#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u99 h GLN 7 N 0.00 0.00 0.00 1.64 4.20 -2.05 1.53 115.11 120.43 1u99 h GLN 7 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1u99 h GLN 7 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1u99 h GLN 7 CO 0.00 0.00 -0.09 -0.22 -0.67 0.00 0.00 178.83 177.85 1u99 h LYS 8 N 0.00 0.00 0.00 1.46 3.64 -2.04 -3.15 116.57 116.47 1u99 h LYS 8 Ca 0.37 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1u99 h LYS 8 Cb 2.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 34.06 1u99 h LYS 8 CO -0.00 0.55 -0.00 0.00 -2.27 0.00 0.00 179.45 177.73 1u99 h ALA 9 N -0.47 1.00 -0.28 5.00 0.00 -0.02 -1.85 119.26 122.64 1u99 h ALA 9 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u99 h ALA 9 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1u99 h ALA 9 CO -0.01 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.13 1u99 n LEU 10 N -3.09 0.14 0.20 0.00 7.94 0.46 -1.22 117.00 121.43 1u99 n LEU 10 Ca -0.00 0.71 0.17 0.00 -1.11 0.00 0.00 56.01 55.78 1u99 n LEU 10 Cb 0.24 -0.45 0.72 0.00 0.53 0.00 0.00 43.42 44.46 1u99 n LEU 10 CO 0.25 -0.45 1.15 0.00 -1.11 0.00 0.00 177.39 177.23 1u99 h ALA 11 N -2.00 1.79 0.32 1.96 0.00 -1.56 0.58 119.26 120.36 1u99 h ALA 11 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1u99 h ALA 11 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1u99 h ALA 11 CO 0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 179.25 178.52 1u99 h ALA 12 N 1.29 -0.59 -0.92 0.00 0.00 -1.27 -2.05 119.26 115.72 1u99 h ALA 12 Ca 0.11 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1u99 h ALA 12 Cb 1.03 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1u99 h ALA 12 CO -0.00 -0.56 0.58 0.00 0.00 0.00 0.00 179.25 179.27 1u99 h ALA 13 N -1.45 1.25 -0.45 0.00 0.00 -0.33 -1.24 119.26 117.04 1u99 h ALA 13 Ca -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.93 1u99 h ALA 13 Cb 0.33 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 1u99 h ALA 13 CO 0.07 0.38 -0.12 1.25 0.00 0.00 0.00 179.25 180.83 1u99 h LEU 14 N 1.08 -0.44 -0.96 0.00 5.85 -0.99 0.26 115.31 120.13 1u99 h LEU 14 Ca 0.39 0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.26 1u99 h LEU 14 Cb 0.12 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1u99 h LEU 14 CO -0.16 -0.16 0.64 1.23 -0.34 0.00 0.00 178.44 179.65 1u99 h GLY 15 N -0.01 1.35 0.49 3.75 0.00 -0.51 -1.99 103.07 106.15 1u99 h GLY 15 Ca 0.22 -0.50 0.07 0.00 0.00 0.00 0.00 47.33 47.12 1u99 h GLY 15 CO -0.47 0.49 0.17 1.46 0.00 0.00 0.00 176.54 178.19 1u99 h GLN 16 N 1.29 0.33 -0.72 4.80 4.20 0.37 -0.20 115.11 125.18 1u99 h GLN 16 Ca 0.35 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1u99 h GLN 16 Cb -0.14 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 1u99 h GLN 16 CO -0.08 0.22 0.47 0.82 -0.67 0.00 0.00 178.83 179.58 1u99 h ILE 17 N 0.34 1.19 -0.07 2.54 2.04 -0.24 -0.92 117.51 122.38 1u99 h ILE 17 Ca 0.25 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1u99 h ILE 17 Cb 0.28 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1u99 h ILE 17 CO -0.26 0.19 0.01 -0.33 0.00 0.00 0.00 178.15 177.75 1u99 h GLU 18 N 0.99 0.12 -0.32 2.37 4.39 -0.46 0.38 114.58 122.06 1u99 h GLU 18 Ca 0.26 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.78 1u99 h GLU 18 Cb -0.09 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1u99 h GLU 18 CO -0.05 0.37 -0.41 -0.22 -1.16 0.00 0.00 179.01 177.53 1u99 h LYS 19 N -0.14 0.78 -0.17 2.33 3.64 -1.08 1.54 116.57 123.46 1u99 h LYS 19 Ca 0.02 -0.42 -0.12 0.00 -1.27 0.00 0.00 60.65 58.87 1u99 h LYS 19 Cb 0.31 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1u99 h LYS 19 CO 0.00 1.04 -0.41 0.37 -2.27 0.00 0.00 179.45 178.19 1u99 h GLN 20 N 0.63 0.40 -0.00 1.90 4.15 -1.15 -3.35 115.11 117.70 1u99 h GLN 20 Ca 0.05 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1u99 h GLN 20 Cb 0.97 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1u99 h GLN 20 CO 0.09 0.74 -0.06 1.19 -1.93 0.00 0.00 178.83 178.86 1u99 n PHE 21 N -4.03 0.00 0.00 3.99 3.72 0.13 -5.07 117.46 116.21 1u99 n PHE 21 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1u99 n PHE 21 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1u99 n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u99 n GLY 22 N 0.77 0.76 3.69 1.37 0.00 0.53 -4.82 105.19 107.49 1u99 n GLY 22 Ca 0.01 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 1u99 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u99 s LYS 23 N -1.02 4.44 0.00 1.61 1.02 -1.26 -3.70 119.74 120.83 1u99 s LYS 23 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.25 1u99 s LYS 23 Cb 0.00 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1u99 s LYS 23 CO 0.00 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 1u99 n GLY 24 N 3.11 0.57 0.00 -3.33 0.00 -1.26 -4.91 105.19 99.36 1u99 n GLY 24 Ca 0.06 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.39 1u99 n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u99 n SER 25 N 1.63 0.00 -3.63 1.61 7.64 -1.24 -4.76 113.62 114.87 1u99 n SER 25 Ca 0.00 0.29 -0.10 0.00 1.01 0.00 0.00 58.87 60.07 1u99 n SER 25 Cb 0.16 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 62.87 1u99 n SER 25 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1u99 s ILE 26 N -2.85 0.00 -0.06 0.44 2.07 -1.26 -5.03 121.20 114.51 1u99 s ILE 26 Ca 0.18 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.19 1u99 s ILE 26 Cb 0.18 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.82 1u99 s ILE 26 CO 0.47 0.00 0.52 -0.04 -1.91 0.00 0.00 174.94 173.98 1u99 s MET 27 N 0.12 0.85 -0.17 3.50 -1.94 -1.26 -5.02 119.30 115.37 1u99 s MET 27 Ca 0.02 0.15 -0.29 0.00 -1.71 0.00 0.00 55.69 53.86 1u99 s MET 27 Cb -0.05 0.39 -0.00 0.00 2.01 0.00 0.00 34.83 37.19 1u99 s MET 27 CO -0.05 -0.24 1.05 1.03 -0.01 0.00 0.00 175.02 176.81 1u99 s ARG 28 N -1.04 4.32 0.62 2.03 0.52 -1.26 -4.86 118.95 119.28 1u99 s ARG 28 Ca -0.10 1.40 0.27 0.00 -0.52 0.00 0.00 55.73 56.78 1u99 s ARG 28 Cb -0.03 -3.61 1.43 0.00 0.52 0.00 0.00 34.95 33.26 1u99 s ARG 28 CO 0.06 -0.51 1.83 -0.07 0.02 0.00 0.00 175.30 176.63 1u99 h LEU 29 N 8.88 0.00 0.00 2.53 3.38 -1.99 0.19 115.31 128.30 1u99 h LEU 29 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1u99 h LEU 29 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1u99 h LEU 29 CO 0.93 0.00 -0.28 1.23 0.09 0.00 0.00 178.44 180.40 1u99 h GLY 30 N 0.00 0.00 -1.85 0.83 0.00 -1.98 -3.46 103.07 96.61 1u99 h GLY 30 Ca 0.13 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.93 1u99 h GLY 30 CO -0.00 0.00 -0.54 1.18 0.00 0.00 0.00 176.54 177.18 1u99 n GLU 31 N -3.03 -0.38 -0.00 4.80 1.02 0.67 -4.97 120.64 118.75 1u99 n GLU 31 Ca 0.03 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1u99 n GLU 31 Cb 0.57 -1.89 -0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1u99 n GLU 31 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1u99 n ASP 32 N -1.57 1.00 -4.55 1.62 8.00 -1.26 -4.73 116.55 115.06 1u99 n ASP 32 Ca 0.07 -0.40 -0.35 0.00 0.71 0.00 0.00 54.79 54.81 1u99 n ASP 32 Cb 0.54 1.00 -0.04 0.00 -0.02 0.00 0.00 41.12 42.60 1u99 n ASP 32 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1u99 n ARG 33 N -1.10 0.98 -3.16 -1.24 1.74 -1.26 -4.96 116.66 107.66 1u99 n ARG 33 Ca 0.00 -0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 56.80 1u99 n ARG 33 Cb 0.00 -3.38 -0.00 0.00 -1.02 0.00 0.00 32.46 28.05 1u99 n ARG 33 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1u99 s SER 34 N 12.10 6.11 0.69 0.55 0.01 -1.26 -4.79 113.70 127.11 1u99 s SER 34 Ca 0.99 0.42 -0.05 0.00 1.31 0.00 0.00 55.95 58.62 1u99 s SER 34 Cb -0.21 -1.85 0.07 0.00 0.21 0.00 0.00 66.02 64.24 1u99 s SER 34 CO 0.26 -0.48 0.98 -0.04 0.41 0.00 0.00 173.24 174.38 1u99 s MET 35 N -4.44 2.11 -1.22 12.44 1.00 -1.15 -4.98 119.30 123.06 1u99 s MET 35 Ca 0.44 -0.46 -0.17 0.00 0.00 0.00 0.00 55.69 55.49 1u99 s MET 35 Cb -0.10 -2.23 0.10 0.00 0.00 0.00 0.00 34.83 32.60 1u99 s MET 35 CO 0.37 -1.23 1.57 0.34 0.00 0.00 0.00 175.02 176.08 1u99 s ASP 36 N -4.55 6.86 -0.02 3.03 2.15 -1.26 -4.94 116.67 117.95 1u99 s ASP 36 Ca 0.61 -2.48 0.02 0.00 0.43 0.00 0.00 52.55 51.13 1u99 s ASP 36 Cb -0.10 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1u99 s ASP 36 CO 0.44 -1.07 -0.06 0.68 -0.17 0.00 0.00 175.17 174.98 1u99 s VAL 37 N 3.40 0.56 0.31 1.11 -7.23 -1.26 -5.12 120.40 112.16 1u99 s VAL 37 Ca 0.48 -0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 60.12 1u99 s VAL 37 Cb 0.01 -0.51 -0.10 0.00 0.56 0.00 0.00 36.38 36.34 1u99 s VAL 37 CO 0.02 0.18 1.25 -0.70 -0.31 0.00 0.00 175.10 175.55 1u99 s GLU 38 N 0.22 4.43 -0.01 4.82 2.12 -1.26 -4.91 118.70 124.10 1u99 s GLU 38 Ca -0.03 2.10 0.02 0.00 0.36 0.00 0.00 54.97 57.42 1u99 s GLU 38 Cb -0.07 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1u99 s GLU 38 CO -0.00 -0.09 -0.05 0.95 -0.54 0.00 0.00 175.26 175.53 1u99 s THR 39 N -1.08 0.46 -0.15 -1.70 -4.23 -1.26 -1.58 115.64 106.11 1u99 s THR 39 Ca 0.48 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 1u99 s THR 39 Cb -0.38 -0.41 -0.05 0.00 1.34 0.00 0.00 72.50 73.01 1u99 s THR 39 CO 0.49 0.14 0.23 -0.63 -0.54 0.00 0.00 174.62 174.32 1u99 s ILE 40 N 0.04 5.34 0.64 2.99 -1.09 -0.48 -4.78 121.20 123.86 1u99 s ILE 40 Ca -0.00 0.42 -0.18 0.00 -2.23 0.00 0.00 60.65 58.66 1u99 s ILE 40 Cb -0.04 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1u99 s ILE 40 CO -0.00 0.47 1.22 -0.55 -1.23 0.00 0.00 174.94 174.85 1u99 s SER 41 N -0.02 4.84 0.00 3.58 0.15 -1.26 -0.70 113.70 120.29 1u99 s SER 41 Ca 0.15 2.42 0.24 0.00 0.70 0.00 0.00 55.95 59.46 1u99 s SER 41 Cb -0.13 -2.60 0.24 0.00 -1.71 0.00 0.00 66.02 61.83 1u99 s SER 41 CO 0.03 -1.83 1.23 0.35 1.20 0.00 0.00 173.24 174.22 1u99 n THR 42 N -1.93 0.00 0.00 6.45 -2.24 -1.26 -4.30 114.28 111.00 1u99 n THR 42 Ca 0.14 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1u99 n THR 42 Cb 0.49 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1u99 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u99 n GLY 43 N 1.47 0.76 3.32 3.38 0.00 -1.26 -4.16 105.19 108.70 1u99 n GLY 43 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1u99 n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u99 s SER 44 N -2.30 4.01 0.19 1.61 0.15 -1.26 -4.61 113.70 111.50 1u99 s SER 44 Ca 0.00 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1u99 s SER 44 Cb 0.00 -1.64 0.11 0.00 -1.71 0.00 0.00 66.02 62.78 1u99 s SER 44 CO 0.00 0.07 1.51 0.25 1.20 0.00 0.00 173.24 176.27 1u99 h LEU 45 N 7.40 0.62 -1.21 3.45 7.12 -1.95 -0.23 115.31 130.51 1u99 h LEU 45 Ca -0.34 -0.33 -0.06 0.00 0.13 0.00 0.00 57.88 57.28 1u99 h LEU 45 Cb 1.18 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.13 1u99 h LEU 45 CO 0.59 1.04 -0.29 0.77 -0.13 0.00 0.00 178.44 180.42 1u99 h SER 46 N 0.43 0.00 0.15 1.25 4.64 -1.94 -2.30 113.55 115.78 1u99 h SER 46 Ca 0.01 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.06 1u99 h SER 46 Cb 1.