#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h38 s GLN 2 N 0.00 4.42 -0.26 2.12 0.74 -1.26 -4.95 119.66 120.47 3h38 s GLN 2 Ca 0.00 1.76 -0.13 0.00 0.05 0.00 0.00 55.36 57.04 3h38 s GLN 2 Cb 0.00 -3.37 -0.14 0.00 1.10 0.00 0.00 33.01 30.60 3h38 s GLN 2 CO 0.00 -0.28 -0.25 -0.89 -0.55 0.00 0.00 175.29 173.32 3h38 n ILE 3 N 4.01 1.53 -4.17 -2.34 5.41 -1.26 -4.85 119.36 117.69 3h38 n ILE 3 Ca 0.09 -0.37 -0.35 0.00 1.00 0.00 0.00 62.75 63.12 3h38 n ILE 3 Cb 0.46 -1.84 -0.09 0.00 -0.71 0.00 0.00 39.64 37.46 3h38 n ILE 3 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3h38 s PHE 4 N -2.49 3.26 -0.13 1.39 0.40 -1.26 -1.27 117.98 117.88 3h38 s PHE 4 Ca -0.37 0.18 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 3h38 s PHE 4 Cb 0.13 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.77 3h38 s PHE 4 CO 0.52 0.39 0.34 0.50 0.70 0.00 0.00 175.22 177.67 3h38 s ARG 5 N -0.43 0.39 -0.44 0.44 3.52 -0.97 -4.96 118.95 116.50 3h38 s ARG 5 Ca 0.09 0.47 -0.23 0.00 -0.13 0.00 0.00 55.73 55.93 3h38 s ARG 5 Cb -0.12 0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.48 3h38 s ARG 5 CO 0.02 -0.05 0.77 0.34 -0.81 0.00 0.00 175.30 175.57 3h38 s ASP 6 N 0.19 6.41 -0.28 -2.12 3.68 -1.26 0.34 116.67 123.63 3h38 s ASP 6 Ca -0.00 -0.09 0.11 0.00 2.13 0.00 0.00 52.55 54.70 3h38 s ASP 6 Cb -0.02 -2.38 0.57 0.00 -1.45 0.00 0.00 42.92 39.64 3h38 s ASP 6 CO 0.00 -0.88 1.56 1.33 0.13 0.00 0.00 175.17 177.32 3h38 n VAL 7 N 6.07 2.62 -0.14 1.11 0.24 0.16 -4.71 118.33 123.67 3h38 n VAL 7 Ca 0.02 -2.21 -0.06 0.00 -2.04 0.00 0.00 64.34 60.05 3h38 n VAL 7 Cb 0.48 -0.33 0.03 0.00 -1.47 0.00 0.00 33.84 32.55 3h38 n VAL 7 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3h38 h SER 8 N 1.51 0.40 -0.33 -1.34 0.02 -1.86 -1.65 113.55 110.29 3h38 h SER 8 Ca 0.21 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3h38 h SER 8 Cb 1.85 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 64.30 3h38 h SER 8 CO 0.48 0.28 0.16 0.11 -1.14 0.00 0.00 176.83 176.72 3h38 h LYS 9 N 0.51 0.48 -0.90 3.45 1.57 -1.93 -2.33 116.57 117.41 3h38 h LYS 9 Ca 0.18 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3h38 h LYS 9 Cb 0.04 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 3h38 h LYS 9 CO -0.10 0.44 0.60 1.25 -0.57 0.00 0.00 179.45 181.07 3h38 h LEU 10 N 0.40 1.00 -0.20 2.94 6.46 -1.84 -0.44 115.31 123.64 3h38 h LEU 10 Ca 0.11 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3h38 h LEU 10 Cb 0.12 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3h38 h LEU 10 CO -0.01 0.70 -0.00 -0.07 -0.62 0.00 0.00 178.44 178.44 3h38 h LEU 11 N 1.17 0.34 -0.97 2.25 3.38 -1.06 -0.90 115.31 119.51 3h38 h LEU 11 Ca 0.35 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3h38 h LEU 11 Cb -0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3h38 h LEU 11 CO -0.10 0.57 -0.16 -0.37 0.09 0.00 0.00 178.44 178.48 3h38 h VAL 12 N 0.10 1.25 0.61 1.22 -1.51 -0.93 0.15 116.25 117.14 3h38 h VAL 12 Ca 0.06 -1.13 -0.03 0.00 -1.23 0.00 0.00 66.70 64.37 3h38 h VAL 12 Cb 0.39 1.17 0.01 0.00 -2.13 0.00 0.00 31.29 30.73 3h38 h VAL 12 CO 0.01 0.37 -0.29 -0.08 -1.23 0.00 0.00 177.57 176.35 3h38 h GLU 13 N 0.52 -0.79 0.00 5.19 4.81 -0.96 -3.37 114.58 119.98 3h38 h GLU 13 Ca 0.09 0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 3h38 h GLU 13 Cb 0.57 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3h38 h GLU 13 CO 0.04 -0.48 -0.93 0.00 -0.73 0.00 0.00 179.01 176.90 3h38 h ARG 14 N -0.99 0.00 -5.68 1.92 3.08 -0.96 -3.47 114.38 108.28 3h38 h ARG 14 Ca -0.08 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.32 3h38 h ARG 14 Cb 0.68 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.65 3h38 h ARG 14 CO 0.14 0.33 -0.40 0.08 -1.07 0.00 0.00 179.97 179.05 3h38 s VAL 15 N -3.00 5.37 0.17 2.04 1.01 0.50 -5.03 120.40 121.46 3h38 s VAL 15 Ca 0.01 0.39 -0.33 0.00 0.00 0.00 0.00 61.98 62.04 3h38 s VAL 15 Cb 0.08 -3.50 -0.15 0.00 0.00 0.00 0.00 36.38 32.81 3h38 s VAL 15 CO 0.78 0.57 1.36 -0.67 0.00 0.00 0.00 175.10 177.14 3h38 n ASP 16 N 2.22 2.20 -0.11 3.32 2.03 -1.26 -4.76 116.55 120.17 3h38 n ASP 16 Ca -0.18 1.13 -0.02 0.00 0.52 0.00 0.00 54.79 56.24 3h38 n ASP 16 Cb 0.54 -1.32 0.23 0.00 -0.72 0.00 0.00 41.12 39.85 3h38 n ASP 16 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3h38 h PRO 17 N 4.39 0.79 -0.93 -0.67 0.13 -1.95 0.64 132.00 134.39 3h38 h PRO 17 Ca -0.45 -0.14 0.06 0.00 -0.87 0.00 0.00 66.00 64.60 3h38 h PRO 17 Cb 1.30 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 3h38 h PRO 17 CO 0.77 0.68 0.61 -0.22 -0.23 0.00 0.00 178.00 179.61 3h38 h LYS 18 N 0.77 1.07 0.14 0.86 1.63 -2.00 -0.57 116.57 118.46 3h38 h LYS 18 Ca 0.18 -0.06 -0.29 0.00 -0.85 0.00 0.00 60.65 59.63 3h38 h LYS 18 Cb 0.22 -0.24 0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3h38 h LYS 18 CO -0.01 0.71 -1.25 0.82 -3.45 0.00 0.00 179.45 176.27 3h38 h ILE 19 N 1.10 1.39 -0.64 2.00 2.04 -1.83 -3.15 117.51 118.42 3h38 h ILE 19 Ca 0.39 -2.75 0.06 0.00 1.00 0.00 0.00 64.86 63.56 3h38 h ILE 19 Cb 0.14 2.83 -0.05 0.00 -0.74 0.00 0.00 36.82 38.99 3h38 h ILE 19 CO -0.14 0.82 0.34 -0.07 0.00 0.00 0.00 178.15 179.10 3h38 h LEU 20 N 0.16 0.50 -1.56 1.44 3.38 -0.24 -1.56 115.31 117.42 3h38 h LEU 20 Ca -0.17 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3h38 h LEU 20 Cb 1.94 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 3h38 h LEU 20 CO 0.22 0.32 -0.15 0.78 0.09 0.00 0.00 178.44 179.71 3h38 h ASN 21 N 0.64 0.09 0.24 -0.43 2.35 -1.15 -1.51 115.58 115.80 3h38 h ASN 21 Ca 0.29 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3h38 h ASN 21 Cb 0.19 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3h38 h ASN 21 CO -0.19 0.25 -0.11 0.25 -1.65 0.00 0.00 177.43 175.98 3h38 h LEU 22 N 0.10 -0.27 -0.89 1.61 5.85 -1.36 -0.81 115.31 119.53 3h38 h LEU 22 Ca 0.02 -0.18 0.22 0.00 0.84 0.00 0.00 57.88 58.78 3h38 h LEU 22 Cb 0.32 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.30 3h38 h LEU 22 CO 0.02 0.03 0.39 -0.26 -0.34 0.00 0.00 178.44 178.28 3h38 h PHE 23 N -0.59 0.64 0.20 1.25 0.04 -0.95 0.10 116.94 117.62 3h38 h PHE 23 Ca -0.03 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3h38 h PHE 23 Cb 0.43 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.44 3h38 h PHE 23 CO 0.01 -0.04 -0.09 0.00 -0.60 0.00 0.00 178.31 177.59 3h38 h ARG 24 N 0.40 -0.25 -0.65 1.51 3.08 -1.06 -1.34 114.38 116.07 3h38 h ARG 24 Ca 0.55 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.71 3h38 h ARG 24 Cb 1.03 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.07 3h38 h ARG 24 CO -0.52 -0.15 0.28 -0.07 -1.07 0.00 0.00 179.97 178.44 3h38 h LEU 25 N -0.29 0.33 -0.78 3.04 3.38 0.18 0.32 115.31 121.49 3h38 h LEU 25 Ca -0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3h38 h LEU 25 Cb 0.22 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3h38 h LEU 25 CO 0.04 0.19 0.45 -0.07 0.09 0.00 0.00 178.44 179.14 3h38 h LEU 26 N 0.49 0.95 -0.20 1.67 3.38 -0.67 0.53 115.31 121.46 3h38 h LEU 26 Ca 0.33 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.23 3h38 h LEU 26 Cb 0.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3h38 h LEU 26 CO -0.29 0.75 0.09 1.23 0.09 0.00 0.00 178.44 180.31 3h38 h GLY 27 N 1.07 0.26 0.90 0.83 0.00 0.00 -0.76 103.07 105.38 3h38 h GLY 27 Ca 0.28 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.57 3h38 h GLY 27 CO -0.05 0.05 0.42 1.70 0.00 0.00 0.00 176.54 178.66 3h38 h LYS 28 N 0.20 0.80 -0.46 4.80 3.11 -0.31 0.45 116.57 125.16 3h38 h LYS 28 Ca 0.08 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 57.88 3h38 h LYS 28 Cb 0.03 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.06 3h38 h LYS 28 CO -0.07 0.53 0.30 0.74 -2.81 0.00 0.00 179.45 178.15 3h38 h PHE 29 N 0.83 0.57 0.22 1.91 0.05 -0.57 -2.46 116.94 117.48 3h38 h PHE 29 Ca 0.26 0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.07 3h38 h PHE 29 Cb -0.01 -0.19 -0.02 0.00 2.00 0.00 0.00 35.95 37.74 3h38 h PHE 29 CO -0.04 0.35 -0.20 0.78 -0.18 0.00 0.00 178.31 179.02 3h38 h GLY 30 N 0.61 -0.44 0.89 -1.45 0.00 0.60 -2.02 103.07 101.26 3h38 h GLY 30 Ca 0.17 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.77 3h38 h GLY 30 CO -0.04 -0.19 0.63 -0.55 0.00 0.00 0.00 176.54 176.39 3h38 h ASP 31 N -0.44 1.03 0.97 0.19 5.19 -1.20 0.34 116.42 122.50 3h38 h ASP 31 Ca -0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3h38 h ASP 31 Cb 0.40 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3h38 h ASP 31 CO -0.04 0.69 0.00 -0.62 -3.12 0.00 0.00 179.24 176.15 3h38 n GLU 32 N -4.45 0.20 -0.09 3.56 1.02 -0.92 -1.99 120.64 117.97 3h38 n GLU 32 Ca 0.13 0.33 0.04 0.00 -0.02 0.00 0.00 57.16 57.65 3h38 n GLU 32 Cb 0.12 -1.82 0.06 0.00 -0.02 0.00 0.00 31.44 29.78 3h38 n GLU 32 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3h38 n VAL 33 N -2.19 1.14 -3.71 2.62 0.24 -0.81 -5.02 118.33 110.59 3h38 n VAL 33 Ca 0.03 -1.30 -0.26 0.00 -2.04 0.00 0.00 64.34 60.78 3h38 n VAL 33 Cb 0.30 0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.97 3h38 n VAL 33 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3h38 n ASN 34 N -0.77 -5.16 -4.19 -1.34 3.02 0.83 -5.01 115.26 102.64 3h38 n ASN 34 Ca 0.07 -0.65 -0.32 0.00 -0.03 0.00 0.00 54.58 53.65 3h38 n ASN 34 Cb 0.49 -4.54 -0.17 0.00 -0.61 0.00 0.00 39.78 34.95 3h38 n ASN 34 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3h38 s MET 35 N -6.34 2.95 0.13 3.52 -1.94 0.75 -4.97 119.30 113.40 3h38 s MET 35 Ca 0.54 -0.84 -0.31 0.00 -1.71 0.00 0.00 55.69 53.36 3h38 s MET 35 Cb -0.25 -2.27 -0.09 0.00 2.01 0.00 0.00 34.83 34.22 3h38 s MET 35 CO 0.77 0.12 1.52 -2.14 -0.01 0.00 0.00 175.02 175.29 3h38 s PRO 36 N 0.48 4.25 -0.07 2.03 0.02 -1.26 -4.00 135.00 136.45 3h38 s PRO 36 Ca -0.16 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.13 3h38 s PRO 36 Cb -0.17 -3.24 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 3h38 s PRO 36 CO 0.06 -0.57 -0.08 0.08 -0.33 0.00 0.00 177.00 176.16 3h38 s VAL 37 N 1.33 3.57 0.01 3.83 1.01 -1.26 -1.56 120.40 127.33 3h38 s VAL 37 Ca 0.69 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3h38 s VAL 37 Cb -0.41 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3h38 s VAL 37 CO 0.31 0.59 0.00 -0.31 0.00 0.00 0.00 175.10 175.69 3h38 s TYR 38 N -0.68 0.14 -0.05 5.22 1.51 -0.10 0.57 117.35 123.96 3h38 s TYR 38 Ca 0.10 -0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 55.77 3h38 s TYR 38 Cb -0.11 -0.11 -0.05 0.00 -0.11 0.00 0.00 41.96 41.58 3h38 s TYR 38 CO 0.01 -0.14 0.27 0.54 -1.11 0.00 0.00 175.55 175.13 3h38 s VAL 39 N -0.94 5.28 0.19 0.71 0.11 -0.14 0.03 120.40 125.64 3h38 s VAL 39 Ca -0.10 0.46 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 3h38 s VAL 39 Cb -0.06 -3.55 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 3h38 s VAL 39 CO -0.00 0.57 0.02 0.68 -3.33 0.00 0.00 175.10 173.03 3h38 s VAL 40 N -1.09 0.65 0.00 2.04 -7.23 -1.13 -0.95 120.40 112.69 3h38 s VAL 40 Ca 0.20 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3h38 s VAL 40 Cb -0.14 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3h38 s VAL 40 CO 0.10 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 3h38 n GLY 41 N -0.28 0.39 0.27 2.32 0.00 -0.74 -3.96 105.19 103.19 3h38 n GLY 41 Ca -0.05 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 3h38 n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h38 h GLY 42 N 0.00 0.95 0.20 -0.02 0.00 -1.89 -1.33 103.07 100.98 3h38 h GLY 42 Ca 0.00 -0.47 0.19 0.00 0.00 0.00 0.00 47.33 47.04 3h38 h GLY 42 CO 0.00 0.45 0.61 -2.75 0.00 0.00 0.00 176.54 174.85 3h38 h PHE 43 N 0.84 0.93 0.06 5.60 3.57 -1.92 0.62 116.94 126.65 3h38 h PHE 43 Ca 0.21 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.54 3h38 h PHE 43 Cb 0.12 -0.28 0.02 0.00 2.79 0.00 0.00 35.95 38.60 3h38 h PHE 43 CO 0.00 0.23 -0.81 0.28 -2.23 0.00 0.00 178.31 175.78 3h38 h VAL 44 N 0.69 1.42 -0.30 1.41 2.07 -1.46 -1.23 116.25 118.85 3h38 h VAL 44 Ca 0.54 -2.29 0.07 0.00 0.82 0.00 0.00 66.70 65.84 3h38 h VAL 44 Cb 0.95 2.78 -0.08 0.00 -1.52 0.00 0.00 31.29 33.42 3h38 h VAL 44 CO -0.31 0.67 -0.34 -0.09 0.02 0.00 0.00 177.57 177.51 3h38 h ARG 45 N -0.08 -0.31 -0.53 1.57 2.43 -0.75 -2.14 114.38 114.57 3h38 h ARG 45 Ca -0.12 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3h38 h ARG 45 Cb 1.54 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.14 3h38 h ARG 45 CO 0.16 -0.21 0.35 -0.44 -1.51 0.00 0.00 179.97 178.32 3h38 h ASP 46 N -0.32 0.60 -0.33 -3.80 3.32 0.22 -0.67 116.42 115.45 3h38 h ASP 46 Ca 0.14 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.24 3h38 h ASP 46 Cb 0.55 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 3h38 h ASP 46 CO -0.47 0.44 -0.13 0.25 -1.72 0.00 0.00 179.24 177.61 3h38 h LEU 47 N 0.71 -0.44 -0.85 1.55 5.85 -1.03 0.41 115.31 121.51 3h38 h LEU 47 Ca 0.19 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 3h38 h LEU 47 Cb -0.08 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3h38 h LEU 47 CO -0.04 -0.16 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.44 3h38 h LEU 48 N -0.06 0.39 0.00 2.25 3.38 -0.79 -1.14 115.31 119.33 3h38 h LEU 48 Ca 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h38 h LEU 48 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3h38 h LEU 48 CO -0.37 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.08 3h38 n LEU 49 N -4.03 0.00 -2.40 1.67 4.77 -0.31 -4.91 117.00 111.78 3h38 n LEU 49 Ca -0.01 0.43 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 3h38 n LEU 49 Cb 0.48 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3h38 n LEU 49 CO 0.43 -0.07 0.13 0.61 -1.33 0.00 0.00 177.39 177.16 3h38 n GLY 50 N 0.95 0.02 3.26 -0.72 0.00 0.20 -5.02 105.19 103.87 3h38 n GLY 50 Ca 0.08 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3h38 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h38 s ILE 51 N -3.20 3.04 0.19 -0.61 1.01 0.12 -5.01 121.20 116.75 3h38 s ILE 51 Ca 0.28 -0.67 -0.32 0.00 0.00 0.00 0.00 60.65 59.94 3h38 s ILE 51 Cb -0.12 -2.40 -0.15 0.00 0.01 0.00 0.00 42.46 39.80 3h38 s ILE 51 CO 0.44 0.41 1.20 1.17 0.00 0.00 0.00 174.94 178.15 3h38 n LYS 52 N 4.74 1.32 -3.25 2.79 0.00 -1.26 -4.23 118.16 118.28 3h38 n LYS 52 Ca -0.18 0.47 -0.04 0.00 0.00 0.00 0.00 58.31 58.56 3h38 n LYS 52 Cb 0.50 -1.99 -0.04 0.00 0.00 0.00 0.00 35.03 33.50 3h38 n LYS 52 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 3h38 s ASN 53 N 0.01 -0.45 0.05 3.14 3.84 -1.26 -5.03 114.94 115.23 3h38 s ASN 53 Ca 0.71 0.02 -0.05 0.00 0.21 0.00 0.00 52.86 53.75 3h38 s ASN 53 Cb -0.81 1.51 -0.29 0.00 -0.55 0.00 0.00 41.25 41.12 3h38 s ASN 53 CO 0.52 -0.32 1.03 -0.07 -2.79 0.00 0.00 177.10 175.47 3h38 h LEU 54 N 8.10 0.45-10.32 3.21 4.07 -2.00 -3.47 115.31 115.35 3h38 h LEU 54 Ca -0.09 -0.53 -0.51 0.00 0.08 0.00 0.00 57.88 56.83 3h38 h LEU 54 Cb 1.15 -0.15 0.13 0.00 1.08 0.00 0.00 40.66 42.87 3h38 h LEU 54 CO 0.23 1.42 0.32 1.51 -1.08 0.00 0.00 178.44 180.84 3h38 s ASP 55 N -7.13 4.55 -0.16 -0.43 3.84 -1.26 -5.03 116.67 111.06 3h38 