#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h59 s LYS 2 N 0.00 1.52 -0.10 0.03 2.20 -1.26 -5.03 119.74 117.10 2h59 s LYS 2 Ca 0.00 -0.87 0.19 0.00 -0.36 0.00 0.00 55.97 54.93 2h59 s LYS 2 Cb 0.00 -1.57 0.72 0.00 -1.51 0.00 0.00 37.83 35.47 2h59 s LYS 2 CO 0.00 0.41 1.63 -1.33 -0.36 0.00 0.00 175.35 175.71 2h59 n MET 3 N 2.14 3.68 -0.26 4.03 2.81 -1.26 -4.60 117.12 123.66 2h59 n MET 3 Ca -0.16 -2.89 -0.00 0.00 -1.81 0.00 0.00 57.70 52.83 2h59 n MET 3 Cb 0.53 -1.88 0.12 0.00 -0.71 0.00 0.00 33.22 31.28 2h59 n MET 3 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2h59 h LYS 4 N 4.15 0.73 -0.45 0.03 3.64 -1.98 0.15 116.57 122.84 2h59 h LYS 4 Ca 0.00 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2h59 h LYS 4 Cb 1.43 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 2h59 h LYS 4 CO 0.22 0.48 0.20 0.93 -2.27 0.00 0.00 179.45 179.01 2h59 h GLU 5 N 0.75 0.39 -0.18 1.90 5.08 -2.00 -0.11 114.58 120.42 2h59 h GLU 5 Ca 0.33 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2h59 h GLU 5 Cb 0.21 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2h59 h GLU 5 CO -0.19 0.26 0.05 0.35 -1.00 0.00 0.00 179.01 178.48 2h59 h PHE 6 N 0.40 0.29 -0.72 4.33 3.57 -1.54 -2.00 116.94 121.26 2h59 h PHE 6 Ca 0.20 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2h59 h PHE 6 Cb 0.15 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2h59 h PHE 6 CO -0.12 0.39 0.35 -0.07 -2.23 0.00 0.00 178.31 176.63 2h59 h LEU 7 N 0.10 0.92 -0.44 0.59 3.38 -0.48 -0.89 115.31 118.49 2h59 h LEU 7 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2h59 h LEU 7 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2h59 h LEU 7 CO -0.00 0.78 0.29 0.44 0.09 0.00 0.00 178.44 180.04 2h59 h ASP 8 N 1.02 0.50 -0.89 -0.43 3.32 -0.94 0.05 116.42 119.06 2h59 h ASP 8 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2h59 h ASP 8 Cb 0.10 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2h59 h ASP 8 CO -0.03 0.36 0.56 -0.07 -1.72 0.00 0.00 179.24 178.34 2h59 h LEU 9 N 0.60 1.05 -0.35 1.55 3.38 -0.76 -1.81 115.31 118.96 2h59 h LEU 9 Ca 0.16 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2h59 h LEU 9 Cb -0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2h59 h LEU 9 CO -0.04 0.79 -0.14 0.25 0.09 0.00 0.00 178.44 179.39 2h59 h LEU 10 N 1.21 0.73 -0.78 1.67 5.85 -0.64 -1.99 115.31 121.36 2h59 h LEU 10 Ca 0.32 -0.39 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 2h59 h LEU 10 Cb -0.09 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 2h59 h LEU 10 CO -0.06 0.95 -0.40 0.78 -0.34 0.00 0.00 178.44 179.37 2h59 h ASN 11 N 0.49 0.46 1.64 1.25 2.35 -0.95 -3.19 115.58 117.63 2h59 h ASN 11 Ca 0.08 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2h59 h ASN 11 Cb 0.67 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2h59 h ASN 11 CO 0.05 0.82 0.00 -0.33 -1.65 0.00 0.00 177.43 176.31 2h59 h GLU 12 N 0.36 0.00 -6.51 0.81 5.08 -1.17 -3.47 114.58 109.68 2h59 h GLU 12 Ca 0.03 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.87 2h59 h GLU 12 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2h59 h GLU 12 CO 0.07 0.00 0.40 0.45 -1.00 0.00 0.00 179.01 178.93 2h59 s SER 13 N -5.19 7.37 0.13 1.42 0.15 -0.76 -4.96 113.70 111.87 2h59 s SER 13 Ca 0.09 1.81 -0.15 0.00 0.70 0.00 0.00 55.95 58.40 2h59 s SER 13 Cb 0.09 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2h59 s SER 13 CO 0.62 -0.20 1.62 -0.09 1.20 0.00 0.00 173.24 176.38 2h59 h ARG 14 N 6.11 0.70 -2.90 5.44 2.43 -1.90 -3.44 114.38 120.83 2h59 h ARG 14 Ca -0.42 -0.19 -0.22 0.00 -0.81 0.00 0.00 59.98 58.34 2h59 h ARG 14 Cb 1.21 -0.08 -0.32 0.00 -0.42 0.00 0.00 29.97 30.36 2h59 h ARG 14 CO 0.74 0.74 -0.53 -1.17 -1.51 0.00 0.00 179.97 178.23 2h59 s LEU 15 N -9.55 -0.20 -0.08 3.80 0.20 -1.26 -4.99 118.68 106.59 2h59 s LEU 15 Ca -0.13 0.57 0.05 0.00 0.69 0.00 0.00 54.13 55.30 2h59 s LEU 15 Cb 0.10 0.67 -0.00 0.00 -0.43 0.00 0.00 46.19 46.54 2h59 s LEU 15 CO 0.78 -0.23 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.49 2h59 s THR 16 N 2.27 2.00 0.17 3.68 2.01 -1.26 -0.98 115.64 123.52 2h59 s THR 16 Ca 0.00 -1.00 0.09 0.00 0.31 0.00 0.00 61.69 61.09 2h59 s THR 16 Cb -0.12 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2h59 s THR 16 CO -0.08 0.55 -0.19 0.68 -0.69 0.00 0.00 174.62 174.88 2h59 s VAL 17 N 0.17 1.92 0.05 3.82 -7.23 -0.52 -0.38 120.40 118.23 2h59 s VAL 17 Ca -0.13 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.20 2h59 s VAL 17 Cb -0.16 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 2h59 s VAL 17 CO 0.07 -0.27 -0.26 0.42 -0.31 0.00 0.00 175.10 174.74 2h59 s THR 18 N -1.95 2.12 -0.13 5.32 -4.23 -0.86 -1.12 115.64 114.78 2h59 s THR 18 Ca 0.16 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2h59 s THR 18 Cb -0.06 -1.82 0.02 0.00 1.34 0.00 0.00 72.50 71.98 2h59 s THR 18 CO 0.07 0.34 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.13 2h59 s LEU 19 N -1.30 1.60 0.09 4.79 2.96 0.16 0.07 118.68 127.06 2h59 s LEU 19 Ca 0.12 -0.44 0.10 0.00 -0.22 0.00 0.00 54.13 53.69 2h59 s LEU 19 Cb -0.10 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 2h59 s LEU 19 CO 0.02 -0.05 -0.26 0.42 -1.32 0.00 0.00 176.35 175.16 2h59 s THR 20 N 1.41 2.16 0.07 3.68 -4.23 0.07 -1.12 115.64 117.67 2h59 s THR 20 Ca 0.02 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2h59 s THR 20 Cb -0.13 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 71.82 2h59 s THR 20 CO -0.08 0.21 0.01 0.61 -0.54 0.00 0.00 174.62 174.83 2h59 n GLY 21 N 1.33 4.02 0.28 3.99 0.00 -0.65 -1.44 105.19 112.72 2h59 n GLY 21 Ca -0.18 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 43.92 2h59 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h59 h ALA 22 N 1.08 1.84 -0.11 4.61 0.00 -1.79 -1.93 119.26 122.96 2h59 h ALA 22 Ca -0.05 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2h59 h ALA 22 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2h59 h ALA 22 CO 0.09 -0.03 0.08 0.78 0.00 0.00 0.00 179.25 180.17 2h59 h GLY 23 N 0.00 0.00 2.00 0.00 0.00 -1.22 -0.98 103.07 102.86 2h59 h GLY 23 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2h59 h GLY 23 CO -0.00 0.00 0.00 1.19 0.00 0.00 0.00 176.54 177.73 2h59 h ILE 24 N 0.00 0.00 -0.01 2.60 2.10 -1.47 -3.11 117.51 117.63 2h59 h ILE 24 Ca 0.05 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.65 2h59 h ILE 24 Cb 0.22 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 2h59 h ILE 24 CO -0.00 0.00 -0.38 -1.20 -1.08 0.00 0.00 178.15 175.49 2h59 n SER 25 N -3.01 1.55 -0.35 2.19 7.64 -0.40 -4.44 113.62 116.80 2h59 n SER 25 Ca -0.00 -1.27 0.04 0.00 1.01 0.00 0.00 58.87 58.65 2h59 n SER 25 Cb 0.23 0.52 0.21 0.00 -1.01 0.00 0.00 64.21 64.16 2h59 n SER 25 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2h59 h THR 26 N 1.63 1.03 0.00 0.44 1.35 -1.42 -0.52 112.91 115.43 2h59 h THR 26 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2h59 h THR 26 Cb 0.53 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 2h59 h THR 26 CO 0.00 0.20 0.00 -0.65 -0.25 0.00 0.00 175.52 174.82 2h59 h PRO 27 N 1.08 0.00 -0.04 4.72 0.11 -1.78 -0.00 132.00 136.09 2h59 h PRO 27 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2h59 h PRO 27 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2h59 h PRO 27 CO -0.19 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.03 2h59 n SER 28 N -2.50 1.03 0.00 -2.05 7.64 -0.21 -4.93 113.62 112.61 2h59 n SER 28 Ca -0.01 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.47 2h59 n SER 28 Cb 0.12 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2h59 n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h59 n GLY 29 N 1.09 0.75 3.61 0.23 0.00 -0.01 -4.36 105.19 106.50 2h59 n GLY 29 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2h59 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h59 s ILE 30 N -2.29 5.08 0.69 -0.61 1.01 -1.15 -5.01 121.20 118.91 2h59 s ILE 30 Ca 0.00 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.33 2h59 s ILE 30 Cb 0.00 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.67 2h59 s ILE 30 CO 0.00 0.08 1.23 -2.16 0.00 0.00 0.00 174.94 174.09 2h59 s PRO 31 N 2.29 2.38 0.32 2.79 0.04 -1.26 -3.35 135.00 138.21 2h59 s PRO 31 Ca 0.21 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 2h59 s PRO 31 Cb -0.16 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.60 2h59 s PRO 31 CO 0.09 -1.67 0.44 -0.40 0.04 0.00 0.00 177.00 175.50 2h59 n ASP 32 N -2.34 0.31 -0.07 