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1u99 h SER 46 CO 0.10 0.29 -1.28 0.25 -0.87 0.00 0.00 176.83 175.32 1u99 h LEU 47 N 0.00 0.50 -1.38 5.97 6.46 -1.84 -2.51 115.31 122.50 1u99 h LEU 47 Ca -0.00 -0.90 0.12 0.00 -0.12 0.00 0.00 57.88 56.97 1u99 h LEU 47 Cb 0.73 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.44 1u99 h LEU 47 CO 0.04 1.58 0.52 0.44 -0.62 0.00 0.00 178.44 180.41 1u99 h ASP 48 N -0.22 0.60 0.20 1.25 3.32 -0.96 0.90 116.42 121.51 1u99 h ASP 48 Ca -0.25 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1u99 h ASP 48 Cb 1.82 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.27 1u99 h ASP 48 CO 0.13 0.34 -0.09 0.40 -1.72 0.00 0.00 179.24 178.29 1u99 h ILE 49 N 0.65 0.84 -1.03 0.35 2.04 -1.48 -2.49 117.51 116.39 1u99 h ILE 49 Ca 0.38 -0.95 0.26 0.00 1.00 0.00 0.00 64.86 65.55 1u99 h ILE 49 Cb 0.59 1.34 -0.11 0.00 -0.74 0.00 0.00 36.82 37.89 1u99 h ILE 49 CO -0.15 0.19 0.63 0.00 0.00 0.00 0.00 178.15 178.82 1u99 h ALA 50 N -0.21 1.99 0.00 1.87 0.00 -0.87 0.51 119.26 122.56 1u99 h ALA 50 Ca -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1u99 h ALA 50 Cb 0.52 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1u99 h ALA 50 CO 0.04 -0.44 -0.01 -0.07 0.00 0.00 0.00 179.25 178.78 1u99 h LEU 51 N 0.50 0.00 0.00 0.00 3.38 -0.78 -3.44 115.31 114.96 1u99 h LEU 51 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1u99 h LEU 51 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1u99 h LEU 51 CO -0.40 0.01 0.00 0.61 0.09 0.00 0.00 178.44 178.75 1u99 n GLY 52 N -0.57 1.84 0.35 0.83 0.00 0.18 -4.52 105.19 103.30 1u99 n GLY 52 Ca -0.01 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1u99 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u99 n ALA 53 N 0.00 2.52 -0.96 4.61 0.00 -1.26 -4.86 120.51 120.55 1u99 n ALA 53 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1u99 n ALA 53 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1u99 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u99 n GLY 54 N 0.91 0.92 0.00 0.00 0.00 -0.95 -4.83 105.19 101.25 1u99 n GLY 54 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1u99 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u99 n GLY 55 N -2.12 -1.07 3.77 -0.02 0.00 -1.23 -4.63 105.19 99.89 1u99 n GLY 55 Ca 0.00 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 1u99 n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u99 s LEU 56 N 0.00 4.50 0.05 0.99 1.43 0.13 -4.78 118.68 121.01 1u99 s LEU 56 Ca 0.00 1.46 -0.31 0.00 -1.03 0.00 0.00 54.13 54.25 1u99 s LEU 56 Cb 0.00 -3.17 -0.06 0.00 0.03 0.00 0.00 46.19 42.98 1u99 s LEU 56 CO 0.00 0.12 1.30 -2.16 0.23 0.00 0.00 176.35 175.84 1u99 s PRO 57 N -0.57 4.36 0.74 1.29 0.04 -1.26 -1.38 135.00 138.21 1u99 s PRO 57 Ca 0.35 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 1u99 s PRO 57 Cb -0.21 -3.39 0.04 0.00 0.04 0.00 0.00 34.50 30.98 1u99 s PRO 57 CO 0.23 -0.40 1.09 -1.64 0.04 0.00 0.00 177.00 176.32 1u99 s MET 58 N 1.49 2.43 0.00 4.56 -1.94 -0.62 -3.36 119.30 121.86 1u99 s MET 58 Ca 0.61 1.20 0.00 0.00 -1.71 0.00 0.00 55.69 55.79 1u99 s MET 58 Cb -0.32 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.61 1u99 s MET 58 CO 0.28 -1.51 0.00 0.41 -0.01 0.00 0.00 175.02 174.19 1u99 n GLY 59 N -1.13 0.30 3.57 -0.03 0.00 -0.89 -4.82 105.19 102.20 1u99 n GLY 59 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1u99 n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u99 s ARG 60 N -0.90 1.90 -0.13 1.61 1.81 -1.21 -3.40 118.95 118.62 1u99 s ARG 60 Ca 0.00 -1.85 -0.15 0.00 -1.72 0.00 0.00 55.73 52.01 1u99 s ARG 60 Cb 0.00 -1.79 -0.05 0.00 -0.45 0.00 0.00 34.95 32.66 1u99 s ARG 60 CO 0.00 0.16 0.34 0.42 -0.68 0.00 0.00 175.30 175.54 1u99 s ILE 61 N -2.57 5.25 0.04 1.52 1.01 -1.26 -1.91 121.20 123.29 1u99 s ILE 61 Ca 0.33 0.66 0.08 0.00 0.00 0.00 0.00 60.65 61.73 1u99 s ILE 61 Cb 0.01 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1u99 s ILE 61 CO 0.17 0.41 -0.24 -0.69 0.00 0.00 0.00 174.94 174.59 1u99 s VAL 62 N 0.24 1.96 -0.06 2.92 1.01 0.17 -1.32 120.40 125.32 1u99 s VAL 62 Ca 0.19 -1.30 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1u99 s VAL 62 Cb -0.14 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1u99 s VAL 62 CO 0.06 0.32 -0.25 -0.70 0.00 0.00 0.00 175.10 174.53 1u99 s GLU 63 N -1.19 2.59 -0.10 2.72 2.12 -0.36 -0.60 118.70 123.88 1u99 s GLU 63 Ca 0.10 -0.90 0.01 0.00 0.36 0.00 0.00 54.97 54.54 1u99 s GLU 63 Cb -0.09 -2.18 0.02 0.00 0.26 0.00 0.00 34.13 32.13 1u99 s GLU 63 CO 0.02 0.38 -0.10 0.42 -0.54 0.00 0.00 175.26 175.43 1u99 s ILE 64 N -0.15 1.15 0.01 -3.70 1.01 -0.54 -0.21 121.20 118.77 1u99 s ILE 64 Ca -0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1u99 s ILE 64 Cb -0.14 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1u99 s ILE 64 CO 0.04 0.38 0.05 -0.72 0.00 0.00 0.00 174.94 174.68 1u99 s TYR 65 N 1.23 0.13 -0.06 3.97 -0.85 -0.11 -0.80 117.35 120.87 1u99 s TYR 65 Ca -0.03 -0.28 -0.32 0.00 -0.52 0.00 0.00 57.07 55.92 1u99 s TYR 65 Cb -0.14 -0.11 0.13 0.00 0.38 0.00 0.00 41.96 42.23 1u99 s TYR 65 CO -0.03 -0.20 1.37 0.20 -1.52 0.00 0.00 175.55 175.36 1u99 s GLY 66 N -1.21 -0.45 0.00 5.49 0.00 -1.10 -1.03 107.32 109.02 1u99 s GLY 66 Ca -0.13 0.80 -0.00 0.00 0.00 0.00 0.00 44.72 45.39 1u99 s GLY 66 CO 0.00 0.47 0.00 -1.05 0.00 0.00 0.00 173.10 172.53 1u99 n PRO 67 N -0.52 -1.20 -2.61 2.90 -0.02 -1.26 -4.44 135.00 127.85 1u99 n PRO 67 Ca -0.09 -0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.02 1u99 n PRO 67 Cb 0.63 -0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.06 1u99 n PRO 67 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1u99 s GLU 68 N -3.00 4.33 -1.66 -0.52 2.12 -1.26 -3.27 118.70 115.44 1u99 s GLU 68 Ca 0.00 1.48 0.00 0.00 0.36 0.00 0.00 54.97 56.81 1u99 s GLU 68 Cb -0.00 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.72 1u99 s GLU 68 CO 0.00 0.02 0.00 0.43 -0.54 0.00 0.00 175.26 175.17 1u99 n SER 69 N 0.22 -5.10 0.15 -1.70 7.64 -1.26 -4.87 113.62 108.70 1u99 n SER 69 Ca 0.04 0.20 0.12 0.00 1.01 0.00 0.00 58.87 60.23 1u99 n SER 69 Cb 0.49 -4.17 0.07 0.00 -1.01 0.00 0.00 64.21 59.60 1u99 n SER 69 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1u99 h SER 70 N 0.00 0.00 0.00 6.43 4.64 -1.89 -3.42 113.55 119.31 1u99 h SER 70 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1u99 h SER 70 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1u99 h SER 70 CO 0.50 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1u99 n GLY 71 N 1.15 0.95 0.18 -0.77 0.00 -1.26 -3.97 105.19 101.47 1u99 n GLY 71 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1u99 n GLY 71 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1u99 h LYS 72 N 1.37 0.00 0.00 1.61 2.10 -1.91 -2.42 116.57 117.32 1u99 h LYS 72 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1u99 h LYS 72 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1u99 h LYS 72 CO 0.00 0.44 -0.13 1.79 -2.00 0.00 0.00 179.45 179.55 1u99 h THR 73 N 0.00 1.60 -0.76 0.07 1.35 -1.97 -2.52 112.91 110.67 1u99 h THR 73 Ca -0.00 -1.93 0.17 0.00 -0.55 0.00 0.00 66.41 64.10 1u99 h THR 73 Cb 0.88 2.86 -0.11 0.00 -1.73 0.00 0.00 68.15 70.05 1u99 h THR 73 CO 0.06 0.51 0.22 0.74 -0.25 0.00 0.00 175.52 176.80 1u99 h THR 74 N -0.66 0.52 0.30 6.82 2.02 -1.97 0.22 112.91 120.16 1u99 h THR 74 Ca -0.02 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1u99 h THR 74 Cb 0.91 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1u99 h THR 74 CO 0.02 0.06 -0.23 0.25 0.37 0.00 0.00 175.52 175.99 1u99 h LEU 75 N 0.31 -0.60 -1.64 2.58 6.46 -1.43 -0.15 115.31 120.83 1u99 h LEU 75 Ca 0.44 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.24 1u99 h LEU 75 Cb 0.75 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1u99 h LEU 75 CO -0.50 -0.35 0.20 0.00 -0.62 0.00 0.00 178.44 177.17 1u99 h THR 76 N -0.54 1.09 -0.27 1.05 1.03 -0.75 -1.80 112.91 112.73 1u99 h THR 76 Ca -0.02 -0.20 -0.08 0.00 -0.01 0.00 0.00 66.41 66.09 1u99 h THR 76 Cb 0.47 0.62 -0.01 0.00 -1.07 0.00 0.00 68.15 68.16 1u99 h THR 76 CO -0.01 0.10 -0.16 -0.07 -0.01 0.00 0.00 175.52 175.37 1u99 h LEU 77 N 0.45 0.61 -0.83 0.00 3.38 -0.08 -2.63 115.31 116.22 1u99 h LEU 77 Ca 0.12 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.73 1u99 h LEU 77 Cb -0.03 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1u99 h LEU 77 CO -0.02 0.90 0.50 1.56 0.09 0.00 0.00 178.44 181.47 1u99 h GLN 78 N 0.32 0.88 -0.26 1.13 1.08 -0.23 0.03 115.11 118.07 1u99 h GLN 78 Ca 0.06 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1u99 h GLN 78 Cb 0.69 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1u99 h GLN 78 CO 0.05 0.58 -0.23 -0.39 -0.95 0.00 0.00 178.83 177.89 1u99 h VAL 79 N 0.91 1.26 -0.40 -0.54 -1.51 -1.29 -0.49 116.25 114.18 1u99 h VAL 79 Ca 0.37 -1.23 -0.03 0.00 -1.23 0.00 0.00 66.70 64.58 1u99 h VAL 79 Cb 0.20 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 1u99 h VAL 79 CO -0.18 0.39 0.15 0.40 -1.23 0.00 0.00 177.57 177.10 1u99 h ILE 80 N 0.43 1.20 0.29 7.19 2.04 -0.86 0.11 117.51 127.92 1u99 h ILE 80 Ca 0.07 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1u99 h ILE 80 Cb 0.64 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1u99 h ILE 80 CO 0.05 0.23 -0.31 0.00 0.00 0.00 0.00 178.15 178.11 1u99 h ALA 81 N 0.99 -0.65 -0.75 1.87 0.00 -0.60 0.15 119.26 120.27 1u99 h ALA 81 Ca 0.13 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1u99 h ALA 81 Cb 0.22 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1u99 h ALA 81 CO -0.01 -0.90 0.40 0.00 0.00 0.00 0.00 179.25 178.74 1u99 h ALA 82 N -0.09 1.05 0.42 0.00 0.00 -0.95 0.25 119.26 119.93 1u99 h ALA 82 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1u99 h ALA 82 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u99 