s ASP 55 Ca -0.06 1.80 0.02 0.00 -0.00 0.00 0.00 52.55 54.30 3h38 s ASP 55 Cb 0.07 -2.51 0.02 0.00 -1.38 0.00 0.00 42.92 39.11 3h38 s ASP 55 CO 0.88 -2.00 -0.20 0.27 -0.00 0.00 0.00 175.17 174.12 3h38 s ILE 56 N -2.92 1.96 -0.28 2.11 -4.36 -1.26 -4.93 121.20 111.51 3h38 s ILE 56 Ca 0.61 -0.89 0.02 0.00 -0.26 0.00 0.00 60.65 60.12 3h38 s ILE 56 Cb -0.17 -1.76 0.08 0.00 1.25 0.00 0.00 42.46 41.86 3h38 s ILE 56 CO 0.56 0.53 -0.01 -0.62 0.24 0.00 0.00 174.94 175.64 3h38 s ASP 57 N 1.11 4.27 -0.15 4.36 -1.08 -1.26 -2.25 116.67 121.66 3h38 s ASP 57 Ca -0.01 -1.60 -0.05 0.00 -0.52 0.00 0.00 52.55 50.37 3h38 s ASP 57 Cb -0.14 -1.34 -0.03 0.00 -1.46 0.00 0.00 42.92 39.95 3h38 s ASP 57 CO -0.08 -0.30 0.02 -0.63 0.52 0.00 0.00 175.17 174.70 3h38 s ILE 58 N 1.22 4.42 -0.15 4.11 -1.09 -0.32 -2.82 121.20 126.57 3h38 s ILE 58 Ca 0.01 -0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 3h38 s ILE 58 Cb -0.19 -2.95 -0.01 0.00 -1.58 0.00 0.00 42.46 37.73 3h38 s ILE 58 CO -0.09 0.50 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.33 3h38 s VAL 59 N 0.11 3.24 -0.00 2.92 1.01 0.10 -0.58 120.40 127.21 3h38 s VAL 59 Ca 0.03 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3h38 s VAL 59 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3h38 s VAL 59 CO 0.02 0.50 -0.21 0.68 0.00 0.00 0.00 175.10 176.09 3h38 s VAL 60 N 0.60 2.55 -1.22 2.92 -7.23 -0.02 -0.92 120.40 117.08 3h38 s VAL 60 Ca -0.06 -1.06 -0.13 0.00 -1.81 0.00 0.00 61.98 58.91 3h38 s VAL 60 Cb -0.15 -1.99 0.17 0.00 0.56 0.00 0.00 36.38 34.97 3h38 s VAL 60 CO 0.03 0.49 1.48 -0.62 -0.31 0.00 0.00 175.10 176.16 3h38 n GLU 61 N 2.06 3.39 -3.56 4.82 1.02 -0.60 -0.43 120.64 127.34 3h38 n GLU 61 Ca -0.16 -3.82 0.00 0.00 -0.02 0.00 0.00 57.16 53.16 3h38 n GLU 61 Cb 0.52 -3.04 0.00 0.00 -0.02 0.00 0.00 31.44 28.90 3h38 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h38 n GLY 62 N 4.00 -0.65 3.60 0.62 0.00 -1.26 -4.16 105.19 107.35 3h38 n GLY 62 Ca 0.37 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 3h38 n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h38 s ASN 63 N -4.00 6.68 0.22 1.61 2.47 -1.26 -4.61 114.94 116.05 3h38 s ASN 63 Ca 0.00 0.56 -0.08 0.00 0.42 0.00 0.00 52.86 53.76 3h38 s ASN 63 Cb 0.00 -2.50 0.34 0.00 -1.45 0.00 0.00 41.25 37.64 3h38 s ASN 63 CO 0.00 -1.00 1.72 0.00 -3.72 0.00 0.00 177.10 174.10 3h38 h ALA 64 N 8.71 0.84 0.06 1.71 0.00 -1.90 -2.46 119.26 126.23 3h38 h ALA 64 Ca -0.23 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h38 h ALA 64 Cb 1.07 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h38 h ALA 64 CO 1.04 -0.24 -0.03 -0.07 0.00 0.00 0.00 179.25 179.95 3h38 h LEU 65 N 0.36 -0.07 -0.88 0.00 3.38 -1.92 0.15 115.31 116.33 3h38 h LEU 65 Ca 0.34 -0.14 0.18 0.00 0.09 0.00 0.00 57.88 58.35 3h38 h LEU 65 Cb 0.49 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.09 3h38 h LEU 65 CO -0.37 0.09 -0.22 -0.33 0.09 0.00 0.00 178.44 177.71 3h38 h GLU 66 N -0.23 0.00 -0.01 1.13 5.08 -1.91 0.10 114.58 118.74 3h38 h GLU 66 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h38 h GLU 66 Cb 0.20 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3h38 h GLU 66 CO 0.01 0.00 -0.00 0.35 -1.00 0.00 0.00 179.01 178.37 3h38 h PHE 67 N 0.00 0.02 -0.61 4.33 3.57 -0.97 -1.19 116.94 122.08 3h38 h PHE 67 Ca 0.42 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.99 3h38 h PHE 67 Cb 0.65 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 3h38 h PHE 67 CO -0.68 0.46 0.30 0.00 -2.23 0.00 0.00 178.31 176.16 3h38 h ALA 68 N 0.55 0.81 -0.16 2.41 0.00 -0.22 0.34 119.26 122.98 3h38 h ALA 68 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3h38 h ALA 68 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3h38 h ALA 68 CO 0.00 -0.07 0.05 0.93 0.00 0.00 0.00 179.25 180.16 3h38 h GLU 69 N 0.54 0.13 -0.06 0.00 5.08 -0.71 0.24 114.58 119.80 3h38 h GLU 69 Ca 0.29 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3h38 h GLU 69 Cb 0.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3h38 h GLU 69 CO -0.22 0.09 0.01 -0.92 -1.00 0.00 0.00 179.01 176.97 3h38 h TYR 70 N 0.13 0.02 -0.88 4.33 3.20 -0.74 -2.32 116.97 120.71 3h38 h TYR 70 Ca 0.07 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.05 3h38 h TYR 70 Cb 0.04 -0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.23 3h38 h TYR 70 CO -0.11 0.01 0.52 0.00 -1.64 0.00 0.00 178.16 176.94 3h38 h ALA 71 N 1.04 1.30 -0.61 1.82 0.00 -0.08 -2.95 119.26 119.79 3h38 h ALA 71 Ca 0.03 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3h38 h ALA 71 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3h38 h ALA 71 CO -0.03 0.11 0.40 -0.22 0.00 0.00 0.00 179.25 179.51 3h38 h LYS 72 N 0.83 0.68 -0.01 0.00 3.64 0.06 -0.50 116.57 121.27 3h38 h LYS 72 Ca 0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3h38 h LYS 72 Cb 0.44 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3h38 h LYS 72 CO -0.27 0.45 0.00 2.89 -2.27 0.00 0.00 179.45 180.25 3h38 n ARG 73 N -4.47 1.03 0.00 1.90 1.85 -1.11 -2.83 116.66 113.03 3h38 n ARG 73 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 3h38 n ARG 73 Cb 0.15 -1.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 3h38 n ARG 73 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3h38 n PHE 74 N -0.54 0.00 -3.84 2.89 3.01 -0.67 -4.89 117.46 113.43 3h38 n PHE 74 Ca 0.04 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.21 3h38 n PHE 74 Cb 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.37 3h38 n PHE 74 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3h38 s LEU 75 N -1.17 3.75 -0.21 4.37 1.43 -0.28 -5.08 118.68 121.49 3h38 s LEU 75 Ca 0.00 -3.06 -0.31 0.00 -1.03 0.00 0.00 54.13 49.72 3h38 s LEU 75 Cb 0.00 -1.39 -0.08 0.00 0.03 0.00 0.00 46.19 44.75 3h38 s LEU 75 CO 0.00 -0.21 2.13 -2.65 0.23 0.00 0.00 176.35 175.85 3h38 n PRO 76 N 3.01 1.81 -2.80 1.29 -0.02 -1.24 -4.53 135.00 132.52 3h38 n PRO 76 Ca 0.10 0.55 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 3h38 n PRO 76 Cb 0.34 -2.88 0.01 0.00 -0.02 0.00 0.00 33.50 30.95 3h38 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h38 n GLY 77 N 5.65 1.07 3.69 -1.23 0.00 -1.26 -3.23 105.19 109.88 3h38 n GLY 77 Ca 0.31 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 3h38 n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h38 s LYS 78 N -2.04 4.11 -0.40 1.61 2.20 0.14 -4.86 119.74 120.50 3h38 s LYS 78 Ca 0.12 -0.26 -0.10 0.00 -0.36 0.00 0.00 55.97 55.37 3h38 s LYS 78 Cb -0.02 -3.45 0.05 0.00 -1.51 0.00 0.00 37.83 32.90 3h38 s LYS 78 CO 0.05 0.19 0.24 -1.17 -0.36 0.00 0.00 175.35 174.29 3h38 s LEU 79 N 0.69 4.97 -0.22 5.43 1.98 -1.26 -0.67 118.68 129.59 3h38 s LEU 79 Ca 0.07 -1.25 -0.13 0.00 -2.89 0.00 0.00 54.13 49.93 3h38 s LEU 79 Cb -0.12 -2.02 -0.04 0.00 0.66 0.00 0.00 46.19 44.67 3h38 s LEU 79 CO 0.01 -0.47 0.29 -0.69 -1.89 0.00 0.00 176.35 173.60 3h38 s VAL 80 N 1.50 5.27 0.00 1.68 1.01 -0.71 -4.99 120.40 124.16 3h38 s VAL 80 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3h38 s VAL 80 Cb -0.21 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3h38 s VAL 80 CO 0.05 0.29 0.00 0.29 0.00 0.00 0.00 175.10 175.73 3h38 n LYS 81 N 4.41 -0.02 -3.90 2.72 4.76 -1.26 -1.66 118.16 123.20 3h38 n LYS 81 Ca -0.11 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.24 3h38 n LYS 81 Cb 0.51 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.69 3h38 n LYS 81 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3h38 s HIS 82 N -0.82 0.13 -0.63 2.13 3.76 -1.03 -4.73 115.29 114.09 3h38 s HIS 82 Ca 0.00 -0.60 -0.09 0.00 -0.15 0.00 0.00 55.06 54.22 3h38 s HIS 82 Cb 0.00 0.55 0.16 0.00 1.11 0.00 0.00 32.58 34.40 3h38 s HIS 82 CO 0.00 -1.25 0.52 -0.51 -0.85 0.00 0.00 174.74 172.64 3h38 s ASP 83 N -3.01 5.92 -0.22 1.40 1.01 -1.26 -4.78 116.67 115.74 3h38 s ASP 83 Ca 0.17 -2.44 -0.27 0.00 0.71 0.00 0.00 52.55 50.71 3h38 s ASP 83 Cb -0.04 -2.04 0.12 0.00 1.01 0.00 0.00 42.92 41.97 3h38 s ASP 83 CO 0.10 -0.57 1.00 -0.75 0.21 0.00 0.00 175.17 175.16 3h38 s LYS 84 N 0.57 0.57 0.30 8.23 2.47 -1.26 -5.04 119.74 125.58 3h38 s LYS 84 Ca 0.13 0.39 0.04 0.00 -1.56 0.00 0.00 55.97 54.96 3h38 s LYS 84 Cb -0.20 0.27 0.79 0.00 -1.46 0.00 0.00 37.83 37.24 3h38 s LYS 84 CO -0.04 -0.13 1.60 0.35 0.16 0.00 0.00 175.35 177.30 3h38 h PHE 85 N 3.44 0.20 -1.88 4.03 3.57 -2.01 -3.08 116.94 121.22 3h38 h PHE 85 Ca -0.24 0.06 -0.37 0.00 3.53 0.00 0.00 57.97 60.95 3h38 h PHE 85 Cb 1.17 0.06 -0.30 0.00 2.79 0.00 0.00 35.95 39.67 3h38 h PHE 85 CO 0.31 -0.34 -0.71 -1.64 -2.23 0.00 0.00 178.31 173.70 3h38 s MET 86 N -5.93 0.74 -0.01 1.11 -1.94 -1.26 -5.10 119.30 106.92 3h38 s MET 86 Ca -0.12 -1.09 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 3h38 s MET 86 Cb 0.28 -0.74 0.01 0.00 2.01 0.00 0.00 34.83 36.39 3h38 s MET 86 CO 0.77 -1.25 0.01 0.99 -0.01 0.00 0.00 175.02 175.54 3h38 s THR 87 N 1.14 -0.01 0.09 2.05 2.01 -1.17 -2.55 115.64 117.21 3h38 s THR 87 Ca 0.21 0.08 -0.06 0.00 0.31 0.00 0.00 61.69 62.23 3h38 s THR 87 Cb -0.10 -0.05 -0.01 0.00 0.01 0.00 0.00 72.50 72.34 3h38 s THR 87 CO -0.05 0.04 0.14 0.00 -0.69 0.00 0.00 174.62 174.06 3h38 s ALA 88 N 0.44 0.05 -0.03 7.40 0.00 0.05 -2.46 121.76 127.21 3h38 s ALA 88 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3h38 s ALA 88 Cb -0.05 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.61 3h38 s ALA 88 CO -0.01 -0.50 0.01 -1.12 0.00 0.00 0.00 175.76 174.14 3h38 s SER 89 N -2.90 0.28 -0.25 0.00 0.01 -0.67 -0.45 113.70 109.72 3h38 s SER 89 Ca 0.08 -0.00 -0.08 0.00 1.31 0.00 0.00 55.95 57.27 3h38 s SER 89 Cb 0.06 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 3h38 s SER 89 CO -0.08 -0.11 0.08 -0.22 0.41 0.00 0.00 173.24 173.32 3h38 s LEU 90 N 1.03 3.50 -0.48 2.44 2.96 0.19 -1.73 118.68 126.59 3h38 s LEU 90 Ca -0.10 -0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 53.45 3h38 s LEU 90 Cb -0.13 -1.94 0.06 0.00 0.50 0.00 0.00 46.19 44.67 3h38 s LEU 90 CO -0.02 -0.04 0.51 -0.36 -1.32 0.00 0.00 176.35 175.12 3h38 s PHE 91 N 1.62 3.14 0.14 5.38 0.08 0.16 0.38 117.98 128.88 3h38 s PHE 91 Ca 0.06 -0.64 -0.30 0.00 0.12 0.00 0.00 56.93 56.18 3h38 s PHE 91 Cb -0.15 -3.28 -0.07 0.00 -0.57 0.00 0.00 43.02 38.95 3h38 s PHE 91 CO 0.04 -0.88 0.96 -0.51 -0.10 0.00 0.00 175.22 174.73 3h38 s LEU 92 N 2.19 4.53 0.45 -0.37 1.43 -0.46 0.23 118.68 126.68 3h38 s LEU 92 Ca 0.11 1.85 0.17 0.00 -1.03 0.00 0.00 54.13 55.22 3h38 s LEU 92 Cb -0.20 -3.59 1.11 0.00 0.03 0.00 0.00 46.19 43.53 3h38 s LEU 92 CO 0.10 -0.02 1.95 0.11 0.23 0.00 0.00 176.35 178.72 3h38 h LYS 93 N 5.22 0.33 0.00 1.70 1.79 -1.84 0.16 116.57 123.92 3h38 h LYS 93 Ca -0.43 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3h38 h LYS 93 Cb 1.21 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3h38 h LYS 93 CO 0.71 0.22 0.15 0.78 -1.08 0.00 0.00 179.45 180.22 3h38 h GLY 94 N 0.34 0.00 0.00 3.86 0.00 -1.92 -3.45 103.07 101.89 3h38 h GLY 94 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3h38 h GLY 94 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.07 3h38 n GLY 95 N -1.24 3.37 3.84 4.60 0.00 0.57 -5.12 105.19 111.21 3h38 n GLY 95 Ca -0.02 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 3h38 n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h38 s LEU 96 N 0.00 3.20 -0.06 0.99 0.20 -1.25 -4.65 118.68 117.11 3h38 s LEU 96 Ca 0.00 1.55 0.02 0.00 0.69 0.00 0.00 54.13 56.39 3h38 s LEU 96 Cb 0.00 -4.49 0.02 0.00 -0.43 0.00 0.00 46.19 41.29 3h38 s LEU 96 CO 0.00 -1.19 -0.09 0.00 -0.29 0.00 0.00 176.35 174.78 3h38 s ARG 97 N -5.02 1.34 -0.31 1.98 1.04 -1.26 -1.36 118.95 115.36 3h38 s ARG 97 Ca 0.57 -0.29 -0.16 0.00 -1.04 0.00 0.00 55.73 54.82 3h38 s ARG 97 Cb -0.13 -1.17 -0.02 0.00 -2.04 0.00 0.00 34.95 31.59 3h38 s ARG 97 CO 0.53 -0.02 0.41 0.42 -0.04 0.00 0.00 175.30 176.60 3h38 s ILE 98 N 0.76 5.13 0.17 4.99 1.01 0.16 -4.24 121.20 129.18 3h38 s ILE 98 Ca -0.13 0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.67 3h38 s ILE 98 Cb -0.15 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 3h38 s ILE 98 CO 0.02 -0.01 0.72 -1.81 0.00 0.00 0.00 174.94 173.86 3h38 s ASP 99 N 1.69 7.20 -0.06 3.58 1.01 -0.95 0.57 116.67 129.70 3h38 s ASP 99 Ca 0.15 1.48 -0.03 0.00 0.71 0.00 0.00 52.55 54.87 3h38 s ASP 99 Cb -0.16 -2.44 0.04 0.00 1.01 0.00 0.00 42.92 41.37 3h38 s ASP 99 CO 0.11 0.15 0.12 -0.63 0.21 0.00 0.00 175.17 175.13 3h38 s ILE 100 N -1.29 -0.18 0.05 0.77 1.01 0.40 -1.17 121.20 120.79 3h38 s ILE 100 Ca 0.37 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.41 3h38 s ILE 100 Cb -0.20 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 3h38 s ILE 100 CO 0.23 0.15 -0.11 0.00 0.00 0.00 0.00 174.94 175.21 3h38 s ALA 101 N 2.06 0.84 0.16 9.38 0.00 0.26 -0.77 121.76 133.68 3h38 s ALA 101 Ca 0.02 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 3h38 s ALA 101 Cb -0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 3h38 s ALA 101 CO -0.05 0.08 1.08 0.99 0.00 0.00 0.00 175.76 177.87 3h38 s THR 102 N -1.18 3.99 0.18 0.00 2.01 -1.06 -0.84 115.64 118.74 3h38 s THR 102 Ca -0.05 1.68 -0.33 0.00 0.31 0.00 0.00 61.69 63.30 3h38 s THR 102 Cb -0.09 -4.07 -0.13 0.00 0.01 0.00 0.00 72.50 68.21 3h38 s THR 102 CO 0.01 0.27 1.61 0.00 -0.69 0.00 0.00 174.62 175.83 3h38 n ALA 103 N 2.55 1.81 -2.66 7.40 0.00 0.43 -4.84 120.51 125.20 3h38 n ALA 103 Ca 0.03 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 3h38 n ALA 103 Cb 0.47 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.40 3h38 n ALA 103 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3h38 s ARG 104 N 0.90 0.66 0.32 0.00 1.70 -1.26 -3.92 118.95 117.35 3h38 s ARG 104 Ca 0.77 -0.94 0.07 0.00 -0.47 0.00 0.00 55.73 55.15 3h38 s ARG 104 Cb -0.62 -0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 33.39 3h38 s ARG 104 CO 0.37 0.05 0.39 -0.48 -1.08 0.00 0.00 175.30 174.55 3h38 s LEU 105 N -2.00 3.93 -0.07 -1.89 -0.00 -0.75 -2.85 118.68 115.05 3h38 s LEU 105 Ca -0.03 -0.23 0.02 0.00 -0.00 0.00 0.00 54.13 53.89 3h38 s LEU 105 Cb -0.06 -2.62 0.01 0.00 -0.00 0.00 0.00 46.19 43.53 3h38 s LEU 105 CO -0.01 -0.33 -0.11 -1.61 -0.00 0.00 0.00 176.35 174.29 3h38 s GLU 106 N -4.08 1.66 -0.08 1.48 2.02 -1.26 -3.44 118.70 115.00 3h38 s GLU 106 Ca 0.42 -0.39 0.04 0.00 0.02 0.00 0.00 54.97 55.06 3h38 s GLU 106 Cb -0.08 -1.42 -0.01 0.00 0.10 0.00 0.00 34.13 32.71 3h38 s GLU 106 CO 0.29 -0.02 -0.21 -0.47 0.02 0.00 0.00 175.26 174.87 3h38 s TYR 107 N 0.82 2.57 -0.38 1.61 5.04 -0.31 -4.96 117.35 121.74 3h38 s TYR 107 Ca -0.12 -0.74 -0.12 0.00 -2.44 0.00 0.00 57.07 53.66 3h38 s TYR 107 Cb -0.15 -1.68 0.02 0.00 0.35 0.00 0.00 41.96 40.50 3h38 s TYR 107 CO 0.02 -0.23 0.22 0.71 -1.34 0.00 0.00 175.55 174.93 3h38 s TYR 108 N 0.02 3.24 0.09 4.97 1.51 -1.26 -0.81 117.35 125.11 3h38 s TYR 108 Ca -0.08 -0.87 -0.09 0.00 -1.01 0.00 0.00 57.07 55.02 3h38 s TYR 108 Cb -0.15 -2.46 -0.20 0.00 -0.11 0.00 0.00 41.96 39.04 3h38 s TYR 108 CO 0.05 -0.62 1.21 0.93 -1.11 0.00 0.00 175.55 176.00 3h38 h GLU 109 N 8.47 0.53 -4.84 -0.62 3.07 -1.98 -3.47 114.58 115.74 3h38 h GLU 109 Ca -0.26 -0.63 -0.39 0.00 -0.50 0.00 0.00 59.36 57.57 3h38 h GLU 109 Cb 1.11 0.19 -0.14 0.00 -0.84 0.00 0.00 28.75 29.07 3h38 h GLU 109 CO 0.68 1.25 -0.56 -1.12 -1.40 0.00 0.00 179.01 177.86 3h38 s SER 110 N -7.24 1.32 -1.54 1.42 0.01 -1.26 -5.04 113.70 101.38 3h38 s SER 110 Ca -0.08 -1.56 -0.09 0.00 1.31 0.00 0.00 55.95 55.53 3h38 s SER 110 Cb 0.07 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 3h38 s SER 110 CO 0.90 -0.91 2.79 -2.65 0.41 0.00 0.00 173.24 173.78 3h38 n PRO 111 N -0.54 3.91 0.00 12.44 -0.02 -1.26 -4.66 135.00 144.87 3h38 n PRO 111 Ca 0.02 -2.54 0.00 0.00 -2.02 0.00 0.00 63.50 58.96 3h38 n PRO 111 Cb 0.65 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3h38 n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h38 n ALA 112 N 3.18 0.00 -2.63 3.55 0.00 -1.25 -4.74 120.51 118.62 3h38 n ALA 112 Ca 0.74 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.79 3h38 n ALA 112 Cb 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 3h38 n ALA 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h38 s LYS 113 N 3.41 4.06 0.49 0.00 2.47 -1.26 -4.84 119.74 124.06 3h38 s LYS 113 Ca 0.00 0.06 -0.20 0.00 -1.56 0.00 0.00 55.97 54.27 3h38 s LYS 113 Cb 0.00 -3.62 -0.08 0.00 -1.46 0.00 0.00 37.83 32.67 3h38 s LYS 113 CO 0.00 -0.19 1.05 -0.48 0.16 0.00 0.00 175.35 175.90 3h38 s LEU 114 N 1.79 3.85 0.26 5.43 -0.00 -1.26 -4.84 118.68 123.92 3h38 s LEU 114 Ca 0.15 1.98 -0.29 0.00 -0.00 0.00 0.00 54.13 55.97 3h38 s LEU 114 Cb -0.15 -4.53 -0.09 0.00 -0.00 0.00 0.00 46.19 41.41 3h38 s LEU 114 CO 0.09 -0.83 1.17 -2.84 -0.00 0.00 0.00 176.35 173.94 3h38 s PRO 115 N -3.18 4.54 -0.05 1.48 0.02 0.01 -4.86 135.00 132.97 3h38 s PRO 115 Ca 0.67 1.91 0.06 0.00 0.02 0.00 0.00 61.00 63.66 3h38 s PRO 115 Cb -0.18 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 3h38 s PRO 115 CO 0.22 0.05 -0.21 0.34 -0.33 0.00 0.00 177.00 177.06 3h38 s ASP 116 N -0.53 3.41 0.04 2.53 -1.08 -1.26 -1.17 116.67 118.61 3h38 s ASP 116 Ca 0.48 -0.39 0.02 0.00 -0.52 0.00 0.00 52.55 52.13 3h38 s ASP 116 Cb -0.34 -0.73 -0.02 0.00 -1.46 0.00 0.00 42.92 40.37 3h38 s ASP 116 CO 0.42 0.29 -0.07 0.68 0.52 0.00 0.00 175.17 177.02 3h38 s VAL 117 N -0.44 0.47 -0.85 1.11 -7.23 -1.22 -4.98 120.40 107.26 3h38 s VAL 117 Ca 0.05 -1.02 0.18 0.00 -1.81 0.00 0.00 61.98 59.38 3h38 s VAL 117 Cb -0.12 -0.54 0.16 0.00 0.56 0.00 0.00 36.38 36.44 3h38 s VAL 117 CO 0.01 -0.38 1.56 -1.84 -0.31 0.00 0.00 175.10 174.14 3h38 n GLU 118 N 1.54 0.06 -1.90 4.82 0.28 -1.26 -1.80 120.64 122.38 3h38 n GLU 118 Ca -0.23 0.29 -0.42 0.00 -0.16 0.00 0.00 57.16 56.65 3h38 n GLU 118 Cb 0.55 -1.61 -0.01 0.00 1.43 0.00 0.00 31.44 31.80 3h38 n GLU 118 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3h38 n MET 119 N -1.72 2.77 -3.79 3.44 2.81 -1.26 -4.29 117.12 115.08 3h38 n MET 119 Ca 0.03 -2.69 -0.13 0.00 -1.81 0.00 0.00 57.70 53.10 3h38 n MET 119 Cb 0.20 -3.32 -0.10 0.00 -0.71 0.00 0.00 33.22 29.29 3h38 n MET 119 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3h38 s SER 120 N 3.72 -0.19 0.81 7.83 0.15 -1.25 -4.56 113.70 120.21 3h38 s SER 120 Ca 0.50 0.22 -0.10 0.00 0.70 0.00 0.00 55.95 57.28 3h38 s SER 120 Cb 0.11 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.94 3h38 s SER 120 CO -0.02 -0.30 1.14 0.42 1.20 0.00 0.00 173.24 175.68 3h38 s THR 121 N -0.76 2.11 0.41 6.45 -4.23 -1.26 -4.58 115.64 113.78 3h38 s THR 121 Ca -0.09 -0.19 0.14 0.00 -1.18 0.00 0.00 61.69 60.38 3h38 s THR 121 Cb -0.04 -2.92 0.15 0.00 1.34 0.00 0.00 72.50 71.02 3h38 s THR 121 CO 0.02 0.00 1.92 -0.29 -0.54 0.00 0.00 174.62 175.74 3h38 h ILE 122 N -1.01 1.16 0.33 2.99 6.09 -1.96 -2.87 117.51 122.24 3h38 h ILE 122 Ca -0.43 -0.91 -0.00 0.00 -1.37 0.00 0.00 64.86 62.15 3h38 h ILE 122 Cb 1.28 1.49 -0.02 0.00 0.47 0.00 0.00 36.82 40.04 3h38 h ILE 122 CO 0.50 0.26 -0.33 0.50 -3.07 0.00 0.00 178.15 176.01 3h38 h LYS 123 N 0.00 -0.66 -0.59 2.19 3.64 -1.98 -1.21 116.57 117.95 3h38 h LYS 123 Ca -0.00 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3h38 h LYS 123 Cb 0.47 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3h38 h LYS 123 CO 0.03 -0.44 0.33 0.87 -2.27 0.00 0.00 179.45 177.98 3h38 h LYS 124 N -0.69 0.81 0.00 1.90 6.56 -1.86 0.12 116.57 123.41 3h38 h LYS 124 Ca -0.02 -0.08 -0.04 0.00 -1.06 0.00 0.00 60.65 59.45 3h38 h LYS 124 Cb 0.62 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 3h38 h LYS 124 CO -0.06 0.59 -0.18 0.22 -2.06 0.00 0.00 179.45 177.96 3h38 h ASP 125 N 0.82 0.00 0.20 0.86 3.58 -1.23 -2.96 116.42 117.70 3h38 h ASP 125 Ca 0.21 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.31 3h38 h ASP 125 Cb 0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3h38 h ASP 125 CO -0.04 0.18 -1.86 -0.07 -2.88 0.00 0.00 179.24 174.57 3h38 h LEU 126 N 0.00 0.44 -2.48 2.28 4.07 0.04 -3.35 115.31 116.32 3h38 h LEU 126 Ca -0.00 -0.84 0.00 0.00 0.08 0.00 0.00 57.88 57.12 3h38 h LEU 126 Cb 0.51 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3h38 h LEU 126 CO 0.02 1.74 0.00 0.22 -1.08 0.00 0.00 178.44 179.34 3h38 h TYR 127 N 0.08 0.00 -0.01 1.13 5.03 -0.67 -1.39 116.97 121.13 3h38 h TYR 127 Ca -0.37 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.94 3h38 h TYR 127 Cb 2.05 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.33 3h38 h TYR 127 CO 0.08 0.00 -0.27 2.89 -1.32 0.00 0.00 178.16 179.53 3h38 n ARG 128 N -2.84 1.28 -2.23 1.82 1.85 -1.13 -4.90 116.66 110.51 3h38 n ARG 128 Ca -0.02 -0.93 -0.27 0.00 -1.00 0.00 0.00 57.85 55.63 3h38 n ARG 128 Cb 0.07 -1.48 0.06 0.00 -1.05 0.00 0.00 32.46 30.06 3h38 n ARG 128 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3h38 s ARG 129 N -2.36 2.48 -0.03 2.89 0.52 -0.53 -5.02 118.95 116.90 3h38 s ARG 129 Ca 0.24 -0.10 -0.22 0.00 -0.52 0.00 0.00 55.73 55.14 3h38 s ARG 129 Cb 0.19 -2.18 -0.15 0.00 0.52 0.00 0.00 34.95 33.33 3h38 s ARG 129 CO 0.49 -1.06 0.97 0.38 0.02 0.00 0.00 175.30 176.10 3h38 h ASP 130 N -0.48 -0.31 -4.21 0.23 -0.00 -1.90 -3.43 116.42 106.32 3h38 h ASP 130 Ca -0.45 -0.22 -0.38 0.00 -0.00 0.00 0.00 57.03 55.98 3h38 h ASP 130 Cb 1.29 0.08 -0.18 0.00 -0.00 0.00 0.00 39.33 40.52 3h38 h ASP 130 CO 0.61 0.15 -0.75 -0.36 -0.00 0.00 0.00 179.24 178.89 3h38 s PHE 131 N -3.89 1.26 0.40 4.15 0.08 -1.26 -3.81 117.98 114.90 3h38 s PHE 131 Ca -0.13 -0.58 0.11 0.00 0.12 0.00 0.00 56.93 56.46 3h38 s PHE 131 Cb 0.01 -0.67 0.90 0.00 -0.57 0.00 0.00 43.02 42.69 3h38 s PHE 131 CO 0.46 0.09 1.94 1.79 -0.10 0.00 0.00 175.22 179.40 3h38 h THR 132 N 3.63 0.90 0.00 0.64 1.35 -1.25 0.22 112.91 118.40 3h38 h THR 132 Ca -0.39 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3h38 h THR 132 Cb 1.19 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3h38 h THR 132 CO 0.50 0.10 0.00 0.16 -0.25 0.00 0.00 175.52 176.03 3h38 h ILE 133 N 0.57 0.00 -0.18 6.82 3.07 -1.83 -2.80 117.51 123.16 3h38 h ILE 133 Ca 0.34 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 66.15 3h38 h ILE 133 Cb 0.55 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3h38 h ILE 133 CO -0.12 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.57 3h38 n ASN 134 N -3.08 2.62 -1.85 2.16 3.02 0.73 -4.37 115.26 114.48 3h38 n ASN 134 Ca 0.01 -1.85 -0.21 0.00 -0.03 0.00 0.00 54.58 52.50 3h38 n ASN 134 Cb 0.35 -0.11 0.08 0.00 -0.61 0.00 0.00 39.78 39.48 3h38 n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h38 n ALA 135 N 0.98 5.10 -2.45 5.41 0.00 -1.01 -4.10 120.51 124.44 3h38 n ALA 135 Ca 0.17 -3.59 -0.26 0.00 0.00 0.00 0.00 53.44 49.76 3h38 n ALA 135 Cb 0.50 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 19.13 3h38 n ALA 135 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h38 s MET 136 N -3.57 1.33 0.09 0.00 -1.94 -1.26 -4.66 119.30 109.30 3h38 s MET 136 Ca 0.52 -1.35 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 3h38 s MET 136 Cb 0.43 -1.67 -0.04 0.00 2.01 0.00 0.00 34.83 35.56 3h38 s MET 136 CO 0.02 0.38 -0.07 0.00 -0.01 0.00 0.00 175.02 175.34 3h38 s ALA 137 N -1.36 0.95 -0.06 3.03 0.00 -0.80 -1.79 121.76 121.74 3h38 s ALA 137 Ca 0.14 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.80 3h38 s ALA 137 Cb -0.09 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3h38 s ALA 137 CO 0.06 -0.22 -0.07 0.42 0.00 0.00 0.00 175.76 175.95 3h38 s ILE 138 N -3.46 0.79 0.06 0.00 1.01 -0.13 0.07 121.20 119.54 3h38 s ILE 138 Ca 0.10 -0.25 -0.27 0.00 0.00 0.00 0.00 60.65 60.23 3h38 s ILE 138 Cb 0.04 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 3h38 s ILE 138 CO -0.04 0.29 0.83 -0.75 0.00 0.00 0.00 174.94 175.26 3h38 s LYS 139 N 0.95 4.55 0.00 2.79 2.20 -0.79 -0.96 119.74 128.48 3h38 s LYS 139 Ca -0.10 1.18 0.22 0.00 -0.36 0.00 0.00 55.97 56.91 3h38 s LYS 139 Cb -0.15 -3.37 -0.07 0.00 -1.51 0.00 0.00 37.83 32.73 3h38 s LYS 139 CO 0.00 0.25 0.97 1.28 -0.36 0.00 0.00 175.35 177.50 3h38 n LEU 140 N 2.85 0.78 -4.77 5.43 4.77 0.19 -2.06 117.00 124.19 3h38 n LEU 140 Ca -0.01 -0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 55.27 3h38 n LEU 140 Cb 0.50 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3h38 n LEU 140 CO 0.48 0.18 1.00 0.20 -1.33 0.00 0.00 177.39 177.92 3h38 s ASN 141 N -3.25 6.41 0.17 -1.43 0.01 -1.25 -3.87 114.94 111.73 3h38 s ASN 141 Ca 0.07 2.74 -0.24 0.00 -0.71 0.00 0.00 52.86 54.72 3h38 s ASN 141 Cb 0.16 -2.65 0.07 0.00 0.41 0.00 0.00 41.25 39.24 3h38 s ASN 141 CO 0.83 -0.79 1.58 -0.65 -1.51 0.00 0.00 177.10 176.56 3h38 h PRO 142 N 2.89 -0.21 -0.62 -0.60 0.11 -1.90 0.49 132.00 132.15 3h38 h PRO 142 Ca -0.50 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3h38 h PRO 142 Cb 1.24 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3h38 h PRO 142 CO 0.63 -0.14 0.41 -0.22 -0.21 0.00 0.00 178.00 178.47 3h38 h LYS 143 N -0.22 0.70 -0.47 1.05 3.64 -1.99 -2.87 116.57 116.42 3h38 h LYS 143 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3h38 h LYS 143 Cb 0.56 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3h38 h LYS 143 CO -0.65 0.46 0.00 -0.25 -2.27 0.00 0.00 179.45 176.74 3h38 n ASP 144 N -4.46 3.32 -4.62 4.20 10.43 -0.04 -5.01 116.55 120.36 3h38 n ASP 144 Ca 0.08 -1.95 -0.54 0.00 2.57 0.00 0.00 54.79 54.94 3h38 n ASP 144 Cb 0.15 -0.31 -0.07 0.00 1.84 0.00 0.00 41.12 42.73 3h38 n ASP 144 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3h38 n PHE 145 N 1.12 1.60 -0.82 1.24 -0.00 0.15 -1.55 117.46 119.19 3h38 n PHE 145 Ca 0.17 0.65 0.00 0.00 -0.00 0.00 0.00 57.45 58.28 3h38 n PHE 145 Cb 0.52 -2.34 0.00 0.00 -0.00 0.00 0.00 39.48 37.65 3h38 n PHE 145 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3h38 n GLY 146 N 2.92 0.54 3.63 7.13 0.00 -0.88 -4.80 105.19 113.74 3h38 n GLY 146 Ca 0.21 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3h38 n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h38 s LEU 147 N 0.00 4.02 -0.08 0.99 2.96 -0.60 0.37 118.68 126.34 3h38 s LEU 147 Ca 0.00 0.88 -0.30 0.00 -0.22 0.00 0.00 54.13 54.50 3h38 s LEU 147 Cb 0.00 -3.32 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 3h38 s LEU 147 CO 0.00 -0.74 1.07 -0.22 -1.32 0.00 0.00 176.35 175.14 3h38 s LEU 148 N 3.29 4.27 -0.32 -0.68 0.20 0.15 -1.88 118.68 123.71 3h38 s LEU 148 Ca 0.39 1.64 -0.05 0.00 0.69 0.00 0.00 54.13 56.80 3h38 s LEU 148 Cb -0.13 -3.56 0.04 0.00 -0.43 0.00 0.00 46.19 42.10 3h38 s LEU 148 CO 0.13 -0.47 0.07 -0.63 -0.29 0.00 0.00 176.35 175.16 3h38 s ILE 149 N 1.96 3.61 -0.39 6.68 1.01 0.11 -2.29 121.20 131.89 3h38 s ILE 149 Ca 0.51 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3h38 s ILE 149 Cb -0.21 -3.01 0.13 0.00 0.01 0.00 0.00 42.46 39.38 3h38 s ILE 149 CO 0.20 -0.11 0.21 -0.62 0.00 0.00 0.00 174.94 174.62 3h38 s ASP 150 N 1.38 3.53 0.36 3.58 3.68 -0.40 -1.90 116.67 126.91 3h38 s ASP 150 Ca -0.02 -2.34 0.19 0.00 2.13 0.00 0.00 52.55 52.52 3h38 s ASP 150 Cb -0.19 -0.83 0.31 0.00 -1.45 0.00 0.00 42.92 40.76 3h38 s ASP 150 CO 0.02 -0.30 1.57 -0.26 0.13 0.00 0.00 175.17 176.32 3h38 h PHE 151 N 7.04 0.00 -0.05 -5.34 0.04 -1.83 -3.38 116.94 113.42 3h38 h PHE 151 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3h38 h PHE 151 Cb 0.95 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.10 3h38 h PHE 151 CO 0.45 0.29 0.00 1.19 -0.60 0.00 0.00 178.31 179.63 3h38 n PHE 152 N -3.20 0.06 -0.56 -0.55 3.72 -1.26 -4.97 117.46 110.70 3h38 n PHE 152 Ca 0.02 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3h38 n PHE 152 Cb 0.61 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 3h38 n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h38 n GLY 153 N 0.32 0.83 0.34 1.37 0.00 -1.26 -4.92 105.19 101.87 3h38 n GLY 153 Ca 0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 3h38 n GLY 153 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h38 h GLY 154 N 0.00 1.25 0.97 -0.02 0.00 -1.88 -0.41 103.07 102.98 3h38 h GLY 154 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 3h38 h GLY 154 CO 0.00 0.62 -0.18 -1.82 0.00 0.00 0.00 176.54 175.16 3h38 h TYR 155 N 1.15 -0.46 -0.95 5.60 3.20 -1.94 -1.59 116.97 121.97 3h38 h TYR 155 Ca 0.27 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.22 3h38 h TYR 155 Cb 0.18 0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 3h38 h TYR 155 CO 0.02 -0.26 0.59 -0.09 -1.64 0.00 0.00 178.16 176.78 3h38 h ARG 156 N -0.53 0.97 0.00 1.82 1.12 -1.97 -2.67 114.38 113.11 3h38 h ARG 156 Ca -0.05 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.67 3h38 h ARG 156 Cb 0.40 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 3h38 h ARG 156 CO 0.08 0.64 -0.44 -0.44 -3.11 0.00 0.00 179.97 176.71 3h38 h ASP 157 N 1.00 0.00 0.05 -3.80 3.45 -0.74 -2.34 116.42 114.03 3h38 h ASP 157 Ca 0.45 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.91 3h38 h ASP 157 Cb 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3h38 h ASP 157 CO -0.23 0.44 -0.02 -0.07 -1.57 0.00 0.00 179.24 177.79 3h38 h LEU 158 N 0.00 -0.05 -0.35 1.55 3.38 -0.98 0.19 115.31 119.06 3h38 h LEU 158 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3h38 h LEU 158 Cb 0.99 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3h38 h LEU 158 CO 0.06 0.13 0.00 0.29 0.09 0.00 0.00 178.44 179.01 3h38 n LYS 159 N -5.03 0.06 -0.04 1.13 5.02 -1.02 -1.51 118.16 116.77 3h38 n LYS 159 Ca -0.08 0.40 0.03 0.00 -2.02 0.00 0.00 58.31 56.64 3h38 n LYS 159 Cb 0.13 -1.65 0.05 0.00 -0.02 0.00 0.00 35.03 33.54 3h38 n LYS 159 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3h38 n GLU 160 N -1.77 1.08 -3.48 1.97 1.02 -0.91 -5.01 120.64 113.53 3h38 n GLU 160 Ca 0.02 -1.26 -0.20 0.00 -0.02 0.00 0.00 57.16 55.70 3h38 n GLU 160 Cb 0.13 -1.15 0.08 0.00 -0.02 0.00 0.00 31.44 30.49 3h38 n GLU 160 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h38 n GLY 161 N 0.29 -0.42 3.38 0.62 0.00 -0.57 -4.87 105.19 103.62 3h38 n GLY 161 Ca 0.05 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3h38 n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h38 s VAL 162 N -3.33 2.75 -0.31 1.61 1.01 0.60 -0.60 120.40 122.13 3h38 s VAL 162 Ca 0.25 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 3h38 s VAL 162 Cb -0.11 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3h38 s VAL 162 CO 0.71 0.56 0.19 -0.63 0.00 0.00 0.00 175.10 175.94 3h38 s ILE 163 N -0.20 5.04 -0.02 2.22 -1.09 0.21 -4.67 121.20 122.68 3h38 s ILE 163 Ca -0.01 -0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 3h38 s ILE 163 Cb -0.13 -3.52 0.02 0.00 -1.58 0.00 0.00 42.46 37.25 3h38 s ILE 163 CO 0.03 0.10 -0.01 -0.60 -1.23 0.00 0.00 174.94 173.24 3h38 s ARG 164 N 1.69 0.29 0.62 2.79 3.52 -1.26 -2.38 118.95 124.22 3h38 s ARG 164 Ca 0.06 0.02 -0.12 0.00 -0.13 0.00 0.00 55.73 55.57 3h38 s ARG 164 Cb -0.17 -0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 32.78 3h38 s ARG 164 CO 0.09 -0.08 1.03 0.14 -0.81 0.00 0.00 175.30 175.67 3h38 s VAL 165 N 0.72 4.53 -0.61 7.11 -7.23 -1.26 -0.75 120.40 122.91 3h38 s VAL 165 Ca -0.07 0.88 0.25 0.00 -1.81 0.00 0.00 61.98 61.22 3h38 s VAL 165 Cb -0.10 -3.75 0.23 0.00 0.56 0.00 0.00 36.38 33.31 3h38 s VAL 165 CO -0.01 -1.02 1.58 -0.07 -0.31 0.00 0.00 175.10 175.27 3h38 h LEU 166 N -0.23 0.00 -7.93 1.32 3.38 -1.83 -3.45 115.31 106.58 3h38 h LEU 166 Ca -0.44 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.55 3h38 h LEU 166 Cb 1.