#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mla s PHE 4 N 0.00 1.80 0.19 1.08 -0.12 -1.26 -1.10 117.98 118.56 1mla s PHE 4 Ca 0.00 -0.53 0.08 0.00 -0.05 0.00 0.00 56.93 56.42 1mla s PHE 4 Cb 0.00 -0.82 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 1mla s PHE 4 CO 0.00 0.41 -0.15 0.00 -0.05 0.00 0.00 175.22 175.43 1mla s ALA 5 N -2.89 1.96 -0.18 1.99 0.00 -0.65 -0.36 121.76 121.63 1mla s ALA 5 Ca 0.23 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.56 1mla s ALA 5 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1mla s ALA 5 CO 0.08 0.11 0.02 -0.06 0.00 0.00 0.00 175.76 175.91 1mla s PHE 6 N -2.66 3.13 0.04 0.00 0.40 -0.87 -1.35 117.98 116.66 1mla s PHE 6 Ca 0.19 -0.16 0.09 0.00 -0.60 0.00 0.00 56.93 56.45 1mla s PHE 6 Cb -0.02 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 1mla s PHE 6 CO 0.06 0.00 -0.24 0.14 0.70 0.00 0.00 175.22 175.88 1mla s VAL 7 N 0.53 2.30 -0.13 -0.44 -7.23 0.09 -2.12 120.40 113.40 1mla s VAL 7 Ca 0.00 -1.31 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1mla s VAL 7 Cb -0.14 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 34.91 1mla s VAL 7 CO 0.02 0.38 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.62 1mla s PHE 8 N -0.81 2.57 0.72 2.82 0.40 -0.60 -0.88 117.98 122.19 1mla s PHE 8 Ca 0.12 -1.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.08 1mla s PHE 8 Cb -0.10 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.70 1mla s PHE 8 CO 0.02 -0.57 1.07 -1.25 0.70 0.00 0.00 175.22 175.19 1mla s PRO 9 N 0.78 2.75 0.00 0.24 0.04 -1.26 -1.19 135.00 136.36 1mla s PRO 9 Ca -0.08 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1mla s PRO 9 Cb -0.16 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1mla s PRO 9 CO -0.01 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.23 1mla n GLY 10 N -2.00 5.43 3.65 0.56 0.00 -1.21 -3.57 105.19 108.05 1mla n GLY 10 Ca 0.07 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1mla n GLY 10 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mla n GLN 11 N -0.05 1.70 0.00 1.61 6.02 -1.26 -2.17 117.38 123.22 1mla n GLN 11 Ca 0.00 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1mla n GLN 11 Cb 0.00 -2.15 0.00 0.00 1.02 0.00 0.00 30.24 29.11 1mla n GLN 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mla n GLY 12 N 1.00 2.38 0.11 1.08 0.00 -1.26 -4.92 105.19 103.57 1mla n GLY 12 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1mla n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mla n SER 13 N 0.00 0.57 -4.80 1.61 7.64 -0.92 -4.92 113.62 112.80 1mla n SER 13 Ca 0.00 -0.45 -0.35 0.00 1.01 0.00 0.00 58.87 59.08 1mla n SER 13 Cb 0.00 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1mla n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mla s GLN 14 N -2.68 4.27 -0.03 1.43 0.00 -1.26 -4.30 119.66 117.09 1mla s GLN 14 Ca 0.21 1.30 -0.08 0.00 -0.00 0.00 0.00 55.36 56.80 1mla s GLN 14 Cb 0.19 -2.44 0.01 0.00 0.00 0.00 0.00 33.01 30.77 1mla s GLN 14 CO 0.55 -0.01 0.17 0.95 0.00 0.00 0.00 175.29 176.95 1mla s THR 15 N -1.86 0.05 0.28 3.63 -4.23 -1.26 -5.09 115.64 107.14 1mla s THR 15 Ca 0.58 -0.40 -0.30 0.00 -1.18 0.00 0.00 61.69 60.39 1mla s THR 15 Cb -0.16 -0.38 -0.11 0.00 1.34 0.00 0.00 72.50 73.19 1mla s THR 15 CO 0.20 -0.22 1.56 -0.69 -0.54 0.00 0.00 174.62 174.93 1mla s VAL 16 N -0.79 2.23 0.00 2.29 1.01 -1.26 -2.13 120.40 121.75 1mla s VAL 16 Ca -0.09 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1mla s VAL 16 Cb -0.05 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1mla s VAL 16 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1mla n GLY 17 N 2.27 0.68 3.75 4.51 0.00 0.65 -4.99 105.19 112.07 1mla n GLY 17 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1mla n GLY 17 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1mla n MET 18 N -2.00 2.30 -1.16 1.61 3.85 -0.91 -2.58 117.12 118.24 1mla n MET 18 Ca 0.00 0.81 -0.06 0.00 -1.00 0.00 0.00 57.70 57.46 1mla n MET 18 Cb 0.00 -2.59 -0.02 0.00 -1.05 0.00 0.00 33.22 29.56 1mla n MET 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1mla n LEU 19 N 0.07 0.07 -0.29 3.17 4.77 -1.26 -4.87 117.00 118.66 1mla n LEU 19 Ca 0.04 0.14 0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1mla n LEU 19 Cb 0.40 -2.07 0.16 0.00 -2.33 0.00 0.00 43.42 39.58 1mla n LEU 19 CO 0.61 -0.76 1.14 0.00 -1.33 0.00 0.00 177.39 177.04 1mla h ALA 20 N 0.00 1.14 -0.26 -1.18 0.00 -1.88 -0.24 119.26 116.84 1mla h ALA 20 Ca -0.11 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1mla h ALA 20 Cb 0.83 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1mla h ALA 20 CO 0.17 0.10 -0.57 -0.44 0.00 0.00 0.00 179.25 178.51 1mla h ASP 21 N 0.78 0.95 -0.71 0.00 3.32 -1.91 -2.44 116.42 116.42 1mla h ASP 21 Ca 0.38 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 56.91 1mla h ASP 21 Cb 0.34 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1mla h ASP 21 CO -0.24 1.33 0.45 0.24 -1.72 0.00 0.00 179.24 179.30 1mla h MET 22 N 0.62 0.88 -0.30 3.56 2.86 -1.72 -2.54 114.93 118.30 1mla h MET 22 Ca 0.00 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1mla h MET 22 Cb 1.18 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 1mla h MET 22 CO 0.13 0.58 0.04 0.00 1.06 0.00 0.00 176.91 178.72 1mla h ALA 23 N 1.28 1.53 -0.08 6.32 0.00 -0.90 -0.40 119.26 127.01 1mla h ALA 23 Ca 0.27 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1mla h ALA 23 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1mla h ALA 23 CO -0.09 0.35 -0.40 0.00 0.00 0.00 0.00 179.25 179.12 1mla h ALA 24 N 1.63 1.20 0.00 0.00 0.00 -1.02 -3.20 119.26 117.86 1mla h ALA 24 Ca 0.10 -0.39 -0.27 0.00 0.00 0.00 0.00 54.91 54.35 1mla h ALA 24 Cb 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1mla h ALA 24 CO 0.00 0.55 -1.55 0.77 0.00 0.00 0.00 179.25 179.02 1mla h SER 25 N 0.14 0.00 -3.66 0.00 0.02 -1.03 -3.45 113.55 105.57 1mla h SER 25 Ca 0.01 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.34 1mla h SER 25 Cb 0.76 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.92 1mla h SER 25 CO 0.06 0.97 -0.78 -0.31 -1.14 0.00 0.00 176.83 175.63 1mla s TYR 26 N -2.64 2.67 0.58 3.45 2.02 -0.26 -5.00 117.35 118.17 1mla s TYR 26 Ca -0.03 -2.00 0.28 0.00 -0.37 0.00 0.00 57.07 54.95 1mla s TYR 26 Cb 0.08 -1.80 1.70 0.00 -0.40 0.00 0.00 41.96 41.54 1mla s TYR 26 CO 0.82 -0.82 2.17 -1.35 -1.57 0.00 0.00 175.55 174.81 1mla h PRO 27 N 7.89 0.00 0.00 -1.71 0.11 -1.87 -2.50 132.00 133.93 1mla h PRO 27 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1mla h PRO 27 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1mla h PRO 27 CO 0.44 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.20 1mla h ILE 28 N 0.00 0.00 0.48 4.15 2.10 -1.94 -2.53 117.51 119.77 1mla h ILE 28 Ca 0.04 -0.31 -0.02 0.00 1.08 0.00 0.00 64.86 65.65 1mla h ILE 28 Cb 0.24 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 1mla h ILE 28 CO -0.00 0.00 -0.23 0.58 -1.08 0.00 0.00 178.15 177.42 1mla h VAL 29 N 0.00 0.47 0.00 2.19 2.07 -1.74 -0.68 116.25 118.56 1mla h VAL 29 Ca 0.00 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1mla h VAL 29 Cb 0.32 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1mla h VAL 29 CO 0.00 0.05 -0.26 -0.33 0.02 0.00 0.00 177.57 177.05 1mla h GLU 30 N -0.85 0.00 -0.65 1.57 5.08 -1.73 -1.63 114.58 116.36 1mla h GLU 30 Ca -0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1mla h GLU 30 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1mla h GLU 30 CO 0.11 0.26 0.17 0.93 -1.00 0.00 0.00 179.01 179.48 1mla h GLU 31 N 0.00 1.03 -0.45 2.33 5.08 -1.27 -0.03 114.58 121.26 1mla h GLU 31 Ca -0.00 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1mla h GLU 31 Cb 0.54 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1mla h GLU 31 CO 0.03 0.92 0.05 1.15 -1.00 0.00 0.00 179.01 180.16 1mla h THR 32 N 0.95 1.25 -0.13 1.13 2.02 -0.29 -2.31 112.91 115.53 1mla h THR 32 Ca 0.21 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 1mla h THR 32 Cb 0.34 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1mla h THR 32 CO -0.00 0.33 -0.12 -0.26 0.37 0.00 0.00 175.52 175.84 1mla h PHE 33 N 0.62 0.21 -0.35 3.16 -1.00 -1.00 -2.15 116.94 116.42 1mla h PHE 33 Ca 0.13 -0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.80 1mla h PHE 33 Cb 0.42 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1mla h PHE 33 CO 0.03 