h ALA 82 CO -0.07 0.01 -0.20 0.00 0.00 0.00 0.00 179.25 178.99 1u99 h ALA 83 N 1.43 -0.57 -0.45 0.00 0.00 -0.21 -2.71 119.26 116.75 1u99 h ALA 83 Ca 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1u99 h ALA 83 Cb 0.35 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1u99 h ALA 83 CO -0.25 -0.80 0.24 1.96 0.00 0.00 0.00 179.25 180.39 1u99 h GLN 84 N -0.60 0.61 0.00 0.00 4.20 -0.35 -0.79 115.11 118.18 1u99 h GLN 84 Ca -0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1u99 h GLN 84 Cb 0.46 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1u99 h GLN 84 CO 0.10 0.46 0.00 -2.13 -0.67 0.00 0.00 178.83 176.58 1u99 n ARG 85 N -4.42 0.28 -0.13 1.46 0.63 0.83 -1.07 116.66 114.25 1u99 n ARG 85 Ca 0.03 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.97 1u99 n ARG 85 Cb 0.10 -1.16 0.01 0.00 0.45 0.00 0.00 32.46 31.86 1u99 n ARG 85 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1u99 n GLU 86 N -0.66 0.60 -0.69 -0.14 1.02 -0.34 -5.00 120.64 115.42 1u99 n GLU 86 Ca 0.02 -0.96 0.00 0.00 -0.02 0.00 0.00 57.16 56.20 1u99 n GLU 86 Cb 0.01 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1u99 n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u99 n GLY 87 N -0.20 0.80 3.74 0.62 0.00 -0.23 -5.03 105.19 104.89 1u99 n GLY 87 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1u99 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u99 s LYS 88 N -0.31 4.67 -0.15 1.61 -0.14 -0.96 -4.99 119.74 119.47 1u99 s LYS 88 Ca 0.00 1.65 -0.22 0.00 -1.36 0.00 0.00 55.97 56.04 1u99 s LYS 88 Cb 0.00 -3.28 -0.03 0.00 -1.68 0.00 0.00 37.83 32.84 1u99 s LYS 88 CO 0.00 0.20 0.68 0.99 -0.76 0.00 0.00 175.35 176.46 1u99 s THR 89 N -0.53 5.01 0.06 2.17 2.01 -1.26 -3.93 115.64 119.16 1u99 s THR 89 Ca 0.47 1.32 0.06 0.00 0.31 0.00 0.00 61.69 63.85 1u99 s THR 89 Cb -0.28 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1u99 s THR 89 CO 0.35 0.15 -0.11 0.00 -0.69 0.00 0.00 174.62 174.32 1u99 s ALA 91 N -1.08 1.20 -0.35 0.00 0.00 -0.41 -1.11 121.76 120.02 1u99 s ALA 91 Ca 0.19 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1u99 s ALA 91 Cb -0.11 -0.43 0.07 0.00 0.00 0.00 0.00 23.12 22.65 1u99 s ALA 91 CO 0.10 0.20 0.10 0.12 0.00 0.00 0.00 175.76 176.27 1u99 s PHE 92 N 0.19 3.38 -0.60 0.00 5.36 0.17 -0.91 117.98 125.57 1u99 s PHE 92 Ca -0.05 -1.98 -0.22 0.00 -0.96 0.00 0.00 56.93 53.72 1u99 s PHE 92 Cb -0.11 -2.55 0.06 0.00 -0.34 0.00 0.00 43.02 40.09 1u99 s PHE 92 CO 0.02 -0.85 0.89 0.42 -1.46 0.00 0.00 175.22 174.24 1u99 s ILE 93 N 1.24 4.45 -0.19 3.12 -1.09 0.15 -1.73 121.20 127.15 1u99 s ILE 93 Ca 0.00 -0.22 -0.10 0.00 -2.23 0.00 0.00 60.65 58.11 1u99 s ILE 93 Cb -0.21 -4.57 -0.05 0.00 -1.58 0.00 0.00 42.46 36.05 1u99 s ILE 93 CO -0.01 -1.24 0.13 -0.62 -1.23 0.00 0.00 174.94 171.97 1u99 s ASP 94 N 3.28 6.20 0.00 3.58 2.15 0.14 -0.98 116.67 131.03 1u99 s ASP 94 Ca 0.23 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.46 1u99 s ASP 94 Cb -0.16 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1u99 s ASP 94 CO 0.13 0.21 0.34 0.00 -0.17 0.00 0.00 175.17 175.67 1u99 n ALA 95 N 3.34 1.02 -0.10 3.66 0.00 0.15 -4.00 120.51 124.58 1u99 n ALA 95 Ca -0.16 -0.34 -0.10 0.00 0.00 0.00 0.00 53.44 52.84 1u99 n ALA 95 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 1u99 n ALA 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u99 n GLU 96 N -0.06 0.82 -3.56 0.00 -0.58 -1.03 -4.78 120.64 111.46 1u99 n GLU 96 Ca 0.00 -0.01 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1u99 n GLU 96 Cb 0.25 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.70 1u99 n GLU 96 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1u99 n HIS 97 N -2.73 -2.76 0.01 -0.32 8.25 -1.26 -4.92 115.22 111.49 1u99 n HIS 97 Ca -0.32 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1u99 n HIS 97 Cb 1.13 -5.00 -0.00 0.00 1.12 0.00 0.00 29.99 27.24 1u99 n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u99 n ALA 98 N -4.85 2.14 -1.55 -1.41 0.00 -1.26 -5.07 120.51 108.51 1u99 n ALA 98 Ca -0.03 -0.12 -0.55 0.00 0.00 0.00 0.00 53.44 52.74 1u99 n ALA 98 Cb 0.57 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 1u99 n ALA 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u99 n LEU 99 N -0.77 0.85 -4.17 0.00 7.94 -1.26 -4.93 117.00 114.66 1u99 n LEU 99 Ca 0.00 1.14 -0.39 0.00 -1.11 0.00 0.00 56.01 55.64 1u99 n LEU 99 Cb 0.00 -1.07 -0.08 0.00 0.53 0.00 0.00 43.42 42.80 1u99 n LEU 99 CO 0.00 -1.49 0.07 -0.62 -1.11 0.00 0.00 177.39 174.25 1u99 s ASP 100 N 0.20 5.64 0.43 1.96 -1.08 -1.26 -4.96 116.67 117.61 1u99 s ASP 100 Ca 0.86 -2.50 0.13 0.00 -0.52 0.00 0.00 52.55 50.52 1u99 s ASP 100 Cb -1.08 -1.96 1.00 0.00 -1.46 0.00 0.00 42.92 39.42 1u99 s ASP 100 CO 0.52 -0.51 1.99 1.55 0.52 0.00 0.00 175.17 179.24 1u99 h PRO 101 N 7.64 0.43 0.07 4.34 0.13 -1.99 -0.51 132.00 142.12 1u99 h PRO 101 Ca -0.06 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1u99 h PRO 101 Cb 1.01 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1u99 h PRO 101 CO 0.76 0.28 -0.03 0.82 -0.23 0.00 0.00 178.00 179.60 1u99 h ILE 102 N 0.44 1.07 -0.55 -3.56 2.04 -2.00 -0.88 117.51 114.07 1u99 h ILE 102 Ca 0.26 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1u99 h ILE 102 Cb 0.46 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1u99 h ILE 102 CO -0.07 0.12 0.07 0.22 0.00 0.00 0.00 178.15 178.48 1u99 h TYR 103 N -0.30 0.94 -0.51 1.37 3.20 -1.86 -2.47 116.97 117.33 1u99 h TYR 103 Ca -0.01 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.76 1u99 h TYR 103 Cb 0.26 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1u99 h TYR 103 CO -0.00 0.82 0.32 0.00 -1.64 0.00 0.00 178.16 177.66 1u99 h ALA 104 N 1.23 0.65 -0.40 1.82 0.00 -0.92 -2.56 119.26 119.08 1u99 h ALA 104 Ca 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1u99 h ALA 104 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1u99 h ALA 104 CO 0.01 0.06 0.25 0.00 0.00 0.00 0.00 179.25 179.57 1u99 h ARG 105 N 0.66 0.54 0.00 0.00 3.08 -0.86 -0.34 114.38 117.45 1u99 h ARG 105 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1u99 h ARG 105 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1u99 h ARG 105 CO -0.06 0.39 0.01 1.63 -1.07 0.00 0.00 179.97 180.86 1u99 n LYS 106 N -4.78 0.07 0.00 0.04 5.02 -0.96 -0.09 118.16 117.46 1u99 n LYS 106 Ca 0.00 0.57 0.10 0.00 -2.02 0.00 0.00 58.31 56.96 1u99 n LYS 106 Cb 0.04 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.21 1u99 n LYS 106 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1u99 n LEU 107 N -1.89 1.09 0.00 -0.35 4.77 -0.20 -4.85 117.00 115.57 1u99 n LEU 107 Ca -0.01 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1u99 n LEU 107 Cb 0.03 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1u99 n LEU 107 CO 0.05 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1u99 n GLY 108 N 1.49 0.85 3.75 -0.72 0.00 0.87 -4.89 105.19 106.53 1u99 n GLY 108 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1u99 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u99 s VAL 109 N -2.00 3.54 -1.24 1.61 1.01 -0.83 -4.70 120.40 117.78 1u99 s VAL 109 Ca 0.00 1.37 -0.13 0.00 0.00 0.00 0.00 61.98 63.22 1u99 s VAL 109 Cb 0.00 -3.88 0.16 0.00 0.00 0.00 0.00 36.38 32.66 1u99 s VAL 109 CO 0.00 0.26 1.60 -0.67 0.00 0.00 0.00 175.10 176.28 1u99 n ASP 110 N 2.02 5.13 -0.24 3.32 -0.08 -1.26 -4.38 116.55 121.07 1u99 n ASP 110 Ca 0.02 -3.00 0.03 0.00 -1.51 0.00 0.00 54.79 50.33 1u99 n ASP 110 Cb 0.45 -1.56 0.12 0.00 2.34 0.00 0.00 41.12 42.46 1u99 n ASP 110 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1u99 h ILE 111 N 4.47 0.36 -0.98 5.18 1.08 -1.93 -0.66 117.51 125.03 1u99 h ILE 111 Ca 0.36 -0.02 0.21 0.00 -0.39 0.00 0.00 64.86 65.02 1u99 h ILE 111 Cb 0.80 0.28 -0.09 0.00 -3.07 0.00 0.00 36.82 34.75 1u99 h ILE 111 CO 1.38 0.01 0.62 0.44 -0.69 0.00 0.00 178.15 179.91 1u99 h ASP 112 N 0.07 0.56 -0.21 1.72 3.45 -2.01 -0.44 116.42 119.56 1u99 h ASP 112 Ca 0.37 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.90 1u99 h ASP 112 Cb 0.62 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 1u99 h ASP 112 CO -0.66 0.19 0.00 0.59 -1.57 0.00 0.00 179.24 177.79 1u99 n ASN 113 N -4.63 3.10 -4.67 6.45 3.02 -0.34 -4.91 115.26 113.28 1u99 n ASN 113 Ca 0.22 -1.96 -0.43 0.00 -0.03 0.00 0.00 54.58 52.38 1u99 n ASN 113 Cb 0.70 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.72 1u99 n ASN 113 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1u99 s LEU 114 N -1.74 4.22 0.27 3.41 0.20 -0.17 -4.70 118.68 120.16 1u99 s LEU 114 Ca 0.34 1.76 -0.30 0.00 0.69 0.00 0.00 54.13 56.62 1u99 s LEU 114 Cb 0.21 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 42.34 1u99 s LEU 114 CO 0.31 -0.71 1.04 -0.76 -0.29 0.00 0.00 176.35 175.93 1u99 s LEU 115 N 3.11 4.58 -0.00 -0.68 1.43 -0.26 -4.92 118.68 121.92 1u99 s LEU 115 Ca 0.56 2.14 0.01 0.00 -1.03 0.00 0.00 54.13 55.82 1u99 s LEU 115 Cb -0.23 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 1u99 s LEU 115 CO 0.18 -0.04 -0.04 0.00 0.23 0.00 0.00 176.35 176.68 1u99 s SER 117 N -0.05 0.57 -0.64 0.00 0.15 -0.71 -4.96 113.70 108.07 1u99 s SER 117 Ca 0.01 -0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.64 1u99 s SER 117 Cb -0.02 -0.22 0.17 0.00 -1.71 0.00 0.00 66.02 64.24 1u99 s SER 117 CO -0.00 -0.04 0.47 0.00 1.20 0.00 0.00 173.24 174.87 1u99 n GLN 118 N 3.71 1.49 -1.22 5.44 6.02 -1.26 0.24 117.38 131.80 1u99 n GLN 118 Ca -0.22 -4.20 -0.35 0.00 -0.01 0.00 0.00 57.00 52.22 1u99 n GLN 118 Cb 0.53 -2.15 0.09 0.00 1.02 0.00 0.00 30.24 29.74 1u99 n GLN 118 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1u99 n PRO 119 N 2.11 0.29 0.12 -1.09 -0.02 -1.26 -4.98 135.00 130.19 1u99 n PRO 119 Ca 0.22 0.15 -0.01 0.00 -2.02 0.00 0.00 63.50 61.85 1u99 n PRO 119 Cb 0.38 -2.10 0.08 0.00 -0.02 0.00 0.00 33.50 31.84 1u99 n PRO 119 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1u99 h ASP 120 N -0.56 0.00 -5.66 2.55 3.32 -1.96 -3.48 116.42 110.64 1u99 h ASP 120 Ca -0.46 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.24 1u99 h ASP 120 Cb 1.33 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.78 1u99 h ASP 120 CO 0.44 0.66 -0.29 0.42 -1.72 0.00 0.00 179.24 178.75 1u99 s THR 121 N -3.16 0.00 0.06 0.35 -4.23 -1.26 -5.01 115.64 102.39 1u99 s THR 121 Ca 0.01 -1.73 -0.17 0.00 -1.18 0.00 0.00 61.69 58.61 1u99 s THR 121 Cb 0.10 -2.61 -0.15 0.00 1.34 0.00 