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 3h38 h LEU 166 CO 0.61 0.02 0.24 -1.38 0.09 0.00 0.00 178.44 178.03 3h38 s HIS 167 N -3.16 -0.20 0.44 1.13 -3.43 -1.26 -5.08 115.29 103.72 3h38 s HIS 167 Ca 0.08 -0.23 0.34 0.00 -0.80 0.00 0.00 55.06 54.45 3h38 s HIS 167 Cb 0.11 0.70 1.76 0.00 -1.43 0.00 0.00 32.58 33.72 3h38 s HIS 167 CO 0.66 -1.20 2.16 1.15 -2.00 0.00 0.00 174.74 175.51 3h38 h THR 168 N 2.00 0.27 -0.50 -5.38 2.02 -2.03 -2.82 112.91 106.47 3h38 h THR 168 Ca -0.20 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3h38 h THR 168 Cb 1.25 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3h38 h THR 168 CO 0.24 0.05 0.00 0.18 0.37 0.00 0.00 175.52 176.36 3h38 n LEU 169 N -3.36 4.44 -0.27 2.58 4.32 -1.26 -4.64 117.00 118.81 3h38 n LEU 169 Ca -0.02 -2.59 -0.04 0.00 -0.02 0.00 0.00 56.01 53.34 3h38 n LEU 169 Cb 0.19 -0.54 0.12 0.00 -1.62 0.00 0.00 43.42 41.57 3h38 n LEU 169 CO 0.26 0.74 1.10 -1.28 -1.22 0.00 0.00 177.39 176.99 3h38 h SER 170 N 3.22 1.03 0.39 -1.43 0.87 -1.91 0.90 113.55 116.62 3h38 h SER 170 Ca 0.00 -0.13 -0.24 0.00 -1.23 0.00 0.00 61.79 60.19 3h38 h SER 170 Cb 1.43 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 3h38 h SER 170 CO 0.24 0.88 -1.04 -0.26 -0.53 0.00 0.00 176.83 176.11 3h38 h PHE 171 N 1.12 0.62 -0.15 2.24 0.04 -1.82 -2.67 116.94 116.32 3h38 h PHE 171 Ca 0.27 -0.37 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 3h38 h PHE 171 Cb 0.13 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 3h38 h PHE 171 CO 0.01 1.21 -0.08 0.28 -0.60 0.00 0.00 178.31 179.14 3h38 h VAL 172 N 0.20 1.32 -0.09 -0.55 2.07 -1.80 -0.59 116.25 116.81 3h38 h VAL 172 Ca -0.10 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.31 3h38 h VAL 172 Cb 1.71 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 33.17 3h38 h VAL 172 CO 0.18 0.33 -0.42 0.44 0.02 0.00 0.00 177.57 178.12 3h38 h ASP 173 N -0.02 -1.32 -3.23 0.57 3.45 -0.93 -3.41 116.42 111.53 3h38 h ASP 173 Ca 0.03 0.16 -0.60 0.00 0.43 0.00 0.00 57.03 57.05 3h38 h ASP 173 Cb 0.55 0.51 -0.40 0.00 -0.56 0.00 0.00 39.33 39.44 3h38 h ASP 173 CO 0.02 -0.38 -0.76 -0.62 -1.57 0.00 0.00 179.24 175.93 3h38 s ASP 174 N -4.31 3.66 0.00 6.45 3.68 -1.01 -3.97 116.67 121.17 3h38 s ASP 174 Ca -0.12 -2.22 0.11 0.00 2.13 0.00 0.00 52.55 52.45 3h38 s ASP 174 Cb 0.05 -0.87 0.48 0.00 -1.45 0.00 0.00 42.92 41.14 3h38 s ASP 174 CO 0.47 -0.32 1.31 -2.65 0.13 0.00 0.00 175.17 174.10 3h38 n PRO 175 N 4.07 0.05 0.28 4.34 -0.02 -0.23 -1.50 135.00 141.98 3h38 n PRO 175 Ca 0.06 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 61.95 3h38 n PRO 175 Cb 0.37 -1.50 0.83 0.00 -0.02 0.00 0.00 33.50 33.18 3h38 n PRO 175 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3h38 h THR 176 N 0.00 0.51 0.00 3.45 2.02 -1.93 -1.00 112.91 115.96 3h38 h THR 176 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3h38 h THR 176 Cb 0.16 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3h38 h THR 176 CO 0.00 0.06 0.00 0.54 0.37 0.00 0.00 175.52 176.49 3h38 n ARG 177 N -3.69 0.06 -0.11 6.66 1.74 -0.56 -2.29 116.66 118.47 3h38 n ARG 177 Ca -0.02 0.23 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 3h38 n ARG 177 Cb 0.17 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 3h38 n ARG 177 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3h38 h ILE 178 N 0.00 1.26 0.00 0.55 2.04 -1.39 -0.76 117.51 119.22 3h38 h ILE 178 Ca 0.00 -0.97 -0.27 0.00 1.00 0.00 0.00 64.86 64.62 3h38 h ILE 178 Cb 0.36 1.25 0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3h38 h ILE 178 CO 0.00 0.32 -1.05 -0.07 0.00 0.00 0.00 178.15 177.35 3h38 h LEU 179 N 0.38 0.92 -1.22 1.44 3.38 -1.63 -3.22 115.31 115.36 3h38 h LEU 179 Ca 0.09 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3h38 h LEU 179 Cb 0.46 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3h38 h LEU 179 CO 0.02 1.54 0.48 0.03 0.09 0.00 0.00 178.44 180.60 3h38 h ARG 180 N 0.39 1.00 -0.05 1.13 3.08 -1.45 -1.08 114.38 117.40 3h38 h ARG 180 Ca -0.13 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3h38 h ARG 180 Cb 1.71 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 3h38 h ARG 180 CO 0.21 0.68 0.03 0.00 -1.07 0.00 0.00 179.97 179.82 3h38 h ALA 181 N 1.50 0.07 -0.47 0.04 0.00 -1.17 -1.01 119.26 118.22 3h38 h ALA 181 Ca 0.27 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3h38 h ALA 181 Cb -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3h38 h ALA 181 CO -0.06 -0.39 0.25 0.82 0.00 0.00 0.00 179.25 179.87 3h38 h ILE 182 N -0.01 0.99 -0.42 0.00 2.04 -1.49 0.14 117.51 118.75 3h38 h ILE 182 Ca 0.02 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.77 3h38 h ILE 182 Cb 0.08 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 3h38 h ILE 182 CO -0.00 0.09 0.13 -0.09 0.00 0.00 0.00 178.15 178.27 3h38 h ARG 183 N 0.49 0.27 0.00 2.37 2.43 -0.80 0.25 114.38 119.39 3h38 h ARG 183 Ca 0.20 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 3h38 h ARG 183 Cb 0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3h38 h ARG 183 CO -0.13 0.18 -0.46 0.74 -1.51 0.00 0.00 179.97 178.79 3h38 h PHE 184 N 0.28 0.00 -0.24 2.20 -1.00 -1.01 -1.44 116.94 115.72 3h38 h PHE 184 Ca 0.20 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.00 3h38 h PHE 184 Cb 0.22 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 3h38 h PHE 184 CO -0.17 0.46 0.12 1.49 -1.61 0.00 0.00 178.31 178.60 3h38 h GLU 185 N 0.00 0.25 0.00 1.51 4.81 0.39 -2.80 114.58 118.75 3h38 h GLU 185 Ca -0.00 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 3h38 h GLU 185 Cb 1.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3h38 h GLU 185 CO 0.06 0.17 -0.74 1.96 -0.73 0.00 0.00 179.01 179.72 3h38 h GLN 186 N 0.26 0.00 -0.36 1.92 1.08 -0.95 -1.28 115.11 115.79 3h38 h GLN 186 Ca 0.10 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.18 3h38 h GLN 186 Cb 0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3h38 h GLN 186 CO -0.07 0.74 -0.25 -0.09 -0.95 0.00 0.00 178.83 178.21 3h38 h ARG 187 N 0.00 0.73 0.00 1.46 2.43 -1.13 -3.42 114.38 114.46 3h38 h ARG 187 Ca -0.01 -0.31 -0.44 0.00 -0.81 0.00 0.00 59.98 58.42 3h38 h ARG 187 Cb 1.53 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.05 3h38 h ARG 187 CO 0.10 0.91 -0.14 1.19 -1.51 0.00 0.00 179.97 180.52 3h38 n PHE 188 N -4.10 -1.64 -2.68 2.20 3.72 -1.07 -5.01 117.46 108.88 3h38 n PHE 188 Ca -0.00 -1.85 -0.42 0.00 -0.05 0.00 0.00 57.45 55.13 3h38 n PHE 188 Cb 0.45 -0.42 0.01 0.00 -0.94 0.00 0.00 39.48 38.58 3h38 n PHE 188 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3h38 n ASP 189 N -2.17 6.77 -4.90 4.37 -0.08 -1.26 -4.73 116.55 114.55 3h38 n ASP 189 Ca 0.07 -3.44 -0.21 0.00 -1.51 0.00 0.00 54.79 49.69 3h38 n ASP 189 Cb 0.51 -1.27 -0.03 0.00 2.34 0.00 0.00 41.12 42.67 3h38 n ASP 189 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3h38 s PHE 190 N -2.77 3.13 0.08 -0.67 2.99 -0.48 -4.95 117.98 115.31 3h38 s PHE 190 Ca 0.37 -0.16 0.09 0.00 0.00 0.00 0.00 56.93 57.23 3h38 s PHE 190 Cb 0.12 -1.67 -0.03 0.00 0.00 0.00 0.00 43.02 41.43 3h38 s PHE 190 CO -0.01 0.30 -0.24 -0.98 -0.00 0.00 0.00 175.22 174.29 3h38 s ARG 191 N -3.99 1.73 -0.38 0.44 1.70 0.23 -4.66 118.95 114.03 3h38 s ARG 191 Ca 0.38 -1.17 -0.28 0.00 -0.47 0.00 0.00 55.73 54.18 3h38 s ARG 191 Cb -0.08 -2.01 0.02 0.00 -0.57 0.00 0.00 34.95 32.31 3h38 s ARG 191 CO 0.28 0.49 1.07 0.42 -1.08 0.00 0.00 175.30 176.48 3h38 s ILE 192 N -0.95 4.42 0.71 4.99 1.01 -1.26 -0.62 121.20 129.50 3h38 s ILE 192 Ca 0.14 1.49 -0.16 0.00 0.00 0.00 0.00 60.65 62.11 3h38 s ILE 192 Cb -0.10 -4.46 0.02 0.00 0.01 0.00 0.00 42.46 37.93 3h38 s ILE 192 CO 0.05 -0.66 1.24 -1.83 0.00 0.00 0.00 174.94 173.74 3h38 s GLU 193 N 3.88 2.24 0.14 2.79 4.04 -1.00 -4.56 118.70 126.22 3h38 s GLU 193 Ca 0.45 1.89 -0.27 0.00 0.04 0.00 0.00 54.97 57.08 3h38 s GLU 193 Cb -0.10 -1.83 -0.06 0.00 0.02 0.00 0.00 34.13 32.15 3h38 s GLU 193 CO 0.21 -1.79 1.42 -1.91 -1.84 0.00 0.00 175.26 171.35 3h38 n GLU 194 N -2.45 -0.39 -0.04 -4.83 2.13 -1.26 -1.19 120.64 112.61 3h38 n GLU 194 Ca 0.14 1.39 -0.09 0.00 0.66 0.00 0.00 57.16 59.27 3h38 n GLU 194 Cb 0.49 -2.05 -0.03 0.00 0.27 0.00 0.00 31.44 30.13 3h38 n GLU 194 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3h38 h THR 195 N 0.00 0.88 -0.17 6.31 2.02 -1.98 -1.63 112.91 118.34 3h38 h THR 195 Ca 0.14 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 3h38 h THR 195 Cb 0.36 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3h38 h THR 195 CO -0.83 0.01 -0.14 0.00 0.37 0.00 0.00 175.52 174.93 3h38 h THR 196 N 0.07 1.20 -0.09 3.16 1.03 -1.76 -1.64 112.91 114.88 3h38 h THR 196 Ca 0.09 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.62 3h38 h THR 196 Cb 0.10 1.23 -0.00 0.00 -1.07 0.00 0.00 68.15 68.41 3h38 h THR 196 CO -0.14 0.27 0.06 -0.08 -0.01 0.00 0.00 175.52 175.62 3h38 h GLU 197 N 0.26 0.12 -0.70 0.00 4.81 -0.40 0.84 114.58 119.52 3h38 h GLU 197 Ca 0.05 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3h38 h GLU 197 Cb 0.42 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 3h38 h GLU 197 CO 0.03 0.10 0.37 -0.09 -0.73 0.00 0.00 179.01 178.68 3h38 h ARG 198 N 0.11 0.63 -0.85 1.92 2.43 -0.96 -1.40 114.38 116.27 3h38 h ARG 198 Ca 0.03 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3h38 h ARG 198 Cb 0.00 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.36 3h38 h ARG 198 CO -0.01 0.42 0.54 -0.07 -1.51 0.00 0.00 179.97 179.34 3h38 h LEU 199 N 0.65 0.87 -0.26 3.80 4.07 -0.45 -2.26 115.31 121.73 3h38 h LEU 199 Ca 0.33 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.30 3h38 h LEU 199 Cb 0.28 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3h38 h LEU 199 CO -0.23 0.59 0.16 0.25 -1.08 0.00 0.00 178.44 178.13 3h38 h LEU 200 N 1.02 0.27 -0.74 1.67 6.46 -0.28 -2.50 115.31 121.21 3h38 h LEU 200 Ca 0.35 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.05 3h38 h LEU 200 Cb 0.07 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 3h38 h LEU 200 CO -0.14 0.19 0.24 0.11 -0.62 0.00 0.00 178.44 178.22 3h38 h LYS 201 N 0.33 1.14 0.28 1.25 1.57 -0.97 -1.13 116.57 119.04 3h38 h LYS 201 Ca 0.10 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3h38 h LYS 201 Cb -0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3h38 h LYS 201 CO -0.04 0.97 -0.15 1.96 -0.57 0.00 0.00 179.45 181.62 3h38 h GLN 202 N 1.09 -0.38 -0.58 3.15 4.20 -1.29 -0.26 115.11 121.03 3h38 h GLN 202 Ca 0.24 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.04 3h38 h GLN 202 Cb 0.30 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 3h38 h GLN 202 CO -0.01 -0.26 0.28 0.00 -0.67 0.00 0.00 178.83 178.18 3h38 h ALA 203 N 0.32 0.76 0.27 3.87 0.00 -1.23 0.15 119.26 123.40 3h38 h ALA 203 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h38 h ALA 203 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h38 h ALA 203 CO 0.05 -0.08 -0.13 0.28 0.00 0.00 0.00 179.25 179.36 3h38 h VAL 204 N 0.52 0.75 -0.02 0.00 2.07 -1.02 -2.45 116.25 116.11 3h38 h VAL 204 Ca 0.27 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3h38 h VAL 204 Cb 0.23 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3h38 h VAL 204 CO -0.21 0.03 0.00 -1.84 0.02 0.00 0.00 177.57 175.57 3h38 n GLU 205 N -5.22 1.14 -0.21 1.57 0.28 -0.13 -3.09 120.64 115.00 3h38 n GLU 205 Ca -0.10 -0.21 0.07 0.00 -0.16 0.00 0.00 57.16 56.76 3h38 n GLU 205 Cb 0.19 -1.36 0.19 0.00 1.43 0.00 0.00 31.44 31.88 3h38 n GLU 205 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3h38 n GLU 206 N -0.62 2.69 -0.14 3.44 1.02 0.48 -4.99 120.64 122.52 3h38 n GLU 206 Ca 0.17 -2.