0.33 -0.17 0.00 -1.61 0.00 0.00 178.31 176.89 1mla h ALA 34 N 1.68 1.06 -0.37 2.45 0.00 -0.58 0.64 119.26 124.14 1mla h ALA 34 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1mla h ALA 34 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mla h ALA 34 CO 0.02 0.57 0.04 1.49 0.00 0.00 0.00 179.25 181.37 1mla h GLU 35 N 0.57 0.63 -0.59 0.00 4.81 -0.90 -1.10 114.58 118.00 1mla h GLU 35 Ca 0.09 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1mla h GLU 35 Cb 0.61 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1mla h GLU 35 CO 0.04 0.70 0.04 0.00 -0.73 0.00 0.00 179.01 179.06 1mla h ALA 36 N 0.90 0.94 -0.67 2.92 0.00 -1.06 -2.70 119.26 119.59 1mla h ALA 36 Ca 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1mla h ALA 36 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1mla h ALA 36 CO 0.01 0.64 0.27 0.77 0.00 0.00 0.00 179.25 180.94 1mla h SER 37 N 0.93 0.91 -0.06 0.00 0.02 -0.60 -0.86 113.55 113.89 1mla h SER 37 Ca 0.18 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1mla h SER 37 Cb 0.49 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1mla h SER 37 CO 0.02 0.81 -0.15 0.00 -1.14 0.00 0.00 176.83 176.37 1mla h ALA 38 N 1.32 1.31 0.00 3.77 0.00 -1.04 0.15 119.26 124.77 1mla h ALA 38 Ca 0.23 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1mla h ALA 38 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1mla h ALA 38 CO -0.02 0.46 -0.86 0.00 0.00 0.00 0.00 179.25 178.84 1mla h ALA 39 N 1.48 0.58 0.00 0.00 0.00 -0.99 -3.36 119.26 116.97 1mla h ALA 39 Ca 0.07 -0.76 -0.17 0.00 0.00 0.00 0.00 54.91 54.06 1mla h ALA 39 Cb 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1mla h ALA 39 CO 0.03 1.01 -1.76 1.28 0.00 0.00 0.00 179.25 179.81 1mla n LEU 40 N -3.57 0.45 0.00 0.00 4.77 -0.42 -4.94 117.00 113.29 1mla n LEU 40 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1mla n LEU 40 Cb 0.81 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1mla n LEU 40 CO 0.46 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1mla n GLY 41 N 1.44 0.67 3.34 -0.72 0.00 0.49 -5.04 105.19 105.36 1mla n GLY 41 Ca -0.13 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1mla n GLY 41 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mla s TYR 42 N -2.00 0.16 -0.70 1.61 -0.85 -1.21 -5.07 117.35 109.30 1mla s TYR 42 Ca 0.00 -0.53 -0.26 0.00 -0.52 0.00 0.00 57.07 55.76 1mla s TYR 42 Cb 0.00 0.07 0.04 0.00 0.38 0.00 0.00 41.96 42.45 1mla s TYR 42 CO 0.00 -0.72 1.17 0.34 -1.52 0.00 0.00 175.55 174.83 1mla s ASP 43 N -2.90 6.20 0.24 -0.18 -1.08 -1.26 -4.40 116.67 113.29 1mla s ASP 43 Ca 0.11 -0.54 0.03 0.00 -0.52 0.00 0.00 52.55 51.64 1mla s ASP 43 Cb 0.03 -2.52 0.27 0.00 -1.46 0.00 0.00 42.92 39.24 1mla s ASP 43 CO -0.05 -1.67 1.58 0.25 0.52 0.00 0.00 175.17 175.80 1mla h LEU 44 N 12.40 0.34 -0.37 -1.34 5.85 -1.91 -2.13 115.31 128.15 1mla h LEU 44 Ca -0.28 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1mla h LEU 44 Cb 1.06 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1mla h LEU 44 CO 1.24 0.82 0.10 -0.25 -0.34 0.00 0.00 178.44 180.01 1mla h TRP 45 N 0.23 0.60 -0.71 1.25 2.91 -1.89 -1.66 115.95 116.69 1mla h TRP 45 Ca 0.00 -0.07 -0.02 0.00 1.13 0.00 0.00 58.89 59.93 1mla h TRP 45 Cb 1.04 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.49 1mla h TRP 45 CO 0.02 0.58 0.35 0.00 -1.03 0.00 0.00 178.44 178.37 1mla h ALA 46 N 0.95 0.91 -0.62 2.65 0.00 -1.93 -0.96 119.26 120.26 1mla h ALA 46 Ca 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mla h ALA 46 Cb 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1mla h ALA 46 CO -0.00 0.46 0.41 1.25 0.00 0.00 0.00 179.25 181.37 1mla h LEU 47 N 0.99 0.70 -1.18 0.00 5.85 -1.19 0.85 115.31 121.32 1mla h LEU 47 Ca 0.25 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1mla h LEU 47 Cb 0.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1mla h LEU 47 CO -0.03 0.50 -0.40 0.71 -0.34 0.00 0.00 178.44 178.88 1mla h THR 48 N 0.83 1.22 0.00 1.05 1.35 -0.59 -0.68 112.91 116.09 1mla h THR 48 Ca 0.23 -1.41 -0.28 0.00 -0.55 0.00 0.00 66.41 64.40 1mla h THR 48 Cb -0.07 1.77 -0.05 0.00 -1.73 0.00 0.00 68.15 68.07 1mla h THR 48 CO -0.06 0.39 -1.64 1.56 -0.25 0.00 0.00 175.52 175.52 1mla h GLN 49 N 0.00 0.00 0.00 4.72 1.08 -0.66 0.19 115.11 120.44 1mla h GLN 49 Ca -0.00 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1mla h GLN 49 Cb 0.74 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 1mla h GLN 49 CO 0.05 0.54 -1.48 1.04 -0.95 0.00 0.00 178.83 178.03 1mla n GLN 50 N -3.07 1.26 0.00 1.46 1.13 0.24 -4.03 117.38 114.37 1mla n GLN 50 Ca -0.15 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 1mla n GLN 50 Cb 1.04 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 30.18 1mla n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mla n GLY 51 N 2.20 2.61 3.53 1.08 0.00 -0.26 -4.71 105.19 109.64 1mla n GLY 51 Ca -0.07 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1mla n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mla s PRO 52 N 0.00 -0.78 0.46 1.61 0.04 -1.26 -4.78 135.00 130.28 1mla s PRO 52 Ca 0.00 0.60 0.17 0.00 0.04 0.00 0.00 61.00 61.80 1mla s PRO 52 Cb 0.00 -1.59 1.08 0.00 0.04 0.00 0.00 34.50 34.04 1mla s PRO 52 CO 0.00 -3.57 2.01 0.00 0.04 0.00 0.00 177.00 175.48 1mla h ALA 53 N -2.50 1.62 0.00 8.56 0.00 -1.95 -0.30 119.26 124.68 1mla h ALA 53 Ca -0.58 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.10 1mla h ALA 53 Cb 1.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1mla h ALA 53 CO 0.51 0.22 -0.32 1.49 0.00 0.00 0.00 179.25 181.15 1mla h GLU 54 N 0.00 0.00 -0.19 0.00 4.57 -1.97 -1.15 114.58 115.84 1mla h GLU 54 Ca -0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1mla h GLU 54 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1mla h GLU 54 CO 0.02 0.32 -0.33 0.93 -1.18 0.00 0.00 179.01 178.77 1mla h GLU 55 N 0.00 0.55 0.00 1.92 4.39 -1.41 -2.99 114.58 117.04 1mla h GLU 55 Ca -0.00 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.32 1mla h GLU 55 Cb 0.90 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1mla h GLU 55 CO 0.04 0.95 -0.16 1.25 -1.16 0.00 0.00 179.01 179.94 1mla h LEU 56 N 0.21 0.00 -0.29 1.33 5.85 -1.06 -2.60 115.31 118.74 1mla h LEU 56 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1mla h LEU 56 Cb 0.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1mla h LEU 56 CO 0.07 0.16 -0.17 0.59 -0.34 0.00 0.00 178.44 178.75 1mla n ASN 57 N -3.95 0.62 -4.67 1.25 3.02 -0.46 -3.21 115.26 107.85 1mla n ASN 57 Ca -0.02 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.50 1mla n ASN 57 Cb 0.24 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 1mla n ASN 57 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1mla s LYS 58 N -2.53 4.19 0.48 3.52 1.02 -0.98 -4.79 119.74 120.64 1mla s LYS 58 Ca 0.26 2.28 0.13 0.00 0.02 0.00 0.00 55.97 58.66 1mla s LYS 58 Cb 0.20 -3.82 1.12 0.00 -0.52 0.00 0.00 37.83 34.81 1mla s LYS 58 CO 0.50 -0.79 2.10 0.00 -0.92 0.00 0.00 175.35 176.24 1mla h THR 59 N 5.23 1.05 0.00 2.17 1.03 -1.90 0.13 112.91 120.62 1mla h THR 59 Ca -0.42 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.83 1mla h THR 59 Cb 1.19 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 69.21 1mla h THR 59 CO 0.94 0.06 0.00 -2.67 -0.01 0.00 0.00 175.52 173.84 1mla n TRP 60 N -4.49 0.00 -0.11 0.00 2.14 -1.26 -1.76 117.44 111.97 1mla n TRP 60 Ca -0.01 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.41 1mla n TRP 60 Cb 0.11 -0.46 -0.10 0.00 -0.81 0.00 0.00 31.31 30.05 1mla n TRP 60 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1mla n GLN 61 N -1.46 0.55 -0.16 -2.67 6.02 0.27 -4.47 117.38 115.46 1mla n GLN 61 Ca 0.06 0.12 -0.04 0.00 -0.01 0.00 0.00 57.00 57.12 1mla n GLN 61 Cb 0.22 -1.42 0.05 0.00 1.02 0.00 0.00 30.24 30.10 1mla n GLN 61 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1mla h THR 62 N 0.00 0.91 -0.11 5.09 2.02 -0.84 -2.52 112.91 117.46 1mla h THR 62 Ca -0.47 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1mla h THR 62 Cb 1.74 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1mla h THR 62 CO -0.07 0.08 0.01 1.56 0.37 0.00 0.00 175.52 177.47 1mla h GLN 63 N 0.43 0.19 -0.96 6.66 4.20 -1.60 -0.37 115.11 123.66 1mla h GLN 63 Ca 0.22 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.95 1mla h GLN 63 Cb 0.17 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.86 1mla h GLN 63 CO -0.18 0.40 0.62 -1.35 -0.67 0.00 0.00 178.83 177.65 1mla h PRO 64 N -0.05 1.03 -0.44 1.46 0.11 -1.78 -1.55 132.00 130.79 1mla h PRO 64 Ca 0.03 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 1mla h PRO 64 Cb 0.31 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1mla h PRO 64 CO 0.00 0.68 0.12 0.00 -0.21 0.00 0.00 178.00 178.60 1mla h ALA 65 N 1.50 0.57 -0.23 -0.75 0.00 -1.03 -0.85 119.26 118.47 1mla h ALA 65 Ca 0.43 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 1mla h ALA 65 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1mla h ALA 65 CO -0.18 0.24 -0.65 -0.07 0.00 0.00 0.00 179.25 178.59 1mla h LEU 66 N 0.57 0.95 -0.25 0.00 3.38 -0.82 -1.23 115.31 117.90 1mla h LEU 66 Ca 0.14 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1mla h LEU 66 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1mla h LEU 66 CO -0.00 1.36 0.17 0.25 0.09 0.00 0.00 178.44 180.30 1mla h LEU 67 N 0.61 0.29 -0.67 1.67 5.85 -1.20 -1.23 115.31 120.63 1mla h LEU 67 Ca -0.01 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1mla h LEU 67 Cb 1.26 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1mla h LEU 67 CO 0.14 0.21 -0.11 0.74 -0.34 0.00 0.00 178.44 179.08 1mla h THR 68 N 0.34 1.26 -0.49 1.05 2.02 -1.10 -0.68 112.91 115.32 1mla h THR 68 Ca 0.09 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 1mla h THR 68 Cb -0.04 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1mla h THR 68 CO -0.02 0.43 0.28 0.00 0.37 0.00 0.00 175.52 176.58 1mla h ALA 69 N 1.05 0.62 -0.34 6.16 0.00 -0.96 -0.33 119.26 125.46 1mla h ALA 69 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1mla h ALA 69 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1mla h ALA 69 CO 0.04 0.12 0.03 0.77 0.00 0.00 0.00 179.25 180.22 1mla h SER 70 N 0.65 0.57 -0.20 0.00 0.02 -0.93 -2.58 113.55 111.08 1mla h SER 70 Ca 0.17 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1mla h SER 70 Cb 0.01 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1mla h SER 70 CO -0.03 0.71 -0.09 0.58 -1.14 0.00 0.00 176.83 176.86 1mla h VAL 71 N 0.41 1.23 -0.57 2.27 2.07 -0.95 -1.44 116.25 119.26 1mla h VAL 71 Ca 0.10 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1mla h VAL 71 Cb 0.40 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1mla h VAL 71 CO 0.01 0.33 0.36 0.00 0.02 0.00 0.00 177.57 178.29 1mla h ALA 72 N 1.39 0.73 -0.53 1.67 0.00 -0.94 -0.50 119.26 121.07 1mla h ALA 72 Ca 0.10 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1mla h ALA 72 Cb 0.47 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1mla h ALA 72 CO 0.03 0.20 -0.06 -0.07 0.00 0.00 0.00 179.25 179.34 1mla h LEU 73 N 0.77 0.95 -0.62 0.00 3.38 -1.05 -1.73 115.31 117.02 1mla h LEU 73 Ca 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1mla h LEU 73 Cb -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1mla h LEU 73 CO -0.04 1.04 0.36 0.22 0.09 0.00 0.00 178.44 180.11 1mla h TYR 74 N 0.87 0.83 -0.29 1.13 3.20 -0.96 -1.96 116.97 119.78 1mla h TYR 74 Ca 0.15 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1mla h TYR 74 Cb 0.60 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1mla h TYR 74 CO 0.04 0.57 -0.01 0.00 -1.64 0.00 0.00 178.16 177.12 1mla h ARG 75 N 0.84 0.45 -0.21 1.82 3.08 -0.78 -0.80 114.38 118.78 1mla h ARG 75 Ca 0.22 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1mla h ARG 75 Cb -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1mla h ARG 75 CO -0.04 0.49 0.12 0.28 -1.07 0.00 0.00 179.97 179.74 1mla h VAL 76 N 0.43 1.10 0.01 2.04 2.07 -0.85 0.31 116.25 121.37 1mla h VAL 76 Ca 0.10 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1mla h VAL 76 Cb 0.30 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1mla h VAL 76 CO 0.01 0.10 -0.07 -0.25 0.02 0.00 0.00 177.57 177.38 1mla h TRP 77 N 0.24 -0.16 -0.36 1.57 2.91 -0.70 -0.74 115.95 118.71 1mla h TRP 77 Ca 0.07 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 1mla h TRP 77 Cb 0.05 0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.75 1mla h TRP 77 CO -0.04 -0.10 0.19 1.96 -1.03 0.00 0.00 178.44 179.42 1mla h GLN 78 N -0.12 0.51 -0.94 2.65 4.20 -1.08 0.09 115.11 120.42 1mla h GLN 78 Ca 0.02 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1mla h GLN 78 Cb 0.15 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 1mla h GLN 78 CO -0.06 0.43 0.62 0.37 -0.67 0.00 0.00 178.83 179.52 1mla h GLN 79 N 0.46 1.18 -0.07 1.46 4.15 -0.64 -1.16 115.11 120.49 1mla h GLN 79 Ca 0.13 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1mla h GLN 79 Cb 0.07 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1mla h GLN 79 CO -0.02 0.78 0.00 1.04 -1.93 0.00 0.00 178.83 178.70 1mla n GLN 80 N -4.47 1.17 -1.32 1.69 1.13 -0.31 -4.87 117.38 110.40 1mla n GLN 80 Ca 0.12 -0.26 -0.01 0.00 -1.94 0.00 0.00 57.00 54.91 1mla n GLN 80 Cb 0.07 -1.07 -0.00 0.00 0.11 0.00 0.00 30.24 29.34 1mla n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mla n GLY 81 N 0.63 0.43 3.77 1.08 0.00 -0.44 -5.03 105.19 105.63 1mla n GLY 81 Ca 0.03 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 1mla n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mla s GLY 82 N -2.97 2.71 0.38 -0.02 0.00 -0.02 -5.01 107.32 102.40 1mla s GLY 82 Ca 0.00 0.92 -0.14 0.00 0.00 0.00 0.00 44.72 45.50 1mla s GLY 82 CO 0.00 1.32 0.79 0.54 0.00 0.00 0.00 173.10 175.75 1mla s LYS 83 N -3.10 3.92 0.27 2.90 -0.14 -1.26 -4.69 119.74 117.64 1mla s LYS 83 Ca 0.71 0.65 -0.31 0.00 -1.36 0.00 0.00 55.97 55.66 1mla s LYS 83 Cb -0.27 -2.37 -0.13 0.00 -1.68 0.00 0.00 37.83 33.39 1mla s LYS 83 CO 0.31 0.02 1.48 0.00 -0.76 0.00 0.00 175.35 176.40 1mla n ALA 84 N -0.89 1.73 -1.35 5.17 0.00 -1.26 -5.00 120.51 118.91 1mla n ALA 84 Ca 0.04 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.55 1mla n ALA 84 Cb 0.54 -2.35 0.08 0.00 0.00 0.00 0.00 19.45 17.71 1mla n ALA 84 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mla s PRO 85 N -0.52 2.43 0.23 0.00 0.04 -1.26 -4.96 135.00 130.96 1mla s PRO 85 Ca 0.66 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 1mla s PRO 85 Cb -0.58 -1.91 0.24 0.00 0.04 0.00 0.00 34.50 32.30 1mla s PRO 85 CO 0.50 -1.53 1.62 0.00 0.04 0.00 0.00 177.00 177.62 1mla h ALA 86 N -0.57 0.89 -2.90 8.56 0.00 -1.08 -3.47 119.26 120.69 1mla h ALA 86 Ca -0.45 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.10 1mla h ALA 86 Cb 1.24 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1mla h ALA 86 CO 0.52 0.63 0.29 0.00 0.00 0.00 0.00 179.25 180.69 1mla s MET 87 N -4.31 1.84 0.05 0.00 0.23 -1.26 -4.38 119.30 111.47 1mla s MET 87 Ca -0.07 -1.09 0.01 0.00 -1.03 0.00 0.00 55.69 53.51 1mla s MET 87 Cb 0.13 0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 33.98 1mla s MET 87 CO 0.82 -0.85 -0.05 -1.64 -2.03 0.00 0.00 175.02 171.26 1mla s MET 88 N -3.24 0.53 0.04 3.16 -1.94 -0.21 -2.06 119.30 115.59 1mla s MET 88 Ca 0.13 -0.90 -0.22 0.00 -1.71 0.00 0.00 55.69 52.99 1mla s MET 88 Cb -0.05 -0.08 0.05 0.00 2.01 0.00 0.00 34.83 36.76 1mla s MET 88 CO 0.08 -0.02 0.52 0.00 -0.01 0.00 0.00 175.02 175.59 1mla s ALA 89 N -2.24 -1.32 0.01 3.03 0.00 -0.90 -1.55 121.76 118.79 1mla s ALA 89 Ca -0.05 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 1mla s ALA 89 Cb -0.04 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1mla s ALA 89 CO -0.03 -0.49 0.10 0.20 0.00 0.00 0.00 175.76 175.54 1mla s GLY 90 N -1.92 0.09 -0.39 0.00 0.00 -1.26 -1.55 107.32 102.29 1mla s GLY 90 Ca -0.06 -0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.21 1mla s GLY 90 CO -0.01 -0.37 0.64 -1.58 0.00 0.00 0.00 173.10 171.78 1mla s HIS 91 N -1.43 3.11 0.00 1.90 2.46 -0.33 -3.22 115.29 117.79 1mla s HIS 91 Ca -0.15 0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.55 1mla s HIS 91 Cb -0.08 -3.