0.00 72.50 71.19 1u99 s THR 121 CO 0.76 0.00 1.30 1.23 -0.54 0.00 0.00 174.62 177.37 1u99 h GLY 122 N 2.11 0.61 0.93 3.99 0.00 -1.09 -2.59 103.07 107.02 1u99 h GLY 122 Ca -0.27 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.34 1u99 h GLY 122 CO 0.38 0.67 0.52 0.83 0.00 0.00 0.00 176.54 178.93 1u99 h GLU 123 N 0.20 1.00 -0.39 4.80 3.07 -1.87 -1.64 114.58 119.74 1u99 h GLU 123 Ca -0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1u99 h GLU 123 Cb 1.00 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 1u99 h GLU 123 CO 0.08 0.66 0.24 0.37 -1.40 0.00 0.00 179.01 178.97 1u99 h GLN 124 N 1.03 0.53 -0.01 2.33 4.15 -1.94 0.78 115.11 121.98 1u99 h GLN 124 Ca 0.31 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.71 1u99 h GLN 124 Cb -0.04 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 1u99 h GLN 124 CO -0.09 0.38 -0.13 0.00 -1.93 0.00 0.00 178.83 177.06 1u99 h ALA 125 N 1.11 -0.14 -0.82 3.38 0.00 -1.03 0.40 119.26 122.16 1u99 h ALA 125 Ca 0.14 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1u99 h ALA 125 Cb -0.01 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1u99 h ALA 125 CO -0.03 -0.62 0.50 -0.07 0.00 0.00 0.00 179.25 179.03 1u99 h LEU 126 N -0.21 0.77 -0.64 0.00 3.38 -1.04 0.21 115.31 117.77 1u99 h LEU 126 Ca 0.05 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1u99 h LEU 126 Cb 0.27 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1u99 h LEU 126 CO -0.13 0.48 0.17 -0.33 0.09 0.00 0.00 178.44 178.73 1u99 h GLU 127 N 0.90 1.01 -0.27 1.13 5.08 0.25 -0.43 114.58 122.25 1u99 h GLU 127 Ca 0.37 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1u99 h GLU 127 Cb 0.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1u99 h GLU 127 CO -0.19 0.90 -0.08 0.82 -1.00 0.00 0.00 179.01 179.46 1u99 h ILE 128 N 0.94 1.21 -0.19 3.13 2.04 0.47 -0.97 117.51 124.12 1u99 h ILE 128 Ca 0.20 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1u99 h ILE 128 Cb 0.33 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1u99 h ILE 128 CO -0.00 0.29 0.06 0.00 0.00 0.00 0.00 178.15 178.49 1u99 h ASP 130 N 0.14 0.30 -0.08 0.00 3.58 -0.66 0.21 116.42 119.90 1u99 h ASP 130 Ca 0.06 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.54 1u99 h ASP 130 Cb 0.23 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1u99 h ASP 130 CO -0.00 0.22 -0.05 0.00 -2.88 0.00 0.00 179.24 176.52 1u99 h ALA 131 N 1.15 0.02 -0.98 -0.78 0.00 -1.09 0.76 119.26 118.33 1u99 h ALA 131 Ca 0.13 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1u99 h ALA 131 Cb 0.01 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1u99 h ALA 131 CO -0.07 -0.52 0.64 -0.07 0.00 0.00 0.00 179.25 179.24 1u99 h LEU 132 N -0.06 1.07 -0.90 0.00 3.38 -0.87 -0.59 115.31 117.34 1u99 h LEU 132 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1u99 h LEU 132 Cb 0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1u99 h LEU 132 CO -0.12 0.72 0.57 0.00 0.09 0.00 0.00 178.44 179.70 1u99 h ALA 133 N 1.43 1.15 0.00 1.53 0.00 0.54 -2.36 119.26 121.55 1u99 h ALA 133 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1u99 h ALA 133 Cb 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1u99 h ALA 133 CO -0.13 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1u99 h ARG 134 N 1.23 0.00 -0.07 0.00 3.08 0.12 -3.19 114.38 115.55 1u99 h ARG 134 Ca 0.33 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.30 1u99 h ARG 134 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1u99 h ARG 134 CO -0.07 0.00 -0.32 0.66 -1.07 0.00 0.00 179.97 179.17 1u99 h SER 135 N 0.00 0.12 -0.93 7.04 4.64 -0.58 -3.46 113.55 120.39 1u99 h SER 135 Ca 0.00 -0.04 -0.29 0.00 -0.47 0.00 0.00 61.79 60.99 1u99 h SER 135 Cb 0.76 -0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 62.72 1u99 h SER 135 CO 0.00 0.45 -0.28 0.61 -0.87 0.00 0.00 176.83 176.73 1u99 n GLY 136 N -0.49 1.18 0.00 -0.77 0.00 -1.21 -4.85 105.19 99.06 1u99 n GLY 136 Ca -0.02 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.70 1u99 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u99 n ALA 137 N 0.74 2.80 -2.55 4.61 0.00 -1.26 -4.99 120.51 119.86 1u99 n ALA 137 Ca -0.15 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 1u99 n ALA 137 Cb 0.50 -0.24 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 1u99 n ALA 137 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u99 s VAL 138 N -1.71 3.26 -0.16 0.00 1.01 -1.26 -4.77 120.40 116.76 1u99 s VAL 138 Ca 0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1u99 s VAL 138 Cb 0.05 -2.30 -0.24 0.00 0.00 0.00 0.00 36.38 33.90 1u99 s VAL 138 CO 0.27 0.59 0.19 0.47 0.00 0.00 0.00 175.10 176.63 1u99 n ASP 139 N 2.37 2.09 -3.84 3.32 8.00 -0.04 -4.64 116.55 123.80 1u99 n ASP 139 Ca -0.17 0.11 -0.15 0.00 0.71 0.00 0.00 54.79 55.28 1u99 n ASP 139 Cb 0.52 -0.74 -0.15 0.00 -0.02 0.00 0.00 41.12 40.73 1u99 n ASP 139 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1u99 s VAL 140 N -2.55 0.12 -0.04 2.53 0.11 -1.11 -0.21 120.40 119.25 1u99 s VAL 140 Ca -0.26 0.05 0.06 0.00 -2.93 0.00 0.00 61.98 58.90 1u99 s VAL 140 Cb 0.07 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 1u99 s VAL 140 CO 0.72 0.09 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.75 1u99 s ILE 141 N 0.61 2.51 -0.10 7.04 1.01 0.72 -1.29 121.20 131.70 1u99 s ILE 141 Ca -0.06 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1u99 s ILE 141 Cb -0.08 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.47 1u99 s ILE 141 CO -0.01 0.58 -0.12 -0.69 0.00 0.00 0.00 174.94 174.70 1u99 s VAL 142 N -0.61 1.27 -0.29 2.92 1.01 -0.08 -0.58 120.40 124.03 1u99 s VAL 142 Ca 0.09 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1u99 s VAL 142 Cb -0.11 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1u99 s VAL 142 CO 0.00 0.40 0.13 -0.69 0.00 0.00 0.00 175.10 174.94 1u99 s VAL 143 N 1.13 4.57 -0.32 2.92 1.01 0.12 0.29 120.40 130.12 1u99 s VAL 143 Ca -0.05 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1u99 s VAL 143 Cb -0.14 -3.26 0.09 0.00 0.00 0.00 0.00 36.38 33.06 1u99 s VAL 143 CO -0.03 0.16 0.02 -0.62 0.00 0.00 0.00 175.10 174.64 1u99 s ASP 144 N 1.63 4.60 0.22 3.32 2.15 -0.15 -1.30 116.67 127.13 1u99 s ASP 144 Ca 0.05 -1.94 -0.05 0.00 0.43 0.00 0.00 52.55 51.04 1u99 s ASP 144 Cb -0.16 -1.52 -0.03 0.00 -0.30 0.00 0.00 42.92 40.91 1u99 s ASP 144 CO 0.06 -0.35 0.25 -0.94 -0.17 0.00 0.00 175.17 174.02 1u99 s SER 145 N 1.02 0.08 0.28 -0.34 1.04 -1.26 0.30 113.70 114.82 1u99 s SER 145 Ca 0.07 -1.24 0.01 0.00 0.48 0.00 0.00 55.95 55.27 1u99 s SER 145 Cb -0.19 0.45 0.56 0.00 0.10 0.00 0.00 66.02 66.94 1u99 s SER 145 CO -0.09 -0.95 1.81 0.58 0.98 0.00 0.00 173.24 175.58 1u99 h VAL 146 N 2.49 0.86 0.00 5.02 2.07 -0.98 -1.78 116.25 123.94 1u99 h VAL 146 Ca -0.32 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1u99 h VAL 146 Cb 1.25 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1u99 h VAL 146 CO 0.47 0.16 -0.29 0.00 0.02 0.00 0.00 177.57 177.93 1u99 h ALA 147 N 1.55 1.26 -0.00 1.67 0.00 -1.92 -2.75 119.26 119.07 1u99 h ALA 147 Ca 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1u99 h ALA 147 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u99 h ALA 147 CO -0.29 0.36 -0.21 0.00 0.00 0.00 0.00 179.25 179.10 1u99 n ALA 148 N -2.37 2.94 -1.09 0.00 0.00 -0.69 -4.57 120.51 114.74 1u99 n ALA 148 Ca -0.01 -0.28 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 1u99 n ALA 148 Cb 0.38 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1u99 n ALA 148 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u99 n LEU 149 N -1.13 5.94 -4.69 0.00 4.32 -1.04 -4.89 117.00 115.52 1u99 n LEU 149 Ca 0.11 -3.42 -0.42 0.00 -0.02 0.00 0.00 56.01 52.26 1u99 n LEU 149 Cb 0.31 -1.29 -0.03 0.00 -1.62 0.00 0.00 43.42 40.80 1u99 n LEU 149 CO 0.27 0.83 1.45 -0.89 -1.22 0.00 0.00 177.39 177.84 1u99 s THR 150 N 3.41 2.72 0.44 -5.08 2.01 -1.26 -4.34 115.64 113.55 1u99 s THR 150 Ca 0.51 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.42 1u99 s THR 150 Cb 0.13 -3.11 -0.09 0.00 0.01 0.00 0.00 72.50 69.45 1u99 s THR 150 CO -0.02 -0.00 1.42 -2.84 -0.69 0.00 0.00 174.62 172.49 1u99 s PRO 151 N 2.91 3.76 0.23 4.92 0.02 -1.26 -0.68 135.00 144.91 1u99 s PRO 151 Ca 0.80 2.41 -0.07 0.00 0.02 0.00 0.00 61.00 64.16 1u99 s PRO 151 Cb -0.44 -2.70 0.41 0.00 0.02 0.00 0.00 34.50 31.80 1u99 s PRO 151 CO 0.36 -0.75 1.68 -0.22 -0.33 0.00 0.00 177.00 177.74 1u99 h LYS 152 N 2.43 0.23 -0.47 5.54 3.64 -1.94 -0.90 116.57 125.10 1u99 h LYS 152 Ca -0.51 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1u99 h LYS 152 Cb 1.26 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.96 1u99 h LYS 152 CO 0.62 0.16 0.07 0.00 -2.27 0.00 0.00 179.45 178.03 1u99 h ALA 153 N 1.59 0.50 -0.32 5.00 0.00 -1.92 -1.32 119.26 122.79 1u99 h ALA 153 Ca 0.39 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 1u99 h ALA 153 Cb 0.65 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1u99 h ALA 153 CO -0.50 -0.33 -0.15 1.49 0.00 0.00 0.00 179.25 179.76 1u99 h GLU 154 N 0.20 0.56 0.00 0.00 4.81 -1.57 -2.29 114.58 116.29 1u99 h GLU 154 Ca 0.23 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1u99 h GLU 154 Cb 0.31 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1u99 h GLU 154 CO -0.32 0.69 -0.17 0.82 -0.73 0.00 0.00 179.01 179.30 1u99 h ILE 155 N 0.51 1.11 0.02 2.32 2.04 -0.21 -3.49 117.51 119.80 1u99 h ILE 155 Ca 0.09 -0.59 -0.29 0.00 1.00 0.00 0.00 64.86 65.07 1u99 h ILE 155 Cb 0.56 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1u99 h ILE 155 CO 0.04 0.17 -1.65 -0.33 0.00 0.00 0.00 178.15 176.38 1u99 h GLU 156 N 0.00 0.04 0.00 2.37 4.39 -0.75 -3.51 114.58 117.12 1u99 h GLU 156 Ca -0.00 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1u99 h GLU 156 Cb 0.31 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1u99 h GLU 156 CO 0.02 0.67 0.00 0.41 -1.16 0.00 0.00 179.01 178.95 1u99 n GLY 165 N 1.59 -0.37 0.12 -3.84 0.00 -1.26 -4.95 105.19 96.47 1u99 n GLY 165 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1u99 n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u99 h LEU 166 N 0.00 0.32 -0.50 0.99 3.38 -2.03 -2.68 115.31 114.80 1u99 h LEU 166 Ca 0.00 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.47 1u99 h LEU 166 Cb 0.00 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1u99 h LEU 166 CO 0.00 0.81 0.24 0.00 0.09 0.00 0.00 178.44 179.58 1u99 