#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h59 n LYS 2 N 0.00 0.00 0.00 0.03 4.81 -1.26 -3.36 118.16 118.38 2h59 n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2h59 n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2h59 n LYS 2 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2h59 n MET 3 N 0.00 0.00 -0.15 1.64 2.81 -1.26 -4.81 117.12 115.35 2h59 n MET 3 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 2h59 n MET 3 Cb 0.00 -0.30 -0.03 0.00 -0.71 0.00 0.00 33.22 32.18 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 0.00 -0.26 -0.59 0.03 1.63 -1.98 0.86 116.57 116.26 2h59 h LYS 4 Ca 0.00 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2h59 h LYS 4 Cb 0.00 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.63 2h59 h LYS 4 CO 0.00 -0.17 0.27 0.93 -3.45 0.00 0.00 179.45 177.02 2h59 h GLU 5 N -0.27 0.47 0.23 1.90 5.08 -1.87 -0.49 114.58 119.63 2h59 h GLU 5 Ca 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2h59 h GLU 5 Cb 0.57 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2h59 h GLU 5 CO -0.61 0.31 -0.11 0.35 -1.00 0.00 0.00 179.01 177.96 2h59 h PHE 6 N 0.49 -0.29 -0.85 4.33 3.57 -1.26 -1.88 116.94 121.05 2h59 h PHE 6 Ca 0.28 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2h59 h PHE 6 Cb 0.28 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2h59 h PHE 6 CO -0.13 -0.16 0.51 -0.07 -2.23 0.00 0.00 178.31 176.24 2h59 h LEU 7 N -0.34 1.01 -0.36 0.59 3.38 0.10 -0.28 115.31 119.41 2h59 h LEU 7 Ca -0.03 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2h59 h LEU 7 Cb 0.26 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2h59 h LEU 7 CO 0.05 0.77 0.08 0.44 0.09 0.00 0.00 178.44 179.87 2h59 h ASP 8 N 1.17 0.03 -0.75 -0.43 3.45 -1.00 0.95 116.42 119.83 2h59 h ASP 8 Ca 0.30 0.06 -0.06 0.00 0.43 0.00 0.00 57.03 57.76 2h59 h ASP 8 Cb -0.06 0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 2h59 h ASP 8 CO -0.06 0.05 0.25 -0.07 -1.57 0.00 0.00 179.24 177.85 2h59 h LEU 9 N 0.21 1.09 -0.44 1.55 3.38 -0.68 -1.70 115.31 118.72 2h59 h LEU 9 Ca 0.17 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2h59 h LEU 9 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2h59 h LEU 9 CO -0.22 1.00 -0.04 0.25 0.09 0.00 0.00 178.44 179.52 2h59 h LEU 10 N 1.12 0.80 -0.89 1.67 5.85 -0.42 -2.24 115.31 121.19 2h59 h LEU 10 Ca 0.25 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 2h59 h LEU 10 Cb 0.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2h59 h LEU 10 CO -0.01 0.94 -0.53 0.78 -0.34 0.00 0.00 178.44 179.27 2h59 h ASN 11 N 0.64 0.05 1.06 1.25 2.35 -0.77 -3.23 115.58 116.93 2h59 h ASN 11 Ca 0.12 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2h59 h ASN 11 Cb 0.55 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2h59 h ASN 11 CO 0.03 0.58 -0.18 -0.62 -1.65 0.00 0.00 177.43 175.59 2h59 n GLU 12 N -3.91 0.13 -2.83 0.81 1.02 -0.65 -4.93 120.64 110.29 2h59 n GLU 12 Ca -0.02 0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 2h59 n GLU 12 Cb 0.55 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 2h59 n GLU 12 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2h59 s SER 13 N -3.70 7.30 0.22 1.62 0.15 -0.86 -4.97 113.70 113.45 2h59 s SER 13 Ca 0.11 1.57 0.03 0.00 0.70 0.00 0.00 55.95 58.36 2h59 s SER 13 Cb 0.16 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 62.12 2h59 s SER 13 CO 0.61 -0.13 1.52 0.08 1.20 0.00 0.00 173.24 176.51 2h59 h ARG 14 N 6.28 0.28 -2.91 5.44 0.11 -1.91 -3.44 114.38 118.23 2h59 h ARG 14 Ca -0.42 -0.20 -0.23 0.00 0.10 0.00 0.00 59.98 59.22 2h59 h ARG 14 Cb 1.21 0.04 -0.33 0.00 1.11 0.00 0.00 29.97 32.00 2h59 h ARG 14 CO 0.73 0.83 -0.55 -1.17 0.10 0.00 0.00 179.97 179.91 2h59 s LEU 15 N -7.89 -0.25 -0.09 0.08 1.98 -1.26 -4.99 118.68 106.25 2h59 s LEU 15 Ca -0.04 0.54 0.04 0.00 -2.89 0.00 0.00 54.13 51.77 2h59 s LEU 15 Cb 0.11 0.61 0.00 0.00 0.66 0.00 0.00 46.19 47.57 2h59 s LEU 15 CO 0.81 -0.24 -0.22 -0.89 -1.89 0.00 0.00 176.35 173.92 2h59 s THR 16 N 2.39 1.91 0.21 3.68 2.01 -1.26 -1.08 115.64 123.51 2h59 s THR 16 Ca 0.02 -0.93 0.10 0.00 0.31 0.00 0.00 61.69 61.19 2h59 s THR 16 Cb -0.12 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 2h59 s THR 16 CO -0.08 0.53 -0.20 0.68 -0.69 0.00 0.00 174.62 174.86 2h59 s VAL 17 N 0.37 2.16 0.01 3.82 -7.23 -0.32 -0.68 120.40 118.53 2h59 s VAL 17 Ca -0.18 -2.15 0.08 0.00 -1.81 0.00 0.00 61.98 57.92 2h59 s VAL 17 Cb -0.17 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2h59 s VAL 17 CO 0.08 -0.33 -0.23 0.42 -0.31 0.00 0.00 175.10 174.73 2h59 s THR 18 N -2.22 1.86 -0.15 5.32 -4.23 -0.92 -1.38 115.64 113.92 2h59 s THR 18 Ca 0.23 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2h59 s THR 18 Cb -0.05 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.24 2h59 s THR 18 CO 0.10 0.42 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.21 2h59 s LEU 19 N -0.81 1.92 0.17 4.79 2.96 -0.33 -0.06 118.68 127.32 2h59 s LEU 19 Ca 0.09 -0.55 0.11 0.00 -0.22 0.00 0.00 54.13 53.56 2h59 s LEU 19 Cb -0.09 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2h59 s LEU 19 CO 0.00 0.01 -0.21 0.42 -1.32 0.00 0.00 176.35 175.25 2h59 s THR 20 N 1.16 2.58 0.14 3.68 -4.23 0.66 -1.84 115.64 117.78 2h59 s THR 20 Ca -0.00 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 2h59 s THR 20 Cb -0.14 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 2h59 s THR 20 CO -0.07 -0.06 0.06 0.61 -0.54 0.00 0.00 174.62 174.61 2h59 n GLY 21 N 0.36 3.78 0.28 3.99 0.00 -0.68 -1.97 105.19 110.95 2h59 n GLY 21 Ca -0.13 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.09 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 1.25 1.22 -0.06 4.61 0.00 -1.79 -1.95 119.26 122.56 2h59 h ALA 22 Ca -0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2h59 h ALA 22 Cb 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2h59 h ALA 22 CO 0.17 0.09 0.06 0.78 0.00 0.00 0.00 179.25 180.35 2h59 h GLY 23 N 0.78 0.00 2.00 0.00 0.00 -1.24 -1.13 103.07 103.48 2h59 h GLY 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2h59 h GLY 23 CO 0.01 0.00 0.00 1.19 0.00 0.00 0.00 176.54 177.74 2h59 h ILE 24 N 0.00 0.00 -0.01 2.60 2.10 -1.48 -3.18 117.51 117.54 2h59 h ILE 24 Ca 0.03 -0.39 0.00 0.00 1.08 0.00 0.00 64.86 65.57 2h59 h ILE 24 Cb 0.15 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 2h59 h ILE 24 CO -0.00 0.00 -0.34 -1.20 -1.08 0.00 0.00 178.15 175.53 2h59 n SER 25 N -2.60 1.46 -0.32 2.19 7.64 -0.45 -4.43 113.62 117.11 2h59 n SER 25 Ca 0.02 -1.23 0.04 0.00 1.01 0.00 0.00 58.87 58.71 2h59 n SER 25 Cb 0.29 0.52 0.23 0.00 -1.01 0.00 0.00 64.21 64.23 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 1.49 1.07 0.00 0.44 1.35 -1.49 -0.37 112.91 115.41 2h59 h THR 26 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2h59 h THR 26 Cb 0.49 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 2h59 h THR 26 CO 0.00 0.19 0.00 -0.65 -0.25 0.00 0.00 175.52 174.81 2h59 h PRO 27 N 1.06 0.00 -0.09 4.72 0.11 -1.78 0.14 132.00 136.16 2h59 h PRO 27 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 2h59 h PRO 27 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2h59 h PRO 27 CO -0.15 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.07 2h59 n SER 28 N -2.43 1.18 0.00 -2.05 7.64 -0.16 -4.93 113.62 112.87 2h59 n SER 28 Ca -0.01 -1.57 0.00 0.00 1.01 0.00 0.00 58.87 58.31 2h59 n SER 28 Cb 0.11 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 1.06 0.75 3.63 0.23 0.00 0.48 -4.40 105.19 106.94 2h59 n GLY 29 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 5.05 0.71 -0.61 1.01 -1.14 -5.01 121.20 118.93 2h59 s ILE 30 Ca 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 60.65 61.47 2h59 s ILE 30 Cb 0.00 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.64 2h59 s ILE 30 CO 0.00 0.09 1.16 -2.16 0.00 0.00 0.00 174.94 174.03 2h59 s PRO 31 N 2.21 2.35 0.00 2.79 0.04 -1.26 -3.29 135.00 137.83 2h59 s PRO 31 Ca 0.23 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2h59 s PRO 31 Cb -0.16 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2h59 s PRO 31 CO 0.09 -1.64 0.00 -0.40 0.04 0.00 0.00 177.00 175.09 2h59 n ASP 32 N -2.71 0.00 -0.13 6.66 3.85 -1.26 -4.85 116.55 118.11 2h59 n ASP 32 Ca 0.12 -0.99 -0.22 0.00 -0.71 0.00 0.00 54.79 52.99 2h59 n ASP 32 Cb 0.51 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.17 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 -1.49 0.00 0.08 2.11 3.01 -1.26 0.25 117.46 120.17 2h59 n PHE 33 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.47 2h59 n PHE 33 Cb 0.00 -0.99 0.01 0.00 -0.01 0.00 0.00 39.48 38.49 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 -3.58 0.03 -0.89 -1.08 1.74 -1.26 -1.31 116.66 110.32 2h59 n ARG 34 Ca -0.48 -0.55 -0.29 0.00 -0.77 0.00 0.00 57.85 55.75 2h59 n ARG 34 Cb 0.95 -0.99 0.23 0.00 -1.02 0.00 0.00 32.46 31.63 2h59 n ARG 34 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2h59 s GLY 35 N -0.27 1.54 0.35 -0.13 0.00 -1.26 -4.81 107.32 102.74 2h59 s GLY 35 Ca 0.02 -0.61 0.10 0.00 0.00 0.00 0.00 44.72 44.24 2h59 s GLY 35 CO 0.03 0.19 1.83 -0.56 0.00 0.00 0.00 173.10 174.59 2h59 h PRO 36 N -2.55 0.63 -0.65 2.90 0.13 -1.98 0.82 132.00 131.30 2h59 h PRO 36 Ca -0.51 -0.04 -0.32 0.00 -0.87 0.00 0.00 66.00 64.26 2h59 h PRO 36 Cb 1.32 -0.14 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 2h59 h PRO 36 CO 0.44 0.41 0.26 0.09 -0.23 0.00 0.00 178.00 178.97 2h59 n ASN 37 N -4.62 3.25 -4.80 1.44 4.13 -1.26 -5.00 115.26 108.39 2h59 n ASN 37 Ca 0.20 -3.64 -0.31 0.00 1.68 0.00 0.00 54.58 52.51 2h59 n ASN 37 Cb 0.58 -0.73 0.05 0.00 -1.54 0.00 0.00 39.78 38.15 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 -1.88 1.75 0.32 7.41 0.00 0.28 -4.66 107.32 110.54 2h59 s GLY 38 Ca 0.51 0.19 0.06 0.00 0.00 0.00 0.00 44.72 45.47 2h59 s GLY 38 CO 0.06 0.51 1.83 -2.22 0.00 0.00 0.00 173.10 173.27 2h59 h ILE 39 N -0.64 0.81 0.00 0.90 2.04 -0.13 -2.59 117.51 117.92 2h59 h ILE 39 Ca -0.44 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2h59 h ILE 39 Cb 1.22 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2h59 h ILE 39 CO 0.55 0.15 0.00 -1.22 0.00 0.00 0.00 178.15 177.63 2h59 n TYR 40 N -4.64 0.00 0.08 1.37 0.53 -0.42 -0.72 117.16 113.35 2h59 n TYR 40 Ca 0.20 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.97 2h59 n TYR 40 Cb 0.48 -0.02 -0.05 0.00 -1.03 0.00 0.00 39.34 38.72 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 0.26 0.01 -0.72 1.79 -1.67 -3.39 116.57 112.85 2h59 h LYS 41 Ca 0.00 -0.31 -0.42 0.00 -2.18 0.00 0.00 60.65 57.74 2h59 h LYS 41 Cb 0.01 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 2h59 h LYS 41 CO 0.00 1.05 -2.41 1.17 -1.08 0.00 0.00 179.45 178.18 2h59 n LYS 42 N -3.64 0.62 -4.09 3.15 4.81 -0.79 -5.01 118.16 113.21 2h59 n LYS 42 Ca -0.05 0.24 -0.22 0.00 -0.87 0.00 0.00 58.31 57.41 2h59 n LYS 42 Cb 0.86 -1.53 -0.05 0.00 0.02 0.00 0.00 35.03 34.33 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 -2.51 3.00 0.57 5.64 1.51 0.10 -5.12 117.35 120.53 2h59 s TYR 43 Ca -0.36 -0.17 -0.09 0.00 -1.01 0.00 0.00 57.07 55.44 2h59 s TYR 43 Cb 0.12 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 2h59 s TYR 43 CO 0.56 0.47 0.94 0.45 -1.11 0.00 0.00 175.55 176.86 2h59 s SER 44 N -3.84 6.26 0.57 2.29 0.15 -1.26 -4.36 113.70 113.50 2h59 s SER 44 Ca 0.34 1.25 0.37 0.00 0.70 0.00 0.00 55.95 58.61 2h59 s SER 44 Cb -0.07 -2.39 1.80 0.00 -1.71 0.00 0.00 66.02 63.65 2h59 s SER 44 CO 0.24 -0.75 2.12 0.06 1.20 0.00 0.00 173.24 176.11 2h59 h GLN 45 N -0.07 0.00 0.00 5.44 -0.00 -1.97 -2.70 115.11 115.81 2h59 h GLN 45 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2h59 h GLN 45 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 2h59 h GLN 45 CO 0.62 0.00 0.00 0.27 -0.00 0.00 0.00 178.83 179.72 2h59 n ASN 46 N -2.98 0.68 0.29 0.06 2.04 -1.26 -2.05 115.26 112.05 2h59 n ASN 46 Ca -0.01 0.70 0.17 0.00 -0.44 0.00 0.00 54.58 55.00 2h59 n ASN 46 Cb 0.18 -0.83 0.90 0.00 -2.53 0.00 0.00 39.78 37.50 2h59 n ASN 46 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 2h59 h VAL 47 N 0.00 0.29 -0.61 3.53 -1.51 -1.87 -2.08 116.25 113.99 2h59 h VAL 47 Ca 0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 2h59 h VAL 47 Cb 0.28 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 2h59 h VAL 47 CO 0.00 0.04 0.00 0.49 -1.23 0.00 0.00 177.57 176.87 2h59 n PHE 48 N -3.40 1.28 -2.87 5.19 3.72 -0.87 -4.81 117.46 115.70 2h59 n PHE 48 Ca -0.02 -0.60 -0.41 0.00 -0.05 0.00 0.00 57.45 56.37 2h59 n PHE 48 Cb 0.17 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.49 2h59 n PHE 48 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2h59 s ASP 49 N -1.00 7.24 0.25 4.37 1.01 -0.78 0.21 116.67 127.95 2h59 s ASP 49 Ca 0.48 1.49 -0.06 0.00 0.71 0.00 0.00 52.55 55.17 2h59 s ASP 49 Cb 0.30 -2.50 0.26 0.00 1.01 0.00 0.00 42.92 41.98 2h59 s ASP 49 CO 0.24 -0.14 1.89 -0.29 0.21 0.00 0.00 175.17 177.08 2h59 h ILE 50 N 4.58 1.25 -0.49 0.77 6.09 -1.71 -0.47 117.51 127.53 2h59 h ILE 50 Ca -0.42 -0.58 -0.05 0.00 -1.37 0.00 0.00 64.86 62.44 2h59 h ILE 50 Cb 1.21 -0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.46 2h59 h ILE 50 CO 0.74 0.27 0.10 -2.24 -3.07 0.00 0.00 178.15 173.95 2h59 h ASP 51 N 1.27 0.75 -0.45 2.19 3.04 -1.93 -1.52 116.42 119.77 2h59 h ASP 51 Ca 0.33 -0.25 -0.04 0.00 -3.24 0.00 0.00 57.03 53.82 2h59 h ASP 51 Cb -0.03 -0.20 -0.02 0.00 -1.04 0.00 0.00 39.33 38.04 2h59 h ASP 51 CO -0.06 0.81 0.13 0.15 -2.04 0.00 0.00 179.24 178.23 2h59 h PHE 52 N 0.67 0.79 0.27 4.15 3.57 -1.77 0.51 116.94 125.13 2h59 h PHE 52 Ca 0.15 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2h59 h PHE 52 Cb 0.36 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2h59 h PHE 52 CO 0.02 0.66 -0.13 0.35 -2.23 0.00 0.00 178.31 176.99 2h59 h PHE 53 N 0.75 -0.33 -0.35 0.41 3.57 -0.71 0.20 116.94 120.47 2h59 h PHE 53 Ca 0.17 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 2h59 h PHE 53 Cb 0.26 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2h59 h PHE 53 CO 0.01 -0.12 -0.23 1.88 -2.23 0.00 0.00 178.31 177.62 2h59 h TYR 54 N -0.49 0.79 -0.77 0.41 0.05 -1.09 -1.11 116.97 114.77 2h59 h TYR 54 Ca -0.04 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.52 2h59 h TYR 54 Cb 0.36 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 2h59 h TYR 54 CO -0.02 0.87 0.30 0.77 -1.05 0.00 0.00 178.16 179.02 2h59 h SER 55 N 0.61 1.07 -1.08 3.88 0.02 0.11 -3.39 113.55 114.76 2h59 h SER 55 Ca 0.08 -0.17 -0.38 0.00 -0.84 0.00 0.00 61.79 60.49 2h59 h SER 55 Cb 0.72 -0.28 -0.28 0.00 0.14 0.00 0.00 62.40 62.70 2h59 h SER 55 CO 0.06 0.95 -0.84 1.41 -1.14 0.00 0.00 176.83 177.26 2h59 n HIS 56 N -4.28 -1.38 -0.22 3.45 8.25 0.69 -5.01 115.22 116.73 2h59 n HIS 56 Ca 0.07 -2.95 -0.05 0.00 -0.26 0.00 0.00 57.72 54.53 2h59 n HIS 56 Cb 0.19 0.53 0.06 0.00 1.12 0.00 0.00 29.99 31.88 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 3.30 0.77 -1.33 -0.41 0.13 -1.36 -1.02 132.00 132.08 2h59 h PRO 57 Ca -0.00 -0.05 0.38 0.00 -0.87 0.00 0.00 66.00 65.47 2h59 h PRO 57 Cb 1.01 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.91 2h59 h PRO 57 CO 0.35 0.51 0.95 1.05 -0.23 0.00 0.00 178.00 180.64 2h59 h GLU 58 N 0.79 0.00 -0.02 0.86 9.09 -1.86 0.36 114.58 123.80 2h59 h GLU 58 Ca 0.25 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.63 2h59 h GLU 58 Cb -0.01 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 2h59 h GLU 58 CO -0.09 0.00 -0.09 0.93 0.05 0.00 0.00 179.01 179.82 2h59 h GLU 59 N 0.00 0.09 -0.08 1.06 4.39 -1.53 -2.51 114.58 116.00 2h59 h GLU 59 Ca 0.63 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 60.30 2h59 h GLU 59 Cb 2.53 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 31.14 2h59 h GLU 59 CO -0.01 0.74 -0.26 0.35 -1.16 0.00 0.00 179.01 178.67 2h59 h PHE 60 N -0.54 -0.70 -0.04 4.33 3.57 -0.98 -2.25 116.94 120.33 2h59 h PHE 60 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2h59 h PHE 60 Cb 0.76 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 2h59 h PHE 60 CO 0.16 -0.35 0.04 1.88 -2.23 0.00 0.00 178.31 177.81 2h59 h TYR 61 N -0.35 0.00 -0.17 0.41 0.05 -1.39 0.29 116.97 115.81 2h59 h TYR 61 Ca 0.09 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 2h59 h TYR 61 Cb 0.48 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 2h59 h TYR 61 CO -0.33 0.00 -0.08 -0.09 -1.05 0.00 