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.15 1mla s HIS 91 CO 0.01 -0.73 0.00 0.45 -2.47 0.00 0.00 174.74 172.00 1mla n SER 92 N 6.13 0.00 -0.23 9.88 2.88 -1.26 -0.97 113.62 130.05 1mla n SER 92 Ca -0.01 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.64 1mla n SER 92 Cb 0.48 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.34 1mla n SER 92 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1mla h LEU 93 N 0.00 0.61 -2.40 2.46 7.12 -1.89 -2.06 115.31 119.15 1mla h LEU 93 Ca 0.00 0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.06 1mla h LEU 93 Cb 0.00 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.03 1mla h LEU 93 CO 0.00 0.34 0.10 1.23 -0.13 0.00 0.00 178.44 179.98 1mla h GLY 94 N 0.66 0.00 1.29 3.75 0.00 -1.11 -0.79 103.07 106.88 1mla h GLY 94 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1mla h GLY 94 CO -0.16 0.00 0.34 -2.09 0.00 0.00 0.00 176.54 174.63 1mla h GLU 95 N 0.00 0.93 -0.66 4.80 4.81 -1.34 -1.05 114.58 122.08 1mla h GLU 95 Ca 0.04 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1mla h GLU 95 Cb 0.24 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1mla h GLU 95 CO -0.00 0.70 0.10 1.88 -0.73 0.00 0.00 179.01 180.96 1mla h TYR 96 N 0.93 1.16 -0.67 0.92 -1.99 -1.30 -0.95 116.97 115.08 1mla h TYR 96 Ca 0.23 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 1mla h TYR 96 Cb 0.06 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.44 1mla h TYR 96 CO 0.01 0.98 0.21 0.77 -0.00 0.00 0.00 178.16 180.12 1mla h SER 97 N 1.02 0.98 -0.39 3.88 0.02 -1.38 -1.60 113.55 116.10 1mla h SER 97 Ca 0.20 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1mla h SER 97 Cb 0.45 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1mla h SER 97 CO 0.01 0.93 0.20 0.00 -1.14 0.00 0.00 176.83 176.84 1mla h ALA 98 N 1.09 0.50 -0.28 3.77 0.00 -1.00 -1.80 119.26 121.54 1mla h ALA 98 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1mla h ALA 98 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1mla h ALA 98 CO -0.01 0.04 -0.05 -0.07 0.00 0.00 0.00 179.25 179.17 1mla h LEU 99 N 0.49 0.41 0.04 0.00 3.38 -0.77 -0.09 115.31 118.77 1mla h LEU 99 Ca 0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1mla h LEU 99 Cb 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1mla h LEU 99 CO -0.02 0.51 -0.02 0.58 0.09 0.00 0.00 178.44 179.58 1mla h VAL 100 N 0.42 1.20 -0.15 1.22 2.07 -1.04 -0.21 116.25 119.76 1mla h VAL 100 Ca 0.09 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1mla h VAL 100 Cb 0.35 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1mla h VAL 100 CO 0.02 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.80 1mla n ALA 102 N -2.50 2.63 -0.88 0.00 0.00 -0.08 -4.93 120.51 114.75 1mla n ALA 102 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1mla n ALA 102 Cb 0.16 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1mla n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mla n GLY 103 N 0.90 0.56 0.13 0.00 0.00 -0.30 -1.14 105.19 105.34 1mla n GLY 103 Ca 0.17 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1mla n GLY 103 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mla h VAL 104 N 0.00 1.47 -4.27 1.61 2.07 -1.22 -3.40 116.25 112.51 1mla h VAL 104 Ca 0.00 -2.32 -0.67 0.00 0.82 0.00 0.00 66.70 64.53 1mla h VAL 104 Cb 0.00 2.91 -0.31 0.00 -1.52 0.00 0.00 31.29 32.37 1mla h VAL 104 CO 0.00 0.67 -0.88 -0.63 0.02 0.00 0.00 177.57 176.75 1mla s ILE 105 N -2.81 1.94 0.40 4.57 1.01 -1.18 -0.99 121.20 124.14 1mla s ILE 105 Ca -0.13 -1.03 -0.27 0.00 0.00 0.00 0.00 60.65 59.22 1mla s ILE 105 Cb 0.02 -1.63 -0.10 0.00 0.01 0.00 0.00 42.46 40.77 1mla s ILE 105 CO 0.83 0.55 1.42 -0.62 0.00 0.00 0.00 174.94 177.12 1mla s ASP 106 N -0.34 6.22 0.13 3.58 2.15 -1.26 -4.35 116.67 122.79 1mla s ASP 106 Ca 0.03 2.91 -0.20 0.00 0.43 0.00 0.00 52.55 55.72 1mla s ASP 106 Cb -0.11 -2.66 -0.03 0.00 -0.30 0.00 0.00 42.92 39.82 1mla s ASP 106 CO 0.01 -0.94 1.71 0.15 -0.17 0.00 0.00 175.17 175.93 1mla h PHE 107 N 2.75 -0.08 -0.39 -5.34 3.57 -1.99 -1.09 116.94 114.38 1mla h PHE 107 Ca -0.50 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 60.95 1mla h PHE 107 Cb 1.25 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 1mla h PHE 107 CO 0.52 -0.07 -0.00 0.00 -2.23 0.00 0.00 178.31 176.53 1mla h ALA 108 N 1.19 1.27 -0.47 2.41 0.00 -1.95 -1.21 119.26 120.51 1mla h ALA 108 Ca 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1mla h ALA 108 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1mla h ALA 108 CO -0.19 0.49 0.16 -0.44 0.00 0.00 0.00 179.25 179.27 1mla h ASP 109 N 0.59 0.67 -0.56 0.00 3.32 -1.87 -2.67 116.42 115.89 1mla h ASP 109 Ca 0.12 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1mla h ASP 109 Cb 0.38 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1mla h ASP 109 CO 0.01 0.68 0.08 0.00 -1.72 0.00 0.00 179.24 178.30 1mla h ALA 110 N 1.01 1.01 -0.19 3.45 0.00 -0.58 -0.53 119.26 123.44 1mla h ALA 110 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mla h ALA 110 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1mla h ALA 110 CO -0.01 0.62 0.12 0.28 0.00 0.00 0.00 179.25 180.27 1mla h VAL 111 N 0.92 1.04 -0.73 0.00 2.07 -1.12 -0.65 116.25 117.77 1mla h VAL 111 Ca 0.18 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 1mla h VAL 111 Cb 0.42 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1mla h VAL 111 CO 0.01 0.05 0.21 0.03 0.02 0.00 0.00 177.57 177.89 1mla h ARG 112 N 0.25 1.15 -0.49 1.57 3.08 -1.34 -2.83 114.38 115.78 1mla h ARG 112 Ca 0.07 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1mla h ARG 112 Cb -0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1mla h ARG 112 CO -0.02 0.99 0.17 1.25 -1.07 0.00 0.00 179.97 181.28 1mla h LEU 113 N 1.10 0.69 -0.48 3.04 5.85 -0.76 -2.43 115.31 122.33 1mla h LEU 113 Ca 0.24 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1mla h LEU 113 Cb 0.33 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1mla h LEU 113 CO -0.00 0.70 -0.15 -0.37 -0.34 0.00 0.00 178.44 178.28 1mla h VAL 114 N 0.65 0.29 -0.35 1.05 -1.51 -1.09 0.80 116.25 116.10 1mla h VAL 114 Ca 0.16 -1.20 -0.01 0.00 -1.23 0.00 0.00 66.70 64.42 1mla h VAL 114 Cb 0.24 1.96 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 1mla h VAL 114 CO -0.01 0.15 0.16 -0.08 -1.23 0.00 0.00 177.57 176.56 1mla h GLU 115 N 0.00 0.50 -0.70 5.19 4.81 -1.38 -1.88 114.58 121.13 1mla h GLU 115 Ca -0.00 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1mla h GLU 115 Cb 0.95 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1mla h GLU 115 CO 0.02 0.46 0.20 0.52 -0.73 0.00 0.00 179.01 179.49 1mla h MET 116 N 0.42 1.09 -0.74 1.92 2.86 -0.99 -1.75 114.93 117.75 1mla h MET 116 Ca 0.12 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1mla h MET 116 Cb 0.13 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1mla h MET 116 CO -0.01 0.95 0.48 -0.09 1.06 0.00 0.00 176.91 179.29 1mla h ARG 117 N 1.03 0.92 -0.64 1.72 2.43 -0.69 -0.37 114.38 118.79 1mla h ARG 117 Ca 0.22 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1mla h ARG 117 Cb 0.32 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1mla h ARG 117 CO -0.00 0.61 0.35 0.78 -1.51 0.00 0.00 179.97 180.19 1mla h GLY 118 N 0.95 0.96 0.98 2.80 0.00 -1.01 -1.12 103.07 106.63 1mla h GLY 118 Ca 0.29 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1mla h GLY 118 CO -0.09 0.42 0.23 0.50 0.00 0.00 0.00 176.54 177.61 1mla h LYS 119 N 0.88 0.82 -0.35 4.80 1.57 -0.70 -0.87 116.57 122.73 1mla h LYS 119 Ca 0.23 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1mla h LYS 119 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1mla h LYS 119 CO -0.04 0.71 -0.22 0.74 -0.57 0.00 0.00 179.45 180.07 1mla h PHE 120 N 0.76 0.76 -0.62 -1.35 0.04 -0.83 -2.09 116.94 113.61 1mla h PHE 120 Ca 0.19 -0.17 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 1mla h PHE 120 Cb 0.18 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1mla h PHE 120 CO 0.01 0.84 0.12 0.52 -0.60 0.00 0.00 178.31 179.20 1mla h MET 121 N 0.60 1.02 -0.68 1.51 2.86 -1.01 -1.94 114.93 117.29 1mla h MET 121 Ca 0.09 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.39 1mla h MET 121 Cb 0.70 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1mla h MET 121 CO 0.05 0.94 0.15 0.37 1.06 0.00 0.00 176.91 179.49 1mla h GLN 122 N 0.93 1.09 -0.01 1.72 5.75 -0.87 -2.95 115.11 120.77 1mla h GLN 122 Ca 0.19 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1mla h GLN 122 Cb 0.40 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.81 1mla h GLN 122 CO 0.01 0.98 -0.08 -0.85 -2.65 0.00 0.00 178.83 176.24 1mla n GLU 123 N -4.26 1.44 -0.36 1.69 0.28 -0.81 -4.35 120.64 114.26 1mla n GLU 123 Ca 0.05 -0.85 0.01 0.00 -0.16 0.00 0.00 57.16 56.21 1mla n GLU 123 Cb 0.26 -1.48 0.16 0.00 1.43 0.00 0.00 31.44 31.81 1mla n GLU 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1mla h ALA 124 N 4.16 1.37 -3.79 -1.84 0.00 -1.17 -3.43 119.26 114.56 1mla h ALA 124 