6.66 3.85 -1.26 -4.83 116.55 118.87 2h59 n ASP 32 Ca 0.14 -1.32 -0.22 0.00 -0.71 0.00 0.00 54.79 52.68 2h59 n ASP 32 Cb 0.50 -0.31 -0.12 0.00 -1.35 0.00 0.00 41.12 39.83 2h59 n ASP 32 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2h59 n PHE 33 N -2.27 0.76 0.01 2.11 3.01 -1.26 0.23 117.46 120.05 2h59 n PHE 33 Ca 0.06 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.73 2h59 n PHE 33 Cb 0.22 -1.09 0.00 0.00 -0.01 0.00 0.00 39.48 38.60 2h59 n PHE 33 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2h59 n ARG 34 N -3.72 -0.60 -1.10 -1.08 1.74 -1.26 -1.28 116.66 109.37 2h59 n ARG 34 Ca -0.38 -0.61 -0.27 0.00 -0.77 0.00 0.00 57.85 55.82 2h59 n ARG 34 Cb 0.94 -1.01 0.22 0.00 -1.02 0.00 0.00 32.46 31.59 2h59 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2h59 n GLY 35 N -0.03 -2.51 0.28 -0.13 0.00 -1.26 -4.82 105.19 96.73 2h59 n GLY 35 Ca 0.00 -1.53 0.06 0.00 0.00 0.00 0.00 46.02 44.56 2h59 n GLY 35 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2h59 h PRO 36 N 0.00 0.11 -0.76 1.61 0.11 -1.98 -0.63 132.00 130.46 2h59 h PRO 36 Ca -0.38 -0.01 -0.46 0.00 0.11 0.00 0.00 66.00 65.26 2h59 h PRO 36 Cb 1.13 -0.02 -0.26 0.00 0.11 0.00 0.00 31.00 31.96 2h59 h PRO 36 CO 0.25 0.07 0.28 0.09 -0.21 0.00 0.00 178.00 178.48 2h59 n ASN 37 N -5.34 4.57 -4.82 -2.05 4.13 -1.26 -5.00 115.26 105.49 2h59 n ASN 37 Ca 0.15 -3.74 -0.32 0.00 1.68 0.00 0.00 54.58 52.35 2h59 n ASN 37 Cb 0.51 -0.74 0.01 0.00 -1.54 0.00 0.00 39.78 38.01 2h59 n ASN 37 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2h59 s GLY 38 N -2.16 1.98 0.34 7.41 0.00 -0.25 -4.68 107.32 109.96 2h59 s GLY 38 Ca 0.54 0.25 0.13 0.00 0.00 0.00 0.00 44.72 45.64 2h59 s GLY 38 CO 0.03 0.55 1.71 -2.22 0.00 0.00 0.00 173.10 173.17 2h59 h ILE 39 N 0.21 0.45 0.00 0.90 2.04 -0.14 -1.98 117.51 118.99 2h59 h ILE 39 Ca -0.46 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2h59 h ILE 39 Cb 1.21 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2h59 h ILE 39 CO 0.58 0.09 0.00 -1.22 0.00 0.00 0.00 178.15 177.60 2h59 n TYR 40 N -4.89 0.00 0.11 1.37 0.53 -0.40 -0.97 117.16 112.91 2h59 n TYR 40 Ca 0.29 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 57.15 2h59 n TYR 40 Cb 0.86 -0.16 -0.02 0.00 -1.03 0.00 0.00 39.34 38.99 2h59 n TYR 40 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 2h59 h LYS 41 N 0.00 0.00 0.00 -0.72 1.79 -1.57 -3.39 116.57 112.68 2h59 h LYS 41 Ca 0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 2h59 h LYS 41 Cb 0.11 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 2h59 h LYS 41 CO 0.00 0.69 -2.18 1.17 -1.08 0.00 0.00 179.45 178.05 2h59 n LYS 42 N -3.29 0.48 -4.12 3.15 4.81 -0.38 -5.02 118.16 113.79 2h59 n LYS 42 Ca 0.01 0.16 -0.25 0.00 -0.87 0.00 0.00 58.31 57.36 2h59 n LYS 42 Cb 0.80 -1.34 -0.06 0.00 0.02 0.00 0.00 35.03 34.46 2h59 n LYS 42 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2h59 s TYR 43 N -2.40 3.07 0.52 5.64 1.51 -0.14 -5.13 117.35 120.42 2h59 s TYR 43 Ca -0.29 -0.08 -0.03 0.00 -1.01 0.00 0.00 57.07 55.67 2h59 s TYR 43 Cb 0.09 -1.44 -0.00 0.00 -0.11 0.00 0.00 41.96 40.50 2h59 s TYR 43 CO 0.42 0.53 0.79 -1.54 -1.11 0.00 0.00 175.55 174.64 2h59 s SER 44 N -3.35 5.77 0.66 2.29 1.04 -1.26 -4.32 113.70 114.53 2h59 s SER 44 Ca 0.31 0.55 0.44 0.00 0.48 0.00 0.00 55.95 57.73 2h59 s SER 44 Cb -0.09 -1.69 2.37 0.00 0.10 0.00 0.00 66.02 66.71 2h59 s SER 44 CO 0.23 -0.86 2.35 -0.61 0.98 0.00 0.00 173.24 175.34 2h59 h GLN 45 N 0.11 0.00 0.00 4.02 4.15 -1.98 -2.48 115.11 118.94 2h59 h GLN 45 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2h59 h GLN 45 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2h59 h GLN 45 CO 0.59 0.00 0.00 -2.95 -1.93 0.00 0.00 178.83 174.54 2h59 h ASN 46 N 0.00 0.00 -0.14 -0.69 -0.00 -1.98 -2.42 115.58 110.36 2h59 h ASN 46 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 56.30 56.34 2h59 h ASN 46 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.34 2h59 h ASN 46 CO 0.00 0.00 0.12 -0.37 -0.00 0.00 0.00 177.43 177.18 2h59 h VAL 47 N 0.00 0.73 -0.55 6.14 -1.51 -1.84 -1.74 116.25 117.47 2h59 h VAL 47 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2h59 h VAL 47 Cb 0.24 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2h59 h VAL 47 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 2h59 n PHE 48 N -4.19 1.31 -2.86 5.19 0.99 -0.91 -4.79 117.46 112.20 2h59 n PHE 48 Ca 0.00 -0.64 -0.41 0.00 -0.00 0.00 0.00 57.45 56.41 2h59 n PHE 48 Cb 0.24 -0.24 -0.04 0.00 -1.00 0.00 0.00 39.48 38.43 2h59 n PHE 48 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2h59 s ASP 49 N -1.07 7.29 0.23 4.37 -0.00 -0.66 0.17 116.67 127.01 2h59 s ASP 49 Ca 0.47 1.55 -0.08 0.00 -0.00 0.00 0.00 52.55 54.49 2h59 s ASP 49 Cb 0.31 -2.52 0.22 0.00 -0.00 0.00 0.00 42.92 40.93 2h59 s ASP 49 CO 0.21 -0.10 1.90 -0.29 -0.00 0.00 0.00 175.17 176.89 2h59 h ILE 50 N 4.37 1.24 -0.65 0.77 6.09 -1.53 -1.22 117.51 126.59 2h59 h ILE 50 Ca -0.42 -0.46 -0.07 0.00 -1.37 0.00 0.00 64.86 62.54 2h59 h ILE 50 Cb 1.21 -0.08 -0.03 0.00 0.47 0.00 0.00 36.82 38.39 2h59 h ILE 50 CO 0.73 0.24 0.13 -2.24 -3.07 0.00 0.00 178.15 173.93 2h59 h ASP 51 N 1.23 0.99 -0.14 2.19 3.04 -1.93 -1.31 116.42 120.49 2h59 h ASP 51 Ca 0.33 -0.22 -0.10 0.00 -3.24 0.00 0.00 57.03 53.80 2h59 h ASP 51 Cb -0.12 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 37.90 2h59 h ASP 51 CO -0.07 0.97 -0.24 0.15 -2.04 0.00 0.00 179.24 178.02 2h59 h PHE 52 N 0.99 0.66 -0.01 4.15 3.57 -1.75 0.41 116.94 124.95 2h59 h PHE 52 Ca 0.20 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2h59 h PHE 52 Cb 0.39 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 2h59 h PHE 52 CO 0.03 0.77 0.01 0.35 -2.23 0.00 0.00 178.31 177.24 2h59 h PHE 53 N 0.51 0.02 -0.16 0.41 3.57 -0.72 0.14 116.94 120.72 2h59 h PHE 53 Ca 0.07 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 2h59 h PHE 53 Cb 0.69 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2h59 h PHE 53 CO 0.03 0.16 -0.42 1.88 -2.23 0.00 0.00 178.31 177.72 2h59 h TYR 54 N -0.12 0.44 -0.43 0.41 0.99 -0.95 -1.74 116.97 115.57 2h59 h TYR 54 Ca 0.01 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.56 2h59 h TYR 54 Cb 0.14 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 37.76 2h59 h TYR 54 CO -0.03 0.74 0.09 0.77 -0.00 0.00 0.00 178.16 179.73 2h59 h SER 55 N 0.31 0.67 -1.71 3.88 0.02 -0.10 -3.40 113.55 113.21 2h59 h SER 55 Ca 0.03 -0.25 -0.45 0.00 -0.84 0.00 0.00 61.79 60.28 2h59 h SER 55 Cb 0.87 -0.18 -0.36 0.00 0.14 0.00 0.00 62.40 62.87 2h59 h SER 55 CO 0.07 0.74 -1.08 1.41 -1.14 0.00 0.00 176.83 176.83 2h59 n HIS 56 N -4.51 -0.34 -0.04 3.45 8.25 0.49 -4.97 115.22 117.55 2h59 n HIS 56 Ca 0.00 -3.54 0.11 0.00 -0.26 0.00 0.00 57.72 54.04 2h59 n HIS 56 Cb 0.22 -0.11 0.52 0.00 1.12 0.00 0.00 29.99 31.74 2h59 n HIS 56 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2h59 h PRO 57 N 3.13 0.35 0.00 -0.41 0.13 -1.48 0.78 132.00 134.51 2h59 h PRO 57 Ca 0.07 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 2h59 h PRO 57 Cb 0.98 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 2h59 h PRO 57 CO 0.45 0.23 -0.08 1.05 -0.23 0.00 0.00 178.00 179.42 2h59 h GLU 58 N 0.37 0.00 -0.10 0.86 9.09 -1.87 -2.01 114.58 120.92 2h59 h GLU 58 Ca 0.24 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.58 2h59 h GLU 58 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 2h59 h GLU 58 CO -0.06 0.08 -0.21 0.93 0.05 0.00 0.00 179.01 179.80 2h59 h GLU 59 N 0.00 0.31 0.10 1.06 4.39 -1.17 -2.66 114.58 116.61 2h59 h GLU 59 Ca -0.00 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.50 2h59 h GLU 59 Cb 0.22 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2h59 h GLU 59 CO 0.01 0.81 -0.12 0.35 -1.16 0.00 0.00 179.01 178.90 2h59 h PHE 60 N -0.14 -0.32 0.00 4.33 3.57 -1.41 -2.72 116.94 120.25 2h59 h PHE 60 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2h59 h PHE 60 Cb 0.81 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 2h59 h PHE 60 CO 0.11 -0.19 -0.07 1.88 -2.23 0.00 0.00 178.31 177.81 2h59 h TYR 61 N -0.26 0.00 -0.35 0.41 0.05 -1.44 0.14 116.97 115.52 2h59 h TYR 61 Ca 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 2h59 h TYR 61 Cb 0.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 2h59 h TYR 61 CO -0.14 0.07 -0.03 -0.09 -1.05 0.00 0.00 178.16 176.92 2h59 h ARG 62 N 0.00 0.64 -0.31 4.88 2.43 -1.34 -2.97 114.38 117.71 2h59 h ARG 62 Ca -0.00 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 2h59 h ARG 62 Cb 0.