0.00 178.16 176.60 2h59 h ARG 62 N 0.00 0.35 -0.52 4.88 2.43 -1.10 -3.00 114.38 117.41 2h59 h ARG 62 Ca 0.02 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2h59 h ARG 62 Cb 0.09 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2h59 h ARG 62 CO -0.00 0.66 0.32 0.35 -1.51 0.00 0.00 179.97 179.79 2h59 h PHE 63 N 0.02 0.60 -0.97 2.20 3.57 -0.44 -2.99 116.94 118.93 2h59 h PHE 63 Ca 0.04 0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.81 2h59 h PHE 63 Cb 0.56 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 2h59 h PHE 63 CO 0.07 0.35 0.66 0.00 -2.23 0.00 0.00 178.31 177.15 2h59 h ALA 64 N 1.23 2.54 -0.19 2.41 0.00 -0.38 0.11 119.26 124.99 2h59 h ALA 64 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2h59 h ALA 64 Cb 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2h59 h ALA 64 CO -0.09 -0.85 -0.07 0.87 0.00 0.00 0.00 179.25 179.11 2h59 h LYS 65 N 0.22 0.29 0.02 0.00 1.79 -1.45 0.07 116.57 117.50 2h59 h LYS 65 Ca 0.50 -0.06 -0.37 0.00 -2.18 0.00 0.00 60.65 58.54 2h59 h LYS 65 Cb 1.57 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 32.11 2h59 h LYS 65 CO -0.13 0.38 -2.29 0.39 -1.08 0.00 0.00 179.45 176.72 2h59 n GLU 66 N -4.31 0.68 0.00 3.15 -0.58 -0.10 -4.40 120.64 115.08 2h59 n GLU 66 Ca -0.00 0.14 0.10 0.00 -0.42 0.00 0.00 57.16 56.98 2h59 n GLU 66 Cb 0.24 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 29.47 2h59 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2h59 n GLY 67 N 1.99 -0.42 1.69 0.62 0.00 0.20 -4.66 105.19 104.61 2h59 n GLY 67 Ca -0.37 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.70 0.39 -0.37 -0.61 5.41 -0.55 -4.90 119.36 118.04 2h59 n ILE 68 Ca 0.07 0.13 0.03 0.00 1.00 0.00 0.00 62.75 63.98 2h59 n ILE 68 Cb 0.40 -0.84 0.18 0.00 -0.71 0.00 0.00 39.64 38.66 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 1.19 -0.27 1.39 0.04 -1.27 -0.44 116.94 117.58 2h59 h PHE 69 Ca 0.00 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.88 2h59 h PHE 69 Cb 0.00 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.75 2h59 h PHE 69 CO 0.00 0.60 0.34 -1.35 -0.60 0.00 0.00 178.31 177.30 2h59 h PRO 70 N 1.15 0.00 -0.56 1.51 0.11 -1.81 -1.81 132.00 130.59 2h59 h PRO 70 Ca 0.44 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.71 2h59 h PRO 70 Cb 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 2h59 h PRO 70 CO -0.18 0.00 0.48 0.52 -0.21 0.00 0.00 178.00 178.60 2h59 h MET 71 N 0.00 0.00 0.00 1.05 2.86 -1.42 -1.08 114.93 116.34 2h59 h MET 71 Ca 0.13 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2h59 h MET 71 Cb 0.80 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 2h59 h MET 71 CO -0.00 0.00 -0.13 -0.07 1.06 0.00 0.00 176.91 177.77 2h59 h LEU 72 N 0.00 0.00 0.00 1.22 3.38 -1.51 -2.38 115.31 116.02 2h59 h LEU 72 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2h59 h LEU 72 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2h59 h LEU 72 CO -0.00 0.13 -0.60 0.00 0.09 0.00 0.00 178.44 178.06 2h59 n GLN 73 N -3.61 0.11 -1.55 1.13 6.02 -0.41 -4.94 117.38 114.13 2h59 n GLN 73 Ca -0.02 0.02 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 2h59 n GLN 73 Cb 0.26 -1.56 0.07 0.00 1.02 0.00 0.00 30.24 30.03 2h59 n GLN 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2h59 s ALA 74 N -3.06 2.37 0.10 -1.58 0.00 -0.90 -5.07 121.76 113.62 2h59 s ALA 74 Ca 0.09 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.56 2h59 s ALA 74 Cb 0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2h59 s ALA 74 CO 0.72 -1.49 -0.17 0.15 0.00 0.00 0.00 175.76 174.97 2h59 s LYS 75 N -4.41 1.01 0.70 0.00 1.02 -1.26 -5.06 119.74 111.73 2h59 s LYS 75 Ca 0.65 -1.14 -0.16 0.00 0.02 0.00 0.00 55.97 55.34 2h59 s LYS 75 Cb -0.19 -1.06 -0.00 0.00 -0.52 0.00 0.00 37.83 36.05 2h59 s LYS 75 CO 0.47 0.23 1.02 -2.30 -0.92 0.00 0.00 175.35 173.85 2h59 n PRO 76 N 0.92 0.62 -3.66 -1.68 -0.02 -1.26 -4.66 135.00 125.27 2h59 n PRO 76 Ca -0.18 0.27 -0.23 0.00 -2.02 0.00 0.00 63.50 61.33 2h59 n PRO 76 Cb 0.55 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.64 2.66 0.25 2.55 0.23 -1.26 -4.98 115.26 113.08 2h59 n ASN 77 Ca 0.14 -2.65 0.09 0.00 -0.53 0.00 0.00 54.58 51.62 2h59 n ASN 77 Cb 0.49 0.06 0.64 0.00 -2.08 0.00 0.00 39.78 38.89 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 -0.73 -4.53 5.85 -1.94 -1.41 115.31 112.55 2h59 h LEU 78 Ca -0.31 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 2h59 h LEU 78 Cb 1.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2h59 h LEU 78 CO 0.49 0.09 -0.14 0.00 -0.34 0.00 0.00 178.44 178.54 2h59 h ALA 79 N 1.91 0.92 -0.60 1.25 0.00 -1.89 0.15 119.26 121.00 2h59 h ALA 79 Ca -0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2h59 h ALA 79 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2h59 h ALA 79 CO 0.01 0.62 0.00 0.45 0.00 0.00 0.00 179.25 180.34 2h59 h HIS 80 N 0.73 1.16 -0.39 0.00 3.86 -1.60 -2.26 115.15 116.64 2h59 h HIS 80 Ca 0.12 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 2h59 h HIS 80 Cb 0.65 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 2h59 h HIS 80 CO 0.04 1.02 0.13 0.28 0.86 0.00 0.00 177.93 180.25 2h59 h VAL 81 N 0.96 1.21 -0.45 2.45 2.07 -1.15 -2.03 116.25 119.32 2h59 h VAL 81 Ca 0.17 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.08 2h59 h VAL 81 Cb 0.56 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 2h59 h VAL 81 CO 0.03 0.24 0.04 0.25 0.02 0.00 0.00 177.57 178.16 2h59 h LEU 82 N 0.49 -0.09 -0.74 2.57 5.85 -0.55 -0.83 115.31 122.02 2h59 h LEU 82 Ca 0.13 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 2h59 h LEU 82 Cb 0.25 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2h59 h LEU 82 CO -0.00 -0.01 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.97 2h59 h LEU 83 N 0.16 0.91 -0.74 2.25 3.38 -1.04 0.72 115.31 120.95 2h59 h LEU 83 Ca 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2h59 h LEU 83 Cb 0.31 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2h59 h LEU 83 CO -0.33 0.99 0.35 0.00 0.09 0.00 0.00 178.44 179.54 2h59 h ALA 84 N 1.10 0.96 -0.45 1.53 0.00 -0.92 -1.28 119.26 120.19 2h59 h ALA 84 Ca 0.15 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2h59 h ALA 84 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2h59 h ALA 84 CO 0.03 0.53 -0.24 0.87 0.00 0.00 0.00 179.25 180.44 2h59 h LYS 85 N 1.04 0.95 -0.75 0.00 1.79 -0.70 -1.95 116.57 116.96 2h59 h LYS 85 Ca 0.25 -0.42 -0.04 0.00 -2.18 0.00 0.00 60.65 58.26 2h59 h LYS 85 Cb 0.13 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2h59 h LYS 85 CO -0.03 1.08 0.30 -0.07 -1.08 0.00 0.00 179.45 179.65 2h59 h LEU 86 N 0.81 1.04 -0.52 2.94 3.38 -0.77 -1.57 115.31 120.63 2h59 h LEU 86 Ca 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2h59 h LEU 86 Cb 0.82 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2h59 h LEU 86 CO 0.07 0.94 0.28 -0.08 0.09 0.00 0.00 178.44 179.73 2h59 h GLU 87 N 1.09 0.73 -0.95 1.13 4.81 -1.12 0.16 114.58 120.42 2h59 h GLU 87 Ca 0.25 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 2h59 h GLU 87 Cb 0.22 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 2h59 h GLU 87 CO -0.02 0.58 0.62 1.49 -0.73 0.00 0.00 179.01 180.95 2h59 h GLU 88 N 0.70 1.08 0.00 1.92 4.81 -1.03 -0.83 114.58 121.23 2h59 h GLU 88 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2h59 h GLU 88 Cb 0.07 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2h59 h GLU 88 CO -0.03 0.72 0.00 1.63 -0.73 0.00 0.00 179.01 180.60 2h59 n LYS 89 N -4.49 0.98 -1.87 1.92 5.02 -0.62 -4.89 118.16 114.21 2h59 n LYS 89 Ca 0.14 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.31 2h59 n LYS 89 Cb 0.18 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 0.94 0.50 0.24 0.72 0.00 -0.32 -4.92 105.19 102.34 2h59 n GLY 90 Ca 0.23 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.67 1.47 -3.96 0.99 4.77 0.52 -4.83 117.00 114.29 2h59 n LEU 91 Ca -0.14 -0.60 -0.12 0.00 -0.03 0.00 0.00 56.01 55.12 2h59 n LEU 91 Cb 0.53 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2h59 n LEU 91 CO 0.18 0.31 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.54 2h59 s ILE 92 N -2.74 0.25 -0.02 -0.08 1.01 -1.16 -4.65 121.20 