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 3h38 n GLU 206 Cb 0.13 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3h38 n GLU 206 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h38 n GLY 207 N 0.80 0.92 0.19 0.62 0.00 -1.18 -5.00 105.19 101.55 3h38 n GLY 207 Ca 0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 3h38 n GLY 207 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3h38 h TYR 208 N 0.00 0.55 0.08 1.61 0.05 -1.64 -2.03 116.97 115.59 3h38 h TYR 208 Ca 0.00 -0.20 0.01 0.00 0.05 0.00 0.00 58.73 58.59 3h38 h TYR 208 Cb 0.00 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 3h38 h TYR 208 CO 0.00 0.91 -0.13 -0.07 -1.05 0.00 0.00 178.16 177.82 3h38 h LEU 209 N 0.32 -0.37 -1.78 3.88 4.07 -1.86 -1.40 115.31 118.18 3h38 h LEU 209 Ca -0.00 0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.06 3h38 h LEU 209 Cb 1.12 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.98 3h38 h LEU 209 CO 0.10 -0.20 0.27 1.05 -1.08 0.00 0.00 178.44 178.58 3h38 h GLU 210 N -0.27 0.26 0.00 1.13 9.09 -1.75 -0.77 114.58 122.28 3h38 h GLU 210 Ca 0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3h38 h GLU 210 Cb 0.28 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.32 3h38 h GLU 210 CO -0.07 0.17 -0.06 0.00 0.05 0.00 0.00 179.01 179.10 3h38 h ARG 211 N 0.27 0.00 -7.04 1.06 3.08 -0.54 -3.44 114.38 107.78 3h38 h ARG 211 Ca 0.18 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.73 3h38 h ARG 211 Cb 0.35 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.45 3h38 h ARG 211 CO -0.04 0.06 0.18 -0.08 -1.07 0.00 0.00 179.97 179.02 3h38 s THR 212 N -3.56 4.70 0.42 2.04 -1.32 -0.30 -4.96 115.64 112.66 3h38 s THR 212 Ca 0.02 0.29 -0.22 0.00 -1.21 0.00 0.00 61.69 60.58 3h38 s THR 212 Cb 0.08 -3.81 -0.11 0.00 -1.51 0.00 0.00 72.50 67.16 3h38 s THR 212 CO 0.59 -0.85 0.95 0.42 -2.21 0.00 0.00 174.62 173.52 3h38 s THR 213 N -2.86 4.36 0.13 5.08 -4.23 -1.26 -4.98 115.64 111.89 3h38 s THR 213 Ca 0.50 1.53 -0.29 0.00 -1.18 0.00 0.00 61.69 62.25 3h38 s THR 213 Cb -0.10 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 3h38 s THR 213 CO 0.47 -0.26 1.58 1.23 -0.54 0.00 0.00 174.62 177.09 3h38 h GLY 214 N 2.07 -0.69 0.93 3.99 0.00 -1.93 -2.92 103.07 104.51 3h38 h GLY 214 Ca -0.49 0.53 0.11 0.00 0.00 0.00 0.00 47.33 47.48 3h38 h GLY 214 CO 0.61 -0.22 0.44 -2.55 0.00 0.00 0.00 176.54 174.83 3h38 h PRO 215 N -0.47 0.42 -0.09 4.80 0.11 -1.95 0.33 132.00 135.15 3h38 h PRO 215 Ca 0.08 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3h38 h PRO 215 Cb 0.62 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3h38 h PRO 215 CO -0.43 0.28 -0.15 0.00 -0.21 0.00 0.00 178.00 177.49 3h38 h ARG 216 N 0.43 0.26 -0.64 1.05 3.08 -1.94 -2.26 114.38 114.38 3h38 h ARG 216 Ca 0.31 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3h38 h ARG 216 Cb 0.62 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3h38 h ARG 216 CO -0.09 0.74 0.42 -0.07 -1.07 0.00 0.00 179.97 179.90 3h38 h LEU 217 N -0.18 0.73 -0.79 3.04 4.07 -1.12 -2.37 115.31 118.70 3h38 h LEU 217 Ca 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 3h38 h LEU 217 Cb 0.71 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 3h38 h LEU 217 CO 0.03 0.53 0.47 -0.09 -1.08 0.00 0.00 178.44 178.31 3h38 h ARG 218 N 0.87 1.07 -0.33 1.13 2.43 -0.32 -0.07 114.38 119.16 3h38 h ARG 218 Ca 0.24 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3h38 h ARG 218 Cb -0.10 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.22 3h38 h ARG 218 CO -0.05 0.76 -0.21 0.37 -1.51 0.00 0.00 179.97 179.33 3h38 h GLN 219 N 1.08 0.62 0.00 0.20 4.15 -0.97 0.31 115.11 120.50 3h38 h GLN 219 Ca 0.28 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 3h38 h GLN 219 Cb -0.03 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3h38 h GLN 219 CO -0.05 0.79 -0.36 0.93 -1.93 0.00 0.00 178.83 178.20 3h38 h GLU 220 N 0.55 0.00 -0.03 1.69 4.39 -0.91 -2.44 114.58 117.83 3h38 h GLU 220 Ca 0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3h38 h GLU 220 Cb 0.66 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3h38 h GLU 220 CO 0.05 0.36 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.17 3h38 h LEU 221 N 0.00 0.07 -1.14 1.33 4.07 0.94 -1.28 115.31 119.30 3h38 h LEU 221 Ca -0.00 -0.46 0.05 0.00 0.08 0.00 0.00 57.88 57.54 3h38 h LEU 221 Cb 0.83 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.49 3h38 h LEU 221 CO 0.05 0.52 0.59 -0.33 -1.08 0.00 0.00 178.44 178.18 3h38 h GLU 222 N -0.37 1.05 -0.31 1.13 5.08 -0.40 -1.22 114.58 119.53 3h38 h GLU 222 Ca 0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3h38 h GLU 222 Cb 0.50 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3h38 h GLU 222 CO 0.01 0.69 0.12 -0.22 -1.00 0.00 0.00 179.01 178.61 3h38 h LYS 223 N 1.08 0.47 -0.72 2.33 3.64 -1.35 -0.17 116.57 121.85 3h38 h LYS 223 Ca 0.37 -0.09 0.15 0.00 -1.27 0.00 0.00 60.65 59.81 3h38 h LYS 223 Cb 0.09 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.74 3h38 h LYS 223 CO -0.12 0.48 0.21 0.82 -2.27 0.00 0.00 179.45 178.57 3h38 h ILE 224 N 0.35 0.58 0.00 2.00 2.04 -0.75 -2.43 117.51 119.30 3h38 h ILE 224 Ca 0.10 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3h38 h ILE 224 Cb 0.20 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3h38 h ILE 224 CO -0.01 0.06 -0.18 -0.07 0.00 0.00 0.00 178.15 177.96 3h38 h LEU 225 N 0.32 0.00 -0.76 1.44 3.38 0.13 -0.49 115.31 119.33 3h38 h LEU 225 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3h38 h LEU 225 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3h38 h LEU 225 CO -0.46 0.18 -0.04 -0.62 0.09 0.00 0.00 178.44 177.59 3h38 n GLU 226 N -4.22 1.43 -1.52 1.13 -0.58 -0.47 -4.81 120.64 111.60 3h38 n GLU 226 Ca -0.02 -0.76 -0.30 0.00 -0.42 0.00 0.00 57.16 55.66 3h38 n GLU 226 Cb 0.24 -1.48 0.22 0.00 -0.57 0.00 0.00 31.44 29.85 3h38 n GLU 226 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3h38 s GLU 227 N -2.09 -0.33 0.00 3.49 2.56 -0.19 -5.01 118.70 117.13 3h38 s GLU 227 Ca 0.37 -0.27 -0.25 0.00 0.00 0.00 0.00 54.97 54.82 3h38 s GLU 227 Cb 0.21 -1.72 -0.19 0.00 2.00 0.00 0.00 34.13 34.43 3h38 s GLU 227 CO 0.37 -3.08 1.35 1.57 -0.56 0.00 0.00 175.26 174.91 3h38 h LYS 228 N -2.13 -0.03 -3.01 4.30 2.10 -1.90 -3.39 116.57 112.52 3h38 h LYS 228 Ca -0.44 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.59 3h38 h LYS 228 Cb 1.26 0.01 -0.41 0.00 -0.90 0.00 0.00 32.23 32.18 3h38 h LYS 228 CO 0.35 0.36 -0.64 -0.80 -2.00 0.00 0.00 179.45 176.72 3h38 s ASN 229 N -5.56 4.27 0.28 7.07 0.01 -1.26 -4.94 114.94 114.82 3h38 s ASN 229 Ca -0.15 -3.62 -0.01 0.00 -0.71 0.00 0.00 52.86 48.37 3h38 s ASN 229 Cb 0.02 -1.45 0.46 0.00 0.41 0.00 0.00 41.25 40.70 3h38 s ASN 229 CO 0.66 -0.12 1.91 -0.65 -1.51 0.00 0.00 177.10 177.39 3h38 h PRO 230 N 5.59 1.08 -0.40 -0.60 0.11 -1.83 -2.26 132.00 133.70 3h38 h PRO 230 Ca 0.13 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3h38 h PRO 230 Cb 0.80 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 3h38 h PRO 230 CO 0.66 0.72 0.20 1.25 -0.21 0.00 0.00 178.00 180.62 3h38 h LEU 231 N 1.12 0.49 -0.59 2.35 6.46 -1.95 0.47 115.31 123.65 3h38 h LEU 231 Ca 0.40 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 58.10 3h38 h LEU 231 Cb 0.14 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 3h38 h LEU 231 CO -0.14 0.41 0.28 0.11 -0.62 0.00 0.00 178.44 178.47 3h38 h LYS 232 N 0.55 0.86 0.06 1.25 1.79 -1.84 -0.84 116.57 118.42 3h38 h LYS 232 Ca 0.14 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3h38 h LYS 232 Cb 0.04 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 3h38 h LYS 232 CO -0.02 0.71 -0.03 0.77 -1.08 0.00 0.00 179.45 179.80 3h38 h SER 233 N 0.81 -0.07 -0.78 0.86 0.02 -1.15 -1.33 113.55 111.91 3h38 h SER 233 Ca 0.20 -0.29 0.13 0.00 -0.84 0.00 0.00 61.79 60.99 3h38 h SER 233 Cb 0.14 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.61 3h38 h SER 233 CO -0.02 0.26 0.38 0.40 -1.14 0.00 0.00 176.83 176.70 3h38 h ILE 234 N -0.41 0.75 0.00 3.27 2.04 -0.92 0.40 117.51 122.63 3h38 h ILE 234 Ca -0.01 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 3h38 h ILE 234 Cb 0.36 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3h38 h ILE 234 CO 0.01 0.10 -0.43 0.03 0.00 0.00 0.00 178.15 177.87 3h38 h ARG 235 N 0.57 0.00 -0.20 2.37 3.08 -0.99 -1.54 114.38 117.66 3h38 h ARG 235 Ca 0.41 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.32 3h38 h ARG 235 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3h38 h ARG 235 CO -0.34 0.43 -0.43 -0.09 -1.07 0.00 0.00 179.97 178.46 3h38 h ARG 236 N 0.00 0.65 -0.56 0.04 9.65 0.24 -0.13 114.38 124.27 3h38 h ARG 236 Ca -0.00 -0.43 0.06 0.00 -1.10 0.00 0.00 59.98 58.50 3h38 h ARG 236 Cb 0.96 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.54 3h38 h ARG 236 CO 0.06 1.05 0.28 0.52 2.80 0.00 0.00 179.97 184.67 3h38 h MET 237 N 0.34 0.51 -0.63 0.20 2.86 0.08 -0.84 114.93 117.45 3h38 h MET 237 Ca 0.00 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3h38 h MET 237 Cb 1.04 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 3h38 h MET 237 CO 0.10 0.34 0.04 0.00 1.06 0.00 0.00 176.91 178.44 3h38 h ALA 238 N 1.32 0.87 -0.47 6.32 0.00 -1.12 0.20 119.26 126.38 3h38 h ALA 238 Ca 0.26 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3h38 h ALA 238 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3h38 h ALA 238 CO -0.19 0.67 0.31 1.96 0.00 0.00 0.00 179.25 182.00 3h38 h GLN 239 N 1.00 0.43 -0.12 0.00 4.20 -0.19 0.13 115.11 120.56 3h38 h GLN 239 Ca 0.18 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3h38 h GLN 239 Cb 0.52 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3h38 h GLN 239 CO 0.02 0.29 0.00 1.19 -0.67 0.00 0.00 178.83 179.66 3h38 n PHE 240 N -4.48 0.14 -1.28 2.96 3.72 -0.40 -4.94 117.46 113.19 3h38 n PHE 240 Ca 0.06 -0.07 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 3h38 n PHE 240 Cb 0.21 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 3h38 n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3h38 n ASP 241 N 0.64 -4.35 -0.07 4.37 10.43 0.44 -4.93 116.55 123.08 3h38 n ASP 241 Ca 0.17 0.24 -0.13 0.00 2.57 0.00 0.00 54.79 57.64 3h38 n ASP 241 Cb 0.43 -2.69 -0.06 0.00 1.84 0.00 0.00 41.12 40.65 3h38 n ASP 241 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3h38 h VAL 242 N 0.00 1.32 -0.63 2.53 2.07 -0.94 -3.31 116.25 117.29 3h38 h VAL 242 Ca -0.19 -1.38 0.12 0.00 0.82 0.00 0.00 66.70 66.06 3h38 h VAL 242 Cb 0.69 1.73 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 3h38 h VAL 242 CO 0.29 0.42 0.18 0.40 0.02 0.00 0.00 177.57 178.88 3h38 h ILE 243 N 0.21 0.66 -0.28 4.57 2.04 -1.91 -0.32 117.51 122.49 3h38 h ILE 243 Ca 0.03 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3h38 h ILE 243 Cb 0.77 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3h38 h ILE 243 CO 0.05 0.06 -0.13 0.07 0.00 0.00 0.00 178.15 178.20 3h38 h LYS 244 N 0.32 0.47 0.00 2.37 -0.00 -1.73 0.26 116.57 118.26 3h38 h LYS 244 Ca 0.33 -0.13 0.00 0.00 -0.00 0.00 0.00 60.65 60.85 3h38 h LYS 244 Cb 0.49 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 32.67 3h38 h LYS 244 CO -0.39 0.60 0.00 0.45 -0.00 0.00 0.00 179.45 180.11 3h38 h HIS 245 N 0.43 0.00 0.20 0.07 3.86 -1.28 -2.70 115.15 115.73 3h38 h HIS 245 Ca 0.08 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.96 3h38 h HIS 245 Cb 0.49 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.98 3h38 h HIS 245 CO 0.02 0.00 -1.60 -0.07 0.86 0.00 0.00 177.93 177.14 3h38 h LEU 246 N 0.00 0.66 -7.09 2.43 3.38 -0.03 -3.40 115.31 111.26 3h38 h LEU 246 Ca 0.00 -0.93 -0.54 0.00 0.09 0.00 0.00 57.88 56.50 3h38 h LEU 246 Cb 0.65 -0.21 -0.40 0.00 0.09 0.00 0.00 40.66 40.78 3h38 h LEU 246 CO 0.00 1.74 -0.76 -0.36 0.09 0.00 0.00 178.44 179.14 3h38 s PHE 247 N -2.57 1.04 -0.76 1.13 0.40 0.80 -5.02 117.98 113.00 3h38 s PHE 247 Ca -0.14 -1.15 0.23 0.00 -0.60 0.00 0.00 56.93 55.26 3h38 s PHE 247 Cb 0.05 -1.22 0.89 0.00 0.51 0.00 0.00 43.02 43.25 3h38 s PHE 247 CO 0.87 -0.76 1.70 -2.30 0.70 0.00 0.00 175.22 175.43 3h38 n PRO 248 N 5.04 0.12 -0.05 0.24 -0.02 -1.03 -1.85 135.00 137.45 3h38 n PRO 248 Ca -0.06 0.26 0.06 0.00 -2.02 0.00 0.00 63.50 61.75 3h38 n PRO 248 Cb 0.44 -1.69 0.08 0.00 -0.02 0.00 0.00 33.50 32.31 3h38 n PRO 248 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h38 n LYS 249 N -1.92 1.30 -3.82 -0.52 4.01 -1.26 -4.97 118.16 110.98 3h38 n LYS 249 Ca 0.04 -1.48 -0.35 0.00 -0.51 0.00 0.00 58.31 56.01 3h38 n LYS 249 Cb 0.28 -1.26 -0.09 0.00 -0.51 0.00 0.00 35.03 33.45 3h38 n LYS 249 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3h38 s THR 250 N -1.04 5.17 -0.21 -0.18 -4.23 -0.77 -4.97 115.64 109.41 3h38 s THR 250 Ca 0.18 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 3h38 s THR 250 Cb 0.11 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.60 3h38 s THR 250 CO 0.16 0.44 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.28 3h38 s TYR 251 N 0.42 2.91 -0.62 3.99 2.02 -1.26 -4.31 117.35 120.50 3h38 s TYR 251 Ca 0.06 -1.21 -0.25 0.00 -0.37 0.00 0.00 57.07 55.30 3h38 s TYR 251 Cb -0.12 -2.04 0.04 0.00 -0.40 0.00 0.00 41.96 39.45 3h38 s TYR 251 CO -0.01 -0.65 1.05 -0.47 -1.57 0.00 0.00 175.55 173.91 3h38 s TYR 252 N 1.41 2.64 0.45 2.71 5.04 -1.26 -4.80 117.35 123.53 3h38 s TYR 252 Ca 0.05 -0.07 0.06 0.00 -2.44 0.00 0.00 57.07 54.67 3h38 s TYR 252 Cb -0.14 -4.30 -0.03 0.00 0.35 0.00 0.00 41.96 37.84 3h38 s TYR 252 CO -0.07 -1.60 0.22 0.95 -1.34 0.00 0.00 175.55 173.72 3h38 s THR 253 N 4.48 2.07 0.48 4.34 -4.23 -1.26 -4.94 115.64 116.58 3h38 s THR 253 Ca 0.31 -1.66 0.18 0.00 -1.18 0.00 0.00 61.69 59.34 3h38 s THR 253 Cb -0.12 -2.73 0.34 0.00 1.34 0.00 0.00 72.50 71.32 3h38 s THR 253 CO 0.17 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.63 3h38 h PRO 254 N 1.25 0.18 -0.34 3.99 0.11 -1.99 0.11 132.00 135.31 3h38 h PRO 254 Ca -0.42 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3h38 h PRO 254 Cb 1.27 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3h38 h PRO 254 CO 0.67 0.12 0.12 1.03 -0.21 0.00 0.00 178.00 179.73 3h38 h SER 255 N 0.19 0.49 -0.32 -2.05 0.87 -1.97 -2.49 113.55 108.27 3h38 h SER 255 Ca 0.20 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 3h38 h SER 255 Cb 0.56 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3h38 h SER 255 CO -0.03 0.56 -0.33 -0.03 -0.53 0.00 0.00 176.83 176.46 3h38 h MET 256 N 0.41 0.85 -0.75 2.24 1.85 -1.52 -2.98 114.93 115.03 3h38 h MET 256 Ca 0.11 -0.41 -0.01 0.00 -0.61 0.00 0.00 59.70 58.78 3h38 h MET 256 Cb 0.23 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.22 3h38 h MET 256 CO -0.01 1.05 0.43 0.22 -0.40 0.00 0.00 176.91 178.21 3h38 h ASP 257 N 0.71 0.91 -0.43 1.39 1.82 -0.81 0.12 116.42 120.12 3h38 h ASP 257 Ca 0.07 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.58 3h38 h ASP 257 Cb 0.89 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 3h38 h ASP 257 CO 0.08 0.72 0.01 -0.33 -1.61 0.00 0.00 179.24 178.11 3h38 h GLU 258 N 1.04 0.76 -0.54 0.28 5.08 -1.38 0.35 114.58 120.17 3h38 h GLU 258 Ca 0.27 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3h38 h GLU 258 Cb -0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3h38 h GLU 258 CO -0.05 0.82 -0.01 0.87 -1.00 0.00 0.00 179.01 179.64 3h38 h LYS 259 N 0.60 0.96 -0.53 2.33 1.57 -1.28 0.08 116.57 120.30 3h38 h LYS 259 Ca 0.12 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3h38 h LYS 259 Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3h38 h LYS 259 CO 0.02 0.97 0.21 1.98 -0.57 0.00 0.00 179.45 182.06 3h38 h MET 260 N 0.83 0.79 0.28 3.15 4.05 -0.58 0.41 114.93 123.86 3h38 h MET 260 Ca 0.15 -0.15 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3h38 h MET 260 Cb 0.55 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 3h38 h MET 260 CO 0.03 0.70 -0.24 1.49 0.23 0.00 0.00 176.91 179.12 3h38 h GLU 261 N 0.71 -0.51 -0.84 0.39 4.81 0.08 -2.16 114.58 117.05 3h38 h GLU 261 Ca 0.17 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.62 3h38 h GLU 261 Cb 0.20 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.59 3h38 h GLU 261 CO -0.01 -0.34 0.36 -0.91 -0.73 0.00 0.00 179.01 177.38 3h38 h ASN 262 N -0.53 0.33 0.26 1.04 -0.26 -0.73 -2.12 115.58 113.57 3h38 h ASN 262 Ca -0.02 0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3h38 h ASN 262 Cb 0.47 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.81 3h38 h ASN 262 CO -0.02 0.06 -0.47 0.25 -1.06 0.00 0.00 177.43 176.19 3h38 h LEU 263 N 0.44 -1.35 -0.42 1.61 7.12 0.32 -2.19 115.31 120.84 3h38 h LEU 263 Ca 0.50 0.13 -0.03 0.00 0.13 0.00 0.00 57.88 58.60 3h38 h LEU 263 Cb 0.85 0.48 -0.02 0.00 -0.53 0.00 0.00 40.66 41.44 3h38 h LEU 263 CO -0.47 -0.55 0.13 -0.26 -0.13 0.00 0.00 178.44 177.17 3h38 h PHE 264 N -0.78 0.68 -0.89 1.25 -1.00 -1.13 -1.63 116.94 113.42 3h38 h PHE 264 Ca -0.03 -0.07 0.23 0.00 2.81 0.00 0.00 57.97 60.91 3h38 h PHE 264 Cb 0.73 -0.20 -0.13 0.00 3.61 0.00 0.00 35.95 39.96 3h38 h PHE 264 CO -0.35 0.62 0.37 -0.09 -1.61 0.00 0.00 178.31 177.25 3h38 h ARG 265 N 0.54 0.35 0.00 1.51 2.43 -1.31 -2.35 114.38 115.54 3h38 h ARG 265 Ca 0.14 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3h38 h ARG 265 Cb 0.26 