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2h59 h ARG 62 CO 0.01 0.77 0.16 0.35 -1.51 0.00 0.00 179.97 179.75 2h59 h PHE 63 N 0.44 0.44 -1.01 2.20 3.57 -0.94 -3.10 116.94 118.54 2h59 h PHE 63 Ca 0.10 -0.02 0.24 0.00 3.53 0.00 0.00 57.97 61.82 2h59 h PHE 63 Cb 0.50 -0.14 -0.11 0.00 2.79 0.00 0.00 35.95 39.00 2h59 h PHE 63 CO 0.04 0.38 0.63 0.00 -2.23 0.00 0.00 178.31 177.13 2h59 h ALA 64 N 1.02 1.97 0.00 2.41 0.00 -0.63 0.16 119.26 124.19 2h59 h ALA 64 Ca 0.11 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2h59 h ALA 64 Cb 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2h59 h ALA 64 CO -0.02 -0.39 -0.17 0.87 0.00 0.00 0.00 179.25 179.55 2h59 h LYS 65 N 0.53 0.00 0.01 0.00 1.57 -1.44 0.62 116.57 117.85 2h59 h LYS 65 Ca 0.60 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 59.03 2h59 h LYS 65 Cb 1.28 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.53 2h59 h LYS 65 CO -0.37 0.17 -2.22 0.39 -0.57 0.00 0.00 179.45 176.84 2h59 n GLU 66 N -4.27 0.67 0.00 3.15 1.02 -0.16 -4.44 120.64 116.62 2h59 n GLU 66 Ca -0.02 0.09 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 2h59 n GLU 66 Cb 0.23 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 29.98 2h59 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h59 n GLY 67 N 1.78 -0.54 1.69 0.62 0.00 0.37 -4.70 105.19 104.41 2h59 n GLY 67 Ca -0.31 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2h59 n GLY 67 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2h59 n ILE 68 N -1.24 0.38 -0.29 -0.61 5.41 0.02 -4.87 119.36 118.15 2h59 n ILE 68 Ca 0.04 0.12 0.10 0.00 1.00 0.00 0.00 62.75 64.02 2h59 n ILE 68 Cb 0.28 -0.82 0.34 0.00 -0.71 0.00 0.00 39.64 38.73 2h59 n ILE 68 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2h59 h PHE 69 N 0.00 0.90 0.00 1.39 0.04 -1.27 -0.25 116.94 117.75 2h59 h PHE 69 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2h59 h PHE 69 Cb 0.00 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.87 2h59 h PHE 69 CO 0.00 0.35 0.09 -1.35 -0.60 0.00 0.00 178.31 176.80 2h59 h PRO 70 N 0.77 0.00 -0.03 1.51 0.11 -1.81 -2.18 132.00 130.38 2h59 h PRO 70 Ca 0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.57 2h59 h PRO 70 Cb 0.63 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 2h59 h PRO 70 CO -0.21 0.00 0.03 0.52 -0.21 0.00 0.00 178.00 178.13 2h59 h MET 71 N 0.00 0.00 0.00 1.05 2.86 -1.37 -1.97 114.93 115.50 2h59 h MET 71 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2h59 h MET 71 Cb 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2h59 h MET 71 CO 0.00 0.00 -0.18 -0.07 1.06 0.00 0.00 176.91 177.72 2h59 h LEU 72 N 0.00 0.00 0.00 1.22 -0.00 -1.57 -2.48 115.31 112.48 2h59 h LEU 72 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2h59 h LEU 72 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2h59 h LEU 72 CO -0.00 0.18 -0.47 0.00 -0.00 0.00 0.00 178.44 178.15 2h59 n GLN 73 N -3.74 0.10 -1.59 1.13 1.13 -0.74 -4.93 117.38 108.74 2h59 n GLN 73 Ca -0.02 0.03 -0.33 0.00 -1.94 0.00 0.00 57.00 54.75 2h59 n GLN 73 Cb 0.29 -1.57 0.07 0.00 0.11 0.00 0.00 30.24 29.14 2h59 n GLN 73 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2h59 s ALA 74 N -3.06 2.35 0.11 -1.58 0.00 -0.94 -5.07 121.76 113.57 2h59 s ALA 74 Ca 0.10 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.68 2h59 s ALA 74 Cb 0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2h59 s ALA 74 CO 0.68 -1.50 -0.18 0.15 0.00 0.00 0.00 175.76 174.92 2h59 s LYS 75 N -4.23 1.07 0.68 0.00 1.02 -1.26 -5.06 119.74 111.97 2h59 s LYS 75 Ca 0.67 -1.19 -0.17 0.00 0.02 0.00 0.00 55.97 55.30 2h59 s LYS 75 Cb -0.21 -1.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.92 2h59 s LYS 75 CO 0.45 0.25 0.86 -2.30 -0.92 0.00 0.00 175.35 173.70 2h59 n PRO 76 N 0.84 0.57 -3.99 -1.68 -0.02 -1.26 -4.65 135.00 124.80 2h59 n PRO 76 Ca -0.18 0.24 -0.26 0.00 -2.02 0.00 0.00 63.50 61.28 2h59 n PRO 76 Cb 0.55 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 2h59 n PRO 76 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2h59 n ASN 77 N -1.09 2.92 0.25 2.55 0.23 -1.26 -4.97 115.26 113.89 2h59 n ASN 77 Ca 0.13 -2.83 0.08 0.00 -0.53 0.00 0.00 54.58 51.43 2h59 n ASN 77 Cb 0.49 0.15 0.63 0.00 -2.08 0.00 0.00 39.78 38.97 2h59 n ASN 77 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2h59 h LEU 78 N 0.00 0.00 -0.58 -4.53 5.85 -1.94 -1.11 115.31 113.00 2h59 h LEU 78 Ca -0.34 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 2h59 h LEU 78 Cb 1.13 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2h59 h LEU 78 CO 0.56 0.10 0.03 0.00 -0.34 0.00 0.00 178.44 178.78 2h59 h ALA 79 N 1.90 0.78 -0.58 1.25 0.00 -1.89 0.15 119.26 120.88 2h59 h ALA 79 Ca -0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2h59 h ALA 79 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2h59 h ALA 79 CO 0.01 0.59 0.05 0.45 0.00 0.00 0.00 179.25 180.36 2h59 h HIS 80 N 0.90 1.06 -0.35 0.00 3.86 -1.55 -2.32 115.15 116.75 2h59 h HIS 80 Ca 0.17 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2h59 h HIS 80 Cb 0.52 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2h59 h HIS 80 CO 0.04 0.94 0.11 0.28 0.86 0.00 0.00 177.93 180.15 2h59 h VAL 81 N 0.88 1.21 -0.55 2.45 2.07 -1.19 -2.18 116.25 118.95 2h59 h VAL 81 Ca 0.17 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.09 2h59 h VAL 81 Cb 0.48 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 2h59 h VAL 81 CO 0.02 0.24 0.15 0.25 0.02 0.00 0.00 177.57 178.25 2h59 h LEU 82 N 0.42 0.08 -0.86 2.57 5.85 -0.52 -1.23 115.31 121.62 2h59 h LEU 82 Ca 0.11 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2h59 h LEU 82 Cb 0.26 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2h59 h LEU 82 CO -0.00 0.06 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.01 2h59 h LEU 83 N 0.30 0.75 -0.75 2.25 3.38 -1.19 0.12 115.31 120.16 2h59 h LEU 83 Ca 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2h59 h LEU 83 Cb 0.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2h59 h LEU 83 CO -0.33 0.86 0.39 0.00 0.09 0.00 0.00 178.44 179.45 2h59 h ALA 84 N 1.21 0.97 -0.09 1.53 0.00 -0.88 -1.92 119.26 120.08 2h59 h ALA 84 Ca 0.12 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2h59 h ALA 84 Cb 0.54 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2h59 h ALA 84 CO 0.03 0.50 -0.74 0.87 0.00 0.00 0.00 179.25 179.91 2h59 h LYS 85 N 1.05 0.48 -0.81 0.00 1.79 -0.77 -2.26 116.57 116.05 2h59 h LYS 85 Ca 0.26 -0.40 -0.04 0.00 -2.18 0.00 0.00 60.65 58.30 2h59 h LYS 85 Cb 0.07 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 2h59 h LYS 85 CO -0.04 1.03 0.35 -0.07 -1.08 0.00 0.00 179.45 179.64 2h59 h LEU 86 N 0.33 1.09 -0.45 2.94 3.38 -0.70 -1.78 115.31 120.12 2h59 h LEU 86 Ca -0.04 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2h59 h LEU 86 Cb 1.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2h59 h LEU 86 CO 0.13 0.95 -0.09 -0.08 0.09 0.00 0.00 178.44 179.44 2h59 h GLU 87 N 1.17 0.86 -0.86 1.13 4.81 -1.27 0.25 114.58 120.67 2h59 h GLU 87 Ca 0.27 -0.32 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 2h59 h GLU 87 Cb 0.18 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 2h59 h GLU 87 CO -0.03 0.96 0.56 1.49 -0.73 0.00 0.00 179.01 181.26 2h59 h GLU 88 N 0.70 0.85 -0.00 1.92 4.81 -1.20 -1.03 114.58 120.63 2h59 h GLU 88 Ca 0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2h59 h GLU 88 Cb 0.63 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2h59 h GLU 88 CO 0.04 0.56 -0.00 1.63 -0.73 0.00 0.00 179.01 180.51 2h59 n LYS 89 N -4.51 0.78 -1.64 1.92 5.02 -0.69 -4.89 118.16 114.14 2h59 n LYS 89 Ca 0.14 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.31 2h59 n LYS 89 Cb 0.28 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 2h59 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h59 n GLY 90 N 1.13 0.65 0.00 0.72 0.00 -0.39 -4.93 105.19 102.37 2h59 n GLY 90 Ca 0.20 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.76 2h59 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h59 n LEU 91 N -1.20 0.92 -4.04 0.99 4.77 0.87 -4.83 117.00 114.49 2h59 n LEU 91 Ca -0.10 -0.43 -0.15 0.00 -0.03 0.00 0.00 56.01 55.30 2h59 n LEU 91 Cb 0.42 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 2h59 n LEU 91 CO 0.14 0.23 -0.41 0.27 -1.33 0.00 0.00 177.39 176.29 2h59 s ILE 92 N -3.01 0.58 -0.00 -0.08 -4.36 -1.13 -4.62 121.20 108.58 2h59 s ILE 92 Ca 0.08 -0.79 -0.14 0.00 -0.26 0.00 0.00 60.65 