113.80 2h59 s ILE 92 Ca 0.13 -0.55 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 2h59 s ILE 92 Cb 0.17 -0.29 -0.33 0.00 0.01 0.00 0.00 42.46 42.02 2h59 s ILE 92 CO 0.72 -0.20 0.86 -0.08 0.00 0.00 0.00 174.94 176.23 2h59 h GLU 93 N 5.33 0.43 -2.80 2.79 4.57 -1.23 -3.39 114.58 120.28 2h59 h GLU 93 Ca -0.30 -0.73 -0.04 0.00 -1.18 0.00 0.00 59.36 57.12 2h59 h GLU 93 Cb 1.20 0.27 -0.14 0.00 -0.16 0.00 0.00 28.75 29.92 2h59 h GLU 93 CO 0.46 1.35 0.14 0.00 -1.18 0.00 0.00 179.01 179.78 2h59 s ALA 94 N -2.54 -1.51 -0.24 2.92 0.00 -1.26 -4.78 121.76 114.36 2h59 s ALA 94 Ca -0.13 0.62 -0.07 0.00 0.00 0.00 0.00 51.96 52.39 2h59 s ALA 94 Cb 0.04 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 2h59 s ALA 94 CO 0.88 -0.63 0.04 0.08 0.00 0.00 0.00 175.76 176.14 2h59 s VAL 95 N -2.99 4.12 -0.25 0.00 1.01 0.04 -2.16 120.40 120.17 2h59 s VAL 95 Ca -0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2h59 s VAL 95 Cb -0.00 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2h59 s VAL 95 CO -0.06 0.36 0.15 -0.63 0.00 0.00 0.00 175.10 174.92 2h59 s ILE 96 N 1.51 5.12 0.02 2.22 1.01 0.92 -0.32 121.20 131.68 2h59 s ILE 96 Ca 0.06 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.88 2h59 s ILE 96 Cb -0.15 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2h59 s ILE 96 CO 0.02 0.32 -0.21 0.28 0.00 0.00 0.00 174.94 175.35 2h59 s THR 97 N 1.36 1.70 -2.04 2.92 -1.32 -0.26 -0.25 115.64 117.74 2h59 s THR 97 Ca 0.07 -1.10 0.27 0.00 -1.21 0.00 0.00 61.69 59.71 2h59 s THR 97 Cb -0.15 -1.45 0.33 0.00 -1.51 0.00 0.00 72.50 69.73 2h59 s THR 97 CO 0.06 0.32 1.58 0.00 -2.21 0.00 0.00 174.62 174.37 2h59 n GLN 98 N 2.11 1.17 -3.46 7.08 6.02 -0.83 -1.14 117.38 128.32 2h59 n GLN 98 Ca -0.16 -0.72 -0.34 0.00 -0.01 0.00 0.00 57.00 55.77 2h59 n GLN 98 Cb 0.53 -1.49 -0.05 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 -2.33 6.69 0.00 1.08 0.01 -1.26 -4.60 114.94 114.52 2h59 s ASN 99 Ca 0.28 0.91 0.23 0.00 -0.71 0.00 0.00 52.86 53.57 2h59 s ASN 99 Cb 0.20 -2.22 0.20 0.00 0.41 0.00 0.00 41.25 39.84 2h59 s ASN 99 CO 0.46 0.06 1.24 2.30 -1.51 0.00 0.00 177.10 179.66 2h59 n ILE 100 N 0.48 0.05 1.50 0.60 -5.35 -1.26 -4.66 119.36 110.73 2h59 n ILE 100 Ca -0.04 -0.53 0.14 0.00 -0.27 0.00 0.00 62.75 62.05 2h59 n ILE 100 Cb 0.52 1.43 0.76 0.00 -1.74 0.00 0.00 39.64 40.61 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 1.31 0.00 -0.72 7.28 5.68 -1.26 -0.79 116.55 128.05 2h59 n ASP 101 Ca 0.14 -0.43 -0.09 0.00 -0.50 0.00 0.00 54.79 53.91 2h59 n ASP 101 Cb 0.58 -0.17 -0.04 0.00 -1.14 0.00 0.00 41.12 40.35 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 -1.17 -1.74 0.19 0.11 5.12 -1.26 -4.85 116.66 113.06 2h59 n ARG 102 Ca 0.16 0.80 0.05 0.00 -1.93 0.00 0.00 57.85 56.94 2h59 n ARG 102 Cb 0.17 -5.18 0.36 0.00 -1.16 0.00 0.00 32.46 26.64 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 -0.23 0.55 3.38 -1.95 -1.69 115.31 115.36 2h59 h LEU 103 Ca -0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 2h59 h LEU 103 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2h59 h LEU 103 CO 0.27 0.37 -0.05 0.45 0.09 0.00 0.00 178.44 179.58 2h59 h HIS 104 N 0.00 0.50 -0.46 1.13 3.86 -1.94 -1.80 115.15 116.44 2h59 h HIS 104 Ca -0.00 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 2h59 h HIS 104 Cb 0.84 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 2h59 h HIS 104 CO 0.00 0.67 0.17 1.96 0.86 0.00 0.00 177.93 181.59 2h59 h GLN 105 N 0.18 0.70 -0.14 2.45 7.50 -1.73 0.03 115.11 124.11 2h59 h GLN 105 Ca 0.06 -0.14 0.04 0.00 0.50 0.00 0.00 58.65 59.11 2h59 h GLN 105 Cb 0.50 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.92 2h59 h GLN 105 CO 0.02 0.65 0.10 0.00 -1.50 0.00 0.00 178.83 178.10 2h59 h ARG 106 N 0.61 0.00 -0.00 1.46 3.08 -1.29 -0.10 114.38 118.13 2h59 h ARG 106 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2h59 h ARG 106 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2h59 h ARG 106 CO -0.01 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.88 2h59 n ALA 107 N -2.54 2.56 0.00 0.04 0.00 -0.68 -4.92 120.51 114.98 2h59 n ALA 107 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2h59 n ALA 107 Cb 0.23 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.21 0.83 3.76 0.00 0.00 -0.05 -4.79 105.19 106.15 2h59 n GLY 108 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.28 7.06 -0.21 1.61 0.01 -0.03 -4.92 113.70 114.94 2h59 s SER 109 Ca 0.00 2.43 -0.09 0.00 1.31 0.00 0.00 55.95 59.60 2h59 s SER 109 Cb 0.00 -2.63 -0.19 0.00 0.21 0.00 0.00 66.02 63.40 2h59 s SER 109 CO 0.00 -0.31 0.04 0.29 0.41 0.00 0.00 173.24 173.66 2h59 n LYS 110 N 1.17 0.65 -3.56 12.44 4.76 -1.26 -4.41 118.16 127.95 2h59 n LYS 110 Ca -0.00 0.31 -0.41 0.00 -2.87 0.00 0.00 58.31 55.34 2h59 n LYS 110 Cb 0.44 -1.63 -0.07 0.00 -1.84 0.00 0.00 35.03 31.93 2h59 n LYS 110 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2h59 s LYS 111 N -2.49 2.95 -0.19 1.97 2.20 -1.26 -5.01 119.74 117.92 2h59 s LYS 111 Ca -0.30 -2.45 0.00 0.00 -0.36 0.00 0.00 55.97 52.86 2h59 s LYS 111 Cb 0.09 -4.01 0.02 0.00 -1.51 0.00 0.00 37.83 32.41 2h59 s LYS 111 CO 0.63 -1.22 -0.18 0.08 -0.36 0.00 0.00 175.35 174.30 2h59 s VAL 112 N 0.13 2.26 -0.38 4.02 1.01 -1.26 -0.78 120.40 125.40 2h59 s VAL 112 Ca 0.16 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2h59 s VAL 112 Cb -0.17 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2h59 s VAL 112 CO -0.05 0.52 0.25 -0.63 0.00 0.00 0.00 175.10 175.19 2h59 s ILE 113 N 1.32 5.00 -0.63 2.22 1.01 0.57 -4.99 121.20 125.70 2h59 s ILE 113 Ca 0.05 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.87 2h59 s ILE 113 Cb -0.13 -3.74 0.10 0.00 0.01 0.00 0.00 42.46 38.70 2h59 s ILE 113 CO -0.11 -0.21 0.80 -1.61 0.00 0.00 0.00 174.94 173.80 2h59 s GLU 114 N 1.64 3.10 0.39 2.79 2.02 -1.26 -1.10 118.70 126.28 2h59 s GLU 114 Ca 0.04 -1.24 0.28 0.00 0.02 0.00 0.00 54.97 54.07 2h59 s GLU 114 Cb -0.19 -4.29 1.07 0.00 0.10 0.00 0.00 34.13 30.82 2h59 s GLU 114 CO 0.09 -1.63 1.82 -0.07 0.02 0.00 0.00 175.26 175.49 2h59 h LEU 115 N 10.33 0.00 -1.85 1.80 3.38 -1.47 -3.27 115.31 124.23 2h59 h LEU 115 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2h59 h LEU 115 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2h59 h LEU 115 CO 1.12 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.65 2h59 n ALA 116 N -1.93 2.32 0.00 1.53 0.00 -1.26 -4.51 120.51 116.66 2h59 n ALA 116 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2h59 n ALA 116 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.05 -1.25 3.21 0.00 0.00 -1.23 -1.08 105.19 104.89 2h59 n GLY 117 Ca 0.03 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 0.04 0.27 1.61 2.20 -0.68 -4.43 114.94 109.95 2h59 s ASN 118 Ca 0.00 -0.48 0.25 0.00 -0.94 0.00 0.00 52.86 51.69 2h59 s ASN 118 Cb 0.00 0.34 0.96 0.00 -2.00 0.00 0.00 41.25 40.54 2h59 s ASN 118 CO 0.00 -0.67 1.75 1.62 -2.94 0.00 0.00 177.10 176.85 2h59 h VAL 119 N 2.99 0.00 0.00 3.54 3.04 -1.27 -3.32 116.25 121.23 2h59 h VAL 119 Ca -0.33 -0.33 -0.19 0.00 -1.01 0.00 0.00 66.70 64.84 2h59 h VAL 119 Cb 1.20 1.16 -0.03 0.00 -2.01 0.00 0.00 31.29 31.61 2h59 h VAL 119 CO 0.52 0.00 -1.44 -0.33 -1.01 0.00 0.00 177.57 175.30 2h59 h GLU 120 N 0.00 0.00 -5.90 4.17 3.07 -1.94 -3.43 114.58 110.55 2h59 h GLU 120 Ca 0.00 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.19 2h59 h GLU 120 Cb 0.48 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.24 2h59 h GLU 120 CO 0.00 0.34 -0.62 -1.21 -1.40 0.00 0.00 179.01 176.12 2h59 s GLU 121 N -2.86 3.07 0.14 2.33 2.02 -1.25 -1.44 118.70 120.72 2h59 s GLU 121 Ca -0.03 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.57 2h59 s GLU 121 Cb 0.09 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 2h59 s GLU 121 CO 0.81 0.66 -0.00 0.71 0.02 0.00 0.00 175.26 177.46 2h59 s TYR 122 N -0.76 1.04 -0.14 1.61 2.02 -0.19 -0.45 117.35 120.48 2h59 s TYR 122 Ca 0.12 -1.05 -0.30 0.00 -0.37 0.00 0.00 57.07 55.48 2h59 s TYR 122 Cb -0.12 -0.60 0.10 0.00 -0.40 0.00 0.00 41.96 40.95 2h59 s TYR 122 CO 0.02 -0.27 0.85 1.52 -1.57 0.00 0.00 175.55 176.10 2h59 s TYR 123 N -3.75 -0.53 0.38 2.71 -0.85 -0.09 -1.21 117.35 