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 1mla h ALA 124 Cb 0.51 -0.34 -0.27 0.00 0.00 0.00 0.00 17.79 17.69 1mla h ALA 124 CO 0.00 0.52 -0.76 0.08 0.00 0.00 0.00 179.25 179.09 1mla s VAL 125 N -6.05 0.54 0.41 0.00 1.01 -1.26 -4.95 120.40 110.11 1mla s VAL 125 Ca -0.13 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 1mla s VAL 125 Cb 0.19 -0.49 -0.10 0.00 0.00 0.00 0.00 36.38 35.98 1mla s VAL 125 CO 0.81 0.04 1.29 -2.65 0.00 0.00 0.00 175.10 174.59 1mla n PRO 126 N 2.60 1.99 -1.70 2.72 -0.02 -1.26 -4.91 135.00 134.42 1mla n PRO 126 Ca -0.15 0.71 -0.44 0.00 -2.02 0.00 0.00 63.50 61.60 1mla n PRO 126 Cb 0.57 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1mla n PRO 126 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1mla n GLU 127 N 0.09 2.39 -0.52 -0.52 4.07 -1.26 -1.49 120.64 123.39 1mla n GLU 127 Ca 0.06 0.86 0.00 0.00 -0.06 0.00 0.00 57.16 58.02 1mla n GLU 127 Cb 0.39 -2.63 0.00 0.00 -0.06 0.00 0.00 31.44 29.15 1mla n GLU 127 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1mla n GLY 128 N 3.08 0.87 0.14 8.31 0.00 -1.26 -4.92 105.19 111.42 1mla n GLY 128 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1mla n GLY 128 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1mla h THR 129 N 0.00 1.14 -1.06 2.61 2.02 -1.59 -3.45 112.91 112.59 1mla h THR 129 Ca 0.00 -2.64 -0.56 0.00 0.77 0.00 0.00 66.41 63.97 1mla h THR 129 Cb 0.00 2.91 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 1mla h THR 129 CO 0.00 0.84 -0.39 -0.83 0.37 0.00 0.00 175.52 175.51 1mla s GLY 130 N -4.84 2.35 0.17 2.16 0.00 -1.26 -0.36 107.32 105.54 1mla s GLY 130 Ca -0.12 -1.59 -0.24 0.00 0.00 0.00 0.00 44.72 42.77 1mla s GLY 130 CO 0.90 -1.90 0.83 0.00 0.00 0.00 0.00 173.10 172.93 1mla s ALA 131 N -2.66 -1.53 0.01 3.20 0.00 -0.44 -4.36 121.76 115.98 1mla s ALA 131 Ca 0.37 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1mla s ALA 131 Cb -0.00 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1mla s ALA 131 CO 0.22 -0.96 -0.00 -1.64 0.00 0.00 0.00 175.76 173.38 1mla s MET 132 N -3.53 0.30 -0.09 0.00 -1.94 -1.26 -2.18 119.30 110.61 1mla s MET 132 Ca 0.09 -0.52 -0.16 0.00 -1.71 0.00 0.00 55.69 53.40 1mla s MET 132 Cb -0.03 0.11 0.04 0.00 2.01 0.00 0.00 34.83 36.96 1mla s MET 132 CO 0.00 -0.05 0.39 0.00 -0.01 0.00 0.00 175.02 175.35 1mla s ALA 133 N -1.29 -0.98 -0.07 3.03 0.00 -0.67 -1.41 121.76 120.37 1mla s ALA 133 Ca -0.14 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 1mla s ALA 133 Cb -0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1mla s ALA 133 CO -0.01 -0.23 0.35 0.00 0.00 0.00 0.00 175.76 175.87 1mla s ALA 134 N -0.50 3.68 -0.22 0.00 0.00 0.78 -0.67 121.76 124.83 1mla s ALA 134 Ca -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 1mla s ALA 134 Cb -0.04 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.74 1mla s ALA 134 CO 0.03 0.36 -0.07 0.42 0.00 0.00 0.00 175.76 176.50 1mla s ILE 135 N -0.55 3.02 -0.05 0.00 -1.09 0.12 -0.40 121.20 122.26 1mla s ILE 135 Ca 0.21 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1mla s ILE 135 Cb -0.15 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.30 1mla s ILE 135 CO 0.09 0.38 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.48 1mla s ILE 136 N 1.41 3.67 -0.53 2.92 1.09 -0.22 -2.56 121.20 126.97 1mla s ILE 136 Ca 0.04 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 1mla s ILE 136 Cb -0.15 -2.51 0.00 0.00 -1.06 0.00 0.00 42.46 38.74 1mla s ILE 136 CO -0.05 0.56 0.00 0.61 -0.10 0.00 0.00 174.94 175.96 1mla n GLY 137 N 2.10 0.43 3.13 6.18 0.00 -0.45 -0.11 105.19 116.48 1mla n GLY 137 Ca -0.17 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 1mla n GLY 137 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mla s LEU 138 N -1.47 2.09 0.76 0.99 0.20 -1.26 -4.39 118.68 115.59 1mla s LEU 138 Ca 0.00 -0.34 -0.11 0.00 0.69 0.00 0.00 54.13 54.36 1mla s LEU 138 Cb 0.00 -0.71 0.05 0.00 -0.43 0.00 0.00 46.19 45.10 1mla s LEU 138 CO 0.00 0.13 1.10 1.51 -0.29 0.00 0.00 176.35 178.80 1mla s ASP 139 N -0.66 4.54 0.19 3.68 -4.77 -1.26 -4.11 116.67 114.28 1mla s ASP 139 Ca 0.04 1.87 -0.12 0.00 -3.30 0.00 0.00 52.55 51.05 1mla s ASP 139 Cb -0.07 -2.53 0.19 0.00 -1.09 0.00 0.00 42.92 39.42 1mla s ASP 139 CO 0.00 -2.01 1.78 0.44 0.70 0.00 0.00 175.17 176.08 1mla h ASP 140 N -0.95 0.36 -0.77 2.11 3.32 -1.99 -2.38 116.42 116.12 1mla h ASP 140 Ca -0.44 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1mla h ASP 140 Cb 1.24 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 1mla h ASP 140 CO 0.51 0.24 0.49 0.00 -1.72 0.00 0.00 179.24 178.77 1mla h ALA 141 N 1.32 0.98 -0.21 3.45 0.00 -1.99 -0.32 119.26 122.48 1mla h ALA 141 Ca 0.25 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1mla h ALA 141 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1mla h ALA 141 CO -0.20 0.41 -0.35 0.77 0.00 0.00 0.00 179.25 179.89 1mla h SER 142 N 1.05 0.46 -0.37 0.00 0.02 -1.87 -1.84 113.55 111.01 1mla h SER 142 Ca 0.28 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1mla h SER 142 Cb -0.09 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1mla h SER 142 CO -0.06 0.78 0.05 0.40 -1.14 0.00 0.00 176.83 176.85 1mla h ILE 143 N 0.38 1.24 -0.43 3.27 2.04 -0.84 -1.07 117.51 122.11 1mla h ILE 143 Ca 0.04 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1mla h ILE 143 Cb 0.79 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1mla h ILE 143 CO 0.06 0.30 0.14 0.00 0.00 0.00 0.00 178.15 178.65 1mla h ALA 144 N 0.90 1.46 -0.35 1.87 0.00 -0.78 -0.48 119.26 121.89 1mla h ALA 144 Ca 0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1mla h ALA 144 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1mla h ALA 144 CO 0.01 0.41 -0.14 -0.22 0.00 0.00 0.00 179.25 179.31 1mla h LYS 145 N 0.61 0.70 -0.66 0.00 3.64 -1.12 -1.30 116.57 118.43 1mla h LYS 145 Ca 0.15 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1mla h LYS 145 Cb 0.17 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1mla h LYS 145 CO -0.01 0.89 0.25 0.00 -2.27 0.00 0.00 179.45 178.31 1mla h ALA 146 N 0.79 0.86 -0.53 5.00 0.00 -0.75 -1.04 119.26 123.59 1mla h ALA 146 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1mla h ALA 146 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1mla h ALA 146 CO 0.04 0.50 0.15 0.00 0.00 0.00 0.00 179.25 179.94 1mla h GLU 148 N 0.75 0.82 -0.10 0.00 4.81 -0.72 -1.35 114.58 118.79 1mla h GLU 148 Ca 0.17 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1mla h GLU 148 Cb 0.31 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1mla h GLU 148 CO -0.00 0.59 -0.37 0.93 -0.73 0.00 0.00 179.01 179.42 1mla h GLU 149 N 0.82 0.20 0.00 1.92 5.08 -1.12 -3.15 114.58 118.33 1mla h GLU 149 Ca 0.22 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1mla h GLU 149 Cb -0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1mla h GLU 149 CO -0.04 0.55 -0.30 0.00 -1.00 0.00 0.00 179.01 178.21 1mla n ALA 150 N -2.47 2.69 -0.12 3.43 0.00 -0.71 -4.39 120.51 118.93 1mla n ALA 150 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 1mla n ALA 150 Cb 0.44 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.59 1mla n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mla h ALA 151 N 2.64 0.48 -6.84 0.00 0.00 -1.21 -3.44 119.26 110.89 1mla h ALA 151 Ca 0.00 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 1mla h ALA 151 Cb 0.68 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 1mla h ALA 151 CO 0.00 -0.11 -0.95 0.39 0.00 0.00 0.00 179.25 178.58 1mla n GLU 152 N -4.87 -1.61 -0.81 0.00 1.02 -1.26 -0.77 120.64 112.34 1mla n GLU 152 Ca 0.01 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1mla n GLU 152 Cb 0.06 -3.77 0.00 0.00 -0.02 0.00 0.00 31.44 27.71 1mla n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mla n GLY 153 N -2.29 0.69 0.00 0.62 0.00 -1.26 -5.02 105.19 97.94 1mla n GLY 153 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1mla n GLY 153 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mla n GLN 154 N -2.56 3.27 -4.64 1.61 6.02 0.05 -5.14 117.38 115.98 1mla n GLN 154 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1mla n GLN 154 Cb 0.00 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.11 1mla n GLN 154 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1mla s VAL 155 N 0.31 2.58 -0.21 5.09 1.01 -1.26 -4.86 120.40 123.06 1mla s VAL 155 Ca 