0.73 0.48 2.35 -0.00 0.00 0.00 178.44 182.41 3h55 h TRP 223 N 0.64 0.87 -0.42 2.65 7.01 -1.95 -0.92 115.95 123.83 3h55 h TRP 223 Ca 0.12 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.08 3h55 h TRP 223 Cb 0.49 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 3h55 h TRP 223 CO 0.02 0.36 -0.01 1.03 -2.79 0.00 0.00 178.44 177.05 3h55 h SER 224 N 0.80 0.73 -0.33 2.65 0.87 -1.74 -1.49 113.55 115.05 3h55 h SER 224 Ca 0.40 -0.32 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3h55 h SER 224 Cb 0.36 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3h55 h SER 224 CO -0.25 0.87 0.12 0.58 -0.53 0.00 0.00 176.83 177.62 3h55 h VAL 225 N 0.57 0.92 -0.90 2.23 2.07 -1.19 -2.29 116.25 117.66 3h55 h VAL 225 Ca 0.12 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3h55 h VAL 225 Cb 0.50 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3h55 h VAL 225 CO 0.02 0.05 0.48 -0.07 0.02 0.00 0.00 177.57 178.07 3h55 h LEU 226 N 0.26 1.13 -0.51 2.57 3.38 -1.01 0.34 115.31 121.47 3h55 h LEU 226 Ca 0.15 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3h55 h LEU 226 Cb 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3h55 h LEU 226 CO -0.15 0.91 -0.59 0.77 0.09 0.00 0.00 178.44 179.48 3h55 h SER 227 N 1.26 0.56 -0.01 -0.43 4.64 -1.07 0.24 113.55 118.74 3h55 h SER 227 Ca 0.31 -0.31 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h55 h SER 227 Cb 0.04 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3h55 h SER 227 CO -0.05 1.02 -0.01 0.40 -0.87 0.00 0.00 176.83 177.33 3h55 h ILE 228 N 0.38 1.33 -0.59 0.95 2.04 -1.21 -2.30 117.51 118.09 3h55 h ILE 228 Ca -0.00 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 64.96 3h55 h ILE 228 Cb 1.13 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 39.11 3h55 h ILE 228 CO 0.11 0.26 0.25 -0.07 0.00 0.00 0.00 178.15 178.70 3h55 h LEU 229 N -0.37 0.30 -0.65 1.44 3.38 -0.87 -1.59 115.31 116.95 3h55 h LEU 229 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3h55 h LEU 229 Cb 0.42 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3h55 h LEU 229 CO 0.00 0.19 0.34 -1.13 0.09 0.00 0.00 178.44 177.93 3h55 h ASN 230 N 0.46 0.82 -0.44 -0.43 -1.24 -0.94 -1.16 115.58 112.65 3h55 h ASN 230 Ca 0.29 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.17 3h55 h ASN 230 Cb 0.30 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 3h55 h ASN 230 CO -0.26 0.69 0.18 -0.25 -1.29 0.00 0.00 177.43 176.51 3h55 h TRP 231 N 0.89 0.67 -0.21 0.67 7.01 -0.98 0.77 115.95 124.77 3h55 h TRP 231 Ca 0.23 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.12 3h55 h TRP 231 Cb 0.07 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 3h55 h TRP 231 CO -0.00 0.57 -0.14 0.74 -2.79 0.00 0.00 178.44 176.82 3h55 h PHE 232 N 0.57 0.37 -0.02 2.65 0.04 -1.12 -2.47 116.94 116.96 3h55 h PHE 232 Ca 0.15 -0.05 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 3h55 h PHE 232 Cb 0.18 -0.10 0.01 0.00 2.20 0.00 0.00 35.95 38.24 3h55 h PHE 232 CO -0.00 0.48 -0.46 0.28 -0.60 0.00 0.00 178.31 178.00 3h55 h VAL 233 N 0.32 1.46 -0.84 -0.55 2.07 -0.90 -2.19 116.25 115.61 3h55 h VAL 233 Ca 0.06 -1.98 0.15 0.00 0.82 0.00 0.00 66.70 65.75 3h55 h VAL 233 Cb 0.44 2.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 3h55 h VAL 233 CO 0.03 0.57 0.55 -0.33 0.02 0.00 0.00 177.57 178.40 3h55 h GLU 234 N -0.21 0.57 -0.29 1.57 5.08 -0.77 -2.58 114.58 117.95 3h55 h GLU 234 Ca -0.05 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3h55 h GLU 234 Cb 1.18 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 3h55 h GLU 234 CO 0.09 0.37 -0.04 0.72 -1.00 0.00 0.00 179.01 179.16 3h55 n HIS 235 N -4.53 0.95 0.18 4.33 8.25 -0.94 -4.74 115.22 118.71 3h55 n HIS 235 Ca 0.16 -1.28 0.03 0.00 -0.26 0.00 0.00 57.72 56.38 3h55 n HIS 235 Cb 0.50 -0.40 0.41 0.00 1.12 0.00 0.00 29.99 31.62 3h55 n HIS 235 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 3h55 h GLN 236 N 1.22 0.07 -0.82 -0.41 3.07 -0.97 -1.37 115.11 115.90 3h55 h GLN 236 Ca 0.12 -0.02 0.08 0.00 0.09 0.00 0.00 58.65 58.92 3h55 h GLN 236 Cb 1.53 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 29.02 3h55 h GLN 236 CO 0.29 0.31 0.54 -0.44 0.09 0.00 0.00 178.83 179.62 3h55 h ASP 237 N 0.07 0.75 0.13 0.06 3.32 -1.85 0.71 116.42 119.61 3h55 h ASP 237 Ca 0.01 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 3h55 h ASP 237 Cb 0.46 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 39.89 3h55 h ASP 237 CO 0.03 0.46 -0.82 0.40 -1.72 0.00 0.00 179.24 177.59 3h55 h ILE 238 N 0.84 1.48 0.16 0.35 2.04 -1.83 -3.41 117.51 117.14 3h55 h ILE 238 Ca 0.37 -2.51 -0.33 0.00 1.00 0.00 0.00 64.86 63.39 3h55 h ILE 238 Cb 0.33 3.16 0.01 0.00 -0.74 0.00 0.00 36.82 39.58 3h55 h ILE 238 CO -0.14 0.71 -1.59 -0.07 0.00 0.00 0.00 178.15 177.05 3h55 h LEU 239 N -0.41 0.53 -0.35 1.44 3.38 -0.88 -3.37 115.31 115.66 3h55 h LEU 239 Ca -0.15 -0.73 0.05 0.00 0.09 0.00 0.00 57.88 57.14 3h55 h LEU 239 Cb 1.61 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 3h55 h LEU 239 CO 0.13 1.60 0.10 -0.61 0.09 0.00 0.00 178.44 179.75 3h55 h GLN 240 N 0.09 0.23 0.00 1.13 -0.00 -1.11 -2.95 115.11 112.50 3h55 h GLN 240 Ca -0.28 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.32 3h55 h GLN 240 Cb 2.07 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 29.49 3h55 h GLN 240 CO 0.18 0.15 -0.18 -1.35 0.00 0.00 0.00 178.83 177.63 3h55 h PRO 241 N 0.23 0.00 0.00 -2.39 0.11 -1.77 -3.16 132.00 125.02 3h55 h PRO 241 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3h55 h PRO 241 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3h55 h PRO 241 CO -0.19 0.18 0.00 1.33 -0.21 0.00 0.00 178.00 179.11 3h55 n VAL 242 N -3.64 0.63 -3.29 3.15 0.24 -1.11 -4.82 118.33 109.49 3h55 n VAL 242 Ca -0.01 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.34 61.75 3h55 n VAL 242 Cb 0.31 -0.67 -0.06 0.00 -1.47 0.00 0.00 33.84 31.95 3h55 n VAL 242 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h55 s ALA 243 N -3.14 3.46 0.00 2.33 0.00 -1.19 -4.85 121.76 118.37 3h55 s ALA 243 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.93 3h55 s ALA 243 Cb 0.12 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3h55 s ALA 243 CO 0.57 0.43 0.00 0.41 0.00 0.00 0.00 175.76 177.17 3h55 n GLY 244 N -0.14 -0.72 3.67 0.00 0.00 -0.43 -4.65 105.19 102.91 3h55 n GLY 244 Ca 0.01 -1.09 -0.54 0.00 0.00 0.00 0.00 46.02 44.39 3h55 n GLY 244 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h55 