114.02 2h59 s TYR 123 Ca 0.21 0.98 -0.26 0.00 -0.52 0.00 0.00 57.07 57.48 2h59 s TYR 123 Cb 0.06 0.41 -0.09 0.00 0.38 0.00 0.00 41.96 42.73 2h59 s TYR 123 CO 0.01 -0.44 1.22 0.00 -1.52 0.00 0.00 175.55 174.82 2h59 h VAL 125 N 2.54 0.84 0.00 0.00 2.07 -1.54 -2.61 116.25 117.56 2h59 h VAL 125 Ca -0.49 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2h59 h VAL 125 Cb 1.23 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2h59 h VAL 125 CO 0.63 0.27 -0.08 0.03 0.02 0.00 0.00 177.57 178.44 2h59 h ARG 126 N 0.00 0.00 -0.54 1.57 3.08 -1.92 -3.40 114.38 113.17 2h59 h ARG 126 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2h59 h ARG 126 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2h59 h ARG 126 CO 0.04 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.94 2h59 n GLU 128 N 1.35 -3.28 -1.97 0.00 1.02 -0.98 -4.93 120.64 111.86 2h59 n GLU 128 Ca 0.21 0.70 -0.42 0.00 -0.02 0.00 0.00 57.16 57.63 2h59 n GLU 128 Cb 0.55 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.52 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 -5.53 4.23 0.31 3.49 2.20 -1.26 -4.67 119.74 118.51 2h59 s LYS 129 Ca 0.21 2.32 -0.25 0.00 -0.36 0.00 0.00 55.97 57.89 2h59 s LYS 129 Cb -0.10 -3.17 -0.10 0.00 -1.51 0.00 0.00 37.83 32.96 2h59 s LYS 129 CO 0.26 -0.58 0.91 0.15 -0.36 0.00 0.00 175.35 175.72 2h59 s LYS 130 N 1.10 4.52 0.02 4.03 1.02 -1.26 -0.28 119.74 128.89 2h59 s LYS 130 Ca 0.69 1.25 -0.02 0.00 0.02 0.00 0.00 55.97 57.91 2h59 s LYS 130 Cb -0.43 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2h59 s LYS 130 CO 0.31 0.30 0.01 0.71 -0.92 0.00 0.00 175.35 175.76 2h59 s TYR 131 N -1.60 0.23 0.50 3.18 2.02 -0.35 -4.92 117.35 116.41 2h59 s TYR 131 Ca 0.49 -0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.66 2h59 s TYR 131 Cb -0.18 -0.17 -0.02 0.00 -0.40 0.00 0.00 41.96 41.19 2h59 s TYR 131 CO 0.23 -0.23 0.79 0.95 -1.57 0.00 0.00 175.55 175.73 2h59 s THR 132 N -1.66 4.49 0.28 -0.71 -4.23 -1.26 -1.02 115.64 111.53 2h59 s THR 132 Ca -0.14 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.39 2h59 s THR 132 Cb -0.08 -3.72 0.23 0.00 1.34 0.00 0.00 72.50 70.27 2h59 s THR 132 CO -0.01 -0.68 1.92 1.62 -0.54 0.00 0.00 174.62 176.92 2h59 h VAL 133 N 0.16 1.23 -0.73 2.29 3.04 -1.51 -2.46 116.25 118.26 2h59 h VAL 133 Ca -0.47 -0.52 -0.03 0.00 -1.01 0.00 0.00 66.70 64.67 2h59 h VAL 133 Cb 1.22 0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 30.59 2h59 h VAL 133 CO 0.61 0.24 0.35 -0.33 -1.01 0.00 0.00 177.57 177.43 2h59 h GLU 134 N 1.11 1.04 -0.39 4.17 3.07 -1.94 -0.68 114.58 120.96 2h59 h GLU 134 Ca 0.29 -0.15 0.02 0.00 -0.50 0.00 0.00 59.36 59.02 2h59 h GLU 134 Cb -0.02 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.67 2h59 h GLU 134 CO -0.05 0.81 0.22 -0.44 -1.40 0.00 0.00 179.01 178.15 2h59 h ASP 135 N 1.04 0.35 -0.26 1.42 3.32 -1.87 -2.76 116.42 117.66 2h59 h ASP 135 Ca 0.25 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 2h59 h ASP 135 Cb 0.11 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2h59 h ASP 135 CO -0.03 0.25 -0.41 0.58 -1.72 0.00 0.00 179.24 177.91 2h59 h VAL 136 N 0.45 1.30 -0.85 -1.35 2.07 -1.03 -1.97 116.25 114.86 2h59 h VAL 136 Ca 0.16 -1.60 0.10 0.00 0.82 0.00 0.00 66.70 66.17 2h59 h VAL 136 Cb 0.02 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 2h59 h VAL 136 CO -0.08 0.51 0.50 0.40 0.02 0.00 0.00 177.57 178.92 2h59 h ILE 137 N 0.47 0.91 0.77 4.57 2.04 -1.16 -1.69 117.51 123.42 2h59 h ILE 137 Ca 0.02 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2h59 h ILE 137 Cb 1.00 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2h59 h ILE 137 CO 0.09 0.15 -0.37 0.50 0.00 0.00 0.00 178.15 178.52 2h59 h LYS 138 N 0.83 -1.00 -0.72 2.37 3.64 -1.35 -3.01 116.57 117.33 2h59 h LYS 138 Ca 0.41 0.07 0.21 0.00 -1.27 0.00 0.00 60.65 60.07 2h59 h LYS 138 Cb 0.38 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 2h59 h LYS 138 CO -0.25 -0.65 0.69 0.87 -2.27 0.00 0.00 179.45 177.84 2h59 h LYS 139 N -1.11 0.00 -0.05 1.90 1.57 -1.02 0.98 116.57 118.83 2h59 h LYS 139 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2h59 h LYS 139 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2h59 h LYS 139 CO 0.17 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.33 2h59 n LEU 140 N -3.76 0.80 -0.01 2.94 4.77 -0.67 -2.85 117.00 118.22 2h59 n LEU 140 Ca 0.15 -0.31 0.13 0.00 -0.03 0.00 0.00 56.01 55.95 2h59 n LEU 140 Cb 0.95 -0.03 0.39 0.00 -2.33 0.00 0.00 43.42 42.39 2h59 n LEU 140 CO 0.30 0.15 0.64 -0.62 -1.33 0.00 0.00 177.39 176.53 2h59 n GLU 141 N -0.30 0.05 -0.19 3.23 1.02 0.34 -4.29 120.64 120.49 2h59 n GLU 141 Ca 0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2h59 n GLU 141 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2h59 n GLU 141 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2h59 n SER 142 N -1.46 0.05 -3.57 1.62 3.41 -1.15 -5.11 113.62 107.42 2h59 n SER 142 Ca 0.06 -1.42 -0.06 0.00 -0.26 0.00 0.00 58.87 57.20 2h59 n SER 142 Cb 0.33 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2h59 n SER 142 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2h59 s SER 143 N -0.42 -0.23 0.01 4.04 0.15 -1.13 -5.07 113.70 111.04 2h59 s SER 143 Ca 0.00 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 2h59 s SER 143 Cb 0.00 0.23 -0.27 0.00 -1.71 0.00 0.00 66.02 64.28 2h59 s SER 143 CO 0.00 -0.36 0.88 0.44 1.20 0.00 0.00 173.24 175.40 2h59 h ASP 144 N 2.06 0.32 -3.63 5.45 3.32 -1.89 -3.39 116.42 118.66 2h59 h ASP 144 Ca -0.14 -0.45 -0.51 0.00 0.02 0.00 0.00 57.03 55.95 2h59 h ASP 144 Cb 1.19 -0.10 -0.32 0.00 0.22 0.00 0.00 39.33 40.31 2h59 h ASP 144 CO 0.26 1.37 -0.82 0.68 -1.72 0.00 0.00 179.24 179.02 2h59 s VAL 145 N -2.62 1.16 0.15 -1.35 -7.23 -1.26 -4.55 120.40 104.69 2h59 s VAL 145 Ca -0.08 -0.53 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 2h59 s VAL 145 Cb 0.07 -1.03 -0.07 0.00 0.56 0.00 0.00 36.38 35.91 2h59 s VAL 145 CO 0.85 0.35 1.03 -2.16 -0.31 0.00 0.00 175.10 174.86 2h59 s PRO 146 N 0.40 4.66 0.14 4.82 0.04 -1.26 -4.96 135.00 138.83 2h59 s PRO 146 Ca -0.09 1.58 0.10 0.00 0.04 0.00 0.00 61.00 62.63 2h59 s PRO 146 Cb -0.13 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2h59 s PRO 146 CO 0.03 0.17 -0.23 -0.51 0.04 0.00 0.00 177.00 176.50 2h59 s LEU 147 N -0.25 2.49 0.92 -3.56 2.01 -1.26 -1.28 118.68 117.76 2h59 s LEU 147 Ca 0.48 -0.70 -0.10 0.00 0.01 0.00 0.00 54.13 53.81 2h59 s LEU 147 Cb -0.26 -1.33 0.15 0.00 0.01 0.00 0.00 46.19 44.75 2h59 s LEU 147 CO 0.32 0.16 1.13 0.00 1.01 0.00 0.00 176.35 178.98 2h59 h ASP 149 N -1.87 0.00 0.00 0.00 3.32 -1.95 -3.09 116.42 112.84 2h59 h ASP 149 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2h59 h ASP 149 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2h59 h ASP 149 CO 0.44 0.94 -0.64 0.47 -1.72 0.00 0.00 179.24 178.73 2h59 n ASP 150 N -3.25 1.77 0.19 6.45 8.00 -1.26 -4.61 116.55 123.83 2h59 n ASP 150 Ca -0.04 0.52 0.08 0.00 0.71 0.00 0.00 54.79 56.06 2h59 n ASP 150 Cb 0.95 -0.81 0.13 0.00 -0.02 0.00 0.00 41.12 41.36 2h59 n ASP 150 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h59 n ASN 152 N -3.17 -4.09 -2.61 0.00 5.15 -1.17 -4.92 115.26 104.46 2h59 n ASN 152 Ca 0.03 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.93 2h59 n ASN 152 Cb 0.61 -3.00 0.05 0.00 -0.53 0.00 0.00 39.78 36.91 2h59 n ASN 152 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2h59 n SER 153 N -0.66 0.14 -4.76 1.20 2.88 -1.26 -4.23 113.62 106.93 2h59 n SER 153 Ca 0.00 -1.20 -0.41 0.00 -1.33 0.00 0.00 58.87 55.93 2h59 n SER 153 Cb 0.33 -0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.51 2h59 n SER 153 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2h59 s LEU 154 N 0.00 4.38 -0.16 2.46 2.96 -1.26 -1.05 118.68 126.01 2h59 s LEU 154 Ca 0.21 2.78 -0.10 0.00 -0.22 0.00 0.00 54.13 56.79 2h59 s LEU 154 Cb -0.01 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 2h59 s LEU 154 CO 0.15 -0.69 0.19 -0.63 -1.32 0.00 0.00 176.35 174.05 2h59 s ILE 155 N -0.69 5.39 0.17 6.68 1.01 -0.41 -1.33 121.20 132.02 2h59 s ILE 155 Ca 0.54 0.32 0.11 0.00 0.00 0.00 0.00 60.65 61.62 2h59 s ILE 155 Cb -0.42 