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 1mla s VAL 155 Cb 0.00 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.39 1mla s VAL 155 CO 0.00 0.52 0.48 0.54 0.00 0.00 0.00 175.10 176.65 1mla s VAL 156 N 0.72 -0.38 0.02 2.92 0.11 -1.26 -1.09 120.40 121.44 1mla s VAL 156 Ca -0.07 0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1mla s VAL 156 Cb -0.16 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1mla s VAL 156 CO 0.01 0.04 -0.00 -0.44 -3.33 0.00 0.00 175.10 171.38 1mla s SER 157 N 2.08 0.19 0.03 3.54 0.01 -0.62 -4.67 113.70 114.26 1mla s SER 157 Ca -0.06 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1mla s SER 157 Cb -0.10 0.11 -0.08 0.00 0.21 0.00 0.00 66.02 66.17 1mla s SER 157 CO -0.15 -0.29 1.72 -2.16 0.41 0.00 0.00 173.24 172.77 1mla s PRO 158 N -1.35 4.18 -0.01 12.44 0.04 -1.26 -1.60 135.00 147.44 1mla s PRO 158 Ca -0.15 2.35 0.05 0.00 0.04 0.00 0.00 61.00 63.29 1mla s PRO 158 Cb -0.09 -3.82 -0.08 0.00 0.04 0.00 0.00 34.50 30.55 1mla s PRO 158 CO -0.01 -0.81 0.12 1.33 0.04 0.00 0.00 177.00 177.67 1mla n VAL 159 N 5.11 0.00 -3.74 -0.36 0.24 0.44 -4.62 118.33 115.41 1mla n VAL 159 Ca 0.17 -0.14 -0.23 0.00 -2.04 0.00 0.00 64.34 62.10 1mla n VAL 159 Cb 0.41 0.44 -0.17 0.00 -1.47 0.00 0.00 33.84 33.04 1mla n VAL 159 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1mla s ASN 160 N -2.49 1.77 -0.72 -1.34 0.01 -0.99 -0.65 114.94 110.53 1mla s ASN 160 Ca -0.02 -0.21 -0.16 0.00 -0.71 0.00 0.00 52.86 51.76 1mla s ASN 160 Cb 0.03 -0.40 0.16 0.00 0.41 0.00 0.00 41.25 41.45 1mla s ASN 160 CO 0.21 -0.23 0.74 -0.36 -1.51 0.00 0.00 177.10 175.95 1mla s PHE 161 N 2.00 3.36 -0.13 2.20 0.08 -0.69 -1.29 117.98 123.52 1mla s PHE 161 Ca 0.04 -1.49 -0.11 0.00 0.12 0.00 0.00 56.93 55.49 1mla s PHE 161 Cb -0.13 -3.93 -0.26 0.00 -0.57 0.00 0.00 43.02 38.13 1mla s PHE 161 CO -0.06 -1.15 0.40 -0.91 -0.10 0.00 0.00 175.22 173.40 1mla h ASN 162 N 8.54 0.36 -5.12 1.36 2.35 -1.66 -0.99 115.58 120.41 1mla h ASN 162 Ca -0.08 -0.86 -0.03 0.00 -0.55 0.00 0.00 56.30 54.78 1mla h ASN 162 Cb 1.06 -0.12 -0.10 0.00 0.05 0.00 0.00 38.32 39.22 1mla h ASN 162 CO 0.96 1.76 -0.02 -0.94 -1.65 0.00 0.00 177.43 177.54 1mla s SER 163 N -7.04 -0.20 0.09 5.81 1.04 -1.02 -4.20 113.70 108.19 1mla s SER 163 Ca -0.23 -0.61 -0.35 0.00 0.48 0.00 0.00 55.95 55.24 1mla s SER 163 Cb 0.06 0.58 -0.15 0.00 0.10 0.00 0.00 66.02 66.61 1mla s SER 163 CO 0.75 -1.08 1.53 -2.65 0.98 0.00 0.00 173.24 172.77 1mla n PRO 164 N -0.34 1.77 -0.72 4.02 -0.02 -1.26 -1.91 135.00 136.54 1mla n PRO 164 Ca -0.08 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1mla n PRO 164 Cb 0.62 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1mla n PRO 164 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mla n GLY 165 N 3.24 0.76 2.76 -1.23 0.00 -1.26 -4.96 105.19 104.51 1mla n GLY 165 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 1mla n GLY 165 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mla s GLN 166 N -0.28 0.27 -0.03 1.61 0.74 -0.80 -1.34 119.66 119.83 1mla s GLN 166 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.46 1mla s GLN 166 Cb 0.00 -0.85 0.01 0.00 1.10 0.00 0.00 33.01 33.26 1mla s GLN 166 CO 0.00 -0.86 -0.09 0.08 -0.55 0.00 0.00 175.29 173.86 1mla s VAL 167 N 2.36 0.81 -0.15 1.34 1.01 -1.06 -1.85 120.40 122.86 1mla s VAL 167 Ca 0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1mla s VAL 167 Cb -0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1mla s VAL 167 CO -0.24 0.26 0.09 -0.69 0.00 0.00 0.00 175.10 174.52 1mla s VAL 168 N 0.30 5.06 0.21 2.92 1.01 -0.41 -0.70 120.40 128.79 1mla s VAL 168 Ca -0.05 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.07 1mla s VAL 168 Cb -0.10 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1mla s VAL 168 CO 0.01 0.54 -0.03 0.27 0.00 0.00 0.00 175.10 175.89 1mla s ILE 169 N -0.34 3.47 0.12 2.22 -4.36 0.16 -0.42 121.20 122.05 1mla s ILE 169 Ca 0.10 -1.68 -0.15 0.00 -0.26 0.00 0.00 60.65 58.67 1mla s ILE 169 Cb -0.12 -2.78 0.03 0.00 1.25 0.00 0.00 42.46 40.84 1mla s ILE 169 CO 0.01 -0.21 0.36 0.00 0.24 0.00 0.00 174.94 175.35 1mla s ALA 170 N -1.95 -0.80 0.00 2.27 0.00 -0.63 -1.67 121.76 118.99 1mla s ALA 170 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1mla s ALA 170 Cb -0.08 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1mla s ALA 170 CO 0.18 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1mla n GLY 171 N -0.20 -0.31 3.76 0.00 0.00 -0.92 -1.58 105.19 105.94 1mla n GLY 171 Ca -0.16 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1mla n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mla s HIS 172 N -3.75 2.66 0.22 1.61 3.76 -0.25 -1.33 115.29 118.22 1mla s HIS 172 Ca 0.00 1.41 -0.09 0.00 -0.15 0.00 0.00 55.06 56.22 1mla s HIS 172 Cb 0.00 -3.68 0.34 0.00 1.11 0.00 0.00 32.58 30.35 1mla s HIS 172 CO 0.00 -2.27 1.67 -0.22 -0.85 0.00 0.00 174.74 173.07 1mla h LYS 173 N 2.24 0.16 -0.14 1.40 3.64 -0.90 -1.05 116.57 121.94 1mla h LYS 173 Ca -0.50 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.79 1mla h LYS 173 Cb 1.26 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1mla h LYS 173 CO 0.61 0.11 -0.23 0.93 -2.27 0.00 0.00 179.45 178.59 1mla h GLU 174 N 0.17 0.40 -0.61 1.90 3.07 -1.91 -2.08 114.58 115.52 1mla h GLU 174 Ca 0.35 -0.25 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1mla h GLU 174 Cb 0.57 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 1mla h GLU 174 CO -0.51 0.84 0.40 0.00 -1.40 0.00 0.00 179.01 178.33 1mla h ALA 175 N 0.56 1.71 -0.46 3.43 0.00 -1.78 -0.60 119.26 122.12 1mla h ALA 175 Ca 0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1mla h ALA 175 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1mla h ALA 175 CO 0.05 0.22 -0.14 0.28 0.00 0.00 0.00 179.25 179.66 1mla h VAL 176 N 0.69 1.26 -0.33 0.00 2.07 -0.93 0.60 116.25 119.62 1mla h VAL 176 Ca 0.25 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 1mla h VAL 176 Cb 0.13 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1mla h VAL 176 CO -0.07 0.43 -0.08 -0.33 0.02 0.00 0.00 177.57 177.53 1mla h GLU 177 N 0.77 0.63 -0.63 1.57 5.08 -0.62 -1.04 114.58 120.34 1mla h GLU 177 Ca 0.12 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1mla h GLU 177 Cb 0.65 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1mla h GLU 177 CO 0.05 0.81 0.40 0.00 -1.00 0.00 0.00 179.01 179.27 1mla h ARG 178 N 0.41 0.84 -0.44 2.33 3.08 -0.96 -2.19 114.38 117.46 1mla h ARG 178 Ca 0.08 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1mla h ARG 178 Cb 0.58 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1mla h ARG 178 CO 0.03 0.58 -0.08 0.00 -1.07 0.00 0.00 179.97 179.44 1mla h ALA 179 N 1.21 1.05 -0.31 0.04 0.00 -0.65 -0.99 119.26 119.61 1mla h ALA 179 Ca 0.23 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1mla h ALA 179 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1mla h ALA 179 CO -0.05 0.58 0.19 0.78 0.00 0.00 0.00 179.25 180.76 1mla h GLY 180 N 0.97 0.45 0.98 0.00 0.00 -0.98 0.96 103.07 105.46 1mla h GLY 180 Ca 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1mla h GLY 180 CO 0.03 0.18 -0.01 0.00 0.00 0.00 0.00 176.54 176.74 1mla h ALA 181 N 1.08 -0.03 -0.84 3.60 0.00 -1.13 -0.82 119.26 121.11 1mla h ALA 181 Ca 0.11 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1mla h ALA 181 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1mla h ALA 181 CO -0.02 -0.51 0.53 0.00 0.00 0.00 0.00 179.25 179.25 1mla h ALA 182 N 0.92 1.13 -0.76 0.00 0.00 -0.94 0.03 119.26 119.65 1mla h ALA 182 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1mla h ALA 182 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1mla h ALA 182 CO 0.01 0.32 0.27 0.00 0.00 0.00 0.00 179.25 179.84 1mla h LYS 184 N 1.11 0.44 -0.51 0.00 3.64 -0.47 0.25 116.57 121.04 1mla h LYS 184 Ca 0.25 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1mla h LYS 184 Cb 0.26 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1mla h LYS 184 CO -0.01 0.42 0.33 0.00 -2.27 0.00 0.00 179.45 177.92 1mla h ALA 185 N 1.00 1.63 -0.00 5.00 0.00 -0.50 -1.35 119.26 125.04 1mla h ALA 185 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mla h ALA 185 Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1mla h ALA 185 CO -0.01 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1mla n ALA 186 N -2.46 2.64 0.00 0.00 0.00 -0.26 -4.87 120.51 115.56 1mla n ALA 186 