h ALA 167 N 0.53 0.64 -0.85 1.53 0.00 -1.96 0.53 119.26 119.67 1u99 h ALA 167 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1u99 h ALA 167 Cb 0.74 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1u99 h ALA 167 CO 0.04 -0.11 0.46 0.00 0.00 0.00 0.00 179.25 179.64 1u99 h ALA 168 N 1.28 1.21 -0.21 0.00 0.00 -1.75 -1.84 119.26 117.96 1u99 h ALA 168 Ca 0.22 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1u99 h ALA 168 Cb 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1u99 h ALA 168 CO -0.17 0.63 -0.53 -0.09 0.00 0.00 0.00 179.25 179.09 1u99 h ARG 169 N 1.19 0.60 -0.49 0.00 2.43 -1.01 -1.79 114.38 115.30 1u99 h ARG 169 Ca 0.30 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1u99 h ARG 169 Cb 0.03 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1u99 h ARG 169 CO -0.05 0.98 0.24 1.98 -1.51 0.00 0.00 179.97 181.61 1u99 h MET 170 N 0.46 0.71 -0.11 0.20 4.05 -0.51 0.42 114.93 120.15 1u99 h MET 170 Ca 0.01 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1u99 h MET 170 Cb 1.08 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.75 1u99 h MET 170 CO 0.10 0.59 0.02 0.52 0.23 0.00 0.00 176.91 178.37 1u99 h MET 171 N 0.65 0.18 -0.18 0.39 2.86 -1.28 -3.01 114.93 114.54 1u99 h MET 171 Ca 0.17 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1u99 h MET 171 Cb 0.11 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1u99 h MET 171 CO -0.02 0.39 0.11 0.77 1.06 0.00 0.00 176.91 179.22 1u99 h SER 172 N -0.05 0.21 -0.63 1.22 0.02 -1.17 -0.52 113.55 112.62 1u99 h SER 172 Ca 0.03 -0.03 0.18 0.00 -0.84 0.00 0.00 61.79 61.13 1u99 h SER 172 Cb 0.30 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1u99 h SER 172 CO 0.00 0.18 0.64 -0.61 -1.14 0.00 0.00 176.83 175.90 1u99 h GLN 173 N 0.22 0.00 0.00 3.45 5.75 -0.10 -2.79 115.11 121.64 1u99 h GLN 173 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1u99 h GLN 173 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1u99 h GLN 173 CO -0.01 0.00 -0.14 0.00 -2.65 0.00 0.00 178.83 176.03 1u99 n ALA 174 N -2.39 2.34 -0.28 3.38 0.00 -0.91 -4.83 120.51 117.82 1u99 n ALA 174 Ca 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1u99 n ALA 174 Cb 0.87 -0.10 0.07 0.00 0.00 0.00 0.00 19.45 20.29 1u99 n ALA 174 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1u99 h MET 175 N 0.00 1.18 0.19 0.00 4.05 -0.82 -2.55 114.93 116.98 1u99 h MET 175 Ca 0.00 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.18 1u99 h MET 175 Cb 0.06 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1u99 h MET 175 CO 0.00 0.97 -0.09 -0.09 0.23 0.00 0.00 176.91 177.93 1u99 h ARG 176 N 1.15 -0.25 -0.21 0.39 2.43 -1.87 -1.83 114.38 114.18 1u99 h ARG 176 Ca 0.26 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 1u99 h ARG 176 Cb 0.25 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1u99 h ARG 176 CO -0.02 -0.03 0.02 0.87 -1.51 0.00 0.00 179.97 179.31 1u99 h LYS 177 N -0.44 0.09 -0.14 0.20 1.79 -1.90 -1.62 116.57 114.54 1u99 h LYS 177 Ca -0.03 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1u99 h LYS 177 Cb 0.34 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 1u99 h LYS 177 CO 0.04 0.06 -0.10 1.25 -1.08 0.00 0.00 179.45 179.62 1u99 h LEU 178 N 0.09 -0.32 -0.40 2.94 6.46 -1.44 -0.48 115.31 122.17 1u99 h LEU 178 Ca 0.10 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1u99 h LEU 178 Cb 0.11 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.15 1u99 h LEU 178 CO -0.15 -0.13 0.07 0.00 -0.62 0.00 0.00 178.44 177.60 1u99 h ALA 179 N 1.01 0.42 -0.07 1.25 0.00 -1.05 0.53 119.26 121.35 1u99 h ALA 179 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u99 h ALA 179 Cb 0.23 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1u99 h ALA 179 CO -0.21 -0.33 0.05 0.78 0.00 0.00 0.00 179.25 179.54 1u99 h GLY 180 N 0.19 0.10 1.01 0.00 0.00 -0.92 -0.64 103.07 102.82 1u99 h GLY 180 Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 1u99 h GLY 180 CO -0.26 0.04 0.25 3.43 0.00 0.00 0.00 176.54 180.00 1u99 h ASN 181 N 0.10 0.89 0.01 0.19 -0.26 -0.55 -0.47 115.58 115.50 1u99 h ASN 181 Ca 0.03 -0.18 -0.05 0.00 -0.56 0.00 0.00 56.30 55.54 1u99 h ASN 181 Cb -0.01 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1u99 h ASN 181 CO -0.01 0.83 -0.14 -0.07 -1.06 0.00 0.00 177.43 176.98 1u99 h LEU 182 N 0.91 0.25 0.05 1.61 3.38 0.20 -2.49 115.31 119.22 1u99 h LEU 182 Ca 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1u99 h LEU 182 Cb 0.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1u99 h LEU 182 CO -0.02 0.42 -0.02 0.11 0.09 0.00 0.00 178.44 179.02 1u99 h LYS 183 N 0.25 -0.06 -0.14 1.13 1.79 -0.64 0.19 116.57 119.09 1u99 h LYS 183 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1u99 h LYS 183 Cb 0.41 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1u99 h LYS 183 CO 0.02 0.45 0.09 0.37 -1.08 0.00 0.00 179.45 179.30 1u99 h GLN 184 N -0.61 0.17 -0.13 3.15 5.75 -0.99 -1.96 115.11 120.47 1u99 h GLN 184 Ca -0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1u99 h GLN 184 Cb 0.54 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1u99 h GLN 184 CO 0.01 0.11 0.00 -1.13 -2.65 0.00 0.00 178.83 175.17 1u99 n SER 185 N -4.52 2.98 -1.92 -0.69 3.41 -0.95 -4.96 113.62 106.97 1u99 n SER 185 Ca -0.01 -1.92 -0.17 0.00 -0.26 0.00 0.00 58.87 56.51 1u99 n SER 185 Cb 0.09 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1u99 n SER 185 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1u99 n ASN 186 N 1.27 -5.06 -4.73 4.04 5.15 -0.69 -4.90 115.26 110.33 1u99 n ASN 186 Ca 0.14 0.01 -0.39 0.00 -0.60 0.00 0.00 54.58 53.75 1u99 n ASN 186 Cb 0.55 -4.15 -0.05 0.00 -0.53 0.00 0.00 39.78 35.60 1u99 n ASN 186 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1u99 s THR 187 N -2.85 5.01 -0.07 -0.44 2.01 0.58 -2.49 115.64 117.39 1u99 s THR 187 Ca 0.00 1.30 -0.22 0.00 0.31 0.00 0.00 61.69 63.08 1u99 s THR 187 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1u99 s THR 187 CO 0.00 0.32 0.65 -0.22 -0.69 0.00 0.00 174.62 174.68 1u99 s LEU 188 N 0.40 4.31 -0.09 4.42 2.96 0.70 -2.09 118.68 129.30 1u99 s LEU 188 Ca 0.33 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.37 1u99 s LEU 188 Cb -0.18 -3.00 0.01 0.00 0.50 0.00 0.00 46.19 43.53 1u99 s LEU 188 CO 0.17 -0.08 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.75 1u99 s LEU 189 N 0.72 1.69 -0.15 -0.68 0.20 -0.80 -0.20 118.68 119.46 1u99 s LEU 189 Ca 0.35 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.79 1u99 s LEU 189 Cb -0.17 -1.00 -0.00 0.00 -0.43 0.00 0.00 46.19 44.58 1u99 s LEU 189 CO 0.16 0.03 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.47 1u99 s ILE 190 N 0.86 2.73 -0.22 6.68 1.01 0.25 0.46 121.20 132.96 1u99 s ILE 190 Ca -0.10 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 1u99 s ILE 190 Cb -0.15 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 1u99 s ILE 190 CO 0.01 0.52 0.12 -0.36 0.00 0.00 0.00 174.94 175.23 1u99 s PHE 191 N 0.68 3.30 -0.13 3.97 0.08 0.23 0.14 117.98 126.25 1u99 s PHE 191 Ca -0.08 0.16 -0.14 0.00 0.12 0.00 0.00 56.93 57.00 1u99 s PHE 191 Cb -0.16 -2.19 -0.05 0.00 -0.57 0.00 0.00 43.02 40.06 1u99 s PHE 191 CO 0.02 0.11 0.33 0.42 -0.10 0.00 0.00 175.22 176.00 1u99 s ILE 192 N 0.75 5.26 0.16 0.64 1.01 -0.42 -1.47 121.20 127.13 1u99 s ILE 192 Ca 0.06 0.63 0.02 0.00 0.00 0.00 0.00 60.65 61.36 1u99 s ILE 192 Cb -0.13 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1u99 s ILE 192 CO 0.02 0.43 -0.00 0.21 0.00 0.00 0.00 174.94 175.59 1u99 s ASN 193 N 0.13 1.18 -0.15 3.58 3.84 0.02 -0.44 114.94 123.10 1u99 s ASN 193 Ca 0.19 -1.15 0.12 0.00 0.21 0.00 0.00 52.86 52.22 1u99 s ASN 193 Cb -0.14 0.12 -0.17 0.00 -0.55 0.00 0.00 41.25 40.51 1u99 s ASN 193 CO 0.06 -0.56 0.03 0.00 -2.79 0.00 0.00 177.10 173.84 1u99 n GLN 194 N -0.21 1.52 -4.71 0.43 6.02 -1.26 -2.70 117.38 116.46 1u99 n GLN 194 Ca -0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.64 1u99 n GLN 194 Cb 0.63 -1.37 -0.14 0.00 1.02 0.00 0.00 30.24 30.38 1u99 n GLN 194 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u99 s THR 209 N -2.35 1.94 0.37 5.09 2.01 -1.26 -4.62 115.64 116.81 1u99 s THR 209 Ca -0.09 -1.36 -0.00 0.00 0.31 0.00 0.00 61.69 60.55 1u99 s THR 209 Cb 0.04 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1u99 s THR 209 CO 0.58 0.25 0.58 -0.89 -0.69 0.00 0.00 174.62 174.45 1u99 s THR 210 N -0.85 5.00 0.00 -0.82 2.01 -1.26 -4.51 115.64 115.21 1u99 s THR 210 Ca 0.10 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1u99 s THR 210 Cb -0.10 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1u99 s THR 210 CO 0.02 -0.57 0.00 0.61 -0.69 0.00 0.00 174.62 174.00 1u99 n GLY 211 N -1.85 0.74 7.00 4.40 0.00 -1.26 -4.94 105.19 109.28 1u99 n GLY 211 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1u99 n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u99 n GLY 212 N -2.13 -0.41 0.03 -0.02 0.00 -1.26 -4.25 105.19 97.15 1u99 n GLY 212 Ca 0.00 -1.09 0.11 0.00 0.00 0.00 0.00 46.02 45.04 1u99 n GLY 212 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u99 n ASN 213 N 0.38 0.59 -0.15 1.61 3.02 -1.26 -4.42 115.26 115.03 1u99 n ASN 213 Ca 0.00 -0.27 -0.04 0.00 -0.03 0.00 0.00 54.58 54.24 1u99 n ASN 213 Cb 0.00 0.94 0.02 0.00 -0.61 0.00 0.00 39.78 40.13 1u99 n ASN 213 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u99 h ALA 214 N 2.53 0.12 -0.42 5.41 0.00 -1.90 -1.25 119.26 123.76 1u99 h ALA 214 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1u99 h ALA 214 Cb 0.73 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1u99 h ALA 214 CO 0.00 -0.56 -0.28 1.25 0.00 0.00 0.00 179.25 179.65 1u99 h LEU 215 N -0.12 0.94 -0.92 0.00 5.85 -1.82 -1.80 115.31 117.46 1u99 h LEU 215 Ca 0.23 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1u99 h LEU 215 Cb 0.47 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1u99 h LEU 215 CO -0.56 1.16 0.58 0.50 -0.34 0.00 0.00 178.44 179.77 1u99 h LYS 216 N 0.77 1.01 0.00 1.25 3.64 -1.53 -1.91 116.57 119.79 1u99 h LYS 216 Ca 0.09 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.12 1u99 h LYS 216 Cb 0.85 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1u99 h LYS 216 CO 0.07 0.67 -1.65 0.74 -2.27 0.00 0.00 179.45 177.01 1u99 h PHE 217 N 1.04 0.00 0.00 1.91 0.04 -1.20 -3.36 116.94 115.36 1u99 h PHE 217 Ca 0.40 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.10 1u99 h PHE 217 Cb 0.