n PRO 245 N -0.36 1.33 0.00 1.61 -0.02 -1.26 -0.73 135.00 135.57 3h55 n PRO 245 Ca 0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3h55 n PRO 245 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3h55 n PRO 245 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h55 n GLY 246 N 3.73 1.57 2.92 -1.23 0.00 0.51 -4.88 105.19 107.80 3h55 n GLY 246 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 3h55 n GLY 246 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h55 s HIS 247 N -2.36 -1.00 0.10 1.61 -3.43 0.10 -2.14 115.29 108.16 3h55 s HIS 247 Ca 0.00 0.41 0.07 0.00 -0.80 0.00 0.00 55.06 54.74 3h55 s HIS 247 Cb 0.00 -0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 3h55 s HIS 247 CO 0.00 -0.95 -0.09 -1.58 -2.00 0.00 0.00 174.74 170.11 3h55 s TRP 248 N 2.55 2.76 0.31 0.38 0.52 0.02 -1.31 118.94 124.17 3h55 s TRP 248 Ca 0.10 -0.15 -0.28 0.00 0.02 0.00 0.00 56.10 55.79 3h55 s TRP 248 Cb -0.13 -1.44 -0.10 0.00 -1.15 0.00 0.00 33.47 30.65 3h55 s TRP 248 CO -0.28 0.43 1.15 -0.80 0.02 0.00 0.00 176.95 177.46 3h55 s ASN 249 N -2.19 7.05 -0.32 2.95 0.01 -1.26 -2.00 114.94 119.18 3h55 s ASN 249 Ca 0.21 2.35 0.03 0.00 -0.71 0.00 0.00 52.86 54.75 3h55 s ASN 249 Cb -0.11 -2.63 0.09 0.00 0.41 0.00 0.00 41.25 39.01 3h55 s ASN 249 CO 0.14 -0.31 0.02 -0.62 -1.51 0.00 0.00 177.10 174.82 3h55 s ASP 250 N -0.87 4.64 0.00 -1.22 2.15 0.19 -4.39 116.67 117.17 3h55 s ASP 250 Ca 0.48 -1.96 0.12 0.00 0.43 0.00 0.00 52.55 51.62 3h55 s ASP 250 Cb -0.33 -1.56 0.71 0.00 -0.30 0.00 0.00 42.92 41.45 3h55 s ASP 250 CO 0.42 -0.34 1.45 -0.81 -0.17 0.00 0.00 175.17 175.72 3h55 n PRO 251 N 4.33 0.99 0.00 4.34 -0.04 -1.26 -3.45 135.00 139.92 3h55 n PRO 251 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3h55 n PRO 251 Cb 0.42 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3h55 n PRO 251 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3h55 n ASP 252 N -0.69 0.00 -4.74 3.54 -0.08 -1.26 -4.77 116.55 108.56 3h55 n ASP 252 Ca 0.09 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.04 3h55 n ASP 252 Cb 0.04 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.58 3h55 n ASP 252 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3h55 s MET 253 N -0.82 2.33 0.29 -0.67 -1.94 -1.26 -4.87 119.30 112.36 3h55 s MET 253 Ca 0.00 1.57 -0.29 0.00 -1.71 0.00 0.00 55.69 55.26 3h55 s MET 253 Cb 0.00 -1.88 -0.09 0.00 2.01 0.00 0.00 34.83 34.87 3h55 s MET 253 CO 0.00 -1.65 1.03 -0.51 -0.01 0.00 0.00 175.02 173.89 3h55 s LEU 254 N -5.18 4.50 0.00 -0.03 1.43 -0.17 -4.97 118.68 114.26 3h55 s LEU 254 Ca 0.70 2.11 0.24 0.00 -1.03 0.00 0.00 54.13 56.15 3h55 s LEU 254 Cb -0.25 -3.73 0.18 0.00 0.03 0.00 0.00 46.19 42.42 3h55 s LEU 254 CO 0.45 -0.10 1.23 0.18 0.23 0.00 0.00 176.35 178.34 3h55 n LEU 255 N 1.04 2.54 -4.71 1.79 4.77 -1.26 -3.63 117.00 117.54 3h55 n LEU 255 Ca -0.00 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.68 3h55 n LEU 255 Cb 0.46 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3h55 n LEU 255 CO 0.51 0.44 1.30 -0.63 -1.33 0.00 0.00 177.39 177.68 3h55 s ILE 256 N -2.18 2.55 0.00 -0.08 1.01 -1.26 -1.98 121.20 119.25 3h55 s ILE 256 Ca 0.25 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.22 3h55 s ILE 256 Cb 0.19 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.46 3h55 s ILE 256 CO 0.40 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3h55 n GLY 257 N 3.89 0.37 0.00 6.18 0.00 -1.26 -4.78 105.19 109.59 3h55 n GLY 257 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h55 n GLY 257 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h55 n ASN 258 N 0.00 0.00 -0.04 1.61 3.02 -0.84 -4.75 115.26 114.27 3h55 n ASN 258 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 3h55 n ASN 258 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3h55 n ASN 258 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h55 n PHE 259 N 0.00 0.00 0.12 3.10 3.72 -1.26 -4.76 117.46 118.39 3h55 n PHE 259 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3h55 n PHE 259 Cb 0.00 -0.36 -0.01 0.00 -0.94 0.00 0.00 39.48 38.17 3h55 n PHE 259 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h55 n GLY 260 N 2.52 -1.42 3.73 1.37 0.00 -1.26 -4.89 105.19 105.25 3h55 n GLY 260 Ca -0.12 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 3h55 n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h55 s LEU 261 N -5.22 4.09 1.06 0.99 1.43 -1.26 -4.30 118.68 115.47 3h55 s LEU 261 Ca -0.01 0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 3h55 s LEU 261 Cb 0.10 -2.03 0.22 0.00 0.03 0.00 0.00 46.19 44.52 3h55 s LEU 261 CO 0.80 0.25 1.11 -0.94 0.23 0.00 0.00 176.35 177.80 3h55 s SER 262 N -0.08 2.12 0.13 2.29 1.04 -1.26 -4.76 113.70 113.18 3h55 s SER 262 Ca 0.09 0.93 -0.20 0.00 0.48 0.00 0.00 55.95 57.25 3h55 s SER 262 Cb -0.12 -1.43 -0.01 0.00 0.10 0.00 0.00 66.02 64.56 3h55 s SER 262 CO 0.00 -3.42 1.69 0.25 0.98 0.00 0.00 173.24 172.75 3h55 h LEU 263 N -2.09 -0.28 -0.79 2.42 5.85 -1.99 -0.42 115.31 118.00 3h55 h LEU 263 Ca -0.51 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.30 3h55 h LEU 263 Cb 1.32 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 3h55 h LEU 263 CO 0.50 -0.11 0.52 -0.33 -0.34 0.00 0.00 178.44 178.68 3h55 h GLU 264 N -0.05 1.02 -0.26 1.25 4.39 -1.92 -1.32 114.58 117.69 3h55 h GLU 264 Ca 0.11 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 3h55 h GLU 264 Cb 0.21 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3h55 h GLU 264 CO -0.25 0.68 -0.32 1.96 -1.16 0.00 0.00 179.01 179.92 3h55 h GLN 265 N 1.05 0.55 -0.29 2.33 4.20 -1.50 -0.42 115.11 121.03 3h55 h GLN 265 Ca 0.30 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3h55 h GLN 265 Cb -0.09 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3h55 h GLN 265 CO -0.08 0.80 -0.04 0.77 -0.67 0.00 0.00 178.83 179.61 3h55 h SER 266 N 0.47 0.54 -0.34 1.46 0.02 -0.65 -1.08 113.55 113.97 3h55 h SER 266 Ca 0.06 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3h55 h SER 266 Cb 0.78 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 3h55 h SER 266 CO 0.06 0.76 0.13 0.03 -1.14 0.00 0.00 176.83 176.67 3h55 h ARG 267 N 0.31 0.57 -0.19 3.45 3.08 -1.12 -2.81 114.38 117.67 3h55 h ARG 267 Ca 0.08 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3h55 h ARG 267 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3h55 h ARG 267 CO 0.02 0.50 0.00 0.00 -1.07 0.00 0.00 179.97 179.43 3h55 h ALA 268 N 1.58 0.26 -0.70 0.04 0.00 -0.73 -2.39 119.26 117.32 3h55 h ALA 268 Ca 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3h55 h ALA 268 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3h55 h ALA 268 CO -0.01 -0.03 0.27 0.37 0.00 0.00 0.00 179.25 179.86 3h55 h GLN 269 N 0.10 1.05 -0.03 0.00 4.15 -1.10 -0.25 115.11 119.03 3h55 h GLN 269 Ca 0.06 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.28 3h55 h GLN 269 Cb 0.39 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 3h55 h GLN 269 CO 0.01 0.87 0.02 1.98 -1.93 0.00 0.00 178.83 179.78 3h55 h MET 270 N 1.00 0.04 -0.64 1.69 4.05 -1.48 0.26 114.93 119.84 3h55 h MET 270 Ca 0.23 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 3h55 h MET 270 Cb 0.22 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 3h55 h MET 270 CO -0.02 0.03 0.34 0.00 0.23 0.00 0.00 176.91 177.50 3h55 h ALA 271 N 1.00 0.82 -0.09 0.39 0.00 -1.20 -1.69 119.26 118.50 3h55 h ALA 271 Ca 0.01 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 3h55 h ALA 271 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.55 3h55 h ALA 271 CO -0.00 0.34 -0.87 -0.07 0.00 0.00 0.00 179.25 178.66 3h55 h LEU 272 N 0.87 0.87 -1.12 0.00 3.38 -0.90 -1.84 115.31 116.57 3h55 h LEU 272 Ca 0.22 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 3h55 h LEU 272 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3h55 h LEU 272 CO -0.03 1.41 0.07 -0.50 0.09 0.00 0.00 178.44 179.48 3h55 h TRP 273 N 0.46 0.71 -0.06 1.13 -0.00 -0.91 -2.40 115.95 114.88 3h55 h TRP 273 Ca -0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.74 3h55 h TRP 273 Cb 1.50 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 30.45 3h55 h TRP 273 CO 0.09 0.63 0.02 1.15 -0.00 0.00 0.00 178.44 180.33 3h55 h THR 274 N 0.67 1.18 0.00 1.49 2.02 -1.12 -0.97 112.91 116.17 3h55 h THR 274 Ca 0.15 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3h55 h THR 274 Cb 0.30 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3h55 h THR 274 CO 0.00 0.15 -0.02 -0.37 0.37 0.00 0.00 175.52 175.65 3h55 h VAL 275 N -0.10 0.07 -0.14 3.16 -1.51 -1.23 -1.92 116.25 114.58 3h55 h VAL 275 Ca 0.02 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 3h55 h VAL 275 Cb 0.22 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3h55 h VAL 275 CO -0.00 0.02 0.00 0.18 -1.23 0.00 0.00 177.57 176.54 3h55 n LEU 276 N -3.14 1.22 -3.94 4.19 4.77 -0.92 0.12 117.00 119.30 3h55 n LEU 276 Ca -0.01 -0.52 -0.27 0.00 -0.03 0.00 0.00 56.01 55.18 3h55 n LEU 276 Cb 0.25 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3h55 n LEU 276 CO 0.26 0.26 -0.10 0.00 -1.33 0.00 0.00 177.39 176.48 3h55 n ALA 277 N 0.04 -1.75 -2.37 -1.18 0.00 -0.72 -4.60 120.51 109.93 3h55 n ALA 277 Ca 0.15 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 3h55 n ALA 277 Cb 0.25 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 3h55 n ALA 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h55 s ALA 278 N -3.66 3.50 0.46 0.00 0.00 -0.38 -4.74 121.76 116.93 3h55 s ALA 278 Ca 0.25 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 3h55 s ALA 278 Cb -0.13 -2.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.42 3h55 s ALA 278 CO 0.87 0.09 1.01 -2.30 0.00 0.00 0.00 175.76 175.43 3h55 n PRO 279 N -1.21 1.30 -3.40 0.00 -0.02 -1.26 -4.81 135.00 125.61 3h55 n PRO 279 Ca 0.00 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 3h55 n PRO 279 Cb 0.54 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 3h55 n PRO 279 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3h55 n LEU 280 N 0.24 4.97 -4.32 2.45 4.77 -0.39 -4.89 117.00 119.84 3h55 n LEU 280 Ca 0.10 -5.17 -0.42 0.00 -0.03 0.00 0.00 56.01 50.48 3h55 n LEU 280 Cb 0.41 -1.17 -0.09 0.00 -2.33 0.00 0.00 43.42 40.24 3h55 n LEU 280 CO 0.55 1.61 -0.03 -0.76 -1.33 0.00 0.00 177.39 177.43 3h55 s LEU 281 N -1.85 5.44 0.69 2.23 1.43 -1.26 -1.61 118.68 123.75 3h55 s LEU 281 Ca 0.31 -1.47 -0.14 0.00 -1.03 0.00 0.00 54.13 51.80 3h55 s LEU 281 Cb -0.02 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.14 3h55 s LEU 281 CO -0.05 -0.61 1.11 -0.04 0.23 0.00 0.00 176.35 176.99 3h55 s MET 282 N 1.52 2.63 -0.44 1.70 -1.94 -0.17 -1.00 119.30 121.60 3h55 s MET 282 Ca 0.04 1.34 0.06 0.00 -1.71 0.00 0.00 55.69 55.42 3h55 s MET 282 Cb -0.24 -1.93 0.18 0.00 2.01 0.00 0.00 34.83 34.84 3h55 s MET 282 CO 0.04 -1.37 0.56 0.45 -0.01 0.00 0.00 175.02 174.68 3h55 s SER 283 N -2.78 -0.43 0.21 3.03 0.15 -1.24 -0.07 113.70 112.56 3h55 s SER 283 Ca 0.66 -1.59 -0.22 0.00 0.70 0.00 0.00 55.95 55.50 3h55 s SER 283 Cb -0.20 1.27 0.05 0.00 -1.71 0.00 0.00 66.02 65.44 3h55 s SER 283 CO 0.45 -0.15 0.64 0.28 1.20 0.00 0.00 173.24 175.66 3h55 s THR 284 N 1.20 0.00 -0.77 6.45 -1.32 -1.26 -3.96 115.64 115.98 3h55 s THR 284 Ca 0.23 -0.42 -0.26 0.00 -1.21 0.00 0.00 61.69 60.03 3h55 s THR 284 Cb -0.05 -1.40 0.04 0.00 -1.51 0.00 0.00 72.50 69.58 3h55 s THR 284 CO -0.07 -0.01 1.27 -0.62 -2.21 0.00 0.00 174.62 172.98 3h55 s ASP 285 N -2.82 6.20 0.00 8.08 -1.08 -1.26 -4.85 116.67 120.94 3h55 s ASP 285 Ca 0.05 -0.63 0.11 0.00 -0.52 0.00 0.00 52.55 51.55 3h55 s ASP 285 Cb -0.03 -2.55 0.48 0.00 -1.46 0.00 0.00 42.92 39.36 3h55 s ASP 285 CO -0.05 -1.76 1.31 0.18 0.52 0.00 0.00 175.17 175.37 3h55 n LEU 286 N 9.13 0.00 0.14 -1.34 4.77 -1.26 -1.97 117.00 126.46 3h55 n LEU 286 Ca 0.06 0.44 0.03 0.00 -0.03 0.00 0.00 56.01 56.51 3h55 n LEU 286 Cb 0.49 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3h55 n LEU 286 CO 0.70 -0.28 0.45 0.03 -1.33 0.00 0.00 177.39 176.95 3h55 h ARG 287 N 0.00 0.00 0.00 3.23 3.08 -1.93 -3.36 114.38 115.40 3h55 h ARG 287 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h55 h ARG 287 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3h55 h ARG 287 CO 0.00 0.45 0.00 0.25 -1.07 0.00 0.00 179.97 179.60 3h55 n THR 288 N -3.19 0.56 -1.74 2.04 -2.24 -0.89 -5.07 114.28 103.74 3h55 n THR 288 Ca 0.01 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 3h55 n THR 288 Cb 0.73 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 3h55 n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h55 n ILE 289 N -0.28 1.12 -1.65 2.28 3.06 -0.83 -4.97 119.36 118.08 3h55 n ILE 289 Ca 0.00 -0.28 -0.32 0.00 -2.50 0.00 0.00 62.75 59.65 3h55 n ILE 289 Cb 0.32 -1.93 0.05 0.00 0.54 0.00 0.00 39.64 38.62 3h55 n ILE 289 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3h55 s SER 290 N 0.42 5.15 0.32 9.51 1.04 -1.26 -4.87 113.70 124.01 3h55 s SER 290 Ca 0.63 1.83 0.01 0.00 0.48 0.00 0.00 55.95 58.90 3h55 s SER 290 Cb -0.50 -2.53 0.54 0.00 0.10 0.00 0.00 66.02 63.62 3h55 s SER 290 CO 0.50 -1.60 1.91 0.00 0.98 0.00 0.00 173.24 175.04 3h55 h ALA 291 N -0.35 1.38 -0.17 5.32 0.00 -1.98 -0.22 119.26 123.24 3h55 h ALA 291 Ca -0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3h55 h ALA 291 Cb 1.