59.54 2h59 s ILE 92 Cb 0.16 -0.58 -0.34 0.00 1.25 0.00 0.00 42.46 42.95 2h59 s ILE 92 CO 0.85 -0.17 0.86 -0.08 0.24 0.00 0.00 174.94 176.64 2h59 h GLU 93 N 5.05 0.48 -2.65 0.37 4.57 -1.03 -3.39 114.58 117.98 2h59 h GLU 93 Ca -0.34 -0.83 0.00 0.00 -1.18 0.00 0.00 59.36 57.02 2h59 h GLU 93 Cb 1.20 0.31 -0.14 0.00 -0.16 0.00 0.00 28.75 29.95 2h59 h GLU 93 CO 0.44 1.40 0.27 0.00 -1.18 0.00 0.00 179.01 179.94 2h59 s ALA 94 N -2.59 -1.68 -0.22 2.92 0.00 -1.25 -4.81 121.76 114.12 2h59 s ALA 94 Ca -0.12 0.76 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 2h59 s ALA 94 Cb 0.05 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 2h59 s ALA 94 CO 0.91 -0.68 0.02 0.08 0.00 0.00 0.00 175.76 176.09 2h59 s VAL 95 N -3.14 3.94 -0.25 0.00 1.01 -0.09 -2.03 120.40 119.84 2h59 s VAL 95 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2h59 s VAL 95 Cb -0.01 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2h59 s VAL 95 CO -0.08 0.39 0.16 -0.63 0.00 0.00 0.00 175.10 174.94 2h59 s ILE 96 N 1.36 5.25 0.04 2.22 1.01 0.11 -0.53 121.20 130.66 2h59 s ILE 96 Ca 0.05 0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.91 2h59 s ILE 96 Cb -0.15 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2h59 s ILE 96 CO 0.01 0.31 -0.19 0.28 0.00 0.00 0.00 174.94 175.35 2h59 s THR 97 N 1.33 1.57 -1.88 2.92 -1.32 0.11 -0.75 115.64 117.62 2h59 s THR 97 Ca 0.07 -1.17 0.25 0.00 -1.21 0.00 0.00 61.69 59.64 2h59 s THR 97 Cb -0.14 -1.37 0.21 0.00 -1.51 0.00 0.00 72.50 69.68 2h59 s THR 97 CO 0.07 0.16 1.45 0.00 -2.21 0.00 0.00 174.62 174.09 2h59 n GLN 98 N 1.84 0.99 -3.29 7.08 6.02 -0.52 -1.29 117.38 128.21 2h59 n GLN 98 Ca -0.17 -0.66 -0.36 0.00 -0.01 0.00 0.00 57.00 55.80 2h59 n GLN 98 Cb 0.54 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.25 2h59 n GLN 98 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2h59 s ASN 99 N -2.47 6.90 0.00 1.08 0.01 -1.26 -4.52 114.94 114.68 2h59 s ASN 99 Ca 0.24 1.17 0.25 0.00 -0.71 0.00 0.00 52.86 53.81 2h59 s ASN 99 Cb 0.19 -2.33 0.37 0.00 0.41 0.00 0.00 41.25 39.90 2h59 s ASN 99 CO 0.52 0.09 1.34 2.30 -1.51 0.00 0.00 177.10 179.85 2h59 n ILE 100 N 0.83 0.00 0.70 0.60 -5.35 -1.26 -4.63 119.36 110.25 2h59 n ILE 100 Ca -0.05 -0.31 0.08 0.00 -0.27 0.00 0.00 62.75 62.20 2h59 n ILE 100 Cb 0.52 1.05 0.40 0.00 -1.74 0.00 0.00 39.64 39.86 2h59 n ILE 100 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2h59 n ASP 101 N 0.34 0.00 -1.44 7.28 5.68 -1.26 -1.22 116.55 125.92 2h59 n ASP 101 Ca 0.13 0.28 -0.18 0.00 -0.50 0.00 0.00 54.79 54.52 2h59 n ASP 101 Cb 0.47 -0.40 -0.08 0.00 -1.14 0.00 0.00 41.12 39.98 2h59 n ASP 101 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2h59 n ARG 102 N -1.40 -1.46 0.17 0.11 5.12 -1.26 -4.87 116.66 113.08 2h59 n ARG 102 Ca 0.06 1.08 0.05 0.00 -1.93 0.00 0.00 57.85 57.12 2h59 n ARG 102 Cb 0.17 -5.43 0.18 0.00 -1.16 0.00 0.00 32.46 26.22 2h59 n ARG 102 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2h59 h LEU 103 N 0.00 0.00 -0.02 0.55 3.38 -1.95 -1.95 115.31 115.32 2h59 h LEU 103 Ca -0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2h59 h LEU 103 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2h59 h LEU 103 CO 0.53 0.38 0.01 0.45 0.09 0.00 0.00 178.44 179.90 2h59 h HIS 104 N 0.00 0.03 -0.76 1.13 3.86 -1.94 -1.49 115.15 115.98 2h59 h HIS 104 Ca -0.00 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 2h59 h HIS 104 Cb 1.14 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.56 2h59 h HIS 104 CO 0.00 0.21 0.28 1.96 0.86 0.00 0.00 177.93 181.25 2h59 h GLN 105 N -0.16 1.15 0.00 2.45 7.50 -1.75 -0.97 115.11 123.34 2h59 h GLN 105 Ca 0.01 -0.22 -0.00 0.00 0.50 0.00 0.00 58.65 58.93 2h59 h GLN 105 Cb 0.20 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 27.55 2h59 h GLN 105 CO -0.00 0.95 -0.02 0.00 -1.50 0.00 0.00 178.83 178.26 2h59 h ARG 106 N 1.11 0.00 -0.00 1.46 3.08 -1.23 -0.73 114.38 118.07 2h59 h ARG 106 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2h59 h ARG 106 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2h59 h ARG 106 CO -0.02 0.02 -0.24 0.00 -1.07 0.00 0.00 179.97 178.66 2h59 n ALA 107 N -2.24 3.02 0.00 0.04 0.00 -0.57 -4.93 120.51 115.82 2h59 n ALA 107 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2h59 n ALA 107 Cb 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2h59 n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h59 n GLY 108 N 1.38 1.08 3.75 0.00 0.00 -0.28 -4.78 105.19 106.33 2h59 n GLY 108 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2h59 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2h59 s SER 109 N -2.02 6.96 -0.19 1.61 0.01 -0.43 -4.92 113.70 114.72 2h59 s SER 109 Ca 0.00 2.43 0.04 0.00 1.31 0.00 0.00 55.95 59.73 2h59 s SER 109 Cb 0.00 -2.62 -0.22 0.00 0.21 0.00 0.00 66.02 63.39 2h59 s SER 109 CO 0.00 -0.44 0.09 0.29 0.41 0.00 0.00 173.24 173.59 2h59 n LYS 110 N 1.86 0.69 -3.71 12.44 5.02 -1.26 -4.40 118.16 128.80 2h59 n LYS 110 Ca 0.03 0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 56.12 2h59 n LYS 110 Cb 0.43 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 2h59 n LYS 110 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2h59 s LYS 111 N -2.53 2.45 -0.18 1.97 1.02 -1.26 -5.01 119.74 116.20 2h59 s LYS 111 Ca -0.24 -2.32 0.01 0.00 0.02 0.00 0.00 55.97 53.44 2h59 s LYS 111 Cb 0.08 -3.73 0.03 0.00 -0.52 0.00 0.00 37.83 33.69 2h59 s LYS 111 CO 0.71 -1.15 -0.16 0.08 -0.92 0.00 0.00 175.35 173.91 2h59 s VAL 112 N 0.30 1.83 -0.36 3.17 1.01 -1.26 -0.91 120.40 124.19 2h59 s VAL 112 Ca 0.14 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 2h59 s VAL 112 Cb -0.21 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2h59 s VAL 112 CO -0.04 0.43 0.34 -0.63 0.00 0.00 0.00 175.10 175.20 2h59 s ILE 113 N 1.36 5.19 -0.68 2.22 1.01 0.31 -4.99 121.20 125.62 2h59 s ILE 113 Ca 0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 2h59 s ILE 113 Cb -0.14 -3.83 0.13 0.00 0.01 0.00 0.00 42.46 38.63 2h59 s ILE 113 CO -0.11 -0.13 0.76 -1.61 0.00 0.00 0.00 174.94 173.85 2h59 s GLU 114 N 1.94 3.22 0.41 2.79 2.02 -1.26 -0.71 118.70 127.11 2h59 s GLU 114 Ca 0.10 -1.63 0.29 0.00 0.02 0.00 0.00 54.97 53.75 2h59 s GLU 114 Cb -0.17 -4.39 1.11 0.00 0.10 0.00 0.00 34.13 30.77 2h59 s GLU 114 CO 0.11 -1.51 1.84 -0.07 0.02 0.00 0.00 175.26 175.65 2h59 h LEU 115 N 9.55 0.00 -1.96 1.80 3.38 -1.53 -3.28 115.31 123.26 2h59 h LEU 115 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2h59 h LEU 115 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2h59 h LEU 115 CO 1.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.56 2h59 n ALA 116 N -1.95 2.33 0.00 1.53 0.00 -1.26 -4.55 120.51 116.61 2h59 n ALA 116 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2h59 n ALA 116 Cb 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2h59 n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h59 n GLY 117 N 0.30 -0.27 3.42 0.00 0.00 -1.24 -0.99 105.19 106.41 2h59 n GLY 117 Ca 0.06 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 2h59 n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h59 s ASN 118 N -4.00 -0.51 0.26 1.61 2.20 -0.74 -4.49 114.94 109.27 2h59 s ASN 118 Ca 0.00 0.18 0.25 0.00 -0.94 0.00 0.00 52.86 52.36 2h59 s ASN 118 Cb 0.00 0.53 0.87 0.00 -2.00 0.00 0.00 41.25 40.66 2h59 s ASN 118 CO 0.00 -0.79 1.75 1.62 -2.94 0.00 0.00 177.10 176.74 2h59 h VAL 119 N 2.54 0.00 0.00 3.54 3.04 -1.48 -3.33 116.25 120.56 2h59 h VAL 119 Ca -0.31 -0.42 -0.28 0.00 -1.01 0.00 0.00 66.70 64.67 2h59 h VAL 119 Cb 1.23 1.32 -0.05 0.00 -2.01 0.00 0.00 31.29 31.79 2h59 h VAL 119 CO 0.40 0.00 -1.70 -0.62 -1.01 0.00 0.00 177.57 174.64 2h59 n GLU 120 N -2.34 0.63 -4.11 4.17 1.02 -1.26 -4.63 120.64 114.12 2h59 n GLU 120 Ca 0.04 0.29 -0.36 0.00 -0.02 0.00 0.00 57.16 57.11 2h59 n GLU 120 Cb 0.36 -1.79 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 2h59 n GLU 120 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2h59 s GLU 121 N -2.62 3.27 0.05 3.49 2.02 -1.25 -1.50 118.70 122.16 2h59 s GLU 121 Ca -0.05 -0.27 -0.00 0.00 0.02 0.00 0.00 54.97 54.67 2h59 s GLU 121 Cb 0.08 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 2h59 s GLU 121 CO 0.82 0.71 -0.04 0.71 0.02 0.00 0.00 175.26 177.48 2h59 s TYR 122 N -0.86 0.56 0.02 1.61 2.02 -0.15 -0.62 117.35 119.93 2h59 s TYR 122 Ca 0.13 -0.97 -0.28 0.00 -0.37 0.00 0.00 57.07 55.58 2h59 s TYR 122 Cb -0.12 -0.39 0.08 0.00 -0.40 0.00 0.00 41.96 41.13 2h59 s TYR 122 CO 0.03 -0.31 