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1u99 h PHE 217 CO -0.02 0.99 -0.38 1.88 -0.60 0.00 0.00 178.31 180.18 1u99 h TYR 218 N 0.00 0.00 -3.72 -0.55 0.05 -1.27 -3.46 116.97 108.03 1u99 h TYR 218 Ca -0.26 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.00 1u99 h TYR 218 Cb 1.99 0.00 0.05 0.00 1.01 0.00 0.00 36.73 39.78 1u99 h TYR 218 CO 0.00 0.33 0.63 0.00 -1.05 0.00 0.00 178.16 178.07 1u99 s ALA 219 N -3.05 3.50 -0.16 3.88 0.00 -0.72 -4.61 121.76 120.60 1u99 s ALA 219 Ca 0.05 1.18 0.18 0.00 0.00 0.00 0.00 51.96 53.36 1u99 s ALA 219 Cb 0.07 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1u99 s ALA 219 CO 0.72 -0.56 1.00 0.77 0.00 0.00 0.00 175.76 177.70 1u99 h SER 220 N 4.03 0.00 -3.58 0.00 0.02 -1.53 -3.46 113.55 109.02 1u99 h SER 220 Ca -0.47 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.23 1u99 h SER 220 Cb 1.22 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.46 1u99 h SER 220 CO 0.69 0.43 -0.64 -0.69 -1.14 0.00 0.00 176.83 175.48 1u99 s VAL 221 N -3.02 -0.03 -0.10 2.27 1.01 -1.25 -0.24 120.40 119.04 1u99 s VAL 221 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1u99 s VAL 221 Cb 0.09 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.34 1u99 s VAL 221 CO 0.79 0.05 -0.08 -0.13 0.00 0.00 0.00 175.10 175.73 1u99 s ARG 222 N 0.70 1.43 -0.10 2.72 0.52 -0.79 -1.22 118.95 122.20 1u99 s ARG 222 Ca -0.05 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1u99 s ARG 222 Cb -0.07 -1.45 -0.03 0.00 0.52 0.00 0.00 34.95 33.91 1u99 s ARG 222 CO -0.03 -0.21 -0.05 -0.51 0.02 0.00 0.00 175.30 174.53 1u99 s LEU 223 N 1.49 3.24 -0.27 2.53 1.02 0.71 -1.89 118.68 125.52 1u99 s LEU 223 Ca 0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 1u99 s LEU 223 Cb -0.13 -1.74 0.02 0.00 0.02 0.00 0.00 46.19 44.36 1u99 s LEU 223 CO -0.05 0.29 -0.01 -0.62 0.02 0.00 0.00 176.35 175.97 1u99 s ASP 224 N -0.38 4.60 0.02 2.29 -1.08 -0.37 -0.94 116.67 120.81 1u99 s ASP 224 Ca 0.06 -0.84 0.09 0.00 -0.52 0.00 0.00 52.55 51.33 1u99 s ASP 224 Cb -0.12 -1.73 -0.03 0.00 -1.46 0.00 0.00 42.92 39.58 1u99 s ASP 224 CO 0.02 -0.15 -0.26 -0.51 0.52 0.00 0.00 175.17 174.79 1u99 s ILE 225 N 1.37 2.11 0.01 4.11 2.07 -0.20 -0.50 121.20 130.17 1u99 s ILE 225 Ca 0.01 -1.27 -0.29 0.00 -1.41 0.00 0.00 60.65 57.68 1u99 s ILE 225 Cb -0.17 -1.78 0.07 0.00 0.13 0.00 0.00 42.46 40.71 1u99 s ILE 225 CO -0.02 0.46 0.66 0.00 -1.91 0.00 0.00 174.94 174.12 1u99 s ARG 226 N -0.98 1.12 -0.21 3.50 1.70 -0.92 -4.15 118.95 119.01 1u99 s ARG 226 Ca 0.11 0.05 -0.26 0.00 -0.47 0.00 0.00 55.73 55.17 1u99 s ARG 226 Cb -0.10 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1u99 s ARG 226 CO 0.01 -0.39 0.87 0.50 -1.08 0.00 0.00 175.30 175.21 1u99 s ARG 227 N -1.91 4.25 -0.00 3.89 3.52 -1.25 -2.30 118.95 125.14 1u99 s ARG 227 Ca -0.08 1.06 0.14 0.00 -0.13 0.00 0.00 55.73 56.72 1u99 s ARG 227 Cb -0.00 -3.61 -0.17 0.00 -1.56 0.00 0.00 34.95 29.61 1u99 s ARG 227 CO 0.03 -0.45 0.52 0.44 -0.81 0.00 0.00 175.30 175.03 1u99 n ILE 228 N 5.03 0.00 -3.87 4.11 -5.35 0.28 -5.00 119.36 114.56 1u99 n ILE 228 Ca 0.06 -0.21 -0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1u99 n ILE 228 Cb 0.48 0.79 0.01 0.00 -1.74 0.00 0.00 39.64 39.18 1u99 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u99 n GLY 229 N 1.42 0.56 3.78 3.28 0.00 -1.11 -4.97 105.19 108.14 1u99 n GLY 229 Ca 0.01 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 1u99 n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u99 s ALA 230 N -1.74 3.55 -0.26 4.61 0.00 -1.26 -0.62 121.76 126.04 1u99 s ALA 230 Ca 0.19 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.59 1u99 s ALA 230 Cb -0.01 -1.08 0.05 0.00 0.00 0.00 0.00 23.12 22.08 1u99 s ALA 230 CO 0.02 0.17 -0.10 0.08 0.00 0.00 0.00 175.76 175.93 1u99 s VAL 231 N -2.25 2.32 -0.11 0.00 1.01 0.26 -4.50 120.40 117.13 1u99 s VAL 231 Ca 0.35 -1.51 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 1u99 s VAL 231 Cb -0.06 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1u99 s VAL 231 CO 0.24 0.02 0.02 -0.54 0.00 0.00 0.00 175.10 174.84 1u99 s LYS 232 N 1.15 3.19 -0.97 2.72 1.02 -1.26 0.29 119.74 125.89 1u99 s LYS 232 Ca -0.07 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 1u99 s LYS 232 Cb -0.19 -2.89 0.33 0.00 -0.52 0.00 0.00 37.83 34.56 1u99 s LYS 232 CO -0.05 0.62 1.87 -1.91 -0.92 0.00 0.00 175.35 174.96 1u99 n GLU 233 N 2.39 4.70 0.00 1.68 4.07 0.10 -4.90 120.64 128.69 1u99 n GLU 233 Ca -0.18 -4.37 0.00 0.00 -0.06 0.00 0.00 57.16 52.55 1u99 n GLU 233 Cb 0.53 -2.41 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 1u99 n GLU 233 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1u99 n GLY 234 N -0.19 1.03 0.05 8.31 0.00 -1.26 -4.04 105.19 109.08 1u99 n GLY 234 Ca 0.49 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1u99 n GLY 234 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u99 n GLU 235 N 0.00 0.64 -4.03 1.61 -0.58 -1.26 -4.96 120.64 112.06 1u99 n GLU 235 Ca 0.00 -0.08 -0.28 0.00 -0.42 0.00 0.00 57.16 56.38 1u99 n GLU 235 Cb 0.00 -1.63 -0.05 0.00 -0.57 0.00 0.00 31.44 29.18 1u99 n GLU 235 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1u99 s ASN 236 N -4.85 5.75 -0.26 1.62 0.02 -1.26 -5.09 114.94 110.87 1u99 s ASN 236 Ca -0.05 0.00 -0.18 0.00 -1.02 0.00 0.00 52.86 51.61 1u99 s ASN 236 Cb 0.12 -1.59 -0.03 0.00 0.02 0.00 0.00 41.25 39.78 1u99 s ASN 236 CO 0.87 0.11 0.52 -0.69 0.02 0.00 0.00 177.10 177.93 1u99 s VAL 237 N -1.59 5.06 -0.59 1.60 1.01 -1.26 0.03 120.40 124.66 1u99 s VAL 237 Ca 0.31 0.89 0.05 0.00 0.00 0.00 0.00 61.98 63.23 1u99 s VAL 237 Cb -0.11 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1u99 s VAL 237 CO 0.24 0.08 0.64 1.33 0.00 0.00 0.00 175.10 177.39 1u99 n VAL 238 N 5.17 0.00 -3.87 2.92 0.24 0.15 -4.92 118.33 118.01 1u99 n VAL 238 Ca -0.04 -0.50 0.01 0.00 -2.04 0.00 0.00 64.34 61.77 1u99 n VAL 238 Cb 0.50 1.10 0.01 0.00 -1.47 0.00 0.00 33.84 33.97 1u99 n VAL 238 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u99 n GLY 239 N 0.29 0.55 3.30 7.63 0.00 -0.91 -0.48 105.19 115.56 1u99 n GLY 239 Ca 0.03 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1u99 n GLY 239 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u99 s SER 240 N -2.58 3.02 -0.45 1.61 0.01 0.78 -0.57 113.70 115.52 1u99 s SER 240 Ca 0.16 -0.47 -0.25 0.00 1.31 0.00 0.00 55.95 56.70 1u99 s SER 240 Cb -0.01 -0.45 0.03 0.00 0.21 0.00 0.00 66.02 65.80 1u99 s SER 240 CO 0.01 0.30 0.90 -0.70 0.41 0.00 0.00 173.24 174.16 1u99 s GLU 241 N -0.50 3.55 0.06 12.44 2.56 0.21 -1.32 118.70 135.70 1u99 s GLU 241 Ca 0.07 0.17 0.03 0.00 0.00 0.00 0.00 54.97 55.23 1u99 s GLU 241 Cb -0.11 -3.91 -0.04 0.00 2.00 0.00 0.00 34.13 32.07 1u99 s GLU 241 CO 0.00 -1.17 0.06 0.99 -0.56 0.00 0.00 175.26 174.58 1u99 s THR 242 N 3.64 4.42 -0.03 -1.70 2.01 0.78 -0.56 115.64 124.21 1u99 s THR 242 Ca 0.36 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1u99 s THR 242 Cb -0.11 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1u99 s THR 242 CO 0.25 0.18 -0.10 -0.60 -0.69 0.00 0.00 174.62 173.65 1u99 s ARG 243 N -2.22 1.09 -0.08 4.92 3.52 -0.97 -1.30 118.95 123.91 1u99 s ARG 243 Ca 0.27 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.52 1u99 s ARG 243 Cb -0.12 -1.00 0.02 0.00 -1.56 0.00 0.00 34.95 32.29 1u99 s ARG 243 CO 0.19 0.14 -0.10 0.08 -0.81 0.00 0.00 175.30 174.81 1u99 s VAL 244 N 0.14 1.01 -0.13 7.11 1.01 0.15 -2.17 120.40 127.53 1u99 s VAL 244 Ca -0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1u99 s VAL 244 Cb -0.09 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1u99 s VAL 244 CO 0.01 0.34 -0.08 -0.54 0.00 0.00 0.00 175.10 174.82 1u99 s LYS 245 N 1.06 3.44 -0.94 2.72 1.02 0.34 0.01 119.74 127.40 1u99 s LYS 245 Ca -0.07 -0.60 -0.20 0.00 0.02 0.00 0.00 55.97 55.12 1u99 s LYS 245 Cb -0.14 -2.75 0.11 0.00 -0.52 0.00 0.00 37.83 34.52 1u99 s LYS 245 CO -0.01 0.28 1.20 0.08 -0.92 0.00 0.00 175.35 175.98 1u99 s VAL 246 N 0.22 4.50 -0.65 3.17 1.01 -0.49 -1.24 120.40 126.92 1u99 s VAL 246 Ca -0.05 -1.30 0.25 0.00 0.00 0.00 0.00 61.98 60.87 1u99 s VAL 246 Cb -0.15 -4.85 0.27 0.00 0.00 0.00 0.00 36.38 31.66 1u99 s VAL 246 CO 0.04 -1.62 1.75 1.33 0.00 0.00 0.00 175.10 176.61 1u99 n VAL 247 N 5.87 0.67 -3.75 2.92 0.24 -0.79 -0.20 118.33 123.29 1u99 n VAL 247 Ca 0.25 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.34 62.35 1u99 n VAL 247 Cb 0.49 -0.81 -0.13 0.00 -1.47 0.00 0.00 33.84 31.92 1u99 n VAL 247 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1u99 s LYS 248 N -3.18 0.21 -0.26 7.34 2.20 -1.14 -4.69 119.74 120.22 1u99 s LYS 248 Ca 0.08 0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 56.13 1u99 s LYS 248 Cb 0.11 -0.06 0.15 0.00 -1.51 0.00 0.00 37.83 36.52 1u99 s LYS 248 CO 0.51 -0.13 0.42 1.21 -0.36 0.00 0.00 175.35 177.00 1u99 s ASN 249 N 0.94 -0.00 0.00 1.43 3.84 -1.25 -1.89 114.94 118.00 1u99 s ASN 249 Ca -0.07 0.19 0.21 0.00 0.21 0.00 0.00 52.86 53.40 1u99 s ASN 249 Cb -0.08 1.29 0.53 0.00 -0.55 0.00 0.00 41.25 42.43 1u99 s ASN 249 CO -0.06 -0.31 1.45 0.29 -2.79 0.00 0.00 177.10 175.68 1u99 n LYS 250 N 5.37 2.32 -0.03 0.43 4.76 0.67 -4.04 118.16 127.63 1u99 n LYS 250 Ca -0.02 -2.01 0.00 0.00 -2.87 0.00 0.00 58.31 53.41 1u99 n LYS 250 Cb 0.50 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 32.12 1u99 n LYS 250 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1u99 n ILE 251 N 1.18 0.41 -3.83 -0.18 -0.00 -1.26 -4.65 119.36 111.03 1u99 n ILE 251 Ca 0.19 -0.40 -0.08 0.00 -0.00 0.00 0.00 62.75 62.47 1u99 n ILE 251 Cb 0.51 -0.25 0.01 0.00 -0.00 0.00 0.00 39.64 39.91 1u99 n ILE 251 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1u99 s ALA 252 N -2.57 -0.99 0.25 -1.39 0.00 -1.26 -2.92 121.76 112.88 1u99 s ALA 252 Ca -0.05 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 1u99 s ALA 252 Cb 0.06 0.74 -0.14 0.00 0.00 0.00 0.00 23.12 23.78 1u99 s ALA 252 CO 0.50 -1.01 1.17 0.00 0.00 0.00 0.00 175.76 176.42 1u99 n ALA 253 N -0.51 0.05 -2.00 0.00 0.00 -1.26 -4.61 120.51 112.18 1u99 n ALA 253 Ca -0.06 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.58 1u99 n ALA 253 Cb 0.60 -2.10 0.07 0.00 0.00 0.00 0.00 19.45 18.02 1u99 n ALA 253 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1u99 s PRO 254 N -0.98 2.13 0.00 0.00 0.04 -1.26 -4.67 135.00 130.26 1u99 s PRO 254 Ca 0.65 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 