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2h59 s ILE 155 CO 0.52 0.48 -0.24 0.00 0.00 0.00 0.00 174.94 175.70 2h59 s ARG 156 N -0.05 1.53 0.59 2.79 1.70 0.34 -4.76 118.95 121.08 2h59 s ARG 156 Ca 0.13 -1.44 -0.16 0.00 -0.47 0.00 0.00 55.73 53.79 2h59 s ARG 156 Cb -0.12 -1.89 -0.04 0.00 -0.57 0.00 0.00 34.95 32.33 2h59 s ARG 156 CO 0.02 0.42 1.06 -1.25 -1.08 0.00 0.00 175.30 174.47 2h59 s PRO 157 N -2.47 3.31 -1.38 3.89 0.04 -1.26 -0.91 135.00 136.22 2h59 s PRO 157 Ca 0.19 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.40 2h59 s PRO 157 Cb -0.09 -2.03 0.09 0.00 0.04 0.00 0.00 34.50 32.51 2h59 s PRO 157 CO 0.09 -0.82 2.38 -1.71 0.04 0.00 0.00 177.00 176.97 2h59 n ASN 158 N -1.96 7.36 -4.38 6.66 5.15 0.40 -4.85 115.26 123.64 2h59 n ASN 158 Ca 0.09 -3.02 -0.20 0.00 -0.60 0.00 0.00 54.58 50.85 2h59 n ASN 158 Cb 0.53 -1.44 -0.10 0.00 -0.53 0.00 0.00 39.78 38.24 2h59 n ASN 158 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2h59 s ILE 159 N -0.01 1.94 -0.32 -1.44 -4.36 -1.26 -1.68 121.20 114.06 2h59 s ILE 159 Ca 0.54 -2.27 -0.17 0.00 -0.26 0.00 0.00 60.65 58.49 2h59 s ILE 159 Cb 0.16 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 2h59 s ILE 159 CO -0.07 -0.54 0.48 -0.69 0.24 0.00 0.00 174.94 174.36 2h59 s VAL 160 N -2.85 5.06 0.52 8.37 1.01 -0.24 -4.93 120.40 127.34 2h59 s VAL 160 Ca 0.24 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 2h59 s VAL 160 Cb -0.02 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 2h59 s VAL 160 CO 0.09 -0.09 0.94 -0.36 0.00 0.00 0.00 175.10 175.68 2h59 s PHE 161 N 2.31 3.52 0.30 5.22 0.08 -1.26 -5.00 117.98 123.14 2h59 s PHE 161 Ca 0.18 1.28 -0.29 0.00 0.12 0.00 0.00 56.93 58.22 2h59 s PHE 161 Cb -0.16 -2.66 -0.13 0.00 -0.57 0.00 0.00 43.02 39.50 2h59 s PHE 161 CO 0.12 -0.40 1.25 1.19 -0.10 0.00 0.00 175.22 177.28 2h59 n PHE 162 N -1.91 1.98 -0.34 0.36 3.72 0.13 -2.07 117.46 119.33 2h59 n PHE 162 Ca 0.05 0.56 0.00 0.00 -0.05 0.00 0.00 57.45 58.01 2h59 n PHE 162 Cb 0.54 -2.38 0.00 0.00 -0.94 0.00 0.00 39.48 36.70 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 1.29 1.14 3.81 1.37 0.00 -1.26 -2.10 105.19 109.45 2h59 n GLY 163 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.44 3.01 0.44 1.61 2.02 -0.88 -4.97 118.70 119.49 2h59 s GLU 164 Ca 0.00 -0.68 -0.24 0.00 0.02 0.00 0.00 54.97 54.06 2h59 s GLU 164 Cb 0.00 -2.77 -0.08 0.00 0.10 0.00 0.00 34.13 31.38 2h59 s GLU 164 CO 0.00 0.55 1.23 -0.80 0.02 0.00 0.00 175.26 176.26 2h59 s ASN 165 N -2.62 6.16 0.73 -0.19 0.02 -1.26 -4.86 114.94 112.93 2h59 s ASN 165 Ca 0.31 2.47 -0.11 0.00 -1.02 0.00 0.00 52.86 54.51 2h59 s ASN 165 Cb -0.12 -2.62 0.03 0.00 0.02 0.00 0.00 41.25 38.57 2h59 s ASN 165 CO 0.24 -0.93 1.08 -0.76 0.02 0.00 0.00 177.10 176.74 2h59 s LEU 166 N -2.81 3.10 0.17 0.60 1.02 -1.26 -4.96 118.68 114.54 2h59 s LEU 166 Ca 0.61 1.75 -0.34 0.00 0.02 0.00 0.00 54.13 56.18 2h59 s LEU 166 Cb -0.33 -4.51 -0.14 0.00 0.02 0.00 0.00 46.19 41.22 2h59 s LEU 166 CO 0.41 -1.77 1.52 -0.81 0.02 0.00 0.00 176.35 175.73 2h59 n PRO 167 N -3.28 2.02 0.02 1.29 -0.04 -1.26 -4.87 135.00 128.88 2h59 n PRO 167 Ca 0.09 0.73 -0.13 0.00 -0.04 0.00 0.00 63.50 64.14 2h59 n PRO 167 Cb 0.53 -2.46 -0.09 0.00 -0.04 0.00 0.00 33.50 31.44 2h59 n PRO 167 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2h59 h GLN 168 N 5.48 -0.06 -0.44 0.54 4.20 -1.99 -1.55 115.11 121.29 2h59 h GLN 168 Ca -0.45 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.13 2h59 h GLN 168 Cb 1.27 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 2h59 h GLN 168 CO 0.85 0.29 -0.24 -0.44 -0.67 0.00 0.00 178.83 178.62 2h59 h ASP 169 N -0.42 0.93 -0.26 1.46 3.45 -1.99 -1.65 116.42 117.94 2h59 h ASP 169 Ca -0.01 -0.36 -0.03 0.00 0.43 0.00 0.00 57.03 57.07 2h59 h ASP 169 Cb 0.38 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 2h59 h ASP 169 CO 0.01 1.12 0.06 0.00 -1.57 0.00 0.00 179.24 178.87 2h59 h ALA 170 N 0.94 0.34 -0.75 3.45 0.00 -1.92 -1.50 119.26 119.81 2h59 h ALA 170 Ca 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2h59 h ALA 170 Cb 0.80 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2h59 h ALA 170 CO 0.07 -0.00 0.33 1.25 0.00 0.00 0.00 179.25 180.89 2h59 h LEU 171 N 0.25 1.02 -0.47 0.00 5.85 -1.18 -0.66 115.31 120.12 2h59 h LEU 171 Ca 0.08 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2h59 h LEU 171 Cb 0.28 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2h59 h LEU 171 CO 0.00 0.90 0.26 -0.09 -0.34 0.00 0.00 178.44 179.17 2h59 h ARG 172 N 1.08 0.65 -0.56 1.25 2.43 -1.16 -0.38 114.38 117.69 2h59 h ARG 172 Ca 0.25 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2h59 h ARG 172 Cb 0.18 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2h59 h ARG 172 CO -0.03 0.51 0.28 1.49 -1.51 0.00 0.00 179.97 180.71 2h59 h GLU 173 N 0.62 0.81 -0.65 0.20 4.81 -1.07 -0.74 114.58 118.56 2h59 h GLU 173 Ca 0.17 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2h59 h GLU 173 Cb 0.04 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2h59 h GLU 173 CO -0.03 0.65 0.35 0.00 -0.73 0.00 0.00 179.01 179.26 2h59 h ALA 174 N 1.11 0.84 -0.47 2.92 0.00 -0.81 -0.45 119.26 122.41 2h59 h ALA 174 Ca 0.19 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2h59 h ALA 174 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2h59 h ALA 174 CO -0.03 0.36 -0.08 0.82 0.00 0.00 0.00 179.25 180.33 2h59 h ILE 175 N 0.89 1.27 0.73 0.00 2.04 -0.79 -0.58 117.51 121.07 2h59 h ILE 175 Ca 0.23 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 2h59 h ILE 175 Cb 0.05 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2h59 h ILE 175 CO -0.04 0.41 -0.35 1.23 0.00 0.00 0.00 178.15 179.40 2h59 h GLY 176 N 0.72 -1.02 0.26 5.37 0.00 -0.89 -0.96 103.07 106.54 2h59 h GLY 176 Ca 0.12 0.38 0.10 0.00 0.00 0.00 0.00 47.33 47.93 2h59 h GLY 176 CO 0.04 -0.37 0.11 1.41 0.00 0.00 0.00 176.54 177.73 2h59 h LEU 177 N -0.98 -0.00 -1.11 3.11 3.38 -1.12 -1.72 115.31 116.86 2h59 h LEU 177 Ca -0.10 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2h59 h LEU 177 Cb 0.75 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2h59 h LEU 177 CO 0.16 0.02 -0.01 0.28 0.09 0.00 0.00 178.44 178.98 2h59 h SER 178 N 0.25 0.58 1.10 -0.43 0.02 -0.86 -0.64 113.55 113.56 2h59 h SER 178 Ca 0.28 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 2h59 h SER 178 Cb 0.40 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2h59 h SER 178 CO -0.37 0.66 -0.59 0.77 -1.14 0.00 0.00 176.83 176.16 2h59 h SER 179 N 0.58 0.00 0.71 3.07 4.64 -0.52 -3.10 113.55 118.93 2h59 h SER 179 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2h59 h SER 179 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2h59 h SER 179 CO 0.01 0.59 -0.40 0.54 -0.87 0.00 0.00 176.83 176.71 2h59 n ARG 180 N -3.41 0.06 -2.35 4.77 1.74 -0.71 -4.78 116.66 111.99 2h59 n ARG 180 Ca 0.01 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.70 2h59 n ARG 180 Cb 0.70 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 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 -3.03 3.45 -0.57 7.54 0.00 -0.28 -4.77 121.76 124.10 2h59 s ALA 181 Ca 0.11 0.97 0.24 0.00 0.00 0.00 0.00 51.96 53.28 2h59 s ALA 181 Cb 0.17 -3.43 0.37 0.00 0.00 0.00 0.00 23.12 20.23 2h59 s ALA 181 CO 0.66 -0.40 1.39 0.66 0.00 0.00 0.00 175.76 178.07 2h59 h SER 182 N 5.36 0.00 -3.36 0.00 4.64 -1.45 -3.36 113.55 115.38 2h59 h SER 182 Ca -0.44 -0.12 -0.28 0.00 -0.47 0.00 0.00 61.79 60.48 2h59 h SER 182 Cb 1.21 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.97 2h59 h SER 182 CO 0.75 0.06 -0.64 -0.22 -0.87 0.00 0.00 176.83 175.91 2h59 s LEU 183 N -4.68 0.57 -0.07 5.97 2.96 -0.97 -0.70 118.68 121.77 2h59 s LEU 183 Ca 0.06 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.25 2h59 s LEU 183 Cb 0.12 0.21 -0.02 0.00 0.50 0.00 0.00 46.19 47.00 2h59 s LEU 183 CO 0.70 -0.17 -0.19 -0.32 -1.32 0.00 0.00 176.35 175.05 2h59 s MET 184 N 1.48 2.65 -0.18 1.98 -2.45 -0.53 -1.17 119.30 121.08 2h59 s MET 184 Ca -0.05 -0.80 0.01 0.00 -1.25 0.00 0.00 55.69 53.60 2h59 s MET 184 Cb -0.12 -2.31 0.02 0.00 1.25 0.00 0.00 34.83 33.68 2h59 s MET 184 CO -0.05 0.44 -0.18 0.42 1.05 0.00 0.00 175.02 176.70 2h59 s ILE 