0.69 1.52 -1.57 0.00 0.00 175.55 175.91 2h59 s TYR 123 N -3.54 -0.56 0.28 2.71 -0.85 -0.15 -0.80 117.35 114.43 2h59 s TYR 123 Ca 0.05 0.71 -0.29 0.00 -0.52 0.00 0.00 57.07 57.01 2h59 s TYR 123 Cb 0.05 0.48 -0.10 0.00 0.38 0.00 0.00 41.96 42.78 2h59 s TYR 123 CO -0.08 -0.67 1.28 0.00 -1.52 0.00 0.00 175.55 174.56 2h59 h VAL 125 N 3.29 1.27 0.00 0.00 -1.51 -1.31 -1.45 116.25 116.54 2h59 h VAL 125 Ca -0.47 -1.29 0.00 0.00 -1.23 0.00 0.00 66.70 63.71 2h59 h VAL 125 Cb 1.22 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 2h59 h VAL 125 CO 0.70 0.41 -0.09 -0.09 -1.23 0.00 0.00 177.57 177.27 2h59 h ARG 126 N 0.41 0.00 -0.03 5.19 9.65 -1.93 -3.40 114.38 124.27 2h59 h ARG 126 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2h59 h ARG 126 Cb 0.69 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 2h59 h ARG 126 CO 0.05 0.00 -0.03 0.00 2.80 0.00 0.00 179.97 182.79 2h59 n GLU 128 N 1.24 -1.29 -2.00 0.00 1.02 -0.55 -4.95 120.64 114.11 2h59 n GLU 128 Ca 0.14 1.05 -0.42 0.00 -0.02 0.00 0.00 57.16 57.91 2h59 n GLU 128 Cb 0.58 -5.37 -0.03 0.00 -0.02 0.00 0.00 31.44 26.60 2h59 n GLU 128 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2h59 s LYS 129 N -3.89 4.25 0.22 3.49 2.20 -1.26 -4.59 119.74 120.16 2h59 s LYS 129 Ca 0.00 2.29 -0.22 0.00 -0.36 0.00 0.00 55.97 57.68 2h59 s LYS 129 Cb 0.00 -3.15 -0.08 0.00 -1.51 0.00 0.00 37.83 33.08 2h59 s LYS 129 CO 0.00 -0.51 0.77 0.15 -0.36 0.00 0.00 175.35 175.40 2h59 s LYS 130 N 0.59 4.39 0.03 4.03 1.02 -1.26 0.00 119.74 128.54 2h59 s LYS 130 Ca 0.65 1.02 0.00 0.00 0.02 0.00 0.00 55.97 57.66 2h59 s LYS 130 Cb -0.42 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2h59 s LYS 130 CO 0.35 0.43 -0.04 0.71 -0.92 0.00 0.00 175.35 175.88 2h59 s TYR 131 N -1.43 0.37 0.47 3.18 2.02 0.02 -4.93 117.35 117.05 2h59 s TYR 131 Ca 0.42 -0.62 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 2h59 s TYR 131 Cb -0.19 -0.26 -0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2h59 s TYR 131 CO 0.23 -0.21 0.74 0.95 -1.57 0.00 0.00 175.55 175.69 2h59 s THR 132 N -1.89 4.44 0.32 -0.71 -4.23 -1.26 -0.98 115.64 111.32 2h59 s THR 132 Ca -0.11 -0.13 0.03 0.00 -1.18 0.00 0.00 61.69 60.29 2h59 s THR 132 Cb -0.07 -3.68 0.29 0.00 1.34 0.00 0.00 72.50 70.38 2h59 s THR 132 CO -0.02 -0.59 1.92 1.62 -0.54 0.00 0.00 174.62 177.01 2h59 h VAL 133 N 0.27 1.04 -0.74 2.29 3.04 -1.53 -2.50 116.25 118.12 2h59 h VAL 133 Ca -0.47 -0.32 -0.02 0.00 -1.01 0.00 0.00 66.70 64.88 2h59 h VAL 133 Cb 1.23 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.50 2h59 h VAL 133 CO 0.60 0.17 0.37 -0.33 -1.01 0.00 0.00 177.57 177.38 2h59 h GLU 134 N 0.93 1.06 -0.69 4.17 3.07 -1.94 0.22 114.58 121.41 2h59 h GLU 134 Ca 0.37 -0.15 0.07 0.00 -0.50 0.00 0.00 59.36 59.15 2h59 h GLU 134 Cb 0.24 -0.20 -0.06 0.00 -0.84 0.00 0.00 28.75 27.89 2h59 h GLU 134 CO -0.14 0.82 0.38 -0.44 -1.40 0.00 0.00 179.01 178.23 2h59 h ASP 135 N 1.04 0.55 -0.01 1.42 3.32 -1.84 -0.55 116.42 120.34 2h59 h ASP 135 Ca 0.26 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.16 2h59 h ASP 135 Cb 0.10 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.59 2h59 h ASP 135 CO -0.04 0.35 -0.72 0.58 -1.72 0.00 0.00 179.24 177.69 2h59 h VAL 136 N 0.68 1.38 -0.66 -1.35 2.07 -1.10 -1.05 116.25 116.23 2h59 h VAL 136 Ca 0.32 -2.11 0.11 0.00 0.82 0.00 0.00 66.70 65.83 2h59 h VAL 136 Cb 0.23 2.51 -0.08 0.00 -1.52 0.00 0.00 31.29 32.43 2h59 h VAL 136 CO -0.20 0.63 0.24 0.40 0.02 0.00 0.00 177.57 178.66 2h59 h ILE 137 N 0.05 0.72 0.32 4.57 2.04 -0.88 -0.56 117.51 123.78 2h59 h ILE 137 Ca -0.09 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2h59 h ILE 137 Cb 1.41 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2h59 h ILE 137 CO 0.14 0.08 -0.20 0.50 0.00 0.00 0.00 178.15 178.67 2h59 h LYS 138 N 0.41 -0.48 -0.99 2.37 3.64 -0.95 -2.99 116.57 117.58 2h59 h LYS 138 Ca 0.34 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.96 2h59 h LYS 138 Cb 0.46 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.29 2h59 h LYS 138 CO -0.35 -0.32 0.62 0.87 -2.27 0.00 0.00 179.45 178.00 2h59 h LYS 139 N -0.50 0.61 0.00 1.90 1.57 -0.69 -1.25 116.57 118.20 2h59 h LYS 139 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2h59 h LYS 139 Cb 0.42 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2h59 h LYS 139 CO 0.03 0.40 0.00 1.28 -0.57 0.00 0.00 179.45 180.59 2h59 n LEU 140 N -4.71 0.00 0.19 2.94 4.77 -0.26 -1.78 117.00 118.15 2h59 n LEU 140 Ca 0.23 0.15 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2h59 n LEU 140 Cb 0.66 -0.15 0.27 0.00 -2.33 0.00 0.00 43.42 41.88 2h59 n LEU 140 CO 0.23 -0.01 0.66 -0.33 -1.33 0.00 0.00 177.39 176.61 2h59 h GLU 141 N 0.00 0.00 0.00 3.23 5.08 -1.22 -3.40 114.58 118.26 2h59 h GLU 141 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2h59 h GLU 141 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2h59 h GLU 141 CO 0.00 0.35 0.00 0.45 -1.00 0.00 0.00 179.01 178.81 2h59 n SER 142 N -3.36 0.00 -4.38 1.42 2.88 -0.73 -5.08 113.62 104.37 2h59 n SER 142 Ca 0.01 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2h59 n SER 142 Cb 0.56 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.18 2h59 n SER 142 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2h59 s SER 143 N -1.00 2.96 0.00 -3.46 0.15 -0.91 -5.00 113.70 106.45 2h59 s SER 143 Ca 0.00 0.64 0.19 0.00 0.70 0.00 0.00 55.95 57.48 2h59 s SER 143 Cb 0.00 -0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 2h59 s SER 143 CO 0.00 -2.86 0.94 0.47 1.20 0.00 0.00 173.24 172.99 2h59 n ASP 144 N -3.92 1.69 -3.81 5.45 9.92 -1.26 -4.36 116.55 120.26 2h59 n ASP 144 Ca 0.11 -1.34 -0.14 0.00 -0.53 0.00 0.00 54.79 52.89 2h59 n ASP 144 Cb 0.60 0.55 -0.15 0.00 -0.64 0.00 0.00 41.12 41.48 2h59 n ASP 144 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2h59 s VAL 145 N -2.26 -0.03 -0.16 2.53 -7.23 -1.26 -4.39 120.40 107.60 2h59 s VAL 145 Ca 0.14 0.12 -0.27 0.00 -1.81 0.00 0.00 61.98 60.17 2h59 s VAL 145 Cb 0.15 -0.09 -0.01 0.00 0.56 0.00 0.00 36.38 36.99 2h59 s VAL 145 CO 0.52 0.05 0.89 -2.16 -0.31 0.00 0.00 175.10 174.09 2h59 s PRO 146 N 0.62 4.33 0.12 4.82 0.04 -1.26 -4.95 135.00 138.71 2h59 s PRO 146 Ca -0.05 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.16 2h59 s PRO 146 Cb -0.07 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2h59 s PRO 146 CO -0.02 -0.34 0.11 -0.51 0.04 0.00 0.00 177.00 176.28 2h59 s LEU 147 N 2.17 3.80 0.67 -3.56 2.01 -1.26 -1.27 118.68 121.24 2h59 s LEU 147 Ca 0.41 -0.06 -0.15 0.00 0.01 0.00 0.00 54.13 54.34 2h59 s LEU 147 Cb -0.17 -2.45 0.01 0.00 0.01 0.00 0.00 46.19 43.59 2h59 s LEU 147 CO 0.13 0.13 1.13 0.00 1.01 0.00 0.00 176.35 178.75 2h59 h ASP 149 N -0.01 -0.32 1.34 0.00 3.32 -1.97 -2.45 116.42 116.34 2h59 h ASP 149 Ca -0.47 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.34 2h59 h ASP 149 Cb 1.26 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 2h59 h ASP 149 CO 0.53 0.13 -0.12 0.44 -1.72 0.00 0.00 179.24 178.50 2h59 h ASP 150 N -0.87 0.00 0.00 6.45 3.32 -2.00 -3.38 116.42 119.94 2h59 h ASP 150 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2h59 h ASP 150 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2h59 h ASP 150 CO 0.06 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.71 2h59 n ASN 152 N 0.00 -5.40 -4.63 0.00 5.15 -0.92 -4.92 115.26 104.54 2h59 n ASN 152 Ca 0.00 0.26 -0.26 0.00 -0.60 0.00 0.00 54.58 53.98 2h59 n ASN 152 Cb 0.08 -3.82 0.11 0.00 -0.53 0.00 0.00 39.78 35.62 2h59 n ASN 152 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2h59 s SER 153 N -2.46 4.20 0.37 1.20 0.01 -1.26 -4.42 113.70 111.34 2h59 s SER 153 Ca 0.00 0.17 -0.28 0.00 1.31 0.00 0.00 55.95 57.15 2h59 s SER 153 Cb 0.00 -0.57 -0.11 0.00 0.21 0.00 0.00 66.02 65.55 2h59 s SER 153 CO 0.00 -1.99 1.46 -0.11 0.41 0.00 0.00 173.24 173.00 2h59 n LEU 154 N -3.13 4.56 -4.79 2.44 7.94 -1.26 -1.17 117.00 121.58 2h59 n LEU 154 Ca 0.12 1.22 -0.36 0.00 -1.11 0.00 0.00 56.01 55.88 2h59 n LEU 154 Cb 0.60 -1.60 -0.07 0.00 0.53 0.00 0.00 43.42 42.88 2h59 n LEU 154 CO 0.47 0.05 -0.18 -0.63 -1.11 0.00 0.00 177.39 175.99 2h59 s ILE 155 N -1.07 5.38 0.15 1.96 1.01 -0.40 -0.85 121.20 127.37 2h59 s ILE 155 Ca 0.54 0.17 0.10 0.00 0.00 0.00 0.00 60.65 61.46 2h59 s ILE 155 Cb -0.49 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2h59 s ILE 155 CO 0.63 0.53 -0.22 0.00 0.00 0.00 0.00 174.94 175.88 2h59 s ARG 156 N -0.28 1.61 0.61 2.79 1.70 0.18 -4.77 118.95 120.80 