60.47 1u99 s PRO 254 Cb -0.72 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1u99 s PRO 254 CO 0.56 -1.03 0.00 1.19 0.04 0.00 0.00 177.00 177.76 1u99 n PHE 255 N -2.47 0.00 -2.45 0.56 3.72 0.72 -5.01 117.46 112.52 1u99 n PHE 255 Ca 0.13 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.22 1u99 n PHE 255 Cb 0.61 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.12 1u99 n PHE 255 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1u99 s LYS 256 N -0.03 3.87 0.34 -1.08 1.02 -1.26 -4.78 119.74 117.81 1u99 s LYS 256 Ca 0.00 0.81 0.05 0.00 0.02 0.00 0.00 55.97 56.86 1u99 s LYS 256 Cb 0.00 -2.19 -0.07 0.00 -0.52 0.00 0.00 37.83 35.05 1u99 s LYS 256 CO 0.00 -0.25 0.01 1.14 -0.92 0.00 0.00 175.35 175.34 1u99 s GLN 257 N -4.15 1.71 -0.02 1.68 -2.07 -1.26 -1.40 119.66 114.16 1u99 s GLN 257 Ca 0.57 -1.94 -0.02 0.00 -1.82 0.00 0.00 55.36 52.15 1u99 s GLN 257 Cb -0.10 -1.16 0.00 0.00 -1.09 0.00 0.00 33.01 30.66 1u99 s GLN 257 CO 0.34 -0.09 0.05 0.00 -1.32 0.00 0.00 175.29 174.27 1u99 s ALA 258 N -3.06 -0.12 -0.05 2.60 0.00 0.10 -4.78 121.76 116.45 1u99 s ALA 258 Ca 0.34 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1u99 s ALA 258 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1u99 s ALA 258 CO 0.15 -0.03 -0.16 -1.21 0.00 0.00 0.00 175.76 174.51 1u99 s GLU 259 N -0.07 1.81 0.31 0.00 2.02 -1.26 0.33 118.70 121.83 1u99 s GLU 259 Ca -0.01 -0.57 -0.19 0.00 0.02 0.00 0.00 54.97 54.22 1u99 s GLU 259 Cb -0.01 -1.53 0.03 0.00 0.10 0.00 0.00 34.13 32.72 1u99 s GLU 259 CO 0.00 0.18 0.73 -0.59 0.02 0.00 0.00 175.26 175.60 1u99 s PHE 260 N 0.21 -0.08 -0.03 1.61 -0.12 -0.42 -4.90 117.98 114.25 1u99 s PHE 260 Ca -0.07 -0.43 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1u99 s PHE 260 Cb -0.13 0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 1u99 s PHE 260 CO 0.03 -1.32 -0.03 -0.65 -0.05 0.00 0.00 175.22 173.20 1u99 s GLN 261 N -3.49 2.75 -0.28 1.99 -0.21 -1.26 -0.15 119.66 119.00 1u99 s GLN 261 Ca 0.13 -0.59 -0.02 0.00 0.02 0.00 0.00 55.36 54.91 1u99 s GLN 261 Cb -0.06 -2.63 0.04 0.00 1.00 0.00 0.00 33.01 31.37 1u99 s GLN 261 CO 0.08 0.64 -0.02 0.42 -2.12 0.00 0.00 175.29 174.29 1u99 s ILE 262 N -0.96 2.93 -0.16 1.08 1.01 -0.44 -0.38 121.20 124.29 1u99 s ILE 262 Ca 0.16 -1.28 -0.19 0.00 0.00 0.00 0.00 60.65 59.33 1u99 s ILE 262 Cb -0.11 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1u99 s ILE 262 CO 0.06 -0.01 0.54 -0.76 0.00 0.00 0.00 174.94 174.76 1u99 s LEU 263 N 1.27 4.21 0.18 2.97 2.01 0.11 -0.16 118.68 129.28 1u99 s LEU 263 Ca -0.04 0.80 -0.33 0.00 0.01 0.00 0.00 54.13 54.58 1u99 s LEU 263 Cb -0.19 -2.77 -0.15 0.00 0.01 0.00 0.00 46.19 43.10 1u99 s LEU 263 CO -0.02 -0.12 1.31 -1.22 1.01 0.00 0.00 176.35 177.31 1u99 n TYR 264 N 4.31 1.72 -0.65 0.29 4.01 0.37 -0.58 117.16 126.62 1u99 n TYR 264 Ca -0.05 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 1u99 n TYR 264 Cb 0.51 -2.37 0.00 0.00 -0.31 0.00 0.00 39.34 37.16 1u99 n TYR 264 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u99 n GLY 265 N 2.27 0.89 0.00 2.72 0.00 -1.26 -4.72 105.19 105.09 1u99 n GLY 265 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1u99 n GLY 265 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u99 n GLU 266 N -2.00 2.55 0.00 1.61 1.02 0.25 -4.88 120.64 119.20 1u99 n GLU 266 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1u99 n GLU 266 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1u99 n GLU 266 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u99 n GLY 267 N 2.43 -0.06 3.69 0.62 0.00 -0.11 -4.69 105.19 107.07 1u99 n GLY 267 Ca 0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1u99 n GLY 267 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u99 s ILE 268 N 0.00 4.59 -0.80 -0.61 1.01 -1.26 0.07 121.20 124.21 1u99 s ILE 268 Ca 0.00 1.88 -0.22 0.00 0.00 0.00 0.00 60.65 62.31 1u99 s ILE 268 Cb 0.00 -4.21 -0.16 0.00 0.01 0.00 0.00 42.46 38.10 1u99 s ILE 268 CO 0.00 -0.00 1.92 -3.20 0.00 0.00 0.00 174.94 173.65 1u99 n ASN 269 N 5.10 2.54 0.20 3.58 2.85 0.49 -4.73 115.26 125.30 1u99 n ASN 269 Ca 0.10 -2.68 -0.10 0.00 -0.11 0.00 0.00 54.58 51.79 1u99 n ASN 269 Cb 0.48 -1.17 -0.05 0.00 1.24 0.00 0.00 39.78 40.28 1u99 n ASN 269 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1u99 h PHE 270 N 8.17 -0.74 -0.66 1.20 3.57 -1.86 -2.61 116.94 124.00 1u99 h PHE 270 Ca 0.39 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.08 1u99 h PHE 270 Cb 0.70 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1u99 h PHE 270 CO 1.23 -0.39 0.56 1.88 -2.23 0.00 0.00 178.31 179.36 1u99 h TYR 271 N -0.61 0.00 -0.59 0.41 0.05 -1.94 0.81 116.97 115.09 1u99 h TYR 271 Ca -0.05 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.65 1u99 h TYR 271 Cb 0.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1u99 h TYR 271 CO -0.08 0.00 0.05 0.78 -1.05 0.00 0.00 178.16 177.86 1u99 h GLY 272 N 0.00 1.10 0.80 3.88 0.00 -1.84 -1.74 103.07 105.27 1u99 h GLY 272 Ca 0.31 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1u99 h GLY 272 CO -0.00 0.72 0.02 0.83 0.00 0.00 0.00 176.54 178.10 1u99 h GLU 273 N 0.92 0.25 -0.94 4.80 5.08 0.92 -2.93 114.58 122.68 1u99 h GLU 273 Ca 0.17 -0.07 0.20 0.00 -1.00 0.00 0.00 59.36 58.66 1u99 h GLU 273 Cb 0.50 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 1u99 h GLU 273 CO 0.02 0.45 0.61 1.25 -1.00 0.00 0.00 179.01 180.34 1u99 h LEU 274 N 0.02 0.54 0.58 1.33 5.85 -0.85 0.18 115.31 122.97 1u99 h LEU 274 Ca 0.04 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1u99 h LEU 274 Cb 0.32 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.32 1u99 h LEU 274 CO 0.00 0.21 -0.28 0.58 -0.34 0.00 0.00 178.44 178.61 1u99 h VAL 275 N 0.53 0.00 -0.40 1.05 2.07 -1.17 0.92 116.25 119.25 1u99 h VAL 275 Ca 0.51 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.89 1u99 h VAL 275 Cb 1.07 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 1u99 h VAL 275 CO -0.24 0.00 -0.24 0.44 0.02 0.00 0.00 177.57 177.55 1u99 h ASP 276 N -1.00 -0.82 0.87 0.57 5.19 -1.20 -0.11 116.42 119.92 1u99 h ASP 276 Ca -0.08 0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1u99 h ASP 276 Cb 0.60 0.41 -0.00 0.00 0.18 0.00 0.00 39.33 40.52 1u99 h ASP 276 CO 0.13 -0.27 -0.10 0.25 -3.12 0.00 0.00 179.24 176.14 1u99 h LEU 277 N -0.18 0.00 -0.30 1.55 5.85 -0.74 -1.51 115.31 119.98 1u99 h LEU 277 Ca 0.19 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1u99 h LEU 277 Cb 0.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1u99 h LEU 277 CO -0.50 0.10 -0.28 1.23 -0.34 0.00 0.00 178.44 178.65 1u99 h GLY 278 N 1.83 0.00 0.88 3.75 0.00 0.97 -2.83 103.07 107.68 1u99 h GLY 278 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1u99 h GLY 278 CO 0.01 0.00 -1.79 -2.08 0.00 0.00 0.00 176.54 172.68 1u99 h VAL 279 N 0.00 0.81 -0.16 4.60 2.07 -0.64 0.39 116.25 123.32 1u99 h VAL 279 Ca -0.00 -2.58 -0.01 0.00 0.82 0.00 0.00 66.70 64.92 1u99 h VAL 279 Cb 1.11 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1u99 h VAL 279 CO 0.04 0.69 0.05 0.50 0.02 0.00 0.00 177.57 178.87 1u99 h LYS 280 N 0.04 0.25 -0.36 1.57 3.64 -1.33 -2.39 116.57 117.99 1u99 h LYS 280 Ca -0.33 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1u99 h LYS 280 Cb 2.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 1u99 h LYS 280 CO 0.09 0.37 0.00 0.39 -2.27 0.00 0.00 179.45 178.03 1u99 n GLU 281 N -4.83 1.23 -3.82 1.90 -0.58 -1.07 -4.90 120.64 108.58 1u99 n GLU 281 Ca -0.05 -0.27 -0.26 0.00 -0.42 0.00 0.00 57.16 56.16 1u99 n GLU 281 Cb 0.14 -1.23 0.01 0.00 -0.57 0.00 0.00 31.44 29.80 1u99 n GLU 281 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u99 n LYS 282 N -0.18 -3.18 -0.00 3.49 4.76 -0.90 -4.86 118.16 117.29 1u99 n LYS 282 Ca 0.02 0.48 0.04 0.00 -2.87 0.00 0.00 58.31 55.98 1u99 n LYS 282 Cb 0.15 -4.60 -0.06 0.00 -1.84 0.00 0.00 35.03 28.68 1u99 n LYS 282 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u99 n LEU 283 N -4.31 0.10 -4.08 -0.35 4.77 0.10 -4.93 117.00 108.30 1u99 n LEU 283 Ca -0.25 -0.12 -0.27 0.00 -0.03 0.00 0.00 56.01 55.34 1u99 n LEU 283 Cb 0.66 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.58 1u99 n LEU 283 CO 0.71 0.02 -0.49 -0.63 -1.33 0.00 0.00 177.39 175.67 1u99 s ILE 284 N -2.39 1.39 -0.01 -0.08 1.01 0.80 -4.64 121.20 117.28 1u99 s ILE 284 Ca -0.02 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 1u99 s ILE 284 Cb 0.06 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1u99 s ILE 284 CO 0.35 0.41 0.50 -1.61 0.00 0.00 0.00 174.94 174.60 1u99 s GLU 285 N 0.55 4.18 -0.22 2.79 8.01 0.10 -4.32 118.70 129.79 1u99 s GLU 285 Ca -0.15 0.57 -0.01 0.00 0.01 0.00 0.00 54.97 55.39 1u99 s GLU 285 Cb -0.16 -3.30 0.02 0.00 -4.31 0.00 0.00 34.13 26.38 1u99 s GLU 285 CO 0.05 0.48 -0.11 0.21 0.01 0.00 0.00 175.26 175.90 1u99 s LYS 286 N -0.47 2.92 -0.96 1.61 2.20 -1.26 0.03 119.74 123.81 1u99 s LYS 286 Ca 0.27 -0.91 -0.03 0.00 -0.36 0.00 0.00 55.97 54.94 1u99 s LYS 286 Cb -0.17 -2.84 0.25 0.00 -1.51 0.00 0.00 37.83 33.56 1u99 s LYS 286 CO 0.15 -0.32 0.97 0.00 -0.36 0.00 0.00 175.35 175.78 1u99 n ALA 287 N 4.65 4.14 -0.33 3.13 0.00 0.30 -4.91 120.51 127.49 1u99 n ALA 287 Ca -0.18 -4.66 0.00 0.00 0.00 0.00 0.00 53.44 48.60 1u99 n ALA 287 Cb 0.48 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1u99 n ALA 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u99 n GLY 288 N 2.09 1.67 0.00 0.00 0.00 -1.26 -1.97 105.19 105.72 1u99 n GLY 288 Ca 0.24 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1u99 n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u99 n ALA 289 N 1.68 2.24 -2.96 4.61 0.00 -1.26 -4.98 120.51 119.84 1u99 n ALA 289 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 53.44 52.43 1u99 n ALA 289 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1u99 n ALA 289 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1u99 s TRP 290 N -0.37 2.97 -0.14 0.00 0.52 -0.83 0.18 118.94 121.27 1u99 s TRP 290 Ca 0.00 -0.35 -0.04 0.00 0.02 0.00 0.00 56.10 55.73 1u99 s TRP 290 Cb 0.00 -1.92 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 1u99 s TRP 290 CO 0.00 -0.05 -0.01 0.71 0.02 0.00 0.00 176.95 177.62 1u99 s TYR 291 N 0.29 3.11 0.03 -1.98 1.51 0.12 0.11 117.35 120.54 1u99 s TYR 291 Ca -0.05 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 55.98 1u99 s TYR 291 Cb -0.14 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1u99 