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3h38 h ARG 265 CO -0.00 0.23 -0.80 0.09 -1.51 0.00 0.00 179.97 177.98 3h38 n ASN 266 N -5.08 0.66 -0.29 -3.80 3.02 -0.83 -4.30 115.26 104.63 3h38 n ASN 266 Ca 0.22 -0.40 -0.02 0.00 -0.03 0.00 0.00 54.58 54.35 3h38 n ASN 266 Cb 0.67 0.61 0.15 0.00 -0.61 0.00 0.00 39.78 40.60 3h38 n ASN 266 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h38 h ILE 267 N 0.00 1.24 -0.01 2.41 2.04 -0.74 -2.81 117.51 119.63 3h38 h ILE 267 Ca 0.00 -0.53 -0.19 0.00 1.00 0.00 0.00 64.86 65.13 3h38 h ILE 267 Cb 0.58 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3h38 h ILE 267 CO 0.00 0.25 -0.84 -0.65 0.00 0.00 0.00 178.15 176.91 3h38 h PRO 268 N 1.18 0.25 0.00 2.37 0.11 -1.75 -1.39 132.00 132.77 3h38 h PRO 268 Ca 0.31 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3h38 h PRO 268 Cb -0.04 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3h38 h PRO 268 CO -0.06 0.96 0.00 1.87 -0.21 0.00 0.00 178.00 180.56 3h38 n TRP 269 N -3.71 0.65 -0.10 0.65 -0.00 -1.08 -0.16 117.44 113.69 3h38 n TRP 269 Ca -0.04 0.34 -0.18 0.00 -0.00 0.00 0.00 57.50 57.62 3h38 n TRP 269 Cb 0.78 -1.04 -0.13 0.00 -0.00 0.00 0.00 31.31 30.92 3h38 n TRP 269 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 3h38 n VAL 270 N -2.17 1.53 0.22 5.87 0.31 -0.62 -2.70 118.33 120.77 3h38 n VAL 270 Ca -0.01 -0.62 0.07 0.00 -0.01 0.00 0.00 64.34 63.77 3h38 n VAL 270 Cb 0.03 -1.36 0.51 0.00 -0.91 0.00 0.00 33.84 32.11 3h38 n VAL 270 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3h38 h GLU 271 N 0.01 0.00 0.05 5.55 5.08 -0.85 0.22 114.58 124.64 3h38 h GLU 271 Ca -0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3h38 h GLU 271 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 3h38 h GLU 271 CO -0.05 0.24 -0.02 1.49 -1.00 0.00 0.00 179.01 179.67 3h38 h GLU 272 N 0.00 -0.06 0.00 2.33 4.81 -0.69 -3.06 114.58 117.91 3h38 h GLU 272 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3h38 h GLU 272 Cb 0.47 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3h38 h GLU 272 CO 0.03 0.39 -1.11 0.09 -0.73 0.00 0.00 179.01 177.69 3h38 n ASN 273 N -4.90 0.60 0.00 1.04 3.02 -1.10 -4.63 115.26 109.30 3h38 n ASN 273 Ca -0.08 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 3h38 n ASN 273 Cb 0.25 0.92 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 3h38 n ASN 273 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h38 n PHE 274 N -1.95 0.00 0.00 3.10 3.72 0.77 -5.07 117.46 118.04 3h38 n PHE 274 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3h38 n PHE 274 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3h38 n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h38 n GLY 275 N 0.23 -0.54 3.77 1.37 0.00 -1.13 -4.97 105.19 103.93 3h38 n GLY 275 Ca 0.00 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 3h38 n GLY 275 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h38 s GLU 276 N 0.00 4.18 -0.21 1.61 2.02 -1.26 -3.64 118.70 121.40 3h38 s GLU 276 Ca 0.00 2.47 0.02 0.00 0.02 0.00 0.00 54.97 57.47 3h38 s GLU 276 Cb 0.00 -3.01 0.04 0.00 0.10 0.00 0.00 34.13 31.26 3h38 s GLU 276 CO 0.00 -0.45 -0.14 0.08 0.02 0.00 0.00 175.26 174.77 3h38 s VAL 277 N -0.99 1.95 -0.45 2.63 1.01 -1.26 -4.91 120.40 118.38 3h38 s VAL 277 Ca 0.53 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3h38 s VAL 277 Cb -0.45 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3h38 s VAL 277 CO 0.58 0.25 1.73 -0.62 0.00 0.00 0.00 175.10 177.05 3h38 s ASP 278 N 1.27 5.77 0.35 3.32 3.68 -1.26 -4.86 116.67 124.94 3h38 s ASP 278 Ca -0.01 0.85 0.10 0.00 2.13 0.00 0.00 52.55 55.62 3h38 s ASP 278 Cb -0.16 -2.53 0.64 0.00 -1.45 0.00 0.00 42.92 39.42 3h38 s ASP 278 CO -0.09 -1.88 1.81 0.03 0.13 0.00 0.00 175.17 175.16 3h38 h ARG 279 N 13.10 0.16 -0.25 4.34 3.08 -1.97 -1.27 114.38 131.56 3h38 h ARG 279 Ca -0.30 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 59.72 3h38 h ARG 279 Cb 1.15 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 3h38 h ARG 279 CO 1.11 0.46 0.08 0.35 -1.07 0.00 0.00 179.97 180.90 3h38 h PHE 280 N 0.14 0.15 -0.12 3.04 3.57 -1.93 -0.78 116.94 121.00 3h38 h PHE 280 Ca 0.02 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.33 3h38 h PHE 280 Cb 0.63 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3h38 h PHE 280 CO 0.01 0.07 -0.74 1.88 -2.23 0.00 0.00 178.31 177.29 3h38 h TYR 281 N 0.20 0.82 -0.31 0.41 0.05 -1.91 -2.14 116.97 114.09 3h38 h TYR 281 Ca 0.11 -0.36 0.06 0.00 0.05 0.00 0.00 58.73 58.59 3h38 h TYR 281 Cb 0.08 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.64 3h38 h TYR 281 CO -0.13 1.15 -0.07 0.00 -1.05 0.00 0.00 178.16 178.06 3h38 h ALA 282 N 0.75 0.21 -0.02 3.88 0.00 -1.07 0.07 119.26 123.09 3h38 h ALA 282 Ca -0.04 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3h38 h ALA 282 Cb 1.34 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3h38 h ALA 282 CO 0.14 -0.46 -0.26 0.28 0.00 0.00 0.00 179.25 178.96 3h38 h VAL 283 N 0.01 1.20 0.00 0.00 2.07 -1.08 -2.40 116.25 116.04 3h38 h VAL 283 Ca 0.15 -0.92 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 3h38 h VAL 283 Cb 0.22 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3h38 h VAL 283 CO -0.31 0.27 -0.65 -0.07 0.02 0.00 0.00 177.57 176.83 3h38 h LEU 284 N 0.03 0.00 -1.48 2.57 3.38 -0.59 -1.81 115.31 117.41 3h38 h LEU 284 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3h38 h LEU 284 Cb 0.47 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3h38 h LEU 284 CO 0.03 0.65 0.57 0.45 0.09 0.00 0.00 178.44 180.23 3h38 h HIS 285 N 0.00 0.58 0.00 1.13 3.86 -0.48 0.49 115.15 120.74 3h38 h HIS 285 Ca -0.01 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3h38 h HIS 285 Cb 1.20 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.49 3h38 h HIS 285 CO 0.00 0.18 -0.25 0.28 0.86 0.00 0.00 177.93 179.00 3h38 h VAL 286 N 0.46 0.55 -0.96 2.45 2.07 -1.53 -3.31 116.25 115.98 3h38 h VAL 286 Ca 0.45 -1.47 0.26 0.00 0.82 0.00 0.00 66.70 66.75 3h38 h VAL 286 Cb 1.02 1.10 -0.13 0.00 -1.52 0.00 0.00 31.29 31.76 3h38 h VAL 286 CO -0.17 0.19 0.50 -0.26 0.02 0.00 0.00 177.57 177.85 3h38 h PHE 287 N -1.00 0.84 -0.63 1.57 0.04 -1.14 -2.45 116.94 114.17 3h38 h PHE 287 Ca -0.04 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h38 h PHE 287 Cb 0.50 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3h38 h PHE 287 CO 0.04 -0.05 0.00 1.28 -0.60 0.00 0.00 178.31 178.97 3h38 n LEU 288 N -5.00 3.50 -4.67 1.54 4.32 0.15 -4.58 117.00 112.25 3h38 n LEU 288 Ca 0.26 -1.72 -0.44 0.00 -0.02 0.00 0.00 56.01 54.09 3h38 n LEU 288 Cb 0.78 -0.42 -0.02 0.00 -1.62 0.00 0.00 43.42 42.14 3h38 n LEU 288 CO 0.13 0.86 0.93 -0.62 -1.22 0.00 0.00 177.39 177.47 3h38 n GLU 289 N 1.42 1.95 -1.24 3.23 1.02 -0.92 -2.95 120.64 123.15 3h38 n GLU 289 Ca 0.22 0.69 -0.06 0.00 -0.02 0.00 0.00 57.16 57.99 3h38 n GLU 289 Cb 0.56 -2.30 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 3h38 n GLU 289 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3h38 n PHE 290 N 1.36 -0.02 -2.67 -0.32 3.01 -1.26 -4.99 117.46 112.58 3h38 n PHE 290 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 3h38 n PHE 290 Cb 0.32 -1.42 -0.03 0.00 -0.01 0.00 0.00 39.48 38.34 3h38 n PHE 290 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3h38 s TYR 291 N -2.24 3.62 0.82 1.38 4.12 -1.15 -5.04 117.35 118.86 3h38 s TYR 291 Ca 0.00 1.64 -0.11 0.00 0.02 0.00 0.00 57.07 58.62 3h38 s TYR 291 Cb 0.00 -3.17 0.09 0.00 -1.52 0.00 0.00 41.96 37.36 3h38 s TYR 291 CO 0.00 -0.21 1.10 0.16 0.02 0.00 0.00 175.55 176.62 3h38 s ASP 292 N 1.02 4.04 0.31 2.29 -4.77 -1.26 -4.76 116.67 113.53 3h38 s ASP 292 Ca 0.53 1.80 -0.00 0.00 -3.30 0.00 0.00 52.55 51.58 3h38 s ASP 292 Cb -0.22 -2.46 0.50 0.00 -1.09 0.00 0.00 42.92 39.66 3h38 s ASP 292 CO 0.28 -2.33 1.95 0.44 0.70 0.00 0.00 175.17 176.21 3h38 h ASP 293 N -1.33 0.90 0.72 2.11 3.32 -1.98 0.22 116.42 120.37 3h38 h ASP 293 Ca -0.45 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.33 3h38 h ASP 293 Cb 1.25 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 3h38 h ASP 293 CO 0.51 0.62 -1.17 1.05 -1.72 0.00 0.00 179.24 178.53 3h38 h GLU 294 N 1.05 0.21 -0.54 3.56 9.09 -1.99 -1.10 114.58 124.86 3h38 h GLU 294 Ca 0.33 -0.35 -0.06 0.00 0.05 0.00 0.00 59.36 59.33 3h38 h GLU 294 Cb 0.02 0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 27.22 3h38 h GLU 294 CO -0.10 1.16 0.08 0.77 0.05 0.00 0.00 179.01 180.98 3h38 h SER 295 N 0.06 0.86 0.27 3.06 0.02 -1.77 -2.32 113.55 113.73 3h38 h SER 295 Ca -0.10 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3h38 h SER 295 Cb 1.91 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 64.20 3h38 h SER 295 CO 0.18 0.91 -0.24 -0.25 -1.14 0.00 0.00 176.83 176.29 3h38 h TRP 296 N 0.78 -0.63 -0.46 3.45 2.91 -0.57 -2.25 115.95 119.19 3h38 h TRP 296 Ca 0.16 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.21 3h38 h TRP 296 Cb 0.41 0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.28 3h38 h TRP 296 CO 0.03 -0.35 0.30 0.87 -1.03 0.00 0.00 178.44 178.26 3h38 h LYS 297 N -0.53 0.53 -0.41 2.65 1.57 -1.11 1.52 116.57 120.79 3h38 h LYS 297 Ca -0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3h38 h LYS 297 Cb 0.48 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3h38 h LYS 297 CO -0.03 0.35 0.19 0.93 -0.57 0.00 0.00 179.45 180.31 3h38 h GLU 298 N 0.54 0.59 0.07 3.15 5.08 -1.28 -0.97 114.58 121.77 3h38 h GLU 298 Ca 0.18 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 3h38 h GLU 298 Cb 0.05 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.22 3h38 h GLU 298 CO -0.04 0.53 -0.72 0.28 -1.00 0.00 0.00 179.01 178.05 3h38 h VAL 299 N 0.52 1.46 -1.00 3.13 2.07 -0.61 -2.14 116.25 119.68 3h38 h VAL 299 Ca 0.14 -2.31 0.21 0.00 0.82 0.00 0.00 66.70 65.56 3h38 h VAL 299 Cb 0.14 2.89 -0.11 0.00 -1.52 0.00 0.00 31.29 32.68 3h38 h VAL 299 CO -0.02 0.66 0.61 -0.09 0.02 0.00 0.00 177.57 178.76 3h38 h ARG 300 N -0.22 0.68 0.07 1.57 2.43 0.22 -2.38 114.38 116.75 3h38 h ARG 300 Ca -0.11 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.74 3h38 h ARG 300 Cb 1.49 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.87 3h38 h ARG 300 CO 0.14 0.45 -1.38 -0.44 -1.51 0.00 0.00 179.97 177.23 3h38 h ASP 301 N 0.70 0.23 0.18 -3.80 3.32 -1.18 -2.24 116.42 113.64 3h38 h ASP 301 Ca 0.60 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3h38 h ASP 301 Cb 1.01 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3h38 h ASP 301 CO -0.41 1.25 -0.09 -0.09 -1.72 0.00 0.00 179.24 178.19 3h38 h ARG 302 N 0.04 -0.23 -6.28 3.56 2.43 -0.87 -3.40 114.38 109.64 3h38 h ARG 302 Ca -0.17 0.02 -0.56 0.00 -0.81 0.00 0.00 59.98 58.45 3h38 h ARG 302 Cb 1.94 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 31.52 3h38 h ARG 302 CO 0.15 0.10 -0.24 0.71 -1.51 0.00 0.00 179.97 179.17 3h38 s TYR 303 N -4.72 3.46 -1.16 2.20 1.51 -1.07 -3.99 117.35 113.58 3h38 s TYR 303 Ca -0.15 0.63 -0.11 0.00 -1.01 0.00 0.00 57.07 56.43 3h38 s TYR 303 Cb 0.02 -2.07 0.23 0.00 -0.11 0.00 0.00 41.96 40.04 3h38 s TYR 303 CO 0.60 0.36 1.28 0.43 -1.11 0.00 0.00 175.55 177.11 3h38 n SER 304 N -0.14 5.41 -4.88 2.29 7.64 -1.26 -4.56 113.62 118.12 3h38 n SER 304 Ca -0.02 -3.02 -0.30 0.00 1.01 0.00 0.00 58.87 56.54 3h38 n SER 304 Cb 0.52 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.22 3h38 n SER 304 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h38 s LEU 305 N -0.06 3.97 0.55 -3.43 1.43 -0.84 -5.04 118.68 115.25 3h38 s LEU 305 Ca 0.36 0.99 -0.21 0.00 -1.03 0.00 0.00 54.13 54.24 3h38 s LEU 305 Cb -0.06 -3.83 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 3h38 s LEU 305 CO -0.04 -0.28 1.32 -0.13 0.23 0.00 0.00 176.35 177.46 3h38 s ARG 306 N -3.54 3.14 0.20 1.70 0.52 -1.26 -4.91 118.95 114.81 3h38 s ARG 306 Ca 0.49 2.14 -0.04 0.00 -0.52 0.00 0.00 55.73 57.80 3h38 s ARG 306 Cb -0.11 -2.21 0.15 0.00 0.52 0.00 0.00 34.95 33.30 3h38 s ARG 306 CO 0.28 -1.16 1.58 0.00 0.02 0.00 0.00 175.30 176.02 3h38 h ARG 307 N 1.40 0.70 0.00 3.54 3.08 -1.97 -3.08 114.38 118.05 3h38 h ARG 307 Ca -0.51 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.21 3h38 h ARG 307 Cb 1.30 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3h38 h ARG 307 CO 0.57 0.95 0.00 -1.71 -1.07 0.00 0.00 179.97 178.71 3h38 n ASN 308 N -4.06 0.61 -0.30 7.04 2.85 -1.26 -3.83 115.26 116.31 3h38 n ASN 308 Ca -0.01 0.66 0.02 0.00 -0.11 0.00 0.00 54.58 55.14 3h38 n ASN 308 Cb 0.50 -0.79 0.21 0.00 1.24 0.00 0.00 39.78 40.94 3h38 n ASN 308 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3h38 h LEU 309 N 0.00 0.96 -1.29 1.20 5.85 -1.92 -0.38 115.31 119.73 3h38 h LEU 309 Ca 0.00 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3h38 h LEU 309 Cb 0.32 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3h38 h LEU 309 CO 0.00 0.66 0.05 -0.29 -0.34 0.00 0.00 178.44 178.52 3h38 h ILE 310 N 1.12 1.18 -0.53 4.05 6.09 -1.82 -1.64 117.51 125.97 3h38 h ILE 310 Ca 0.36 -0.67 0.02 0.00 -1.37 0.00 0.00 64.86 63.20 3h38 h ILE 310 Cb 0.03 0.85 -0.03 0.00 0.47 0.00 0.00 36.82 38.14 3h38 h ILE 310 CO -0.11 0.24 0.32 0.78 -3.07 0.00 0.00 178.15 176.31 3h38 h ASN 311 N 0.52 0.52 -0.14 2.19 2.35 -1.31 -1.62 115.58 118.09 3h38 h ASN 311 Ca 0.12 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 3h38 h ASN 311 Cb 0.25 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.52 3h38 h ASN 311 CO 0.00 0.37 -0.77 -0.33 -1.65 0.00 0.00 177.43 175.05 3h38 h GLU 312 N 0.64 0.79 -0.25 0.81 5.08 -1.29 -1.07 114.58 119.28 3h38 h GLU 312 Ca 0.21 -0.64 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 3h38 h GLU 312 Cb 0.01 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3h38 h GLU 312 CO -0.09 1.25 0.14 0.82 -1.00 0.00 0.00 179.01 180.13 3h38 h ILE 313 N 0.54 1.01 -0.50 3.13 2.04 -1.31 -2.65 117.51 119.77 3h38 h ILE 313 Ca -0.05 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3h38 h ILE 313 Cb 1.40 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3h38 h ILE 313 CO 0.16 0.05 0.12 0.03 0.00 0.00 0.00 178.15 178.51 3h38 h ARG 314 N 0.29 0.76 -0.47 2.37 3.08 -1.12 0.14 114.38 119.43 3h38 h ARG 314 Ca 0.10 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3h38 h ARG 314 Cb 0.01 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3h38 h ARG 314 CO -0.06 0.69 0.23 1.25 -1.07 0.00 0.00 179.97 181.01 3h38 h HIS 315 N 0.73 0.43 -0.05 3.04 2.76 -0.98 -0.52 115.15 120.57 3h38 h HIS 315 Ca 0.16 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3h38 h HIS 315 Cb 0.27 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 3h38 h HIS 315 CO 0.01 0.21 -0.09 0.28 -1.30 0.00 0.00 177.93 177.05 3h38 h VAL 316 N 0.46 1.41 -0.06 5.26 2.07 -0.88 -0.12 116.25 124.40 3h38 h VAL 316 Ca 0.21 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 3h38 h VAL 316 Cb 0.12 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3h38 h VAL 316 CO -0.15 0.37 0.02 1.05 0.02 0.00 0.00 177.57 178.88 3h38 h GLU 317 N -0.34 0.08 0.17 1.57 4.11 -0.68 0.20 114.58 119.67 3h38 h GLU 317 Ca 0.00 -0.01 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 3h38 h GLU 317 Cb 0.65 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3h38 h GLU 317 CO 0.02 0.07 -1.69 0.87 0.07 0.00 0.00 179.01 178.35 3h38 h LYS 318 N 0.08 0.35 -0.01 1.06 1.57 -0.99 -3.35 116.57 115.28 3h38 h LYS 318 Ca 0.02 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 3h38 h LYS 318 Cb 0.03 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3h38 h LYS 318 CO -0.00 1.25 -0.29 -1.13 -0.57 0.00 0.00 179.45 178.71 3h38 n SER 319 N -3.55 0.89 0.12 0.86 3.41 -0.07 -4.38 113.62 110.91 3h38 n SER 319 Ca -0.22 -0.74 -0.14 0.00 -0.26 0.00 0.00 58.87 57.51 3h38 n SER 319 Cb 1.07 0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 65.08 3h38 n SER 319 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h38 h ALA 320 N 3.54 -0.24 -0.86 7.33 0.00 -0.75 -1.09 119.26 127.19 3h38 h ALA 320 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.95 3h38 h ALA 320 Cb 0.50 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3h38 h ALA 320 CO 0.00 -0.60 0.48 -1.35 0.00 0.00 0.00 179.25 177.78 3h38 h PRO 321 N -0.31 0.73 -0.23 0.00 0.11 -1.81 -0.34 132.00 130.14 3h38 h PRO 321 Ca -0.02 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 3h38 h PRO 321 Cb 0.