2h59 s ARG 156 Ca 0.11 -1.34 -0.15 0.00 -0.47 0.00 0.00 55.73 53.88 2h59 s ARG 156 Cb -0.12 -1.98 -0.03 0.00 -0.57 0.00 0.00 34.95 32.26 2h59 s ARG 156 CO 0.01 0.44 1.06 -1.25 -1.08 0.00 0.00 175.30 174.48 2h59 s PRO 157 N -2.33 3.24 -1.31 3.89 0.04 -1.26 -0.97 135.00 136.29 2h59 s PRO 157 Ca 0.18 1.15 -0.06 0.00 0.04 0.00 0.00 61.00 62.30 2h59 s PRO 157 Cb -0.09 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.56 2h59 s PRO 157 CO 0.09 -0.87 2.24 -1.71 0.04 0.00 0.00 177.00 176.79 2h59 n ASN 158 N -2.26 7.24 -4.36 6.66 5.15 0.21 -4.85 115.26 123.03 2h59 n ASN 158 Ca 0.08 -3.13 -0.20 0.00 -0.60 0.00 0.00 54.58 50.73 2h59 n ASN 158 Cb 0.53 -1.39 -0.10 0.00 -0.53 0.00 0.00 39.78 38.28 2h59 n ASN 158 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2h59 s ILE 159 N -0.75 1.87 -0.31 -1.44 -1.09 -1.26 -1.78 121.20 116.44 2h59 s ILE 159 Ca 0.50 -2.15 -0.17 0.00 -2.23 0.00 0.00 60.65 56.60 2h59 s ILE 159 Cb 0.16 -2.02 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 2h59 s ILE 159 CO -0.06 -0.48 0.48 -0.69 -1.23 0.00 0.00 174.94 172.95 2h59 s VAL 160 N -2.61 5.07 0.51 2.92 1.01 -0.16 -4.93 120.40 122.21 2h59 s VAL 160 Ca 0.21 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 2h59 s VAL 160 Cb -0.03 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2h59 s VAL 160 CO 0.08 -0.06 0.89 -0.36 0.00 0.00 0.00 175.10 175.65 2h59 s PHE 161 N 2.29 3.55 0.23 5.22 0.08 -1.26 -4.99 117.98 123.09 2h59 s PHE 161 Ca 0.18 1.11 -0.31 0.00 0.12 0.00 0.00 56.93 58.02 2h59 s PHE 161 Cb -0.16 -2.53 -0.13 0.00 -0.57 0.00 0.00 43.02 39.63 2h59 s PHE 161 CO 0.11 -0.38 1.47 1.19 -0.10 0.00 0.00 175.22 177.52 2h59 n PHE 162 N -2.09 2.29 -0.10 0.36 3.72 0.13 -1.62 117.46 120.15 2h59 n PHE 162 Ca 0.04 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 2h59 n PHE 162 Cb 0.54 -2.50 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 2h59 n PHE 162 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2h59 n GLY 163 N 2.40 1.03 3.93 1.37 0.00 -1.26 -1.41 105.19 111.25 2h59 n GLY 163 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2h59 n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h59 s GLU 164 N -0.62 3.48 0.39 1.61 2.02 -0.64 -4.97 118.70 119.98 2h59 s GLU 164 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 54.97 54.30 2h59 s GLU 164 Cb 0.00 -2.95 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 2h59 s GLU 164 CO 0.00 0.52 1.21 -0.80 0.02 0.00 0.00 175.26 176.21 2h59 s ASN 165 N -2.87 6.49 0.71 -0.19 0.02 -1.26 -4.87 114.94 112.97 2h59 s ASN 165 Ca 0.36 2.44 -0.12 0.00 -1.02 0.00 0.00 52.86 54.52 2h59 s ASN 165 Cb -0.12 -2.62 0.02 0.00 0.02 0.00 0.00 41.25 38.55 2h59 s ASN 165 CO 0.28 -0.70 1.08 -0.76 0.02 0.00 0.00 177.10 177.02 2h59 s LEU 166 N -2.41 3.19 0.21 0.60 1.02 -1.26 -4.95 118.68 115.07 2h59 s LEU 166 Ca 0.56 1.82 -0.32 0.00 0.02 0.00 0.00 54.13 56.21 2h59 s LEU 166 Cb -0.33 -4.52 -0.13 0.00 0.02 0.00 0.00 46.19 41.23 2h59 s LEU 166 CO 0.42 -1.72 1.66 -0.81 0.02 0.00 0.00 176.35 175.91 2h59 n PRO 167 N -3.02 2.56 0.02 1.29 -0.04 -1.26 -4.86 135.00 129.69 2h59 n PRO 167 Ca 0.09 0.92 -0.13 0.00 -0.04 0.00 0.00 63.50 64.34 2h59 n PRO 167 Cb 0.53 -2.73 -0.09 0.00 -0.04 0.00 0.00 33.50 31.17 2h59 n PRO 167 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2h59 h GLN 168 N 6.20 -0.05 -0.37 0.54 4.15 -1.99 -1.68 115.11 121.91 2h59 h GLN 168 Ca -0.44 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.86 2h59 h GLN 168 Cb 1.22 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 2h59 h GLN 168 CO 0.91 0.27 -0.27 -0.44 -1.93 0.00 0.00 178.83 177.37 2h59 h ASP 169 N -0.37 0.78 -0.24 -0.69 3.32 -1.99 -1.42 116.42 115.81 2h59 h ASP 169 Ca -0.00 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 2h59 h ASP 169 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2h59 h ASP 169 CO 0.01 1.01 0.07 0.00 -1.72 0.00 0.00 179.24 178.60 2h59 h ALA 170 N 1.04 0.31 -0.49 3.45 0.00 -1.91 -1.81 119.26 119.85 2h59 h ALA 170 Ca 0.08 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2h59 h ALA 170 Cb 0.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2h59 h ALA 170 CO 0.06 -0.05 -0.09 1.25 0.00 0.00 0.00 179.25 180.42 2h59 h LEU 171 N 0.21 0.88 -0.72 0.00 5.85 -1.15 -0.62 115.31 119.77 2h59 h LEU 171 Ca 0.08 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2h59 h LEU 171 Cb 0.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2h59 h LEU 171 CO -0.00 1.00 0.37 -0.09 -0.34 0.00 0.00 178.44 179.37 2h59 h ARG 172 N 0.80 1.02 -0.48 1.25 2.43 -1.22 -0.48 114.38 117.71 2h59 h ARG 172 Ca 0.13 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2h59 h ARG 172 Cb 0.61 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2h59 h ARG 172 CO 0.04 0.78 0.04 1.49 -1.51 0.00 0.00 179.97 180.81 2h59 h GLU 173 N 0.99 0.81 -0.72 0.20 4.81 -0.92 -0.77 114.58 118.99 2h59 h GLU 173 Ca 0.25 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2h59 h GLU 173 Cb 0.08 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2h59 h GLU 173 CO -0.04 0.84 0.25 0.00 -0.73 0.00 0.00 179.01 179.33 2h59 h ALA 174 N 0.94 1.08 -0.41 2.92 0.00 -0.87 -1.01 119.26 121.90 2h59 h ALA 174 Ca 0.14 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2h59 h ALA 174 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2h59 h ALA 174 CO 0.02 0.64 -0.12 0.82 0.00 0.00 0.00 179.25 180.60 2h59 h ILE 175 N 1.06 1.28 0.38 0.00 2.04 -0.85 -0.39 117.51 121.03 2h59 h ILE 175 Ca 0.24 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2h59 h ILE 175 Cb 0.26 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2h59 h ILE 175 CO -0.01 0.42 -0.18 1.23 0.00 0.00 0.00 178.15 179.60 2h59 h GLY 176 N 0.63 -0.54 0.61 5.37 0.00 -0.85 -1.28 103.07 107.02 2h59 h GLY 176 Ca 0.10 0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.69 2h59 h GLY 176 CO 0.05 -0.19 0.19 1.41 0.00 0.00 0.00 176.54 177.99 2h59 h LEU 177 N -0.60 0.22 -1.27 3.11 3.38 -1.22 -2.10 115.31 116.83 2h59 h LEU 177 Ca -0.05 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2h59 h LEU 177 Cb 0.44 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2h59 h LEU 177 CO 0.09 0.16 0.02 0.28 0.09 0.00 0.00 178.44 179.07 2h59 h SER 178 N 0.37 0.47 0.90 -0.43 0.02 -0.87 -1.09 113.55 112.92 2h59 h SER 178 Ca 0.22 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 2h59 h SER 178 Cb 0.20 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2h59 h SER 178 CO -0.21 0.53 -0.61 0.77 -1.14 0.00 0.00 176.83 176.18 2h59 h SER 179 N 0.49 0.00 0.73 3.07 4.64 -0.73 -3.13 113.55 118.63 2h59 h SER 179 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2h59 h SER 179 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2h59 h SER 179 CO 0.01 0.61 -0.48 0.54 -0.87 0.00 0.00 176.83 176.64 2h59 n ARG 180 N -3.54 0.12 -2.33 4.77 1.74 -0.83 -4.77 116.66 111.82 2h59 n ARG 180 Ca -0.00 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 2h59 n ARG 180 Cb 0.67 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 2h59 n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h59 s ALA 181 N -3.07 3.46 -0.35 7.54 0.00 -0.44 -4.78 121.76 124.12 2h59 s ALA 181 Ca 0.09 0.96 0.22 0.00 0.00 0.00 0.00 51.96 53.24 2h59 s ALA 181 Cb 0.16 -3.46 0.20 0.00 0.00 0.00 0.00 23.12 20.03 2h59 s ALA 181 CO 0.69 -0.46 1.40 0.66 0.00 0.00 0.00 175.76 178.05 2h59 h SER 182 N 6.18 0.00 -3.42 0.00 4.64 -1.41 -3.35 113.55 116.20 2h59 h SER 182 Ca -0.43 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.64 2h59 h SER 182 Cb 1.21 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.98 2h59 h SER 182 CO 0.80 0.04 -0.62 -0.22 -0.87 0.00 0.00 176.83 175.96 2h59 s LEU 183 N -5.94 0.71 -0.11 5.97 2.96 -1.03 -0.67 118.68 120.57 2h59 s LEU 183 Ca 0.04 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 2h59 s LEU 183 Cb 0.07 0.30 -0.00 0.00 0.50 0.00 0.00 46.19 47.05 2h59 s LEU 183 CO 0.72 -0.15 -0.20 -0.32 -1.32 0.00 0.00 176.35 175.07 2h59 s MET 184 N 1.23 3.17 -0.19 1.98 -2.45 0.08 -1.44 119.30 121.68 2h59 s MET 184 Ca -0.08 -0.81 0.01 0.00 -1.25 0.00 0.00 55.69 53.56 2h59 s MET 184 Cb -0.12 -2.43 0.02 0.00 1.25 0.00 0.00 34.83 33.56 2h59 s MET 184 CO -0.06 0.18 -0.19 0.42 1.05 0.00 0.00 175.02 176.42 2h59 s ILE 185 N 0.38 2.09 -0.20 10.11 1.01 -0.27 -0.25 121.20 134.06 2h59 s ILE 185 Ca -0.15 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 59.43 2h59 s ILE 185 Cb -0.17 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2h59 s ILE 185 CO 0.07 0.50 