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3h55 h ALA 291 CO 0.55 0.47 0.06 0.37 0.00 0.00 0.00 179.25 180.70 3h55 h GLN 292 N 0.77 0.25 -0.54 0.00 4.15 -1.99 0.47 115.11 118.23 3h55 h GLN 292 Ca 0.19 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.46 3h55 h GLN 292 Cb 0.13 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3h55 h GLN 292 CO -0.02 0.35 -0.03 -0.91 -1.93 0.00 0.00 178.83 176.29 3h55 h ASN 293 N 0.10 0.93 -0.77 -0.69 2.35 -1.92 -2.78 115.58 112.80 3h55 h ASN 293 Ca 0.05 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3h55 h ASN 293 Cb 0.20 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 3h55 h ASN 293 CO -0.00 1.00 0.45 -0.03 -1.65 0.00 0.00 177.43 177.20 3h55 h MET 294 N 0.87 1.06 -0.09 0.81 4.05 -0.85 -2.36 114.93 118.41 3h55 h MET 294 Ca 0.15 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3h55 h MET 294 Cb 0.55 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 3h55 h MET 294 CO 0.03 0.76 0.00 -0.44 0.23 0.00 0.00 176.91 177.49 3h55 h ASP 295 N 1.06 0.11 0.31 1.39 3.32 -0.76 0.69 116.42 122.54 3h55 h ASP 295 Ca 0.28 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3h55 h ASP 295 Cb -0.01 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3h55 h ASP 295 CO -0.05 0.14 -0.15 0.40 -1.72 0.00 0.00 179.24 177.86 3h55 h ILE 296 N 0.12 0.55 0.00 0.35 2.04 -1.18 -2.95 117.51 116.45 3h55 h ILE 296 Ca 0.03 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 3h55 h ILE 296 Cb 0.09 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3h55 h ILE 296 CO 0.00 0.12 -0.22 -0.07 0.00 0.00 0.00 178.15 177.98 3h55 h LEU 297 N -0.91 0.00 -2.93 1.44 3.38 -1.19 -2.99 115.31 112.11 3h55 h LEU 297 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h55 h LEU 297 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3h55 h LEU 297 CO 0.07 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.82 3h55 n GLN 298 N -3.72 3.10 -1.61 1.13 6.02 0.21 -4.93 117.38 117.57 3h55 n GLN 298 Ca -0.01 -2.62 -0.43 0.00 -0.01 0.00 0.00 57.00 53.93 3h55 n GLN 298 Cb 0.33 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 3h55 n GLN 298 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3h55 n ASN 299 N 1.13 3.49 -0.21 1.08 2.85 -1.11 -4.89 115.26 117.60 3h55 n ASN 299 Ca 0.22 0.40 -0.09 0.00 -0.11 0.00 0.00 54.58 55.01 3h55 n ASN 299 Cb 0.68 -1.54 0.02 0.00 1.24 0.00 0.00 39.78 40.18 3h55 n ASN 299 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3h55 h PRO 300 N 13.76 1.00 -0.48 1.20 0.11 -1.92 -1.69 132.00 143.99 3h55 h PRO 300 Ca -0.43 -0.28 -0.13 0.00 0.11 0.00 0.00 66.00 65.26 3h55 h PRO 300 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3h55 h PRO 300 CO 0.96 0.96 -0.22 1.25 -0.21 0.00 0.00 178.00 180.74 3h55 h LEU 301 N 0.90 1.01 -0.38 2.35 5.85 -1.91 -0.40 115.31 122.73 3h55 h LEU 301 Ca 0.18 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3h55 h LEU 301 Cb 0.46 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3h55 h LEU 301 CO 0.02 1.18 0.17 -0.03 -0.34 0.00 0.00 178.44 179.44 3h55 h MET 302 N 0.85 0.35 -0.51 1.25 4.05 -1.82 -0.64 114.93 118.45 3h55 h MET 302 Ca 0.11 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 3h55 h MET 302 Cb 0.79 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 3h55 h MET 302 CO 0.07 0.23 0.09 0.82 0.23 0.00 0.00 176.91 178.35 3h55 h ILE 303 N 0.36 1.25 -0.64 1.77 2.04 -1.19 -0.30 117.51 120.79 3h55 h ILE 303 Ca 0.17 -0.92 0.09 0.00 1.00 0.00 0.00 64.86 65.20 3h55 h ILE 303 Cb 0.10 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3h55 h ILE 303 CO -0.14 0.33 0.28 0.50 0.00 0.00 0.00 178.15 179.12 3h55 h LYS 304 N 0.72 0.48 -0.15 2.37 3.64 -0.76 0.17 116.57 123.03 3h55 h LYS 304 Ca 0.16 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3h55 h LYS 304 Cb 0.38 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3h55 h LYS 304 CO 0.01 0.32 0.02 0.82 -2.27 0.00 0.00 179.45 178.35 3h55 h ILE 305 N 0.49 1.22 -0.64 2.00 2.04 -0.75 -2.35 117.51 119.53 3h55 h ILE 305 Ca 0.32 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.49 3h55 h ILE 305 Cb 0.36 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3h55 h ILE 305 CO -0.28 0.22 0.38 -1.13 0.00 0.00 0.00 178.15 177.34 3h55 h ASN 306 N 0.04 0.61 -0.19 1.72 -0.73 -0.67 -2.58 115.58 113.77 3h55 h ASN 306 Ca 0.05 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.23 3h55 h ASN 306 Cb 0.31 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.78 3h55 h ASN 306 CO 0.00 0.41 0.00 0.00 -0.37 0.00 0.00 177.43 177.48 3h55 n GLN 307 N -4.74 1.93 -1.66 6.67 1.13 0.56 -4.59 117.38 116.69 3h55 n GLN 307 Ca 0.07 -0.88 -0.47 0.00 -1.94 0.00 0.00 57.00 53.78 3h55 n GLN 307 Cb 0.11 -1.54 -0.04 0.00 0.11 0.00 0.00 30.24 28.88 3h55 n GLN 307 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3h55 n ASP 308 N 0.17 2.87 0.30 1.08 2.03 -0.89 -4.86 116.55 117.24 3h55 n ASP 308 Ca 0.08 1.09 0.17 0.00 0.52 0.00 0.00 54.79 56.65 3h55 n ASP 308 Cb 0.41 -1.39 0.93 0.00 -0.72 0.00 0.00 41.12 40.35 3h55 n ASP 308 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3h55 h PRO 309 N 5.66 0.00 -0.05 -0.67 0.13 -1.92 -1.97 132.00 133.18 3h55 h PRO 309 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 3h55 h PRO 309 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3h55 h PRO 309 CO 0.87 0.04 -0.42 -0.07 -0.23 0.00 0.00 178.00 178.18 3h55 h LEU 310 N 0.00 0.11 0.10 1.56 3.38 -1.93 -3.47 115.31 115.06 3h55 h LEU 310 Ca -0.00 -0.04 -0.41 0.00 0.09 0.00 0.00 57.88 57.52 3h55 h LEU 310 Cb 0.14 -0.03 0.07 0.00 0.09 0.00 0.00 40.66 40.93 3h55 h LEU 310 CO 0.00 0.52 -0.65 0.61 0.09 0.00 0.00 178.44 179.02 3h55 n GLY 311 N -0.24 -0.53 3.59 0.83 0.00 -0.74 -4.60 105.19 103.50 3h55 n GLY 311 Ca -0.02 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3h55 n GLY 311 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h55 s ILE 312 N -3.22 4.93 0.32 -0.61 1.01 -1.26 -3.92 121.20 118.45 3h55 s ILE 312 Ca 0.45 0.79 -0.29 0.00 0.00 0.00 0.00 60.65 61.61 3h55 s ILE 312 Cb -0.21 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 3h55 s ILE 312 CO 0.56 -0.17 1.46 -1.58 0.00 0.00 0.00 174.94 175.20 