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3h38 h PRO 321 CO 0.04 0.48 -0.07 0.00 -0.21 0.00 0.00 178.00 178.25 3h38 h ALA 322 N 1.51 1.47 -0.25 -0.75 0.00 -1.76 -2.99 119.26 116.48 3h38 h ALA 322 Ca 0.44 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3h38 h ALA 322 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h38 h ALA 322 CO -0.29 0.38 -0.44 1.25 0.00 0.00 0.00 179.25 180.14 3h38 h LEU 323 N 0.34 0.82 -0.51 0.00 6.46 0.24 -2.24 115.31 120.42 3h38 h LEU 323 Ca 0.07 -0.53 0.03 0.00 -0.12 0.00 0.00 57.88 57.33 3h38 h LEU 323 Cb 0.34 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 3h38 h LEU 323 CO 0.02 1.20 0.30 -0.07 -0.62 0.00 0.00 178.44 179.26 3h38 h LEU 324 N 0.48 0.47 -0.79 2.25 -0.00 -1.24 -1.86 115.31 114.61 3h38 h LEU 324 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3h38 h LEU 324 Cb 1.04 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.57 3h38 h LEU 324 CO 0.10 0.33 0.50 -0.33 -0.00 0.00 0.00 178.44 179.04 3h38 h GLU 325 N 0.59 1.06 -0.12 1.13 5.08 -1.38 -1.42 114.58 119.52 3h38 h GLU 325 Ca 0.21 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3h38 h GLU 325 Cb 0.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3h38 h GLU 325 CO -0.10 0.73 -0.20 0.52 -1.00 0.00 0.00 179.01 178.95 3h38 h MET 326 N 1.08 0.21 0.00 2.33 2.86 -0.92 -2.31 114.93 118.18 3h38 h MET 326 Ca 0.29 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3h38 h MET 326 Cb -0.08 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3h38 h MET 326 CO -0.06 0.41 -0.17 -0.07 1.06 0.00 0.00 176.91 178.08 3h38 h LEU 327 N 0.19 0.00 -0.41 1.22 3.38 -0.81 -2.59 115.31 116.29 3h38 h LEU 327 Ca 0.03 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3h38 h LEU 327 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3h38 h LEU 327 CO 0.03 0.01 -0.25 0.28 0.09 0.00 0.00 178.44 178.60 3h38 h SER 328 N 0.00 0.92 -0.61 -0.43 0.02 -0.70 -3.25 113.55 109.51 3h38 h SER 328 Ca 0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3h38 h SER 328 Cb 0.94 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3h38 h SER 328 CO 0.00 1.14 0.00 -0.62 -1.14 0.00 0.00 176.83 176.21 3h38 n GLU 329 N -4.17 4.34 -3.72 3.45 1.02 -1.12 -4.91 120.64 115.53 3h38 n GLU 329 Ca -0.01 -2.99 -0.28 0.00 -0.02 0.00 0.00 57.16 53.85 3h38 n GLU 329 Cb 0.46 -2.09 0.01 0.00 -0.02 0.00 0.00 31.44 29.79 3h38 n GLU 329 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3h38 n ARG 330 N 0.86 -4.25 -1.15 3.49 5.12 -1.17 -4.83 116.66 114.73 3h38 n ARG 330 Ca 0.27 0.53 -0.32 0.00 -1.93 0.00 0.00 57.85 56.39 3h38 n ARG 330 Cb 1.05 -5.32 0.12 0.00 -1.16 0.00 0.00 32.46 27.15 3h38 n ARG 330 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h38 s VAL 331 N -3.15 2.43 0.64 1.55 1.01 -0.98 -4.95 120.40 116.94 3h38 s VAL 331 Ca 0.57 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.56 3h38 s VAL 331 Cb -0.29 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3h38 s VAL 331 CO 0.70 -0.15 1.14 -2.84 0.00 0.00 0.00 175.10 173.94 3h38 s PRO 332 N -4.35 2.81 0.36 2.72 0.02 -1.26 -4.92 135.00 130.38 3h38 s PRO 332 Ca 0.69 1.52 0.12 0.00 0.02 0.00 0.00 61.00 63.35 3h38 s PRO 332 Cb -0.24 -1.94 0.91 0.00 0.02 0.00 0.00 34.50 33.24 3h38 s PRO 332 CO 0.51 -1.26 1.82 0.00 -0.33 0.00 0.00 177.00 177.74 3h38 h ALA 333 N 0.26 1.95 -0.26 -1.55 0.00 -1.92 -1.26 119.26 116.47 3h38 h ALA 333 Ca -0.48 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.55 3h38 h ALA 333 Cb 1.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3h38 h ALA 333 CO 0.54 -0.27 0.33 0.66 0.00 0.00 0.00 179.25 180.51 3h38 h SER 334 N 0.59 0.00 1.47 0.00 4.64 -1.90 -2.03 113.55 116.32 3h38 h SER 334 Ca 0.52 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.79 3h38 h SER 334 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3h38 h SER 334 CO -0.27 0.00 -0.55 -0.26 -0.87 0.00 0.00 176.83 174.88 3h38 h PHE 335 N 0.00 0.00 -0.24 4.77 -1.00 -1.58 -3.20 116.94 115.68 3h38 h PHE 335 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 3h38 h PHE 335 Cb 0.77 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.33 3h38 h PHE 335 CO 0.00 0.22 0.00 1.33 -1.61 0.00 0.00 178.31 178.25 3h38 n VAL 336 N -3.01 0.29 0.21 -0.55 0.24 -0.78 -4.45 118.33 110.27 3h38 n VAL 336 Ca 0.01 -0.65 -0.15 0.00 -2.04 0.00 0.00 64.34 61.51 3h38 n VAL 336 Cb 0.63 1.21 -0.07 0.00 -1.47 0.00 0.00 33.84 34.14 3h38 n VAL 336 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3h38 h TYR 337 N 4.60 -0.68 0.00 6.34 3.20 -1.51 -2.85 116.97 126.06 3h38 h TYR 337 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3h38 h TYR 337 Cb 1.00 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.52 3h38 h TYR 337 CO 0.15 -0.38 0.00 -1.35 -1.64 0.00 0.00 178.16 174.93 3h38 h PRO 338 N -0.59 0.00 0.03 1.82 0.11 -1.79 -0.41 132.00 131.16 3h38 h PRO 338 Ca -0.02 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.84 3h38 h PRO 338 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 3h38 h PRO 338 CO -0.01 0.00 -1.26 -0.07 -0.21 0.00 0.00 178.00 176.45 3h38 h LEU 339 N 0.00 0.09 -2.86 2.35 3.38 -1.80 -3.36 115.31 113.11 3h38 h LEU 339 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3h38 h LEU 339 Cb 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3h38 h LEU 339 CO 0.00 1.09 0.00 1.33 0.09 0.00 0.00 178.44 180.95 3h38 n VAL 340 N -3.31 0.94 -0.29 1.22 0.24 -0.66 -4.94 118.33 111.52 3h38 n VAL 340 Ca -0.07 -0.97 -0.08 0.00 -2.04 0.00 0.00 64.34 61.19 3h38 n VAL 340 Cb 0.99 0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 3h38 n VAL 340 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3h38 n LYS 341 N -0.33 -0.31 -3.19 7.34 4.81 -0.25 -3.17 118.16 123.05 3h38 n LYS 341 Ca 0.02 1.30 -0.21 0.00 -0.87 0.00 0.00 58.31 58.55 3h38 n LYS 341 Cb 0.26 -1.92 -0.05 0.00 0.02 0.00 0.00 35.03 33.34 3h38 n LYS 341 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h38 n GLY 342 N -1.17 3.37 3.81 3.14 0.00 -1.26 -5.09 105.19 107.98 3h38 n GLY 342 Ca 0.01 -1.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 3h38 n GLY 342 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h38 s VAL 343 N -1.97 4.07 0.59 1.61 -7.23 -1.19 -5.08 120.40 111.20 3h38 s VAL 343 Ca 0.38 -1.47 -0.20 0.00 -1.81 0.00 0.00 61.98 58.89 3h38 s VAL 343 Cb 0.27 -3.27 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 3h38 s VAL 343 CO -0.09 -0.31 1.27 -0.94 -0.31 0.00 0.00 175.10 174.72 3h38 s SER 344 N -3.86 5.09 0.38 4.85 1.04 -1.26 -4.89 113.70 115.05 3h38 s SER 344 Ca 0.35 2.56 0.16 0.00 0.48 0.00 0.00 55.95 59.50 3h38 s SER 344 Cb -0.07 -2.62 1.05 0.00 0.10 0.00 0.00 66.02 64.49 3h38 s SER 344 CO 0.25 -1.67 1.75 0.78 0.98 0.00 0.00 173.24 175.33 3h38 h ASN 345 N 1.02 0.50 -0.59 7.02 -0.26 -1.94 -1.60 115.58 119.73 3h38 h ASN 345 Ca -0.51 0.10 -0.07 0.00 -0.56 0.00 0.00 56.30 55.26 3h38 h ASN 345 Cb 1.31 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.57 3h38 h ASN 345 CO 0.55 0.08 0.09 -0.33 -1.06 0.00 0.00 177.43 176.76 3h38 h GLU 346 N 0.43 0.98 -0.45 0.81 3.07 -1.92 -1.47 114.58 116.04 3h38 h GLU 346 Ca 0.62 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 3h38 h GLU 346 Cb 1.47 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.25 3h38 h GLU 346 CO -0.35 0.93 0.23 1.15 -1.40 0.00 0.00 179.01 179.57 3h38 h THR 347 N 0.88 1.15 0.46 1.13 2.02 -1.67 -0.76 112.91 116.11 3h38 h THR 347 Ca 0.18 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3h38 h THR 347 Cb 0.44 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3h38 h THR 347 CO 0.01 0.16 -0.22 0.40 0.37 0.00 0.00 175.52 176.25 3h38 h ILE 348 N 0.62 0.50 -0.79 3.11 2.04 -0.68 0.43 117.51 122.74 3h38 h ILE 348 Ca 0.16 -0.35 0.19 0.00 1.00 0.00 0.00 64.86 65.86 3h38 h ILE 348 Cb 0.04 0.65 -0.13 0.00 -0.74 0.00 0.00 36.82 36.64 3h38 h ILE 348 CO -0.02 0.06 0.08 0.00 0.00 0.00 0.00 178.15 178.26 3h38 h HIS 350 N 0.14 0.85 -0.60 0.00 -0.00 -0.72 0.55 115.15 115.38 3h38 h HIS 350 Ca 0.45 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.83 3h38 h HIS 350 Cb 0.82 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.93 3h38 h HIS 350 CO -0.37 0.45 0.30 0.74 -0.00 0.00 0.00 177.93 179.06 3h38 h PHE 351 N 0.86 0.84 0.00 5.26 0.05 0.16 -2.46 116.94 121.65 3h38 h PHE 351 Ca 0.31 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 62.07 3h38 h PHE 351 Cb 0.10 -0.26 -0.00 0.00 2.00 0.00 0.00 35.95 37.78 3h38 h PHE 351 CO -0.05 0.63 -0.02 -0.07 -0.18 0.00 0.00 178.31 178.62 3h38 h LEU 352 N 0.81 0.00 -1.85 1.54 3.38 0.20 -2.32 115.31 117.07 3h38 h LEU 352 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3h38 h LEU 352 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3h38 h LEU 352 CO -0.03 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.52 3h38 h ALA 353 N 1.98 1.00 -0.00 1.53 0.00 0.47 -2.42 119.26 121.82 3h38 h ALA 353 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h38 h ALA 353 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3h38 h ALA 353 CO 0.00 0.00 -0.56 0.66 0.00 0.00 0.00 179.25 179.36 3h38 n TYR 354 N -2.82 0.00 -4.32 0.00 4.02 -0.87 -4.17 117.16 108.99 3h38 n TYR 354 Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.71 3h38 n TYR 354 Cb 0.17 -0.16 -0.10 0.00 -0.02 0.00 0.00 39.34 39.23 3h38 n TYR 354 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 3h38 s LEU 355 N -2.87 2.47 0.34 7.72 -0.00 -0.91 -5.07 118.68 120.36 3h38 s LEU 355 Ca 0.13 -1.08 -0.04 0.00 -0.00 0.00 0.00 54.13 53.15 3h38 s LEU 355 Cb 0.18 -0.48 0.01 0.00 -0.00 0.00 0.00 46.19 45.89 3h38 s LEU 355 CO 0.69 -0.31 0.50 -0.94 -0.00 0.00 0.00 176.35 176.29 3h38 s SER 356 N -3.28 0.77 1.48 1.48 1.04 -1.26 -4.80 113.70 109.13 3h38 s SER 356 Ca 0.22 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3h38 s SER 356 Cb 0.02 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3h38 s SER 356 CO 0.06 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.57 3h38 n GLY 357 N -0.55 3.57 0.21 7.32 0.00 -1.26 -2.76 105.19 111.73 3h38 n GLY 357 Ca 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 3h38 n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h38 h GLU 358 N 0.00 0.76 -0.83 1.61 4.39 -1.99 -1.91 114.58 116.60 3h38 h GLU 358 Ca 0.00 -0.71 -0.04 0.00 0.34 0.00 0.00 59.36 58.95 3h38 h GLU 358 Cb 0.00 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 3h38 h GLU 358 CO 0.00 1.30 0.37 0.87 -1.16 0.00 0.00 179.01 180.39 3h38 h LYS 359 N 0.47 1.22 0.30 2.33 1.57 -1.85 -0.22 116.57 120.39 3h38 h LYS 359 Ca -0.09 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3h38 h LYS 359 Cb 1.55 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3h38 h LYS 359 CO 0.18 0.96 -0.14 1.49 -0.57 0.00 0.00 179.45 181.37 3h38 h GLU 360 N 1.20 -0.39 -0.70 3.15 4.81 -1.51 -2.00 114.58 119.14 3h38 h GLU 360 Ca 0.28 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.69 3h38 h GLU 360 Cb 0.16 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.52 3h38 h GLU 360 CO -0.03 -0.09 0.12 0.78 -0.73 0.00 0.00 179.01 179.06 3h38 h GLY 361 N -0.69 0.91 0.53 1.92 0.00 -1.21 0.39 103.07 104.91 3h38 h GLY 361 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3h38 h GLY 361 CO 0.07 -0.20 -0.19 -2.00 0.00 0.00 0.00 176.54 174.21 3h38 h LEU 362 N 0.22 -0.46 -0.95 3.11 6.46 -1.05 -3.07 115.31 119.57 3h38 h LEU 362 Ca 0.39 -0.10 0.27 0.00 -0.12 0.00 0.00 57.88 58.31 3h38 h LEU 362 Cb 0.66 0.12 -0.14 0.00 -0.73 0.00 0.00 40.66 40.56 3h38 h LEU 362 CO -0.52 -0.03 0.44 0.15 -0.62 0.00 0.00 178.44 177.86 3h38 h PHE 363 N -1.02 0.72 -0.54 1.25 3.57 -1.25 -0.41 116.94 119.25 3h38 h PHE 363 Ca -0.06 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3h38 h PHE 363 Cb 0.53 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3h38 h PHE 363 CO 0.02 -0.13 0.24 0.87 -2.23 0.00 0.00 178.31 177.09 3h38 h LYS 364 N 0.34 0.45 -0.09 1.11 1.57 -0.19 -0.99 116.57 118.78 3h38 h LYS 364 Ca 0.64 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 59.24 3h38 h LYS 364 Cb 1.33 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.55 3h38 h LYS 364 CO -0.59 0.30 -0.52 0.77 -0.57 0.00 0.00 179.45 178.84 3h38 h SER 365 N 0.47 0.61 -1.05 0.86 0.02 -1.09 -2.90 113.55 110.47 3h38 h SER 365 Ca 0.25 -0.66 0.27 0.00 -0.84 0.00 0.00 61.79 60.82 3h38 h SER 365 Cb 0.22 -0.18 -0.11 0.00 0.14 0.00 0.00 62.40 62.47 3h38 h SER 365 CO -0.21 1.17 0.66 1.88 -1.14 0.00 0.00 176.83 179.19 3h38 h TYR 366 N 0.09 0.76 -0.66 3.45 0.99 -0.89 0.66 116.97 121.36 3h38 h TYR 366 Ca -0.04 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 3h38 h TYR 366 Cb 1.17 -0.22 -0.03 0.00 1.00 0.00 0.00 36.73 38.66 3h38 h TYR 366 CO 0.12 0.04 0.16 1.25 -0.00 0.00 0.00 178.16 179.72 3h38 h LEU 367 N 0.42 1.01 -0.32 3.88 5.85 -1.17 -1.32 115.31 123.66 3h38 h LEU 367 Ca 0.63 -0.24 -0.19 0.00 0.84 0.00 0.00 57.88 58.92 3h38 h LEU 367 Cb 1.50 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3h38 h LEU 367 CO -0.36 0.99 -0.85 -0.07 -0.34 0.00 0.00 178.44 177.80 3h38 h LEU 368 N 0.99 0.21 -0.78 2.25 3.38 0.25 -1.23 115.31 120.38 3h38 h LEU 368 Ca 0.21 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3h38 h LEU 368 Cb 0.37 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3h38 h LEU 368 CO 0.00 0.96 0.36 0.50 0.09 0.00 0.00 178.44 180.36 3h38 h LYS 369 N 0.09 1.14 -0.59 1.13 3.64 0.08 -1.92 116.57 120.15 3h38 h LYS 369 Ca -0.04 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 3h38 h LYS 369 Cb 1.47 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3h38 h LYS 369 CO 0.13 0.89 -0.04 0.82 -2.27 0.00 0.00 179.45 178.98 3h38 h ILE 370 N 1.11 1.27 -0.80 2.00 2.04 -1.00 -3.30 117.51 118.83 3h38 h ILE 370 Ca 0.27 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 3h38 h ILE 370 Cb 0.14 