s TYR 291 CO 0.04 0.16 -0.12 -1.12 -1.11 0.00 0.00 175.55 173.40 1u99 s SER 292 N -0.04 1.42 -0.14 2.29 0.01 0.10 -0.83 113.70 116.51 1u99 s SER 292 Ca 0.03 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 1u99 s SER 292 Cb -0.13 -0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.06 1u99 s SER 292 CO 0.02 0.01 -0.02 -0.47 0.41 0.00 0.00 173.24 173.18 1u99 s TYR 293 N -0.82 1.25 -0.73 2.43 5.04 -0.41 0.03 117.35 124.13 1u99 s TYR 293 Ca 0.00 -0.73 -0.07 0.00 -2.44 0.00 0.00 57.07 53.83 1u99 s TYR 293 Cb -0.07 -1.10 0.01 0.00 0.35 0.00 0.00 41.96 41.14 1u99 s TYR 293 CO 0.01 -0.52 0.63 1.63 -1.34 0.00 0.00 175.55 175.96 1u99 n LYS 294 N 5.00 -1.60 0.00 4.97 5.02 -1.26 -3.15 118.16 127.13 1u99 n LYS 294 Ca -0.10 1.07 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 1u99 n LYS 294 Cb 0.49 -3.10 0.00 0.00 -0.02 0.00 0.00 35.03 32.40 1u99 n LYS 294 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u99 n GLY 295 N -1.38 1.92 3.92 0.72 0.00 -1.26 -5.00 105.19 104.10 1u99 n GLY 295 Ca -0.20 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 1u99 n GLY 295 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u99 s GLU 296 N 0.00 3.10 0.13 1.61 2.02 -1.19 -5.11 118.70 119.26 1u99 s GLU 296 Ca 0.00 -0.99 -0.11 0.00 0.02 0.00 0.00 54.97 53.89 1u99 s GLU 296 Cb 0.00 -2.71 -0.06 0.00 0.10 0.00 0.00 34.13 31.45 1u99 s GLU 296 CO 0.00 0.28 0.47 0.15 0.02 0.00 0.00 175.26 176.18 1u99 s LYS 297 N -3.99 3.83 -0.00 1.61 1.02 -1.26 -1.28 119.74 119.66 1u99 s LYS 297 Ca 0.37 0.28 0.05 0.00 0.02 0.00 0.00 55.97 56.69 1u99 s LYS 297 Cb -0.08 -2.90 -0.07 0.00 -0.52 0.00 0.00 37.83 34.26 1u99 s LYS 297 CO 0.28 0.48 0.13 0.44 -0.92 0.00 0.00 175.35 175.76 1u99 n ILE 298 N 0.63 0.00 0.00 2.17 -5.35 -0.01 -4.90 119.36 111.90 1u99 n ILE 298 Ca -0.05 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1u99 n ILE 298 Cb 0.52 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1u99 n ILE 298 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u99 n GLY 299 N 1.91 2.50 3.28 3.28 0.00 -1.20 -4.48 105.19 110.48 1u99 n GLY 299 Ca -0.00 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1u99 n GLY 299 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u99 s GLN 300 N -2.00 2.82 0.00 1.61 0.74 -1.26 -0.70 119.66 120.87 1u99 s GLN 300 Ca 0.00 -1.03 0.00 0.00 0.05 0.00 0.00 55.36 54.38 1u99 s GLN 300 Cb 0.00 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.79 1u99 s GLN 300 CO 0.00 -0.53 0.00 0.41 -0.55 0.00 0.00 175.29 174.62 1u99 n GLY 301 N 4.79 2.25 0.37 2.59 0.00 0.48 -4.10 105.19 111.57 1u99 n GLY 301 Ca -0.14 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.16 1u99 n GLY 301 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1u99 h LYS 302 N 0.00 1.13 -0.83 1.61 3.64 -1.94 -0.37 116.57 119.82 1u99 h LYS 302 Ca 0.00 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1u99 h LYS 302 Cb 0.00 -0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 31.48 1u99 h LYS 302 CO 0.00 0.75 0.45 0.00 -2.27 0.00 0.00 179.45 178.38 1u99 h ALA 303 N 1.46 1.21 0.24 5.00 0.00 -1.99 -1.29 119.26 123.89 1u99 h ALA 303 Ca 0.43 0.06 -0.33 0.00 0.00 0.00 0.00 54.91 55.07 1u99 h ALA 303 Cb 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.93 1u99 h ALA 303 CO -0.18 0.01 -1.47 -0.91 0.00 0.00 0.00 179.25 176.71 1u99 h ASN 304 N 0.71 0.79 -0.31 0.00 2.35 -1.40 -2.73 115.58 114.99 1u99 h ASN 304 Ca 0.42 -0.86 0.04 0.00 -0.55 0.00 0.00 56.30 55.35 1u99 h ASN 304 Cb 0.49 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1u99 h ASN 304 CO -0.30 1.67 0.10 0.00 -1.65 0.00 0.00 177.43 177.25 1u99 h ALA 305 N 0.21 0.35 -0.14 -0.83 0.00 -0.88 0.84 119.26 118.81 1u99 h ALA 305 Ca -0.25 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1u99 h ALA 305 Cb 2.15 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.95 1u99 h ALA 305 CO 0.27 -0.31 0.01 1.15 0.00 0.00 0.00 179.25 180.37 1u99 h THR 306 N 0.23 0.92 -0.83 0.00 2.02 -1.33 -1.07 112.91 112.85 1u99 h THR 306 Ca 0.14 -0.02 0.15 0.00 0.77 0.00 0.00 66.41 67.45 1u99 h THR 306 Cb 0.12 0.85 -0.10 0.00 -1.74 0.00 0.00 68.15 67.29 1u99 h THR 306 CO -0.16 0.01 0.39 0.00 0.37 0.00 0.00 175.52 176.14 1u99 h ALA 307 N 1.11 1.23 0.59 6.16 0.00 -1.05 -0.34 119.26 126.96 1u99 h ALA 307 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1u99 h ALA 307 Cb 0.07 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1u99 h ALA 307 CO -0.10 -0.15 -0.29 2.35 0.00 0.00 0.00 179.25 181.07 1u99 h TRP 308 N 0.55 -0.74 -0.87 0.00 7.01 -0.02 -2.00 115.95 119.89 1u99 h TRP 308 Ca 0.46 -0.02 0.21 0.00 2.11 0.00 0.00 58.89 61.65 1u99 h TRP 308 Cb 0.68 0.24 -0.13 0.00 -2.10 0.00 0.00 29.16 27.86 1u99 h TRP 308 CO -0.12 -0.46 0.34 -0.07 -2.79 0.00 0.00 178.44 175.34 1u99 h LEU 309 N -0.92 0.23 -1.74 0.65 3.38 -0.88 1.90 115.31 117.93 1u99 h LEU 309 Ca -0.08 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1u99 h LEU 309 Cb 0.61 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1u99 h LEU 309 CO 0.13 -0.03 0.00 0.50 0.09 0.00 0.00 178.44 179.13 1u99 h LYS 310 N 0.35 0.00 0.00 1.13 3.64 -1.05 -1.68 116.57 118.96 1u99 h LYS 310 Ca 0.54 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1u99 h LYS 310 Cb 1.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1u99 h LYS 310 CO -0.55 0.00 -0.71 -3.47 -2.27 0.00 0.00 179.45 172.45 1u99 n ASP 311 N -2.93 0.62 -3.24 4.20 2.03 0.62 -4.51 116.55 113.35 1u99 n ASP 311 Ca -0.00 -0.33 -0.24 0.00 0.52 0.00 0.00 54.79 54.74 1u99 n ASP 311 Cb 0.22 0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 41.04 1u99 n ASP 311 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1u99 n ASN 312 N -1.66 1.93 -0.21 1.67 3.02 -0.00 -5.02 115.26 114.98 1u99 n ASN 312 Ca 0.04 -3.10 -0.06 0.00 -0.03 0.00 0.00 54.58 51.44 1u99 n ASN 312 Cb 0.37 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 38.85 1u99 n ASN 312 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1u99 n PRO 313 N 0.88 -0.22 0.31 3.52 -0.02 -1.24 -1.11 135.00 137.12 1u99 n PRO 313 Ca 0.26 1.01 0.18 0.00 -2.02 0.00 0.00 63.50 62.92 1u99 n PRO 313 Cb 0.49 -1.49 1.01 0.00 -0.02 0.00 0.00 33.50 33.50 1u99 n PRO 313 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1u99 h GLU 314 N 0.00 0.00 0.04 -0.52 4.39 -1.95 -1.62 114.58 114.93 1u99 h GLU 314 Ca 0.08 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 1u99 h GLU 314 Cb 0.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1u99 h GLU 314 CO -0.47 0.01 -0.42 1.15 -1.16 0.00 0.00 179.01 178.12 1u99 h THR 315 N 0.00 1.57 -0.65 1.13 2.02 -1.49 -3.20 112.91 112.30 1u99 h THR 315 Ca -0.00 -2.23 -0.01 0.00 0.77 0.00 0.00 66.41 64.93 1u99 h THR 315 Cb 0.04 3.01 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 1u99 h THR 315 CO 0.00 0.62 0.35 0.00 0.37 0.00 0.00 175.52 176.86 1u99 h ALA 316 N 0.16 0.84 -0.49 6.16 0.00 -1.11 -1.17 119.26 123.65 1u99 h ALA 316 Ca -0.06 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.88 1u99 h ALA 316 Cb 1.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1u99 h ALA 316 CO 0.08 0.36 0.35 0.87 0.00 0.00 0.00 179.25 180.91 1u99 h LYS 317 N 0.89 0.00 0.01 0.00 1.57 -1.40 0.61 116.57 118.26 1u99 h LYS 317 Ca 0.23 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1u99 h LYS 317 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1u99 h LYS 317 CO -0.04 0.00 -0.12 1.49 -0.57 0.00 0.00 179.45 180.22 1u99 h GLU 318 N 0.00 0.06 -0.73 3.15 4.81 -1.25 -2.40 114.58 118.22 1u99 h GLU 318 Ca 0.23 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1u99 h GLU 318 Cb 0.93 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1u99 h GLU 318 CO -0.00 0.95 0.43 0.82 -0.73 0.00 0.00 179.01 180.47 1u99 h ILE 319 N -0.79 1.21 -0.63 2.32 2.04 -0.14 -1.63 117.51 119.89 1u99 h ILE 319 Ca -0.02 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1u99 h ILE 319 Cb 1.00 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1u99 h ILE 319 CO 0.02 0.22 0.34 -0.08 0.00 0.00 0.00 178.15 178.65 1u99 h GLU 320 N 1.00 0.89 -0.66 2.37 4.81 0.08 -0.60 114.58 122.47 1u99 h GLU 320 Ca 0.26 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1u99 h GLU 320 Cb -0.02 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1u99 h GLU 320 CO -0.05 0.68 0.32 -0.22 -0.73 0.00 0.00 179.01 179.01 1u99 h LYS 321 N 0.86 0.94 -0.11 1.92 3.64 -0.92 0.14 116.57 123.04 1u99 h LYS 321 Ca 0.22 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1u99 h LYS 321 Cb 0.06 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1u99 h LYS 321 CO -0.03 0.73 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.51 1u99 h LYS 322 N 0.94 0.30 -0.69 1.90 3.11 -0.91 -1.07 116.57 120.14 1u99 h LYS 322 Ca 0.23 -0.17 0.10 0.00 -2.81 0.00 0.00 60.65 58.00 1u99 h LYS 322 Cb 0.10 0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 31.27 1u99 h LYS 322 CO -0.03 0.73 0.32 0.28 -2.81 0.00 0.00 179.45 177.94 1u99 h VAL 323 N -0.12 0.81 0.10 2.00 2.07 -0.64 0.83 116.25 121.30 1u99 h VAL 323 Ca 0.01 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1u99 h VAL 323 Cb 0.69 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1u99 h VAL 323 CO 0.03 0.10 -0.05 0.03 0.02 0.00 0.00 177.57 177.71 1u99 h ARG 324 N 0.54 -0.13 -0.93 1.57 3.08 -0.65 0.81 114.38 118.67 1u99 h ARG 324 Ca 0.35 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.54 1u99 h ARG 324 Cb 0.40 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.40 1u99 h ARG 324 CO -0.29 0.11 0.60 0.93 -1.07 0.00 0.00 179.97 180.24 1u99 h GLU 325 N -0.35 0.79 -0.04 0.04 5.08 -0.66 0.46 114.58 119.91 1u99 h GLU 325 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1u99 h GLU 325 Cb 0.29 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1u99 h GLU 325 CO 0.02 0.52 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.42 1u99 h LEU 326 N 0.81 0.12 0.00 1.33 3.38 -0.59 -3.37 115.31 117.00 1u99 h LEU 326 Ca 0.47 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1u99 h LEU 326 Cb 0.62 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1u99 h LEU 326 CO -0.23 0.66 -1.16 0.18 0.09 0.00 0.00 178.44 177.98 1u99 n LEU 327 N -4.72 0.60 -0.33 1.67 4.77 0.26 -5.10 117.00 114.15 1u99 n LEU 327 Ca -0.08 0.13 0.15 0.00 -0.03 0.00 0.00 56.01 56.17 1u99 n LEU 327 Cb 0.33 -0.07 0.66 0.00 -2.33 0.00 0.00 43.42 42.00 1u99 n LEU 327 CO 0.36 -0.06 0.94 0.18 -1.33 0.00 0.00 177.39 177.48