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1mla n ALA 186 Cb 0.05 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1mla n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mla n GLY 187 N 0.87 0.93 3.76 0.00 0.00 -0.51 -5.06 105.19 105.18 1mla n GLY 187 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1mla n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mla s ALA 188 N -2.00 3.57 0.33 4.61 0.00 0.04 -4.77 121.76 123.54 1mla s ALA 188 Ca 0.00 1.35 0.08 0.00 0.00 0.00 0.00 51.96 53.38 1mla s ALA 188 Cb 0.00 -3.54 0.59 0.00 0.00 0.00 0.00 23.12 20.18 1mla s ALA 188 CO 0.00 -0.76 1.80 -0.22 0.00 0.00 0.00 175.76 176.58 1mla h LYS 189 N 4.00 0.26 -1.68 0.00 3.64 -0.72 -3.41 116.57 118.66 1mla h LYS 189 Ca -0.48 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1mla h LYS 189 Cb 1.22 -0.02 -0.23 0.00 -0.41 0.00 0.00 32.23 32.79 1mla h LYS 189 CO 0.70 0.52 0.43 0.50 -2.27 0.00 0.00 179.45 179.33 1mla s ARG 190 N -4.43 0.65 -0.27 1.90 6.06 -1.17 -4.98 118.95 116.71 1mla s ARG 190 Ca -0.05 0.39 0.00 0.00 -2.50 0.00 0.00 55.73 53.57 1mla s ARG 190 Cb 0.14 0.31 0.08 0.00 0.06 0.00 0.00 34.95 35.55 1mla s ARG 190 CO 0.76 -0.16 0.02 0.00 -2.50 0.00 0.00 175.30 173.42 1mla s ALA 191 N -0.55 1.89 -0.31 6.12 0.00 -1.26 -1.06 121.76 126.60 1mla s ALA 191 Ca -0.01 -1.60 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 1mla s ALA 191 Cb -0.02 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1mla s ALA 191 CO 0.00 -1.43 0.18 -0.51 0.00 0.00 0.00 175.76 174.00 1mla s LEU 192 N 1.43 4.19 0.37 0.00 1.43 0.46 -4.91 118.68 121.65 1mla s LEU 192 Ca 0.03 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.43 1mla s LEU 192 Cb -0.18 -2.05 -0.11 0.00 0.03 0.00 0.00 46.19 43.88 1mla s LEU 192 CO -0.13 -0.18 1.51 -2.16 0.23 0.00 0.00 176.35 175.62 1mla s PRO 193 N 1.66 4.10 0.00 1.29 0.04 -1.26 -0.15 135.00 140.67 1mla s PRO 193 Ca 0.05 2.60 -0.03 0.00 0.04 0.00 0.00 61.00 63.66 1mla s PRO 193 Cb -0.17 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 1mla s PRO 193 CO 0.08 -0.57 0.20 -0.51 0.04 0.00 0.00 177.00 176.24 1mla s LEU 194 N -1.89 4.37 -0.87 -3.56 1.43 -0.50 -4.87 118.68 112.78 1mla s LEU 194 Ca 0.54 0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.96 1mla s LEU 194 Cb -0.47 -2.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.99 1mla s LEU 194 CO 0.62 0.25 2.55 -0.81 0.23 0.00 0.00 176.35 179.19 1mla n PRO 195 N 0.92 2.40 -3.92 1.29 -0.04 -1.26 -4.65 135.00 129.73 1mla n PRO 195 Ca -0.10 -1.48 -0.13 0.00 -0.04 0.00 0.00 63.50 61.75 1mla n PRO 195 Cb 0.52 -2.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.45 1mla n PRO 195 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mla s VAL 196 N 2.53 0.09 -1.02 0.52 -7.23 -1.26 -5.02 120.40 109.01 1mla s VAL 196 Ca 0.51 -0.02 0.17 0.00 -1.81 0.00 0.00 61.98 60.83 1mla s VAL 196 Cb 0.16 -0.10 -0.14 0.00 0.56 0.00 0.00 36.38 36.86 1mla s VAL 196 CO -0.03 0.04 0.77 -1.54 -0.31 0.00 0.00 175.10 174.03 1mla n SER 197 N 3.23 1.05 -4.64 4.85 3.41 -1.26 -4.19 113.62 116.07 1mla n SER 197 Ca -0.15 -1.03 -0.43 0.00 -0.26 0.00 0.00 58.87 57.01 1mla n SER 197 Cb 0.58 0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 65.36 1mla n SER 197 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mla s VAL 198 N -2.45 4.65 -1.35 -3.33 1.01 -1.26 -4.09 120.40 113.58 1mla s VAL 198 Ca 0.09 1.67 -0.14 0.00 0.00 0.00 0.00 61.98 63.60 1mla s VAL 198 Cb 0.13 -4.30 0.10 0.00 0.00 0.00 0.00 36.38 32.31 1mla s VAL 198 CO 0.63 -0.32 1.92 -0.81 0.00 0.00 0.00 175.10 176.53 1mla n PRO 199 N 6.50 3.19 -1.90 2.72 -0.04 -1.26 -4.83 135.00 139.38 1mla n PRO 199 Ca 0.10 -3.16 -0.36 0.00 -0.04 0.00 0.00 63.50 60.04 1mla n PRO 199 Cb 0.47 -3.22 0.05 0.00 -0.04 0.00 0.00 33.50 30.76 1mla n PRO 199 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1mla s SER 200 N 2.81 4.98 -1.28 3.54 0.01 -1.26 -3.80 113.70 118.71 1mla s SER 200 Ca 0.46 2.42 0.00 0.00 1.31 0.00 0.00 55.95 60.14 1mla s SER 200 Cb 0.08 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1mla s SER 200 CO -0.01 -1.73 0.00 1.41 0.41 0.00 0.00 173.24 173.31 1mla n HIS 201 N -1.78 -0.10 -4.54 2.43 8.25 -0.77 -4.83 115.22 113.87 1mla n HIS 201 Ca 0.14 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.34 1mla n HIS 201 Cb 0.49 -2.36 -0.09 0.00 1.12 0.00 0.00 29.99 29.15 1mla n HIS 201 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mla h ALA 203 N 1.83 2.02 0.00 0.00 0.00 -1.90 -0.89 119.26 120.32 1mla h ALA 203 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1mla h ALA 203 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1mla h ALA 203 CO 0.65 -0.52 0.00 1.28 0.00 0.00 0.00 179.25 180.67 1mla n LEU 204 N -3.80 0.69 -0.22 0.00 4.77 -1.26 -2.16 117.00 115.01 1mla n LEU 204 Ca 0.05 0.70 0.15 0.00 -0.03 0.00 0.00 56.01 56.88 1mla n LEU 204 Cb 0.50 -0.64 0.67 0.00 -2.33 0.00 0.00 43.42 41.62 1mla n LEU 204 CO 0.28 -0.67 0.93 0.23 -1.33 0.00 0.00 177.39 176.83 1mla n MET 205 N -2.29 1.16 -0.31 3.23 2.81 -0.34 -4.38 117.12 116.99 1mla n MET 205 Ca 0.01 -0.45 0.05 0.00 -1.81 0.00 0.00 57.70 55.50 1mla n MET 205 Cb 0.19 -1.49 0.20 0.00 -0.71 0.00 0.00 33.22 31.40 1mla n MET 205 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1mla h LYS 206 N 1.10 0.80 -0.78 0.03 1.63 -1.63 -0.86 116.57 116.87 1mla h LYS 206 Ca 0.00 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1mla h LYS 206 Cb 0.31 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1mla h LYS 206 CO 0.00 0.53 0.52 -1.00 -3.45 0.00 0.00 179.45 176.05 1mla h PRO 207 N 0.83 0.99 -0.41 1.90 0.13 -1.86 -1.19 132.00 132.39 1mla h PRO 207 Ca 0.44 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.39 1mla h PRO 207 Cb 0.44 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 1mla h PRO 207 CO -0.27 0.66 -0.21 0.00 -0.23 0.00 0.00 178.00 177.95 1mla h ALA 208 N 1.52 0.85 -0.80 -0.56 0.00 -1.46 -2.73 119.26 116.08 1mla h ALA 208 Ca 0.29 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1mla h ALA 208 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1mla h ALA 208 CO -0.07 0.64 0.38 0.00 0.00 0.00 0.00 179.25 180.19 1mla h ALA 209 N 1.04 1.15 -0.88 0.00 0.00 -0.64 -0.67 119.26 119.26 1mla h ALA 209 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1mla h ALA 209 Cb 0.73 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1mla h ALA 209 CO 0.06 0.64 0.47 -0.44 0.00 0.00 0.00 179.25 179.97 1mla h ASP 210 N 1.15 1.11 -0.32 0.00 3.32 -1.08 -0.40 116.42 120.19 1mla h ASP 210 Ca 0.28 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 57.05 1mla h ASP 210 Cb 0.13 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1mla h ASP 210 CO -0.03 0.90 -0.43 0.11 -1.72 0.00 0.00 179.24 178.07 1mla h LYS 211 N 1.23 0.89 -0.88 3.56 1.57 -1.14 -3.14 116.57 118.66 1mla h LYS 211 Ca 0.31 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1mla h LYS 211 Cb 0.05 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1mla h LYS 211 CO -0.05 1.14 0.50 1.25 -0.57 0.00 0.00 179.45 181.72 1mla h LEU 212 N 0.71 1.09 -1.32 2.94 5.85 -0.80 -2.65 115.31 121.13 1mla h LEU 212 Ca 0.05 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1mla h LEU 212 Cb 1.03 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1mla h LEU 212 CO 0.10 0.87 0.51 0.00 -0.34 0.00 0.00 178.44 179.58 1mla h ALA 213 N 1.31 1.67 -0.40 1.25 0.00 -1.03 -0.20 119.26 121.87 1mla h ALA 213 Ca 0.31 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1mla h ALA 213 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1mla h ALA 213 CO -0.05 0.20 -0.03 0.28 0.00 0.00 0.00 179.25 179.65 1mla h VAL 214 N 0.81 1.27 -0.43 0.00 2.07 -1.50 -2.57 116.25 115.90 1mla h VAL 214 Ca 0.34 -1.