3h55 s GLN 313 N 2.62 4.20 0.96 2.79 0.74 -1.26 -4.59 119.66 125.13 3h55 s GLN 313 Ca 0.25 2.43 -0.16 0.00 0.05 0.00 0.00 55.36 57.93 3h55 s GLN 313 Cb -0.15 -3.03 0.22 0.00 1.10 0.00 0.00 33.01 31.15 3h55 s GLN 313 CO 0.12 -0.45 1.29 0.41 -0.55 0.00 0.00 175.29 176.12 3h55 n GLY 314 N 1.28 -1.54 3.12 2.59 0.00 0.12 -4.83 105.19 105.92 3h55 n GLY 314 Ca 0.03 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 3h55 n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h55 s ARG 315 N -5.82 0.60 -0.22 1.61 0.52 -0.50 -4.81 118.95 110.34 3h55 s ARG 315 Ca 0.73 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.90 3h55 s ARG 315 Cb -0.02 0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.68 3h55 s ARG 315 CO 0.52 -0.15 1.27 0.50 0.02 0.00 0.00 175.30 177.46 3h55 s ARG 316 N -2.64 4.11 -0.02 3.54 3.52 -1.26 -0.67 118.95 125.52 3h55 s ARG 316 Ca -0.05 1.49 0.21 0.00 -0.13 0.00 0.00 55.73 57.25 3h55 s ARG 316 Cb -0.01 -3.81 -0.29 0.00 -1.56 0.00 0.00 34.95 29.28 3h55 s ARG 316 CO -0.05 -0.87 0.59 0.44 -0.81 0.00 0.00 175.30 174.61 3h55 n ILE 317 N 5.70 0.00 -3.73 4.11 -5.35 0.92 -4.96 119.36 116.06 3h55 n ILE 317 Ca 0.14 -0.33 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 3h55 n ILE 317 Cb 0.46 0.34 -0.09 0.00 -1.74 0.00 0.00 39.64 38.61 3h55 n ILE 317 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3h55 s HIS 318 N -3.28 -0.38 -0.06 4.28 5.04 -1.05 -5.00 115.29 114.84 3h55 s HIS 318 Ca -0.03 0.85 -0.03 0.00 -1.54 0.00 0.00 55.06 54.31 3h55 s HIS 318 Cb 0.14 0.15 0.03 0.00 0.04 0.00 0.00 32.58 32.95 3h55 s HIS 318 CO 0.86 -0.29 0.14 0.21 -2.34 0.00 0.00 174.74 173.31 3h55 s LYS 319 N -0.34 0.10 0.26 2.88 2.20 -1.26 -1.17 119.74 122.41 3h55 s LYS 319 Ca -0.05 0.32 0.11 0.00 -0.36 0.00 0.00 55.97 55.99 3h55 s LYS 319 Cb -0.03 -0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.11 3h55 s LYS 319 CO 0.02 -0.13 -0.19 -1.21 -0.36 0.00 0.00 175.35 173.48 3h55 s GLU 320 N 0.92 1.58 0.59 4.03 2.02 -0.90 -5.03 118.70 121.90 3h55 s GLU 320 Ca -0.07 -1.71 0.38 0.00 0.02 0.00 0.00 54.97 53.59 3h55 s GLU 320 Cb -0.09 -1.60 1.80 0.00 0.10 0.00 0.00 34.13 34.35 3h55 s GLU 320 CO -0.05 0.29 2.13 1.57 0.02 0.00 0.00 175.26 179.23 3h55 h LYS 321 N 2.40 0.00 0.00 1.61 2.10 -2.02 -0.58 116.57 120.07 3h55 h LYS 321 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 3h55 h LYS 321 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3h55 h LYS 321 CO 0.60 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.92 3h55 n SER 322 N -3.04 0.00 -0.98 7.07 3.41 -1.26 -4.85 113.62 113.96 3h55 n SER 322 Ca -0.01 -0.24 -0.12 0.00 -0.26 0.00 0.00 58.87 58.25 3h55 n SER 322 Cb 0.20 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 3h55 n SER 322 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h55 n LEU 323 N -1.13 -0.99 -4.73 1.04 4.77 -0.23 -4.74 117.00 111.00 3h55 n LEU 323 Ca 0.10 0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.92 3h55 n LEU 323 Cb 0.08 -1.82 -0.06 0.00 -2.33 0.00 0.00 43.42 39.30 3h55 n LEU 323 CO 0.10 -0.50 0.15 -0.63 -1.33 0.00 0.00 177.39 175.18 3h55 s ILE 324 N -2.46 5.19 0.01 -0.08 -1.09 -1.25 -1.50 121.20 120.01 3h55 s ILE 324 Ca 0.00 0.91 0.05 0.00 -2.23 0.00 0.00 60.65 59.38 3h55 s ILE 324 Cb 0.00 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 3h55 s ILE 324 CO 0.00 0.35 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.30 3h55 s GLU 325 N 0.52 2.29 -0.13 2.79 2.02 1.00 -2.12 118.70 125.06 3h55 s GLU 325 Ca 0.25 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.41 3h55 s GLU 325 Cb -0.15 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.77 3h55 s GLU 325 CO 0.10 0.57 -0.20 0.08 0.02 0.00 0.00 175.26 175.83 3h55 s VAL 326 N -0.90 2.24 0.06 2.63 1.01 -0.31 -0.28 120.40 124.84 3h55 s VAL 326 Ca 0.15 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3h55 s VAL 326 Cb -0.11 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3h55 s VAL 326 CO 0.05 0.54 -0.06 -0.31 0.00 0.00 0.00 175.10 175.32 3h55 s TYR 327 N 0.70 2.86 -0.03 5.22 1.51 0.03 -0.05 117.35 127.60 3h55 s TYR 327 Ca -0.09 -0.07 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3h55 s TYR 327 Cb -0.16 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.18 3h55 s TYR 327 CO 0.01 0.42 -0.00 1.41 -1.11 0.00 0.00 175.55 176.28 3h55 s MET 328 N -1.90 0.26 -0.15 -0.62 1.75 0.15 -1.09 119.30 117.71 3h55 s MET 328 Ca 0.21 0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.72 3h55 s MET 328 Cb -0.11 -0.43 0.02 0.00 2.84 0.00 0.00 34.83 37.15 3h55 s MET 328 CO 0.12 -0.12 -0.15 0.50 -0.65 0.00 0.00 175.02 174.73 3h55 s ARG 329 N 0.90 2.37 0.32 4.11 3.52 -0.22 -1.40 118.95 128.55 3h55 s ARG 329 Ca -0.09 -0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 54.63 3h55 s ARG 329 Cb -0.12 -2.13 -0.10 0.00 -1.56 0.00 0.00 34.95 31.04 3h55 s ARG 329 CO -0.02 -0.20 1.27 -2.14 -0.81 0.00 0.00 175.30 173.40 3h55 s PRO 330 N 1.38 4.41 0.34 5.12 0.02 -1.26 -0.72 135.00 144.30 3h55 s PRO 330 Ca 0.03 2.13 0.04 0.00 0.02 0.00 0.00 61.00 63.22 3h55 s PRO 330 Cb -0.13 -3.10 -0.06 0.00 0.02 0.00 0.00 34.50 31.23 3h55 s PRO 330 CO -0.09 -0.12 0.06 -0.51 -0.33 0.00 0.00 177.00 176.01 3h55 s LEU 331 N -1.65 2.18 0.69 -5.54 1.43 0.13 -4.61 118.68 111.31 3h55 s LEU 331 Ca 0.48 -1.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.01 3h55 s LEU 331 Cb -0.38 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.49 3h55 s LEU 331 CO 0.50 -0.66 1.14 -0.94 0.23 0.00 0.00 176.35 176.62 3h55 s SER 332 N -3.52 4.73 -1.19 2.29 1.04 -1.26 -3.63 113.70 112.15 3h55 s SER 332 Ca 0.34 2.11 -0.05 0.00 0.48 0.00 0.00 55.95 58.82 3h55 s SER 332 Cb 0.08 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.64 3h55 s SER 332 CO 0.15 -1.89 0.69 0.59 0.98 0.00 0.00 173.24 173.75 3h55 n ASN 333 N -2.62 -5.38 -0.56 7.02 3.02 -1.26 -3.04 115.26 112.44 3h55 n ASN 333 Ca 0.11 -0.32 -0.07 0.00 -0.03 0.00 0.00 54.58 54.27 3h55 n ASN 333 Cb 0.51 -4.12 -0.03 0.00 -0.61 0.00 0.00 39.78 35.53 3h55 n ASN 333 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3h55 n LYS 334 N -3.70 -1.44 -2.48 3.52 4.76 -1.25 -4.84 118.16 112.74 3h55 n LYS 334 Ca -0.05 0.70 -0.26 0.00 -2.87 0.00 0.00 58.31 55.83 3h55 n LYS 334 Cb 0.58 -4.93 0.03 0.00 -1.84 0.00 0.00 35.03 28.87 3h55 n LYS 334 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h55 s ALA 335 N -1.80 3.37 0.05 7.82 0.00 -1.17 -4.55 121.76 125.48 3h55 s ALA 335 