0.10 0.68 0.00 0.00 0.00 174.94 176.29 2h59 s VAL 186 N 1.28 5.10 -0.17 2.92 -7.23 0.39 -0.66 120.40 122.02 2h59 s VAL 186 Ca 0.04 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2h59 s VAL 186 Cb -0.13 -3.32 0.04 0.00 0.56 0.00 0.00 36.38 33.52 2h59 s VAL 186 CO -0.12 0.44 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.26 2h59 s LEU 187 N 0.43 1.86 -0.33 1.32 1.02 -0.27 0.36 118.68 123.06 2h59 s LEU 187 Ca 0.06 -0.70 -0.02 0.00 0.02 0.00 0.00 54.13 53.49 2h59 s LEU 187 Cb -0.12 -1.07 0.00 0.00 0.02 0.00 0.00 46.19 45.02 2h59 s LEU 187 CO -0.00 -0.15 0.22 0.61 0.02 0.00 0.00 176.35 177.05 2h59 n GLY 188 N 4.79 0.53 3.09 -3.19 0.00 -0.50 -1.64 105.19 108.28 2h59 n GLY 188 Ca -0.14 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 2h59 n GLY 188 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2h59 s SER 189 N -3.02 1.87 0.11 1.61 0.15 -1.26 -0.73 113.70 112.43 2h59 s SER 189 Ca 0.11 -0.30 0.27 0.00 0.70 0.00 0.00 55.95 56.73 2h59 s SER 189 Cb -0.05 -0.50 1.00 0.00 -1.71 0.00 0.00 66.02 64.76 2h59 s SER 189 CO 0.14 0.13 1.84 -1.54 1.20 0.00 0.00 173.24 175.00 2h59 n SER 190 N 3.17 0.44 -3.06 5.45 3.41 -1.26 -4.92 113.62 116.85 2h59 n SER 190 Ca -0.18 0.53 -0.18 0.00 -0.26 0.00 0.00 58.87 58.78 2h59 n SER 190 Cb 0.53 -0.65 0.07 0.00 -0.26 0.00 0.00 64.21 63.91 2h59 n SER 190 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2h59 n LEU 191 N -1.91 -3.35 -0.26 1.04 4.77 -1.26 -4.35 117.00 111.68 2h59 n LEU 191 Ca 0.06 -0.47 0.04 0.00 -0.03 0.00 0.00 56.01 55.61 2h59 n LEU 191 Cb 0.39 -2.64 0.02 0.00 -2.33 0.00 0.00 43.42 38.86 2h59 n LEU 191 CO 0.29 0.47 0.29 1.33 -1.33 0.00 0.00 177.39 178.44 2h59 n VAL 192 N -4.26 0.00 -4.35 4.08 0.24 -1.26 -4.71 118.33 108.07 2h59 n VAL 192 Ca -0.08 -0.46 -0.34 0.00 -2.04 0.00 0.00 64.34 61.43 2h59 n VAL 192 Cb 0.58 1.14 -0.13 0.00 -1.47 0.00 0.00 33.84 33.95 2h59 n VAL 192 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2h59 s VAL 193 N -0.94 3.50 0.29 3.34 1.01 -1.26 -5.01 120.40 121.33 2h59 s VAL 193 Ca 0.08 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 2h59 s VAL 193 Cb 0.07 -2.54 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 2h59 s VAL 193 CO 0.15 0.48 0.60 -0.31 0.00 0.00 0.00 175.10 176.02 2h59 s TYR 194 N 0.73 3.44 -2.34 5.22 1.51 -1.26 -0.57 117.35 124.08 2h59 s TYR 194 Ca -0.03 0.86 0.28 0.00 -1.01 0.00 0.00 57.07 57.17 2h59 s TYR 194 Cb -0.15 -2.27 1.21 0.00 -0.11 0.00 0.00 41.96 40.65 2h59 s TYR 194 CO 0.02 0.16 1.83 -0.35 -1.11 0.00 0.00 175.55 176.10 2h59 n PRO 195 N -0.61 1.50 -0.26 -1.71 -0.04 -1.26 -4.88 135.00 127.74 2h59 n PRO 195 Ca 0.00 -0.73 0.05 0.00 -0.04 0.00 0.00 63.50 62.78 2h59 n PRO 195 Cb 0.53 -1.47 0.18 0.00 -0.04 0.00 0.00 33.50 32.71 2h59 n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h59 h ALA 196 N 4.21 1.10 0.00 0.55 0.00 -1.98 -1.19 119.26 121.95 2h59 h ALA 196 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2h59 h ALA 196 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2h59 h ALA 196 CO 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.12 2h59 n ALA 197 N -2.46 1.81 0.20 0.00 0.00 0.26 -1.57 120.51 118.76 2h59 n ALA 197 Ca 0.14 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.64 2h59 n ALA 197 Cb 0.38 -1.32 0.21 0.00 0.00 0.00 0.00 19.45 18.71 2h59 n ALA 197 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2h59 h GLU 198 N 0.00 0.00 -0.32 0.00 4.57 -1.48 -3.38 114.58 113.97 2h59 h GLU 198 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 2h59 h GLU 198 Cb 0.35 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 2h59 h GLU 198 CO 0.00 0.22 0.09 -0.07 -1.18 0.00 0.00 179.01 178.07 2h59 h LEU 199 N 0.00 0.08 -1.63 1.64 3.38 -1.31 -1.33 115.31 116.14 2h59 h LEU 199 Ca -0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2h59 h LEU 199 Cb 1.05 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2h59 h LEU 199 CO 0.03 0.08 -0.00 -0.65 0.09 0.00 0.00 178.44 177.99 2h59 h PRO 200 N 0.22 0.22 -0.33 1.13 0.11 -1.77 -2.13 132.00 129.46 2h59 h PRO 200 Ca 0.15 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 2h59 h PRO 200 Cb 0.14 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2h59 h PRO 200 CO -0.17 0.25 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.69 2h59 h LEU 201 N 0.22 0.54 -0.63 2.35 3.38 -1.49 -1.33 115.31 118.36 2h59 h LEU 201 Ca 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2h59 h LEU 201 Cb 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2h59 h LEU 201 CO 0.00 0.69 0.20 0.40 0.09 0.00 0.00 178.44 179.82 2h59 h ILE 202 N 0.52 1.25 -0.26 1.22 2.04 -0.72 0.41 117.51 121.96 2h59 h ILE 202 Ca 0.10 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2h59 h ILE 202 Cb 0.50 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2h59 h ILE 202 CO 0.03 0.32 0.07 0.74 0.00 0.00 0.00 178.15 179.31 2h59 h THR 203 N 0.90 1.21 -0.52 -0.27 2.02 -1.14 -1.32 112.91 113.79 2h59 h THR 203 Ca 0.20 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 2h59 h THR 203 Cb 0.28 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2h59 h THR 203 CO -0.01 0.22 0.11 0.58 0.37 0.00 0.00 175.52 176.79 2h59 h VAL 204 N 0.25 1.25 -0.92 3.16 2.07 -1.05 0.11 116.25 121.12 2h59 h VAL 204 Ca 0.08 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.73 2h59 h VAL 204 Cb 0.27 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2h59 h VAL 204 CO -0.00 0.33 0.60 -0.09 0.02 0.00 0.00 177.57 178.42 2h59 h ARG 205 N 0.74 1.13 0.00 1.57 9.65 -0.00 -1.87 114.38 125.60 2h59 h ARG 205 Ca 0.16 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2h59 h ARG 205 Cb 0.37 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2h59 h ARG 205 CO 0.01 0.75 0.00 0.43 2.80 0.00 0.00 179.97 183.96 2h59 n SER 206 N -4.50 0.17 0.00 -3.80 7.64 -0.51 -4.90 113.62 107.72 2h59 n SER 206 Ca 0.12 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2h59 n SER 206 Cb 0.08 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2h59 n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h59 n GLY 207 N 0.16 0.59 3.70 0.23 0.00 -0.70 -5.06 105.19 104.10 2h59 n GLY 207 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2h59 n GLY 207 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h59 s GLY 208 N -0.91 1.61 0.23 -0.02 0.00 0.31 -4.96 107.32 103.58 2h59 s GLY 208 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.74 2h59 s GLY 208 CO 0.00 0.46 0.22 0.54 0.00 0.00 0.00 173.10 174.32 2h59 s LYS 209 N -4.89 3.04 -0.10 2.90 1.02 0.16 -4.18 119.74 117.69 2h59 s LYS 209 Ca 0.64 -0.95 0.02 0.00 0.02 0.00 0.00 55.97 55.70 2h59 s LYS 209 Cb -0.19 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2h59 s LYS 209 CO 0.57 0.42 -0.15 -1.17 -0.92 0.00 0.00 175.35 174.11 2h59 s LEU 210 N -3.73 1.73 -0.04 3.17 2.96 -1.26 -0.74 118.68 120.76 2h59 s LEU 210 Ca 0.33 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2h59 s LEU 210 Cb -0.09 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 2h59 s LEU 210 CO 0.26 0.03 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.41 2h59 s VAL 211 N 0.89 2.40 -0.10 1.68 1.01 0.65 -0.48 120.40 126.46 2h59 s VAL 211 Ca -0.09 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2h59 s VAL 211 Cb -0.15 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.35 2h59 s VAL 211 CO 0.00 0.58 -0.18 -0.63 0.00 0.00 0.00 175.10 174.87 2h59 s ILE 212 N -0.50 1.62 -0.33 2.22 1.01 -0.52 -0.46 121.20 124.24 2h59 s ILE 212 Ca 0.06 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2h59 s ILE 212 Cb -0.11 -1.45 0.08 0.00 0.01 0.00 0.00 42.46 41.00 2h59 s ILE 212 CO 0.01 0.46 0.04 -0.69 0.00 0.00 0.00 174.94 174.76 2h59 s VAL 213 N 0.68 2.61 -0.23 2.92 1.01 0.16 -0.33 120.40 127.22 2h59 s VAL 213 Ca -0.13 -1.95 -0.19 0.00 0.00 0.00 0.00 61.98 59.71 2h59 s VAL 213 Cb -0.16 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.55 2h59 s VAL 213 CO 0.03 -0.40 0.61 0.21 0.00 0.00 0.00 175.10 175.55 2h59 s ASN 214 N 1.21 -0.68 -0.84 3.32 3.84 -0.64 -1.41 114.94 119.74 2h59 s ASN 214 Ca 0.03 1.25 -0.21 0.00 0.21 0.00 0.00 52.86 54.14 2h59 s ASN 214 Cb -0.20 1.23 0.09 0.00 -0.55 0.00 0.00 41.25 41.82 2h59 s ASN 214 CO -0.05 -0.22 1.13 -0.76 -2.79 0.00 0.00 177.10 174.41 2h59 s LEU 215 N 0.64 4.49 0.00 3.21 1.02 -1.26 -3.64 118.68 123.14 2h59 s LEU 215 Ca -0.03 -1.51 0.00 0.00 0.02 0.00 0.00 54.13 52.61 2h59 s LEU 215 Cb -0.05 -2.44 0.00 0.00 0.02 0.00 0.00 46.19 43.72 2h59 s LEU 215 CO -0.04 -1.30 0.00 