185 N -0.29 1.97 -0.19 10.11 1.01 -0.48 -0.38 121.20 132.95 2h59 s ILE 185 Ca 0.01 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 2h59 s ILE 185 Cb -0.13 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 2h59 s ILE 185 CO 0.03 0.47 0.10 -0.69 0.00 0.00 0.00 174.94 174.84 2h59 s VAL 186 N 1.31 5.13 -0.17 2.92 1.01 0.30 -1.18 120.40 129.72 2h59 s VAL 186 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2h59 s VAL 186 Cb -0.14 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.96 2h59 s VAL 186 CO -0.12 0.45 -0.08 -0.76 0.00 0.00 0.00 175.10 174.59 2h59 s LEU 187 N 0.33 1.85 -0.61 3.92 1.02 -0.77 0.58 118.68 125.00 2h59 s LEU 187 Ca 0.06 -0.71 -0.03 0.00 0.02 0.00 0.00 54.13 53.46 2h59 s LEU 187 Cb -0.12 -1.06 0.00 0.00 0.02 0.00 0.00 46.19 45.04 2h59 s LEU 187 CO -0.01 -0.15 0.53 0.61 0.02 0.00 0.00 176.35 177.35 2h59 n GLY 188 N 4.80 0.24 3.17 -3.19 0.00 -0.31 -1.68 105.19 108.21 2h59 n GLY 188 Ca -0.13 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.22 2.20 0.10 1.61 0.15 -1.26 -0.76 113.70 112.51 2h59 s SER 189 Ca 0.23 -0.35 0.26 0.00 0.70 0.00 0.00 55.95 56.79 2h59 s SER 189 Cb -0.10 -0.40 0.74 0.00 -1.71 0.00 0.00 66.02 64.54 2h59 s SER 189 CO 0.34 0.20 1.63 -1.54 1.20 0.00 0.00 173.24 175.06 2h59 n SER 190 N 2.84 0.52 -2.87 5.45 3.41 -1.26 -4.91 113.62 116.81 2h59 n SER 190 Ca -0.16 0.29 -0.16 0.00 -0.26 0.00 0.00 58.87 58.58 2h59 n SER 190 Cb 0.53 -0.28 0.06 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.89 -3.30 -0.24 1.04 4.77 -1.26 -4.35 117.00 111.76 2h59 n LEU 191 Ca 0.05 -0.44 0.04 0.00 -0.03 0.00 0.00 56.01 55.63 2h59 n LEU 191 Cb 0.39 -2.48 0.01 0.00 -2.33 0.00 0.00 43.42 39.02 2h59 n LEU 191 CO 0.32 0.41 0.26 1.33 -1.33 0.00 0.00 177.39 178.37 2h59 n VAL 192 N -3.95 0.00 -4.26 4.08 0.24 -1.26 -4.74 118.33 108.44 2h59 n VAL 192 Ca -0.10 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.34 61.42 2h59 n VAL 192 Cb 0.58 1.13 -0.12 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.09 3.87 0.08 3.34 1.01 -1.26 -5.01 120.40 121.34 2h59 s VAL 193 Ca 0.08 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2h59 s VAL 193 Cb 0.07 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2h59 s VAL 193 CO 0.19 0.47 0.22 -0.31 0.00 0.00 0.00 175.10 175.66 2h59 s TYR 194 N 0.66 3.50 -1.67 5.22 1.51 -1.26 -0.79 117.35 124.52 2h59 s TYR 194 Ca -0.02 0.21 0.28 0.00 -1.01 0.00 0.00 57.07 56.53 2h59 s TYR 194 Cb -0.14 -1.73 1.02 0.00 -0.11 0.00 0.00 41.96 41.00 2h59 s TYR 194 CO 0.02 0.57 1.73 -0.35 -1.11 0.00 0.00 175.55 176.42 2h59 n PRO 195 N 0.10 0.73 -0.26 -1.71 -0.04 -1.26 -4.88 135.00 127.67 2h59 n PRO 195 Ca -0.06 -0.33 0.07 0.00 -0.04 0.00 0.00 63.50 63.14 2h59 n PRO 195 Cb 0.52 -1.49 0.19 0.00 -0.04 0.00 0.00 33.50 32.67 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 3.62 0.91 0.00 0.55 0.00 -1.98 0.68 119.26 123.05 2h59 h ALA 196 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2h59 h ALA 196 Cb 0.42 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2h59 h ALA 196 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.84 2h59 n ALA 197 N -2.82 1.80 0.40 0.00 0.00 0.03 -1.62 120.51 118.30 2h59 n ALA 197 Ca 0.15 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.71 2h59 n ALA 197 Cb 0.51 -1.33 0.38 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.37 0.00 4.57 -1.12 -3.38 114.58 114.28 2h59 h GLU 198 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2h59 h GLU 198 Cb 0.35 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2h59 h GLU 198 CO 0.00 0.00 0.15 -0.07 -1.18 0.00 0.00 179.01 177.91 2h59 h LEU 199 N 0.00 0.51 -1.69 1.64 3.38 -1.33 -1.52 115.31 116.30 2h59 h LEU 199 Ca 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2h59 h LEU 199 Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2h59 h LEU 199 CO 0.00 0.53 -0.03 -0.65 0.09 0.00 0.00 178.44 178.39 2h59 h PRO 200 N 0.46 0.16 -0.42 1.13 0.11 -1.78 -2.06 132.00 129.60 2h59 h PRO 200 Ca 0.12 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 2h59 h PRO 200 Cb 0.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 2h59 h PRO 200 CO -0.01 0.21 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.85 2h59 h LEU 201 N 0.16 0.69 -0.68 2.35 4.07 -1.56 -1.72 115.31 118.61 2h59 h LEU 201 Ca 0.04 -0.18 -0.09 0.00 0.08 0.00 0.00 57.88 57.72 2h59 h LEU 201 Cb 0.16 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 2h59 h LEU 201 CO 0.01 0.80 0.00 0.40 -1.08 0.00 0.00 178.44 178.57 2h59 h ILE 202 N 0.66 1.26 -0.06 1.22 2.04 -0.89 0.28 117.51 122.02 2h59 h ILE 202 Ca 0.12 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2h59 h ILE 202 Cb 0.50 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2h59 h ILE 202 CO 0.03 0.41 0.02 0.74 0.00 0.00 0.00 178.15 179.34 2h59 h THR 203 N 0.94 1.18 -0.37 -0.27 2.02 -1.20 -1.61 112.91 113.59 2h59 h THR 203 Ca 0.17 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 2h59 h THR 203 Cb 0.54 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2h59 h THR 203 CO 0.03 0.15 0.17 0.58 0.37 0.00 0.00 175.52 176.82 2h59 h VAL 204 N -0.10 1.17 -0.18 3.16 2.07 -1.19 0.88 116.25 122.07 2h59 h VAL 204 Ca 0.02 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2h59 h VAL 204 Cb 0.22 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2h59 h VAL 204 CO -0.00 0.19 0.07 -0.09 0.02 0.00 0.00 177.57 177.76 2h59 h ARG 205 N 0.46 0.24 0.00 1.57 2.43 -0.31 -1.61 114.38 117.16 2h59 h ARG 205 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2h59 h ARG 205 Cb 0.14 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2h59 h ARG 205 CO -0.01 0.20 0.00 0.43 -1.51 0.00 0.00 179.97 179.08 2h59 n SER 206 N -4.46 0.27 0.00 -3.80 7.64 -0.62 -4.91 113.62 107.74 2h59 n SER 206 Ca -0.00 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2h59 n SER 206 Cb 0.11 -0.61 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 0.86 0.78 3.74 0.23 0.00 -0.60 -5.07 105.19 105.13 2h59 n GLY 207 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.19 1.64 0.28 -0.02 0.00 0.25 -4.97 107.32 103.30 2h59 s GLY 208 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 44.72 44.81 2h59 s GLY 208 CO 0.00 0.46 0.32 0.54 0.00 0.00 0.00 173.10 174.42 2h59 s LYS 209 N -4.95 3.11 -0.08 2.90 1.02 0.13 -4.18 119.74 117.69 2h59 s LYS 209 Ca 0.62 -0.98 0.02 0.00 0.02 0.00 0.00 55.97 55.65 2h59 s LYS 209 Cb -0.17 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 2h59 s LYS 209 CO 0.56 0.30 -0.12 -1.17 -0.92 0.00 0.00 175.35 174.01 2h59 s LEU 210 N -3.97 1.55 -0.08 3.17 2.96 -1.26 -1.45 118.68 119.59 2h59 s LEU 210 Ca 0.37 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 2h59 s LEU 210 Cb -0.08 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 2h59 s LEU 210 CO 0.28 -0.01 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.42 2h59 s VAL 211 N 0.97 2.59 -0.10 1.68 1.01 0.49 -0.32 120.40 126.72 2h59 s VAL 211 Ca -0.09 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2h59 s VAL 211 Cb -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2h59 s VAL 211 CO -0.00 0.56 -0.23 -0.63 0.00 0.00 0.00 175.10 174.80 2h59 s ILE 212 N -0.15 1.98 -0.31 2.22 1.01 -0.39 -0.53 121.20 125.02 2h59 s ILE 212 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.66 2h59 s ILE 212 Cb -0.14 -1.71 0.07 0.00 0.01 0.00 0.00 42.46 40.69 2h59 s ILE 212 CO 0.04 0.54 0.01 -0.69 0.00 0.00 0.00 174.94 174.84 2h59 s VAL 213 N 0.36 2.60 -0.28 2.92 1.01 0.20 -0.12 120.40 127.08 2h59 s VAL 213 Ca -0.18 -1.81 -0.20 0.00 0.00 0.00 0.00 61.98 59.79 2h59 s VAL 213 Cb -0.18 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.62 2h59 s VAL 213 CO 0.08 -0.30 0.71 0.21 0.00 0.00 0.00 175.10 175.80 2h59 s ASN 214 N 1.20 -0.86 -0.89 3.32 3.84 -0.45 -1.16 114.94 119.94 2h59 s ASN 214 Ca -0.00 1.48 -0.22 0.00 0.21 0.00 0.00 52.86 54.33 2h59 s ASN 214 Cb -0.20 1.42 0.07 0.00 -0.55 0.00 0.00 41.25 42.00 2h59 s ASN 214 CO -0.05 -0.24 1.25 -0.76 -2.79 0.00 0.00 177.10 174.51 2h59 s LEU 215 N 1.09 4.06 0.00 3.21 1.02 -1.26 -3.58 118.68 123.21 2h59 s LEU 215 Ca -0.06 -1.39 0.00 0.00 0.02 0.00 0.00 54.13 52.70 2h59 s LEU 215 Cb -0.05 -2.49 0.00 0.00 0.02 0.00 0.00 46.19 