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3h55 s ALA 335 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 3h55 s ALA 335 CO 0.00 -0.75 -0.04 -1.12 0.00 0.00 0.00 175.76 173.84 3h55 s SER 336 N -4.30 0.58 -0.13 0.00 0.01 0.58 -0.69 113.70 109.75 3h55 s SER 336 Ca 0.53 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 3h55 s SER 336 Cb -0.10 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 3h55 s SER 336 CO 0.44 -0.46 -0.09 0.00 0.41 0.00 0.00 173.24 173.54 3h55 s ALA 337 N -2.95 2.80 -0.09 1.44 0.00 0.10 -0.28 121.76 122.78 3h55 s ALA 337 Ca -0.00 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3h55 s ALA 337 Cb 0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3h55 s ALA 337 CO -0.06 0.28 -0.19 -0.51 0.00 0.00 0.00 175.76 175.29 3h55 s LEU 338 N 0.19 2.40 -0.21 0.00 1.43 0.08 -1.05 118.68 121.52 3h55 s LEU 338 Ca -0.05 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3h55 s LEU 338 Cb -0.15 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.61 3h55 s LEU 338 CO 0.04 0.21 -0.16 -0.69 0.23 0.00 0.00 176.35 175.98 3h55 s VAL 339 N 0.07 2.19 -0.31 -1.59 1.01 -0.25 -0.13 120.40 121.39 3h55 s VAL 339 Ca -0.08 -1.12 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 3h55 s VAL 339 Cb -0.15 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3h55 s VAL 339 CO 0.05 0.36 0.40 -0.36 0.00 0.00 0.00 175.10 175.55 3h55 s PHE 340 N 1.25 3.22 -0.13 5.22 0.08 0.83 -0.79 117.98 127.65 3h55 s PHE 340 Ca 0.01 0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.27 3h55 s PHE 340 Cb -0.15 -2.68 0.01 0.00 -0.57 0.00 0.00 43.02 39.63 3h55 s PHE 340 CO -0.10 -0.37 -0.20 0.12 -0.10 0.00 0.00 175.22 174.57 3h55 s PHE 341 N 2.12 2.51 -0.30 0.36 5.99 0.62 -0.61 117.98 128.66 3h55 s PHE 341 Ca 0.14 -1.26 -0.12 0.00 0.00 0.00 0.00 56.93 55.70 3h55 s PHE 341 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 43.02 41.10 3h55 s PHE 341 CO 0.11 -0.59 0.22 0.45 -0.00 0.00 0.00 175.22 175.42 3h55 s SER 342 N 0.86 6.05 -0.01 6.13 0.15 -0.19 -0.00 113.70 126.69 3h55 s SER 342 Ca -0.07 -0.13 0.16 0.00 0.70 0.00 0.00 55.95 56.62 3h55 s SER 342 Cb -0.15 -2.13 0.48 0.00 -1.71 0.00 0.00 66.02 62.50 3h55 s SER 342 CO -0.02 -0.13 1.40 0.00 1.20 0.00 0.00 173.24 175.69 3h55 s ARG 344 N -1.33 2.92 -0.16 0.00 0.52 -1.26 -4.80 118.95 114.84 3h55 s ARG 344 Ca 0.36 1.42 0.15 0.00 -0.52 0.00 0.00 55.73 57.14 3h55 s ARG 344 Cb 0.19 -1.96 0.43 0.00 0.52 0.00 0.00 34.95 34.13 3h55 s ARG 344 CO 0.24 -1.16 1.20 0.25 0.02 0.00 0.00 175.30 175.85 3h55 n THR 345 N -2.20 1.61 0.00 0.02 -2.24 -1.26 -2.65 114.28 107.56 3h55 n THR 345 Ca 0.11 -2.73 0.00 0.00 -2.27 0.00 0.00 64.05 59.16 3h55 n THR 345 Cb 0.52 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3h55 n THR 345 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h55 n ASP 346 N -0.62 0.00 -3.72 3.42 5.75 -1.26 -5.09 116.55 115.03 3h55 n ASP 346 Ca 0.17 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.91 3h55 n ASP 346 Cb 0.85 -0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 40.76 3h55 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h55 s MET 347 N -0.97 1.45 0.39 0.11 0.23 -1.26 -4.97 119.30 114.28 3h55 s MET 347 Ca 0.00 -0.82 -0.24 0.00 -1.03 0.00 0.00 55.69 53.60 3h55 s MET 347 Cb 0.00 0.48 -0.12 0.00 -1.53 0.00 0.00 34.83 33.66 3h55 s MET 347 CO 0.00 -0.67 0.80 -2.30 -2.03 0.00 0.00 175.02 170.83 3h55 n PRO 348 N -0.49 0.97 -4.90 3.16 -0.02 -1.26 -4.33 135.00 128.13 3h55 n PRO 348 Ca -0.05 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.51 3h55 n PRO 348 Cb 0.60 -1.75 -0.16 0.00 -0.02 0.00 0.00 33.50 32.16 3h55 n PRO 348 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3h55 s TYR 349 N -1.31 1.84 -0.61 6.00 5.04 0.22 -4.94 117.35 123.60 3h55 s TYR 349 Ca 0.63 -0.54 -0.20 0.00 -2.44 0.00 0.00 57.07 54.52 3h55 s TYR 349 Cb -0.61 -1.23 0.09 0.00 0.35 0.00 0.00 41.96 40.56 3h55 s TYR 349 CO 0.57 -0.18 0.78 1.03 -1.34 0.00 0.00 175.55 176.41 3h55 s ARG 350 N 0.03 3.07 -0.29 4.97 0.52 -1.26 -0.54 118.95 125.45 3h55 s ARG 350 Ca -0.04 -1.15 -0.20 0.00 -0.52 0.00 0.00 55.73 53.82 3h55 s ARG 350 Cb -0.12 -4.25 -0.01 0.00 0.52 0.00 0.00 34.95 31.09 3h55 s ARG 350 CO 0.03 -1.60 0.60 -0.47 0.02 0.00 0.00 175.30 173.87 3h55 s TYR 351 N 3.09 3.23 -0.24 -0.53 5.04 0.11 -4.90 117.35 123.14 3h55 s TYR 351 Ca 0.15 0.59 -0.10 0.00 -2.44 0.00 0.00 57.07 55.27 3h55 s TYR 351 Cb -0.22 -2.92 -0.05 0.00 0.35 0.00 0.00 41.96 39.13 3h55 s TYR 351 CO 0.08 -0.43 0.16 -1.01 -1.34 0.00 0.00 175.55 173.01 3h55 s HIS 352 N 2.52 3.30 0.03 4.97 3.76 -1.26 -1.18 115.29 127.43 3h55 s HIS 352 Ca 0.24 0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 55.34 3h55 s HIS 352 Cb -0.15 -2.27 0.00 0.00 1.11 0.00 0.00 32.58 31.27 3h55 s HIS 352 CO 0.11 0.04 0.04 0.45 -0.85 0.00 0.00 174.74 174.53 3h55 n SER 353 N 4.34 -0.13 -3.58 1.40 2.88 -0.66 -5.01 113.62 112.86 3h55 n SER 353 Ca -0.15 -1.13 -0.13 0.00 -1.33 0.00 0.00 58.87 56.13 3h55 n SER 353 Cb 0.52 0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 64.15 3h55 n SER 353 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3h55 s SER 354 N -1.16 -0.41 0.40 -3.46 1.04 -1.26 -1.22 113.70 107.63 3h55 s SER 354 Ca 0.02 0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.59 3h55 s SER 354 Cb -0.00 0.49 0.82 0.00 0.10 0.00 0.00 66.02 67.43 3h55 s SER 354 CO 0.01 -0.76 2.01 -0.07 0.98 0.00 0.00 173.24 175.42 3h55 h LEU 355 N 2.67 0.44 -1.23 2.42 3.38 -1.75 -1.99 115.31 119.24 3h55 h LEU 355 Ca -0.32 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3h55 h LEU 355 Cb 1.23 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3h55 h LEU 355 CO 0.42 0.38 0.06 1.23 0.09 0.00 0.00 178.44 180.62 3h55 h GLY 356 N 0.60 0.63 2.00 0.83 0.00 -0.78 -1.32 103.07 105.03 3h55 h GLY 356 Ca 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3h55 h GLY 356 CO -0.02 0.33 -0.03 1.46 0.00 0.00 0.00 176.54 178.28 3h55 h GLN 357 N 0.57 0.00 -0.86 4.80 4.20 -1.59 -2.95 115.11 119.28 3h55 h GLN 357 Ca 0.13 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.51 3h55 h GLN 357 Cb 0.27 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.85 3h55 h GLN 357 CO 0.00 0.03 0.42 1.28 -0.67 0.00 0.00 178.83 179.90 3h55 n LEU 358 N -3.13 6.31 -2.02 1.46 4.77 -0.58 -4.93 117.00 118.88 3h55 n LEU 358 Ca 0.02 -3.32 -0.16 0.00 -0.03 0.00 0.00 56.01 52.51 3h55 n LEU 358 Cb 0.39 -0.78 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 3h55 n LEU 358 CO 0.30 