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3h38 h ILE 370 CO -0.03 0.43 0.33 0.50 0.00 0.00 0.00 178.15 179.38 3h38 h LYS 371 N 0.95 1.20 -5.83 2.37 3.64 -0.68 -3.33 116.57 114.89 3h38 h LYS 371 Ca 0.16 -0.21 -0.51 0.00 -1.27 0.00 0.00 60.65 58.82 3h38 h LYS 371 Cb 0.61 -0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 32.08 3h38 h LYS 371 CO 0.04 0.96 -0.76 -0.80 -2.27 0.00 0.00 179.45 176.63 3h38 s ASN 372 N -6.34 2.84 -1.15 4.20 0.01 -0.77 -4.59 114.94 109.13 3h38 s ASN 372 Ca -0.12 -0.97 0.00 0.00 -0.71 0.00 0.00 52.86 51.05 3h38 s ASN 372 Cb 0.16 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.64 3h38 s ASN 372 CO 0.84 -0.08 0.00 0.41 -1.51 0.00 0.00 177.10 176.76 3h38 n THR 373 N -0.22 0.00 -2.07 1.60 -1.04 -1.26 -4.43 114.28 106.86 3h38 n THR 373 Ca -0.09 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.87 3h38 n THR 373 Cb 0.59 -1.35 0.03 0.00 -1.82 0.00 0.00 70.33 67.78 3h38 n THR 373 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3h38 n LYS 374 N -1.79 0.33 -1.01 -2.82 2.85 -1.24 -4.79 118.16 109.69 3h38 n LYS 374 Ca -0.11 -0.49 0.00 0.00 -1.05 0.00 0.00 58.31 56.66 3h38 n LYS 374 Cb 0.47 -0.15 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 3h38 n LYS 374 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3h38 n LEU 375 N 0.00 -1.47 -4.76 -5.58 -0.00 -1.26 -4.96 117.00 98.97 3h38 n LEU 375 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.65 3h38 n LEU 375 Cb 0.11 -0.74 0.02 0.00 -0.00 0.00 0.00 43.42 42.82 3h38 n LEU 375 CO 0.08 0.00 1.05 -1.61 -0.00 0.00 0.00 177.39 176.91 3h38 s GLU 376 N -1.00 3.53 -0.16 1.96 8.01 -1.26 -4.94 118.70 124.83 3h38 s GLU 376 Ca 0.00 2.39 -0.13 0.00 0.01 0.00 0.00 54.97 57.24 3h38 s GLU 376 Cb 0.00 -2.55 -0.06 0.00 -4.31 0.00 0.00 34.13 27.22 3h38 s GLU 376 CO 0.00 -0.93 -0.20 0.36 0.01 0.00 0.00 175.26 174.50 3h38 n LYS 377 N -0.42 0.49 -0.05 1.61 0.00 -1.26 -4.86 118.16 113.66 3h38 n LYS 377 Ca 0.06 0.44 -0.08 0.00 -0.00 0.00 0.00 58.31 58.73 3h38 n LYS 377 Cb 0.42 -1.62 -0.04 0.00 -0.00 0.00 0.00 35.03 33.80 3h38 n LYS 377 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 3h38 n ILE 378 N -4.54 0.54 -1.67 0.58 -5.35 -1.26 -5.00 119.36 102.65 3h38 n ILE 378 Ca -0.13 -0.18 -0.43 0.00 -0.27 0.00 0.00 62.75 61.74 3h38 n ILE 378 Cb 0.39 -1.16 -0.03 0.00 -1.74 0.00 0.00 39.64 37.11 3h38 n ILE 378 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3h38 s ASN 379 N -5.31 5.66 0.53 7.28 0.02 -1.26 -4.87 114.94 117.00 3h38 s ASN 379 Ca -0.13 1.93 0.08 0.00 -1.02 0.00 0.00 52.86 53.72 3h38 s ASN 379 Cb 0.04 -2.52 0.06 0.00 0.02 0.00 0.00 41.25 38.86 3h38 s ASN 379 CO 0.20 -1.79 0.73 -0.83 0.02 0.00 0.00 177.10 175.43 3h38 s GLY 380 N 7.43 1.81 0.39 0.66 0.00 -1.26 -4.89 107.32 111.46 3h38 s GLY 380 Ca 0.96 -1.91 0.07 0.00 0.00 0.00 0.00 44.72 43.84 3h38 s GLY 380 CO 0.36 -1.55 2.02 0.83 0.00 0.00 0.00 173.10 174.76 3h38 h GLU 381 N 0.28 0.61 0.00 2.90 3.07 -1.96 -2.48 114.58 117.00 3h38 h GLU 381 Ca -0.34 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 3h38 h GLU 381 Cb 1.28 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3h38 h GLU 381 CO 0.43 0.40 -0.03 0.66 -1.40 0.00 0.00 179.01 179.07 3h38 n TYR 382 N -4.47 0.94 0.18 4.33 4.01 -1.26 -0.67 117.16 120.23 3h38 n TYR 382 Ca 0.06 0.27 0.06 0.00 -0.16 0.00 0.00 57.90 58.14 3h38 n TYR 382 Cb 0.12 -0.94 0.25 0.00 -0.31 0.00 0.00 39.34 38.46 3h38 n TYR 382 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3h38 h LEU 383 N 0.00 0.00 0.15 7.72 7.12 -1.78 -3.32 115.31 125.20 3h38 h LEU 383 Ca 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.74 3h38 h LEU 383 Cb 0.75 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.89 3h38 h LEU 383 CO 0.00 0.35 -1.31 0.40 -0.13 0.00 0.00 178.44 177.74 3h38 h ILE 384 N 0.00 1.18 0.00 4.05 2.04 -1.09 -3.30 117.51 120.39 3h38 h ILE 384 Ca -0.00 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.37 3h38 h ILE 384 Cb 1.04 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 40.01 3h38 h ILE 384 CO 0.05 0.74 0.08 0.54 0.00 0.00 0.00 178.15 179.56 3h38 n ARG 385 N -3.90 0.08 -2.16 2.37 3.00 0.16 -2.03 116.66 114.17 3h38 n ARG 385 Ca -0.21 0.55 -0.42 0.00 -0.01 0.00 0.00 57.85 57.76 3h38 n ARG 385 Cb 0.93 -1.84 0.00 0.00 0.00 0.00 0.00 32.46 31.55 3h38 n ARG 385 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3h38 n LYS 386 N -1.92 3.42 0.00 5.56 4.76 -1.24 -3.82 118.16 124.92 3h38 n LYS 386 Ca -0.01 -3.27 0.00 0.00 -2.87 0.00 0.00 58.31 52.16 3h38 n LYS 386 Cb 0.10 -3.02 0.00 0.00 -1.84 0.00 0.00 35.03 30.27 3h38 n LYS 386 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h38 n GLY 387 N 3.13 0.67 3.64 0.72 0.00 -1.12 -5.06 105.19 107.17 3h38 n GLY 387 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 3h38 n GLY 387 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h38 s ILE 388 N 0.00 0.00 0.27 -0.61 1.01 -0.86 -5.16 121.20 115.85 3h38 s ILE 388 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 3h38 s ILE 388 Cb 0.00 -1.00 0.06 0.00 0.01 0.00 0.00 42.46 41.53 3h38 s ILE 388 CO 0.00 0.00 0.37 1.07 0.00 0.00 0.00 174.94 176.38 3h38 n THR 389 N 4.17 0.00 -0.72 2.92 5.66 -1.26 -3.54 114.28 121.51 3h38 n THR 389 Ca -0.20 -0.34 -0.32 0.00 -3.05 0.00 0.00 64.05 60.14 3h38 n THR 389 Cb 0.59 -1.69 0.15 0.00 -1.55 0.00 0.00 70.33 67.83 3h38 n THR 389 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3h38 n SER 390 N -3.18 -2.20 0.00 1.09 3.41 -1.26 -4.59 113.62 106.88 3h38 n SER 390 Ca 0.05 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3h38 n SER 390 Cb 0.17 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 3h38 n SER 390 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h38 n GLY 391 N 1.75 -0.62 0.20 5.00 0.00 -1.26 -4.53 105.19 105.74 3h38 n GLY 391 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 3h38 n GLY 391 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3h38 h LYS 392 N 0.00 0.22 -0.23 1.61 3.64 -2.00 -3.22 116.57 116.59 3h38 h LYS 392 Ca 0.00 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 3h38 h LYS 392 Cb 0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3h38 h LYS 392 CO 0.00 0.59 -0.42 0.82 -2.27 0.00 0.00 179.45 178.17 3h38 h ILE 393 N 0.19 1.30 -0.10 2.00 5.03 -1.91 0.75 117.51 124.78 3h38 h ILE 393 Ca 0.02 -1.59 -0.03 0.00 -0.12 0.00 0.00 64.86 63.13 3h38 h ILE 393 Cb 0.78 1.58 -0.00 0.00 -3.03 0.00 0.00 36.82 36.15 3h38 h ILE 393 CO 0.06 0.50 -0.07 0.16 -0.68 0.00 0.00 178.15 178.12 3h38 h ILE 394 N 0.45 1.34 -0.43 -0.67 3.07 -1.81 -0.64 117.51 118.82 3h38 h ILE 394 Ca 0.04 -1.16 0.07 0.00 1.55 0.00 0.00 64.86 65.35 3h38 h ILE 394 Cb 0.92 1.90 -0.06 0.00 -0.27 0.00 0.00 36.82 39.32 3h38 h ILE 394 CO 0.08 0.33 0.08 1.23 -1.05 0.00 0.00 178.15 178.82 3h38 h GLY 395 N -0.17 0.51 -0.10 0.16 0.00 -1.53 0.40 103.07 102.34 3h38 h GLY 395 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.41 3h38 h GLY 395 CO 0.02 -0.05 -0.31 0.83 0.00 0.00 0.00 176.54 177.02 3h38 h GLU 396 N 0.21 -0.25 -0.25 4.80 5.08 -0.78 -1.35 114.58 122.04 3h38 h GLU 396 Ca 0.21 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 3h38 h GLU 396 Cb 0.27 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 3h38 h GLU 396 CO -0.29 -0.17 -0.12 0.28 -1.00 0.00 0.00 179.01 177.72 3h38 h VAL 397 N -0.26 0.62 -1.00 3.13 2.07 0.64 -1.39 116.25 120.06 3h38 h VAL 397 Ca 0.16 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.74 3h38 h VAL 397 Cb 0.53 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3h38 h VAL 397 CO -0.50 0.00 0.65 -0.07 0.02 0.00 0.00 177.57 177.67 3h38 h LEU 398 N -0.09 1.06 -0.40 2.57 -0.00 0.30 -0.80 115.31 117.95 3h38 h LEU 398 Ca 0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.83 3h38 h LEU 398 Cb 0.29 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 3h38 h LEU 398 CO -0.31 0.70 -0.78 -0.08 -0.00 0.00 0.00 178.44 177.97 3h38 h GLU 399 N 1.22 0.25 -0.69 1.13 4.81 -0.90 0.37 114.58 120.77 3h38 h GLU 399 Ca 0.42 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3h38 h GLU 399 Cb 0.10 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3h38 h GLU 399 CO -0.15 0.91 0.20 0.87 -0.73 0.00 0.00 179.01 180.11 3h38 h LYS 400 N 0.16 1.07 -0.05 1.92 6.56 -0.62 0.37 116.57 125.97 3h38 h LYS 400 Ca -0.03 -0.23 -0.02 0.00 -1.06 0.00 0.00 60.65 59.31 3h38 h LYS 400 Cb 1.37 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 3h38 h LYS 400 CO 0.12 0.92 -0.04 0.97 -2.06 0.00 0.00 179.45 179.37 3h38 h ILE 401 N 1.03 1.35 -0.67 1.86 2.10 -1.01 0.27 117.51 122.44 3h38 h ILE 401 Ca 0.22 -1.10 0.12 0.00 1.08 0.00 0.00 64.86 65.18 3h38 h ILE 401 Cb 0.31 1.97 -0.12 0.00 -1.09 0.00 0.00 36.82 37.89 3h38 h ILE 401 CO -0.00 0.30 -0.32 0.25 -1.08 0.00 0.00 178.15 177.30 3h38 h LEU 402 N -0.29 -1.13 -0.13 2.19 6.46 -0.80 0.90 115.31 122.51 3h38 h LEU 402 Ca 0.01 0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3h38 h LEU 402 Cb 0.50 0.58 -0.00 0.00 -0.73 0.00 0.00 40.66 41.01 3h38 h LEU 402 CO 0.01 -0.29 -0.01 -0.03 -0.62 0.00 0.00 178.44 177.50 3h38 h MET 403 N -0.12 0.23 -0.70 1.25 4.05 -0.11 0.38 114.93 119.91 3h38 h MET 403 Ca 0.27 -0.08 0.05 0.00 -0.28 0.00 0.00 59.70 59.66 3h38 h MET 403 Cb 0.56 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 3h38 h MET 403 CO -0.73 0.49 0.46 0.87 0.23 0.00 0.00 176.91 178.22 3h38 h LYS 404 N -0.05 0.74 -0.28 0.39 1.79 -0.87 -1.44 116.57 116.85 3h38 h LYS 404 Ca 0.04 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 3h38 h LYS 404 Cb 0.39 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3h38 h LYS 404 CO 0.01 0.49 -0.24 -0.22 -1.08 0.00 0.00 179.45 178.41 3h38 h LYS 405 N 0.77 0.53 -0.74 3.15 3.64 -0.18 -1.59 116.57 122.15 3h38 h LYS 405 Ca 0.29 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3h38 h LYS 405 Cb 0.19 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3h38 h LYS 405 CO -0.09 0.73 0.34 -0.07 -2.27 0.00 0.00 179.45 178.08 3h38 h LEU 406 N 0.47 0.99 -1.26 5.20 3.38 0.87 1.32 115.31 126.28 3h38 h LEU 406 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3h38 h LEU 406 Cb 0.67 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3h38 h LEU 406 CO 0.05 0.86 0.11 0.44 0.09 0.00 0.00 178.44 179.99 3h38 h ASP 407 N 1.05 0.57 -0.30 -0.43 3.45 -1.62 -3.46 116.42 115.67 3h38 h ASP 407 Ca 0.25 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3h38 h ASP 407 Cb 0.15 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3h38 h ASP 407 CO -0.03 0.56 0.00 0.61 -1.57 0.00 0.00 179.24 178.81 3h38 n GLY 408 N -1.02 1.12 2.72 2.75 0.00 0.45 -5.04 105.19 106.17 3h38 n GLY 408 Ca 0.03 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 3h38 n GLY 408 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h38 s ASP 409 N -0.05 1.50 0.55 1.61 1.11 -1.23 -4.84 116.67 115.32 3h38 s ASP 409 Ca 0.00 -0.08 0.33 0.00 0.18 0.00 0.00 52.55 52.98 3h38 s ASP 409 Cb 0.00 -0.31 1.36 0.00 1.07 0.00 0.00 42.92 45.04 3h38 s ASP 409 CO 0.00 -0.23 1.98 0.00 1.18 0.00 0.00 175.17 178.10 3h38 h THR 410 N 6.39 0.05 0.00 -1.27 1.03 -1.97 -3.45 112.91 113.69 3h38 h THR 410 Ca -0.16 -0.55 0.00 0.00 -0.01 0.00 0.00 66.41 65.69 3h38 h THR 410 Cb 1.12 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 3h38 h THR 410 CO 0.22 0.02 0.00 0.54 -0.01 0.00 0.00 175.52 176.29 3h38 n ARG 411 N -3.12 1.13 -3.20 0.00 5.12 -1.26 -5.14 116.66 110.20 3h38 n ARG 411 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 3h38 n ARG 411 Cb 0.31 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.62 3h38 n ARG 411 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3h38 n ASP 412 N 0.00 -1.12 -0.38 0.55 2.03 -1.26 -4.97 116.55 111.39 3h38 n ASP 412 Ca 0.00 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.79 3h38 n ASP 412 Cb 0.00 1.81 0.00 0.00 -0.72 0.00 0.00 41.12 42.21 3h38 n ASP 412 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3h38 n GLU 413 N -0.54 -1.54 -0.11 -0.67 4.71 -1.26 -3.75 120.64 117.47 3h38 n GLU 413 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 3h38 n GLU 413 Cb 0.41 -2.98 -0.12 0.00 -1.01 0.00 0.00 31.44 27.75 3h38 n GLU 413 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3h38 n GLU 414 N -0.38 0.68 -0.32 3.49 1.02 -1.26 -4.40 120.64 119.46 3h38 n GLU 414 Ca 0.00 0.10 0.01 0.00 -0.02 0.00 0.00 57.16 57.26 3h38 n GLU 414 Cb 0.00 -1.47 0.19 0.00 -0.02 0.00 0.00 31.44 30.15 3h38 n GLU 414 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3h38 h GLU 415 N 0.00 1.12 -0.00 3.49 4.81 -1.94 1.32 114.58 123.38 3h38 h GLU 415 Ca -0.52 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.65 3h38 h GLU 415 Cb 1.88 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 3h38 h GLU 415 CO -0.06 0.74 0.00 0.97 -0.73 0.00 0.00 179.01 179.93 3h38 h ILE 416 N 1.15 1.21 -0.78 2.32 -0.00 -1.89 0.25 117.51 119.77 3h38 h ILE 416 Ca 0.37 -0.62 -0.04 0.00 -0.00 0.00 0.00 64.86 64.57 3h38 h ILE 416 Cb 0.03 1.63 -0.04 0.00 -0.00 0.00 0.00 36.82 38.45 3h38 h ILE 416 CO -0.12 0.16 0.34 -0.07 -0.00 0.00 0.00 178.15 178.46 3h38 h LEU 417 N -0.26 1.05 -0.77 2.19 3.38 -1.64 -1.13 115.31 118.13 3h38 h LEU 417 Ca 0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3h38 h LEU 417 Cb 0.26 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3h38 h LEU 417 CO 0.00 0.92 0.37 -0.08 0.09 0.00 0.00 178.44 179.74 3h38 h GLU 418 N 1.13 1.10 0.00 1.13 4.81 0.20 -2.38 114.58 120.57 3h38 h GLU 418 Ca 0.27 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3h38 h GLU 418 Cb 0.17 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3h38 h GLU 418 CO -0.03 0.85 -0.74 0.39 -0.73 0.00 0.00 179.01 178.75 3h38 n GLU 419 N -4.39 0.22 0.14 1.92 -0.58 0.05 -2.97 120.64 115.04 3h38 n GLU 419 Ca 0.07 0.03 0.02 0.00 -0.42 0.00 0.00 57.16 56.87 3h38 n GLU 419 Cb 0.13 -1.61 0.06 0.00 -0.57 0.00 0.00 31.44 29.45 3h38 n GLU 419 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3h38 h VAL 420 N 0.00 0.90 -0.49 2.62 -1.51 -1.04 -1.39 116.25 115.34 3h38 h VAL 420 Ca 0.00 -2.19 -0.05 0.00 -1.23 0.00 0.00 66.70 63.22 3h38 h VAL 420 Cb 0.68 2.39 -0.02 0.00 -2.13 0.00 0.00 31.29 32.21 3h38 h VAL 420 CO 0.00 0.50 0.10 -0.07 -1.23 0.00 0.00 177.57 176.87 3h38 h LEU 421 N 0.00 0.76 -0.97 4.19 4.07 -1.46 -2.86 115.31 119.04 3h38 h LEU 421 Ca -0.01 -0.25 0.05 0.00 0.08 0.00 0.00 57.88 57.76 3h38 h LEU 421 Cb 1.35 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.82 3h38 h LEU 421 CO 0.07 0.81 0.62 0.00 -1.08 0.00 0.00 178.44 178.86 3h38 h ALA 422 N 0.97 1.32 0.00 1.53 0.00 -1.33 -1.99 119.26 119.76 3h38 h ALA 422 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h38 h ALA 422 Cb 0.37 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h38 h ALA 422 CO 0.01 0.44 -0.02 1.03 0.00 0.00 0.00 179.25 180.71 3h38 h SER 423 N 1.16 0.00 -0.03 0.00 0.87 -1.04 -3.51 113.55 111.00 3h38 h SER 423 Ca 0.40 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 3h38 h SER 423 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3h38 h SER 423 CO -0.15 0.02 0.00 0.18 -0.53 0.00 0.00 176.83 176.34