43.67 2h59 s LEU 215 CO -0.11 -1.42 0.00 0.61 0.02 0.00 0.00 176.35 175.45 2h59 n GLY 216 N 5.98 4.19 3.77 -3.19 0.00 -1.26 -5.04 105.19 109.64 2h59 n GLY 216 Ca 0.19 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.27 3.58 0.26 1.61 2.02 -1.26 -5.03 118.70 116.61 2h59 s GLU 217 Ca 0.00 1.68 0.08 0.00 0.02 0.00 0.00 54.97 56.75 2h59 s GLU 217 Cb 0.00 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.97 2h59 s GLU 217 CO 0.00 -0.68 -0.11 0.95 0.02 0.00 0.00 175.26 175.44 2h59 s THR 218 N -1.67 1.88 -0.36 3.63 -4.23 -1.26 -4.92 115.64 108.71 2h59 s THR 218 Ca 0.68 -2.21 0.21 0.00 -1.18 0.00 0.00 61.69 59.19 2h59 s THR 218 Cb -0.26 -2.32 0.22 0.00 1.34 0.00 0.00 72.50 71.48 2h59 s THR 218 CO 0.30 -0.40 1.64 -0.81 -0.54 0.00 0.00 174.62 174.82 2h59 n PRO 219 N -0.55 0.15 -0.19 3.99 -0.04 -1.26 -2.95 135.00 134.16 2h59 n PRO 219 Ca -0.06 0.54 0.06 0.00 -0.04 0.00 0.00 63.50 64.00 2h59 n PRO 219 Cb 0.62 -1.89 0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2h59 n PRO 219 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2h59 n PHE 220 N -2.20 0.39 -0.22 0.54 3.72 -1.26 -4.65 117.46 113.77 2h59 n PHE 220 Ca 0.00 -0.71 0.03 0.00 -0.05 0.00 0.00 57.45 56.72 2h59 n PHE 220 Cb 0.11 -0.14 0.28 0.00 -0.94 0.00 0.00 39.48 38.79 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 1.05 0.81 0.68 4.37 3.32 -1.94 -2.28 116.42 122.43 2h59 h ASP 221 Ca 0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 2h59 h ASP 221 Cb 0.93 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 2h59 h ASP 221 CO 0.06 0.56 -0.39 0.44 -1.72 0.00 0.00 179.24 178.19 2h59 h ASP 222 N 0.94 0.00 0.09 6.45 3.32 -1.86 -2.86 116.42 122.51 2h59 h ASP 222 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2h59 h ASP 222 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2h59 h ASP 222 CO -0.09 0.39 -0.21 2.30 -1.72 0.00 0.00 179.24 179.90 2h59 n ILE 223 N -3.68 0.00 -2.31 0.35 -5.35 -0.98 -4.94 119.36 102.45 2h59 n ILE 223 Ca -0.01 -0.23 -0.41 0.00 -0.27 0.00 0.00 62.75 61.84 2h59 n ILE 223 Cb 0.48 0.73 -0.03 0.00 -1.74 0.00 0.00 39.64 39.07 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 -2.32 3.46 0.18 -1.28 0.00 -0.90 -4.77 121.76 116.13 2h59 s ALA 224 Ca 0.27 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 2h59 s ALA 224 Cb 0.19 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.99 2h59 s ALA 224 CO 0.46 -0.39 1.70 1.15 0.00 0.00 0.00 175.76 178.68 2h59 h THR 225 N 3.27 1.25 -3.84 0.00 2.02 -1.00 -3.43 112.91 111.18 2h59 h THR 225 Ca -0.47 -0.88 -0.30 0.00 0.77 0.00 0.00 66.41 65.53 2h59 h THR 225 Cb 1.22 0.64 -0.29 0.00 -1.74 0.00 0.00 68.15 67.98 2h59 h THR 225 CO 0.69 0.33 -0.74 -0.76 0.37 0.00 0.00 175.52 175.41 2h59 s LEU 226 N -9.60 1.98 -0.14 2.58 1.43 -1.16 -5.03 118.68 108.74 2h59 s LEU 226 Ca -0.12 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2h59 s LEU 226 Cb 0.13 -0.19 0.02 0.00 0.03 0.00 0.00 46.19 46.18 2h59 s LEU 226 CO 0.82 0.04 -0.15 -0.75 0.23 0.00 0.00 176.35 176.54 2h59 s LYS 227 N -0.05 2.31 -0.34 1.70 2.47 -1.26 -1.26 119.74 123.31 2h59 s LYS 227 Ca 0.01 -0.57 -0.06 0.00 -1.56 0.00 0.00 55.97 53.78 2h59 s LYS 227 Cb -0.02 -2.06 0.04 0.00 -1.46 0.00 0.00 37.83 34.34 2h59 s LYS 227 CO -0.00 -0.17 0.11 0.71 0.16 0.00 0.00 175.35 176.15 2h59 s TYR 228 N 1.31 3.26 -1.18 4.03 2.02 0.83 -4.98 117.35 122.64 2h59 s TYR 228 Ca 0.01 -1.45 -0.17 0.00 -0.37 0.00 0.00 57.07 55.09 2h59 s TYR 228 Cb -0.14 -2.30 0.11 0.00 -0.40 0.00 0.00 41.96 39.24 2h59 s TYR 228 CO -0.08 -0.74 1.51 1.21 -1.57 0.00 0.00 175.55 175.89 2h59 s ASN 229 N 1.42 6.86 -0.20 2.29 3.84 -1.26 -1.34 114.94 126.55 2h59 s ASN 229 Ca -0.02 -2.47 -0.18 0.00 0.21 0.00 0.00 52.86 50.40 2h59 s ASN 229 Cb -0.20 -2.49 0.05 0.00 -0.55 0.00 0.00 41.25 38.07 2h59 s ASN 229 CO 0.03 -1.04 0.52 -0.32 -2.79 0.00 0.00 177.10 173.49 2h59 s MET 230 N 3.14 0.60 0.32 0.43 1.75 -1.24 -4.89 119.30 119.42 2h59 s MET 230 Ca 0.46 0.73 -0.29 0.00 -1.25 0.00 0.00 55.69 55.34 2h59 s MET 230 Cb -0.00 0.28 -0.12 0.00 2.84 0.00 0.00 34.83 37.83 2h59 s MET 230 CO 0.01 -0.08 1.46 -3.47 -0.65 0.00 0.00 175.02 172.29 2h59 n ASP 231 N 2.87 3.40 0.23 1.11 2.03 -1.26 -4.10 116.55 120.83 2h59 n ASP 231 Ca -0.14 1.18 0.07 0.00 0.52 0.00 0.00 54.79 56.42 2h59 n ASP 231 Cb 0.56 -1.55 0.59 0.00 -0.72 0.00 0.00 41.12 40.00 2h59 n ASP 231 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2h59 h VAL 232 N 3.00 1.04 -0.05 5.18 -1.51 -1.91 -0.99 116.25 121.01 2h59 h VAL 232 Ca -0.47 -0.18 -0.24 0.00 -1.23 0.00 0.00 66.70 64.58 2h59 h VAL 232 Cb 1.25 1.05 0.01 0.00 -2.13 0.00 0.00 31.29 31.47 2h59 h VAL 232 CO 0.70 0.05 -0.93 0.58 -1.23 0.00 0.00 177.57 176.75 2h59 h VAL 233 N 0.05 1.31 -0.65 7.19 2.07 -1.95 -0.87 116.25 123.39 2h59 h VAL 233 Ca 0.01 -2.20 0.01 0.00 0.82 0.00 0.00 66.70 65.34 2h59 h VAL 233 Cb 0.08 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2h59 h VAL 233 CO 0.00 0.68 0.43 -0.08 0.02 0.00 0.00 177.57 178.62 2h59 h GLU 234 N 0.39 0.85 -0.10 1.57 4.81 -1.84 0.14 114.58 120.40 2h59 h GLU 234 Ca -0.09 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2h59 h GLU 234 Cb 1.57 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.72 2h59 h GLU 234 CO 0.18 0.56 -0.12 0.35 -0.73 0.00 0.00 179.01 179.25 2h59 h PHE 235 N 0.87 -0.31 -0.52 0.92 3.57 -1.09 -0.49 116.94 119.89 2h59 h PHE 235 Ca 0.24 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.78 2h59 h PHE 235 Cb -0.08 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2h59 h PHE 235 CO -0.03 -0.18 0.32 0.00 -2.23 0.00 0.00 178.31 176.18 2h59 h ALA 236 N 0.90 0.67 0.14 2.41 0.00 -0.93 -0.29 119.26 122.16 2h59 h ALA 236 Ca 0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2h59 h ALA 236 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2h59 h ALA 236 CO -0.20 0.03 -0.19 -0.09 0.00 0.00 0.00 179.25 178.80 2h59 h ARG 237 N 0.63 -0.37 -0.86 0.00 2.43 -0.27 -1.24 114.38 114.70 2h59 h ARG 237 Ca 0.21 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2h59 h ARG 237 Cb 0.01 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2h59 h ARG 237 CO -0.09 -0.25 0.57 0.00 -1.51 0.00 0.00 179.97 178.70 2h59 h ARG 238 N -0.38 1.13 -0.39 0.20 3.08 -0.91 -0.58 114.38 116.53 2h59 h ARG 238 Ca 0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2h59 h ARG 238 Cb 0.39 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2h59 h ARG 238 CO -0.08 0.75 0.21 0.28 -1.07 0.00 0.00 179.97 180.06 2h59 h VAL 239 N 1.16 1.15 -0.66 2.04 2.07 -0.87 -1.05 116.25 120.10 2h59 h VAL 239 Ca 0.32 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2h59 h VAL 239 Cb -0.12 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2h59 h VAL 239 CO -0.07 0.15 0.36 0.24 0.02 0.00 0.00 177.57 178.28 2h59 h MET 240 N 0.50 0.93 -0.21 1.57 2.86 -1.00 -0.40 114.93 119.17 2h59 h MET 240 Ca 0.14 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 2h59 h MET 240 Cb 0.06 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2h59 h MET 240 CO -0.02 0.70 -0.21 0.93 1.06 0.00 0.00 176.91 179.36 2h59 h GLU 241 N 0.91 0.38 -0.19 1.72 5.08 -0.83 -2.43 114.58 119.23 2h59 h GLU 241 Ca 0.23 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2h59 h GLU 241 Cb 0.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2h59 h GLU 241 CO -0.04 0.59 0.00 0.39 -1.00 0.00 0.00 179.01 178.95 2h59 n GLU 242 N -4.16 1.64 0.00 2.33 1.02 -0.42 -4.89 120.64 116.16 2h59 n GLU 242 Ca -0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 2h59 n GLU 242 Cb 0.36 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.05 1.24 0.23 0.62 0.00 -0.91 -5.01 105.19 102.41 2h59 n GLY 243 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 0.29 -2.05 -0.02 0.00 -1.20 -2.32 103.07 97.76 2h59 h GLY 244 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2h59 h GLY 244 CO 0.00 0.19 0.00 0.29 0.00 0.00 0.00 176.54 177.02 2h59 n ILE 245 N -4.18 2.15 -0.02 2.60 -5.35 -1.26 -4.92 119.36 108.37 2h59 n ILE 245 Ca -0.01 -1.61 0.00 0.00 -0.27 0.00 0.00 62.75 60.86 2h59 n ILE 245 Cb 0.34 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 2h59 n ILE 245 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59