0.89 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.93 3h55 n ASN 359 N -0.52 -4.86 -4.71 -1.43 2.85 -1.11 -5.01 115.26 100.47 3h55 n ASN 359 Ca 0.48 -0.09 -0.38 0.00 -0.11 0.00 0.00 54.58 54.47 3h55 n ASN 359 Cb 1.49 -3.88 -0.06 0.00 1.24 0.00 0.00 39.78 38.57 3h55 n ASN 359 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3h55 s PHE 360 N -2.88 3.50 0.35 1.20 0.08 -0.69 -5.03 117.98 114.50 3h55 s PHE 360 Ca 0.09 0.92 0.09 0.00 0.12 0.00 0.00 56.93 58.16 3h55 s PHE 360 Cb -0.04 -2.60 -0.06 0.00 -0.57 0.00 0.00 43.02 39.75 3h55 s PHE 360 CO 0.11 0.12 -0.01 0.95 -0.10 0.00 0.00 175.22 176.29 3h55 s THR 361 N 0.78 2.49 0.00 0.64 -4.23 -1.26 -4.29 115.64 109.77 3h55 s THR 361 Ca 0.27 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3h55 s THR 361 Cb -0.15 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.91 3h55 s THR 361 CO 0.11 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3h55 n GLY 362 N -0.92 -3.54 1.85 3.99 0.00 -1.26 -4.63 105.19 100.67 3h55 n GLY 362 Ca -0.04 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.86 3h55 n GLY 362 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h55 n SER 363 N -0.24 3.99 -4.73 1.61 3.41 -1.26 -4.78 113.62 111.62 3h55 n SER 363 Ca 0.00 -3.72 -0.41 0.00 -0.26 0.00 0.00 58.87 54.48 3h55 n SER 363 Cb 0.00 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.16 3h55 n SER 363 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h55 s VAL 364 N -3.63 3.93 -0.17 -3.33 1.01 -1.26 -5.03 120.40 111.92 3h55 s VAL 364 Ca 0.53 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 63.92 3h55 s VAL 364 Cb 0.45 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3h55 s VAL 364 CO 0.04 0.21 0.29 -0.63 0.00 0.00 0.00 175.10 175.01 3h55 s ILE 365 N 0.28 5.30 0.29 2.22 1.01 -1.26 -4.43 121.20 124.62 3h55 s ILE 365 Ca 0.53 0.52 0.09 0.00 0.00 0.00 0.00 60.65 61.79 3h55 s ILE 365 Cb -0.29 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3h55 s ILE 365 CO 0.33 0.37 0.08 -0.31 0.00 0.00 0.00 174.94 175.41 3h55 s TYR 366 N 0.60 2.75 0.02 3.97 2.02 0.17 -1.41 117.35 125.48 3h55 s TYR 366 Ca 0.16 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 3h55 s TYR 366 Cb -0.13 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 3h55 s TYR 366 CO 0.04 0.50 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.39 3h55 s GLU 367 N -3.76 0.85 -0.01 -0.62 2.12 0.71 -1.31 118.70 116.69 3h55 s GLU 367 Ca 0.34 -0.62 0.07 0.00 0.36 0.00 0.00 54.97 55.12 3h55 s GLU 367 Cb -0.05 -0.83 -0.02 0.00 0.26 0.00 0.00 34.13 33.50 3h55 s GLU 367 CO 0.22 0.21 -0.23 0.00 -0.54 0.00 0.00 175.26 174.92 3h55 s ALA 368 N -0.70 1.90 -0.21 6.30 0.00 -0.01 -1.00 121.76 128.04 3h55 s ALA 368 Ca 0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3h55 s ALA 368 Cb -0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 3h55 s ALA 368 CO 0.01 0.46 -0.03 -1.14 0.00 0.00 0.00 175.76 175.06 3h55 s GLN 369 N -0.61 3.49 -0.09 0.00 0.74 0.45 -0.49 119.66 123.14 3h55 s GLN 369 Ca 0.09 -0.58 -0.29 0.00 0.05 0.00 0.00 55.36 54.62 3h55 s GLN 369 Cb -0.09 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 3h55 s GLN 369 CO -0.01 -0.08 1.69 0.34 -0.55 0.00 0.00 175.29 176.68 3h55 s ASP 370 N 1.20 6.53 0.33 6.67 -1.08 0.13 -0.19 116.67 130.27 3h55 s ASP 370 Ca 0.03 2.10 0.04 0.00 -0.52 0.00 0.00 52.55 54.20 3h55 s ASP 370 Cb -0.14 -2.53 0.60 0.00 -1.46 0.00 0.00 42.92 39.38 3h55 s ASP 370 CO -0.00 -1.06 1.87 0.58 0.52 0.00 0.00 175.17 177.08 3h55 h VAL 371 N 5.78 1.20 0.12 1.11 2.07 -1.18 0.11 116.25 125.46 3h55 h VAL 371 Ca -0.39 -0.81 -0.31 0.00 0.82 0.00 0.00 66.70 66.01 3h55 h VAL 371 Cb 1.18 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3h55 h VAL 371 CO 0.96 0.28 -1.63 1.88 0.02 0.00 0.00 177.57 179.08 3h55 h TYR 372 N 0.49 0.46 0.00 1.57 0.05 -1.91 -3.40 116.97 114.23 3h55 h TYR 372 Ca 0.10 -0.33 -0.04 0.00 0.05 0.00 0.00 58.73 58.51 3h55 h TYR 372 Cb 0.35 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3h55 h TYR 372 CO 0.01 1.64 -0.92 0.66 -1.05 0.00 0.00 178.16 178.50 3h55 h SER 373 N -0.20 0.00 0.00 3.88 4.64 -1.93 -3.48 113.55 116.46 3h55 h SER 373 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3h55 h SER 373 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3h55 h SER 373 CO 0.06 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3h55 n GLY 374 N 1.22 1.74 3.76 -0.77 0.00 0.39 -5.02 105.19 106.52 3h55 n GLY 374 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3h55 n GLY 374 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h55 s ASP 375 N -3.36 6.07 -0.16 1.61 1.01 -1.25 -4.65 116.67 115.93 3h55 s ASP 375 Ca 0.00 2.59 -0.04 0.00 0.71 0.00 0.00 52.55 55.81 3h55 s ASP 375 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 3h55 s ASP 375 CO 0.00 -1.01 -0.04 -0.63 0.21 0.00 0.00 175.17 173.70 3h55 s ILE 376 N -1.34 3.79 -0.25 0.77 1.01 -1.26 -0.70 121.20 123.22 3h55 s ILE 376 Ca 0.61 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.83 3h55 s ILE 376 Cb -0.36 -2.67 -0.00 0.00 0.01 0.00 0.00 42.46 39.44 3h55 s ILE 376 CO 0.45 0.48 0.01 -0.63 0.00 0.00 0.00 174.94 175.26 3h55 s ILE 377 N 0.51 3.64 0.26 2.92 1.09 0.36 -4.98 121.20 125.00 3h55 s ILE 377 Ca -0.03 -0.58 0.08 0.00 -1.10 0.00 0.00 60.65 59.02 3h55 s ILE 377 Cb -0.14 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.45 3h55 s ILE 377 CO 0.03 0.27 0.12 -0.94 -0.10 0.00 0.00 174.94 174.32 3h55 s SER 378 N 1.49 5.16 -0.71 3.58 1.04 -1.26 -0.83 113.70 122.16 3h55 s SER 378 Ca 0.04 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 3h55 s SER 378 Cb -0.16 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.77 3h55 s SER 378 CO -0.01 -0.02 0.46 0.61 0.98 0.00 0.00 173.24 175.26 3h55 n GLY 379 N -1.06 0.17 3.54 7.32 0.00 -1.19 -4.99 105.19 108.98 3h55 n GLY 379 Ca -0.07 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 3h55 n GLY 379 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h55 s LEU 380 N -3.83 4.12 0.32 0.99 1.43 -0.42 -4.91 118.68 116.38 3h55 s LEU 380 Ca 0.23 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 3h55 s LEU 380 Cb -0.10 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 3h55 s LEU 380 CO 0.28 -1.08 0.43 -0.13 0.23 0.00 0.00 176.35 176.09 3h55 s ARG 381 N 3.69 3.09 0.46 1.70 0.52 -1.26 0.46 118.95 127.61 3h55 s ARG 381 Ca 0.33 -1.03 0.22 0.00 -0.52 0.00 0.00 55.73 54.73 3h55 s ARG 381 Cb -0.12 -2.78 1.21 0.00 0.52 0.00 0.00 34.95 33.79 3h55 s ARG 381 