0.61 0.02 0.00 0.00 176.35 175.64 2h59 n GLY 216 N 5.65 4.46 3.77 -3.19 0.00 -1.26 -5.05 105.19 109.57 2h59 n GLY 216 Ca 0.15 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 2h59 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h59 s GLU 217 N -3.73 3.83 0.22 1.61 8.01 -1.26 -5.04 118.70 122.35 2h59 s GLU 217 Ca 0.00 1.73 0.08 0.00 0.01 0.00 0.00 54.97 56.79 2h59 s GLU 217 Cb 0.00 -2.44 -0.05 0.00 -4.31 0.00 0.00 34.13 27.34 2h59 s GLU 217 CO 0.00 -0.48 -0.13 0.95 0.01 0.00 0.00 175.26 175.61 2h59 s THR 218 N -1.56 1.77 0.16 3.63 -4.23 -1.26 -4.92 115.64 109.23 2h59 s THR 218 Ca 0.62 -2.21 0.33 0.00 -1.18 0.00 0.00 61.69 59.26 2h59 s THR 218 Cb -0.27 -2.15 0.35 0.00 1.34 0.00 0.00 72.50 71.77 2h59 s THR 218 CO 0.34 -0.52 2.01 1.55 -0.54 0.00 0.00 174.62 177.46 2h59 h PRO 219 N 2.48 0.00 -0.25 3.99 0.13 -1.84 -3.01 132.00 133.49 2h59 h PRO 219 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2h59 h PRO 219 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2h59 h PRO 219 CO 0.63 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.59 2h59 n PHE 220 N -2.74 0.69 -0.37 1.56 3.72 -1.26 -4.61 117.46 114.45 2h59 n PHE 220 Ca -0.01 -0.76 0.03 0.00 -0.05 0.00 0.00 57.45 56.65 2h59 n PHE 220 Cb 0.13 -0.21 0.18 0.00 -0.94 0.00 0.00 39.48 38.64 2h59 n PHE 220 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2h59 h ASP 221 N 1.65 1.01 0.88 4.37 3.32 -1.94 -2.49 116.42 123.23 2h59 h ASP 221 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 2h59 h ASP 221 Cb 1.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 2h59 h ASP 221 CO 0.13 0.63 -0.26 0.44 -1.72 0.00 0.00 179.24 178.47 2h59 h ASP 222 N 1.14 0.00 0.02 6.45 3.32 -1.86 -2.62 116.42 122.88 2h59 h ASP 222 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2h59 h ASP 222 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2h59 h ASP 222 CO -0.19 0.26 -0.12 2.30 -1.72 0.00 0.00 179.24 179.78 2h59 n ILE 223 N -3.44 0.00 -2.17 0.35 -5.35 -1.02 -4.95 119.36 102.78 2h59 n ILE 223 Ca -0.00 -0.32 -0.41 0.00 -0.27 0.00 0.00 62.75 61.75 2h59 n ILE 223 Cb 0.44 0.95 -0.03 0.00 -1.74 0.00 0.00 39.64 39.27 2h59 n ILE 223 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2h59 s ALA 224 N -2.16 3.52 0.12 -1.28 0.00 -0.97 -4.77 121.76 116.22 2h59 s ALA 224 Ca 0.29 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 2h59 s ALA 224 Cb 0.20 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2h59 s ALA 224 CO 0.39 -0.57 1.61 1.15 0.00 0.00 0.00 175.76 178.34 2h59 h THR 225 N 3.39 1.23 -4.00 0.00 2.02 -1.11 -3.44 112.91 111.01 2h59 h THR 225 Ca -0.47 -0.82 -0.37 0.00 0.77 0.00 0.00 66.41 65.53 2h59 h THR 225 Cb 1.22 1.05 -0.27 0.00 -1.74 0.00 0.00 68.15 68.41 2h59 h THR 225 CO 0.72 0.28 -0.77 -0.76 0.37 0.00 0.00 175.52 175.36 2h59 s LEU 226 N -9.59 2.06 -0.11 2.58 1.43 -1.16 -5.05 118.68 108.84 2h59 s LEU 226 Ca -0.13 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2h59 s LEU 226 Cb 0.10 -0.41 0.02 0.00 0.03 0.00 0.00 46.19 45.92 2h59 s LEU 226 CO 0.77 0.06 -0.14 -0.75 0.23 0.00 0.00 176.35 176.51 2h59 s LYS 227 N -0.47 2.11 -0.34 1.70 2.47 -1.26 -1.43 119.74 122.51 2h59 s LYS 227 Ca 0.01 -0.51 -0.06 0.00 -1.56 0.00 0.00 55.97 53.85 2h59 s LYS 227 Cb -0.04 -1.85 0.04 0.00 -1.46 0.00 0.00 37.83 34.52 2h59 s LYS 227 CO -0.00 -0.11 0.11 0.71 0.16 0.00 0.00 175.35 176.22 2h59 s TYR 228 N 1.14 3.27 -1.22 4.03 2.02 0.55 -4.98 117.35 122.15 2h59 s TYR 228 Ca -0.04 -1.47 -0.18 0.00 -0.37 0.00 0.00 57.07 55.02 2h59 s TYR 228 Cb -0.14 -2.33 0.09 0.00 -0.40 0.00 0.00 41.96 39.18 2h59 s TYR 228 CO -0.04 -0.74 1.60 1.21 -1.57 0.00 0.00 175.55 176.01 2h59 s ASN 229 N 1.44 6.84 -0.15 2.29 3.84 -1.26 -1.63 114.94 126.31 2h59 s ASN 229 Ca -0.01 -2.42 -0.18 0.00 0.21 0.00 0.00 52.86 50.45 2h59 s ASN 229 Cb -0.20 -2.53 0.05 0.00 -0.55 0.00 0.00 41.25 38.02 2h59 s ASN 229 CO 0.02 -1.11 0.49 -0.32 -2.79 0.00 0.00 177.10 173.40 2h59 s MET 230 N 3.65 0.64 0.34 0.43 1.75 -1.24 -4.89 119.30 119.99 2h59 s MET 230 Ca 0.49 0.54 -0.29 0.00 -1.25 0.00 0.00 55.69 55.18 2h59 s MET 230 Cb 0.02 0.31 -0.11 0.00 2.84 0.00 0.00 34.83 37.89 2h59 s MET 230 CO 0.03 -0.11 1.46 0.34 -0.65 0.00 0.00 175.02 176.09 2h59 s ASP 231 N -0.09 6.47 0.40 1.11 2.15 -1.26 -4.11 116.67 121.34 2h59 s ASP 231 Ca -0.03 2.92 0.07 0.00 0.43 0.00 0.00 52.55 55.94 2h59 s ASP 231 Cb -0.03 -2.65 0.83 0.00 -0.30 0.00 0.00 42.92 40.77 2h59 s ASP 231 CO 0.02 -0.79 2.04 -0.37 -0.17 0.00 0.00 175.17 175.90 2h59 h VAL 232 N 3.11 1.11 -0.16 1.11 -1.51 -1.91 -1.14 116.25 116.86 2h59 h VAL 232 Ca -0.49 -0.25 -0.19 0.00 -1.23 0.00 0.00 66.70 64.54 2h59 h VAL 232 Cb 1.23 0.54 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2h59 h VAL 232 CO 0.68 0.12 -0.66 0.58 -1.23 0.00 0.00 177.57 177.06 2h59 h VAL 233 N 0.55 1.32 -0.51 7.19 2.07 -1.95 -0.64 116.25 124.29 2h59 h VAL 233 Ca 0.15 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 2h59 h VAL 233 Cb -0.03 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2h59 h VAL 233 CO -0.03 0.60 0.27 -0.08 0.02 0.00 0.00 177.57 178.36 2h59 h GLU 234 N 0.45 0.72 -0.12 1.57 4.81 -1.83 0.18 114.58 120.36 2h59 h GLU 234 Ca -0.02 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2h59 h GLU 234 Cb 1.25 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2h59 h GLU 234 CO 0.13 0.57 -0.13 0.35 -0.73 0.00 0.00 179.01 179.20 2h59 h PHE 235 N 0.68 -0.34 -0.48 0.92 3.57 -1.11 -0.58 116.94 119.60 2h59 h PHE 235 Ca 0.18 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.74 2h59 h PHE 235 Cb 0.07 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2h59 h PHE 235 CO -0.01 -0.20 0.25 0.00 -2.23 0.00 0.00 178.31 176.12 2h59 h ALA 236 N 0.90 0.61 -0.01 2.41 0.00 -0.96 -0.28 119.26 121.93 2h59 h ALA 236 Ca 0.09 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2h59 h ALA 236 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2h59 h ALA 236 CO -0.22 -0.10 -0.07 -0.09 0.00 0.00 0.00 179.25 178.77 2h59 h ARG 237 N 0.49 -0.11 -0.92 0.00 2.43 -0.57 -1.51 114.38 114.19 2h59 h ARG 237 Ca 0.21 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2h59 h ARG 237 Cb 0.11 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2h59 h ARG 237 CO -0.14 -0.07 0.61 0.00 -1.51 0.00 0.00 179.97 178.85 2h59 h ARG 238 N -0.11 1.19 -0.20 0.20 3.08 -0.87 0.14 114.38 117.80 2h59 h ARG 238 Ca 0.03 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2h59 h ARG 238 Cb 0.15 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2h59 h ARG 238 CO -0.08 0.79 0.01 0.28 -1.07 0.00 0.00 179.97 179.90 2h59 h VAL 239 N 1.23 1.25 -0.74 2.04 2.07 -0.84 -1.65 116.25 119.61 2h59 h VAL 239 Ca 0.34 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2h59 h VAL 239 Cb -0.11 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2h59 h VAL 239 CO -0.08 0.25 0.49 0.24 0.02 0.00 0.00 177.57 178.49 2h59 h MET 240 N 0.12 0.98 -0.64 1.57 2.86 -1.16 -0.54 114.93 118.13 2h59 h MET 240 Ca 0.06 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2h59 h MET 240 Cb 0.37 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2h59 h MET 240 CO 0.01 0.65 0.30 0.93 1.06 0.00 0.00 176.91 179.85 2h59 h GLU 241 N 1.01 0.91 -0.20 1.72 5.08 -0.79 -2.44 114.58 119.86 2h59 h GLU 241 Ca 0.27 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2h59 h GLU 241 Cb -0.11 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 28.97 2h59 h GLU 241 CO -0.06 0.71 0.00 0.39 -1.00 0.00 0.00 179.01 179.05 2h59 n GLU 242 N -4.34 1.70 0.00 2.33 1.02 -0.64 -4.90 120.64 115.81 2h59 n GLU 242 Ca 0.06 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 2h59 n GLU 242 Cb 0.14 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2h59 n GLU 242 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h59 n GLY 243 N 1.08 1.08 0.24 0.62 0.00 -0.92 -4.96 105.19 102.33 2h59 n GLY 243 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2h59 n GLY 243 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2h59 h GLY 244 N 0.00 0.00 -1.01 -0.02 0.00 -1.26 -3.46 103.07 97.31 2h59 h GLY 244 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2h59 h GLY 244 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.93 2h59 n ILE 245 N -3.77 -1.10 0.00 2.60 5.41 -1.26 -4.91 119.36 116.33 2h59 n ILE 245 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2h59 n ILE 245 Cb 0.29 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 2h59 n ILE 245 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35