CO 0.23 0.11 1.88 -0.44 0.02 0.00 0.00 175.30 177.09 3h55 h ASP 382 N 0.98 0.26 1.18 0.23 3.45 -1.86 -1.29 116.42 119.36 3h55 h ASP 382 Ca -0.46 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3h55 h ASP 382 Cb 1.25 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3h55 h ASP 382 CO 0.54 0.11 -0.75 -0.33 -1.57 0.00 0.00 179.24 177.24 3h55 h GLU 383 N 0.26 0.00 -6.37 3.56 3.07 -1.96 0.20 114.58 113.35 3h55 h GLU 383 Ca 0.43 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.76 3h55 h GLU 383 Cb 1.28 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.21 3h55 h GLU 383 CO -0.12 0.00 1.20 0.99 -1.40 0.00 0.00 179.01 179.68 3h55 s THR 384 N -3.31 3.02 0.11 1.13 2.01 -0.49 -4.95 115.64 113.16 3h55 s THR 384 Ca 0.02 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3h55 s THR 384 Cb 0.09 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.47 3h55 s THR 384 CO 0.76 -0.01 1.10 0.20 -0.69 0.00 0.00 174.62 175.97 3h55 s ASN 385 N 4.07 7.25 0.15 3.53 0.01 -1.26 -4.33 114.94 124.36 3h55 s ASN 385 Ca 0.86 1.97 0.04 0.00 -0.71 0.00 0.00 52.86 55.01 3h55 s ASN 385 Cb -0.42 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.61 3h55 s ASN 385 CO 0.39 -0.29 -0.09 0.72 -1.51 0.00 0.00 177.10 176.33 3h55 s PHE 386 N 0.38 1.25 -0.04 2.20 -0.12 -0.36 -5.01 117.98 116.28 3h55 s PHE 386 Ca 0.52 -0.78 0.04 0.00 -0.05 0.00 0.00 56.93 56.66 3h55 s PHE 386 Cb -0.27 -0.65 -0.00 0.00 -0.63 0.00 0.00 43.02 41.47 3h55 s PHE 386 CO 0.31 0.05 -0.17 0.99 -0.05 0.00 0.00 175.22 176.36 3h55 s THR 387 N -3.36 1.41 0.01 -4.49 2.01 -1.26 -1.65 115.64 108.31 3h55 s THR 387 Ca 0.17 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.53 3h55 s THR 387 Cb 0.03 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 3h55 s THR 387 CO 0.01 0.41 -0.22 0.68 -0.69 0.00 0.00 174.62 174.81 3h55 s VAL 388 N 0.01 1.71 -0.34 3.82 -7.23 -0.32 -4.95 120.40 113.11 3h55 s VAL 388 Ca -0.03 -1.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.96 3h55 s VAL 388 Cb -0.11 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 3h55 s VAL 388 CO 0.02 0.37 0.24 -0.63 -0.31 0.00 0.00 175.10 174.79 3h55 s ILE 389 N -0.63 5.24 -0.19 -0.62 1.01 -1.26 0.05 121.20 124.80 3h55 s ILE 389 Ca 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 3h55 s ILE 389 Cb -0.09 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 3h55 s ILE 389 CO 0.00 -0.01 -0.10 -0.63 0.00 0.00 0.00 174.94 174.21 3h55 s ILE 390 N 1.72 3.02 0.51 2.92 1.01 0.30 -4.84 121.20 125.84 3h55 s ILE 390 Ca 0.06 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 3h55 s ILE 390 Cb -0.17 -2.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 3h55 s ILE 390 CO 0.10 0.48 1.04 0.20 0.00 0.00 0.00 174.94 176.75 3h55 s ASN 391 N 1.11 6.26 0.38 3.58 0.01 -1.26 -0.61 114.94 124.41 3h55 s ASN 391 Ca 0.01 1.87 -0.28 0.00 -0.71 0.00 0.00 52.86 53.75 3h55 s ASN 391 Cb -0.14 -2.55 -0.11 0.00 0.41 0.00 0.00 41.25 38.85 3h55 s ASN 391 CO -0.03 -0.84 1.49 -0.81 -1.51 0.00 0.00 177.10 175.40 3h55 n PRO 392 N -1.23 2.67 -2.84 -0.60 -0.04 -1.26 -1.24 135.00 130.45 3h55 n PRO 392 Ca 0.09 0.93 -0.17 0.00 -0.04 0.00 0.00 63.50 64.31 3h55 n PRO 392 Cb 0.53 -2.66 -0.00 0.00 -0.04 0.00 0.00 33.50 31.32 3h55 n PRO 392 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3h55 n SER 393 N 0.47 -3.98 -4.00 3.54 3.41 -0.74 -4.86 113.62 107.47 3h55 n SER 393 Ca 0.01 -0.07 -0.24 0.00 -0.26 0.00 0.00 58.87 58.31 3h55 n SER 393 Cb 0.39 -3.33 -0.08 0.00 -0.26 0.00 0.00 64.21 60.92 3h55 n SER 393 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3h55 s GLY 394 N -2.35 2.55 0.11 5.00 0.00 -0.37 -3.30 107.32 108.96 3h55 s GLY 394 Ca 0.18 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.56 3h55 s GLY 394 CO 0.22 -1.77 -0.10 -1.34 0.00 0.00 0.00 173.10 170.12 3h55 s VAL 395 N -3.26 0.96 -0.11 1.40 -7.23 -1.26 -1.03 120.40 109.87 3h55 s VAL 395 Ca 0.27 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 3h55 s VAL 395 Cb 0.02 -1.53 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 3h55 s VAL 395 CO 0.17 -0.65 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.42 3h55 s VAL 396 N -2.83 2.44 -0.08 1.32 1.01 0.22 -4.79 120.40 117.70 3h55 s VAL 396 Ca 0.09 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3h55 s VAL 396 Cb -0.00 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 3h55 s VAL 396 CO -0.01 0.54 -0.23 -0.32 0.00 0.00 0.00 175.10 175.08 3h55 s MET 397 N 0.39 2.73 -0.07 2.72 1.75 -1.26 -0.12 119.30 125.44 3h55 s MET 397 Ca -0.15 -0.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.47 3h55 s MET 397 Cb -0.17 -2.16 -0.02 0.00 2.84 0.00 0.00 34.83 35.32 3h55 s MET 397 CO 0.07 0.25 -0.17 -1.58 -0.65 0.00 0.00 175.02 172.94 3h55 s TRP 398 N 0.15 2.66 -0.38 4.11 0.52 0.82 -0.58 118.94 126.23 3h55 s TRP 398 Ca -0.12 -0.40 -0.15 0.00 0.02 0.00 0.00 56.10 55.45 3h55 s TRP 398 Cb -0.16 -1.67 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 3h55 s TRP 398 CO 0.06 -0.00 0.33 -0.47 0.02 0.00 0.00 176.95 176.89 3h55 s TYR 399 N -0.35 3.22 -0.15 -1.98 5.04 0.73 -0.74 117.35 123.12 3h55 s TYR 399 Ca 0.03 -0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.28 3h55 s TYR 399 Cb -0.12 -2.64 -0.02 0.00 0.35 0.00 0.00 41.96 39.52 3h55 s TYR 399 CO 0.02 -0.53 -0.07 -1.17 -1.34 0.00 0.00 175.55 172.47 3h55 s LEU 400 N 1.85 3.08 -0.01 6.97 2.96 0.61 -0.41 118.68 133.72 3h55 s LEU 400 Ca 0.08 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.73 3h55 s LEU 400 Cb -0.18 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.79 3h55 s LEU 400 CO 0.11 0.16 0.12 -0.72 -1.32 0.00 0.00 176.35 174.71 3h55 s TYR 401 N 0.40 0.01 0.51 5.38 -0.85 -0.17 -0.31 117.35 122.31 3h55 s TYR 401 Ca -0.06 -0.02 -0.21 0.00 -0.52 0.00 0.00 57.07 56.26 3h55 s TYR 401 Cb -0.15 -0.03 -0.06 0.00 0.38 0.00 0.00 41.96 42.10 3h55 s TYR 401 CO 0.04 -0.21 1.18 -2.14 -1.52 0.00 0.00 175.55 172.89 3h55 s PRO 402 N -0.96 3.50 -0.00 -3.49 0.02 -1.26 -0.21 135.00 132.60 3h55 s PRO 402 Ca -0.10 1.78 0.05 0.00 0.02 0.00 0.00 61.00 62.74 3h55 s PRO 402 Cb -0.06 -2.23 -0.01 0.00 0.02 0.00 0.00 34.50 32.22 3h55 s PRO 402 CO 0.01 -0.77 -0.16 0.96 -0.33 0.00 0.00 177.00 176.71 3h55 s ILE 403 N -1.59 1.30 0.00 2.83 -4.36 -0.50 -4.81 121.20 114.07 3h55 s ILE 403 Ca 0.68 -0.77 0.00 0.00 -0.26 0.00 0.00 60.65 60.30 3h55 s ILE 403 Cb -0.29 -1.09 0.00 0.00 1.25 0.00 0.00 42.46 42.33 3h55 s ILE 403 CO 0.33 0.31 0.11 2.29 0.24 0.00 0.00 174.94 178.22