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 1mla h VAL 214 Cb 0.28 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1mla h VAL 214 CO -0.12 0.36 -0.22 -0.33 0.02 0.00 0.00 177.57 177.28 1mla h GLU 215 N 0.54 0.87 -0.33 1.57 4.39 -1.17 -3.15 114.58 117.30 1mla h GLU 215 Ca 0.11 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 1mla h GLU 215 Cb 0.51 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1mla h GLU 215 CO 0.03 1.00 0.05 -0.07 -1.16 0.00 0.00 179.01 178.85 1mla h LEU 216 N 0.76 0.45 -2.07 1.33 3.38 -0.93 -2.07 115.31 116.15 1mla h LEU 216 Ca 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1mla h LEU 216 Cb 0.76 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1mla h LEU 216 CO 0.06 0.48 -0.07 0.00 0.09 0.00 0.00 178.44 179.01 1mla h ALA 217 N 1.58 1.19 -0.00 1.53 0.00 -1.41 -2.40 119.26 119.74 1mla h ALA 217 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1mla h ALA 217 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1mla h ALA 217 CO 0.00 0.09 -0.13 1.63 0.00 0.00 0.00 179.25 180.84 1mla n LYS 218 N -3.44 0.45 -4.14 0.00 5.02 -0.78 -4.86 118.16 110.40 1mla n LYS 218 Ca -0.02 -0.13 -0.34 0.00 -2.02 0.00 0.00 58.31 55.80 1mla n LYS 218 Cb 0.21 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 1mla n LYS 218 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mla s ILE 219 N -2.64 4.70 0.08 -0.18 1.01 -0.90 -5.08 121.20 118.18 1mla s ILE 219 Ca 0.24 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 1mla s ILE 219 Cb 0.20 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1mla s ILE 219 CO 0.51 0.44 1.02 -0.89 0.00 0.00 0.00 174.94 176.03 1mla s THR 220 N -1.10 4.46 -0.09 2.92 2.01 -1.26 -5.03 115.64 117.54 1mla s THR 220 Ca 0.20 1.91 0.00 0.00 0.31 0.00 0.00 61.69 64.10 1mla s THR 220 Cb -0.12 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1mla s THR 220 CO 0.10 0.23 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.82 1mla s PHE 221 N 0.46 2.91 0.31 4.92 0.40 -1.26 -4.62 117.98 121.10 1mla s PHE 221 Ca 0.51 -0.17 0.09 0.00 -0.60 0.00 0.00 56.93 56.76 1mla s PHE 221 Cb -0.24 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1mla s PHE 221 CO 0.30 0.16 0.05 -0.80 0.70 0.00 0.00 175.22 175.62 1mla s ASN 222 N -0.38 4.48 0.26 1.36 0.01 -0.16 -4.87 114.94 115.63 1mla s ASN 222 Ca 0.05 -0.79 -0.29 0.00 -0.71 0.00 0.00 52.86 51.12 1mla s ASN 222 Cb -0.12 -0.71 -0.09 0.00 0.41 0.00 0.00 41.25 40.73 1mla s ASN 222 CO 0.02 -0.16 1.22 0.00 -1.51 0.00 0.00 177.10 176.67 1mla s ALA 223 N -2.41 3.46 0.38 0.60 0.00 -1.26 -4.35 121.76 118.18 1mla s ALA 223 Ca 0.34 1.06 -0.27 0.00 0.00 0.00 0.00 51.96 53.09 1mla s ALA 223 Cb -0.03 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 1mla s ALA 223 CO 0.21 -0.42 1.33 -1.25 0.00 0.00 0.00 175.76 175.62 1mla s PRO 224 N -1.06 4.10 0.09 0.00 0.04 -1.26 -4.57 135.00 132.33 1mla s PRO 224 Ca 0.50 2.22 0.25 0.00 0.04 0.00 0.00 61.00 64.01 1mla s PRO 224 Cb -0.35 -2.87 0.42 0.00 0.04 0.00 0.00 34.50 31.73 1mla s PRO 224 CO 0.43 -0.41 1.37 0.25 0.04 0.00 0.00 177.00 178.68 1mla n THR 225 N 0.36 0.27 -4.13 1.26 -2.24 -0.29 -4.81 114.28 104.70 1mla n THR 225 Ca 0.02 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1mla n THR 225 Cb 0.42 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.44 1mla n THR 225 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mla s VAL 226 N -3.12 0.38 0.38 2.28 1.01 -1.26 -5.12 120.40 114.94 1mla s VAL 226 Ca 0.08 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.54 1mla s VAL 226 Cb 0.14 -0.33 -0.11 0.00 0.00 0.00 0.00 36.38 36.09 1mla s VAL 226 CO 0.71 0.09 1.50 -2.84 0.00 0.00 0.00 175.10 174.56 1mla s PRO 227 N -0.17 4.09 -0.17 2.72 0.02 -1.26 -4.86 135.00 135.38 1mla s PRO 227 Ca 0.01 2.59 0.01 0.00 0.02 0.00 0.00 61.00 63.64 1mla s PRO 227 Cb -0.02 -2.96 0.02 0.00 0.02 0.00 0.00 34.50 31.55 1mla s PRO 227 CO -0.00 -0.56 -0.19 0.08 -0.33 0.00 0.00 177.00 176.00 1mla s VAL 228 N -1.08 1.99 -0.29 3.83 1.01 -1.26 -1.04 120.40 123.55 1mla s VAL 228 Ca 0.53 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1mla s VAL 228 Cb -0.47 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1mla s VAL 228 CO 0.63 0.53 0.89 -0.69 0.00 0.00 0.00 175.10 176.46 1mla s VAL 229 N 1.26 4.71 0.55 2.92 1.01 -0.60 -4.13 120.40 126.12 1mla s VAL 229 Ca 0.03 1.46 -0.07 0.00 0.00 0.00 0.00 61.98 63.40 1mla s VAL 229 Cb -0.13 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1mla s VAL 229 CO -0.11 -0.28 0.89 0.54 0.00 0.00 0.00 175.10 176.14 1mla s ASN 230 N 1.55 6.15 0.16 3.32 6.03 -0.08 -4.58 114.94 127.49 1mla s ASN 230 Ca 0.37 1.08 -0.01 0.00 -1.03 0.00 0.00 52.86 53.28 1mla s ASN 230 Cb -0.14 -2.26 -0.00 0.00 -3.03 0.00 0.00 41.25 35.82 1mla s ASN 230 CO 0.12 -0.76 1.38 0.78 -2.03 0.00 0.00 177.10 176.59 1mla h ASN 231 N -0.04 0.40 0.40 3.54 2.35 -1.90 -1.40 115.58 118.92 1mla h ASN 231 Ca -0.46 -0.30 -0.31 0.00 -0.55 0.00 0.00 56.30 54.68 1mla h ASN 231 Cb 1.21 -0.12 0.03 0.00 0.05 0.00 0.00 38.32 39.48 1mla h ASN 231 CO 0.62 1.08 -1.38 1.62 -1.65 0.00 0.00 177.43 177.71 1mla h VAL 232 N 0.19 1.36 -0.00 2.81 3.04 -1.86 -2.07 116.25 119.72 1mla h VAL 232 Ca -0.05 -2.83 0.00 0.00 -1.01 0.00 0.00 66.70 62.81 1mla h VAL 232 Cb 1.45 2.99 0.00 0.00 -2.01 0.00 0.00 31.29 33.73 1mla h VAL 232 CO 0.14 0.84 -0.21 0.47 -1.01 0.00 0.00 177.57 177.80 1mla n ASP 233 N -3.65 0.32 -3.65 3.17 8.00 -1.26 -4.87 116.55 114.61 1mla n ASP 233 Ca -0.14 -0.66 -0.21 0.00 0.71 0.00 0.00 54.79 54.49 1mla n ASP 233 Cb 1.07 0.92 0.05 0.00 -0.02 0.00 0.00 41.12 43.14 1mla n ASP 233 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1mla n VAL 234 N -1.00 -4.51 -4.22 2.53 0.31 -0.53 -5.01 118.33 105.91 1mla n VAL 234 Ca 0.01 -0.42 -0.21 0.00 -0.01 0.00 0.00 64.34 63.71 1mla n VAL 234 Cb 0.08 -4.00 -0.12 0.00 -0.91 0.00 0.00 33.84 28.89 1mla n VAL 234 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1mla s LYS 235 N -5.91 0.95 -0.27 5.55 -0.14 -1.25 -4.83 119.74 113.83 1mla s LYS 235 Ca 0.10 -1.04 -0.12 0.00 -1.36 0.00 0.00 55.97 53.55 1mla s LYS 235 Cb -0.05 -1.06 -0.05 0.00 -1.68 0.00 0.00 37.83 34.99 1mla s LYS 235 CO 0.79 0.24 0.25 0.00 -0.76 0.00 0.00 175.35 175.87 1mla s GLU 237 N 1.71 1.82 -0.01 0.00 0.41 -1.26 -5.01 118.70 116.36 1mla s GLU 237 Ca 0.10 -1.21 0.03 0.00 -0.41 0.00 0.00 54.97 53.48 1mla s GLU 237 Cb -0.15 -2.11 -0.04 0.00 -1.78 0.00 0.00 34.13 30.04 1mla s GLU 237 CO 0.10 0.47 0.04 0.25 -0.49 0.00 0.00 175.26 175.63 1mla n THR 238 N 0.64 0.07 -2.53 3.63 -2.24 -1.26 -4.79 114.28 107.80 1mla n THR 238 Ca -0.15 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 1mla n THR 238 Cb 0.53 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 1mla n THR 238 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1mla s ASN 239 N -2.70 7.23 0.20 3.42 2.47 -1.26 -4.58 114.94 119.72 1mla s ASN 239 Ca -0.01 1.98 -0.10 0.00 0.42 0.00 0.00 52.86 55.15 1mla s ASN 239 Cb 0.01 -2.59 0.26 0.00 -1.45 0.00 0.00 41.25 37.49 1mla s ASN 239 CO 0.12 -0.30 1.75 1.23 -3.72 0.00 0.00 177.10 176.18 1mla h GLY 240 N 5.95 0.83 1.99 1.21 0.00 -1.90 -0.81 103.07 110.33 1mla h GLY 240 Ca -0.43 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1mla h GLY 240 CO 0.76 -0.01 -0.51 -0.55 0.00 0.00 0.00 176.54 176.23 1mla h ASP 241 N 0.41 0.01 -0.34 0.19 3.32 -1.98 -0.45 116.42 117.58 1mla h ASP 241 Ca 0.30 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.19 1mla h ASP 241 Cb 0.35 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1mla h ASP 241 CO -0.29 0.52 -0.37 0.00 -1.72 0.00 0.00 179.24 177.38 1mla h ALA 242 N 1.49 0.50 -0.36 3.45 0.00 -1.66 -1.05 119.26 121.63 1mla h ALA 242 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1mla h ALA 242 Cb 0.90 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1mla h ALA 242 CO 0.07 0.59 -0.13 0.82 0.00 0.00 0.00 179.25 180.60 1mla h ILE 243 N 0.63 1.28 -0.38 0.00 2.04 -1.02 -1.07 117.51 118.99 1mla h ILE 243 Ca 0.05 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.71 1mla h ILE 243 Cb 0.96 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1mla h ILE 243 CO 0.09 0.40 0.21 0.03 0.00 0.00 0.00 178.15 178.88 1mla h ARG 244 N 0.51 0.41 -0.80 2.37 3.08 -0.99 -1.41 114.38 117.55 1mla h ARG 244 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1mla h ARG 244 Cb 0.65 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1mla h ARG 244 CO 0.04 0.27 0.41 0.22 -1.07 0.00 0.00 179.97 179.85 1mla h ASP 245 N 0.42 1.01 0.06 7.04 3.58 -1.04 -1.47 116.42 126.02 1mla h ASP 245 Ca 0.15 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1mla h ASP 245 Cb 0.03 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 1mla h ASP 245 CO -0.09 0.83 -0.25 0.00 -2.88 0.00 0.00 179.24 176.85 1mla h ALA 246 N 1.33 1.24 -0.07 -0.78 0.00 -0.62 -1.08 119.26 119.29 1mla h ALA 246 Ca 0.28 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1mla h ALA 246 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1mla h ALA 246 CO -0.04 0.50 -0.77 -0.07 0.00 0.00 0.00 179.25 178.87 1mla h LEU 247 N 0.29 0.51 0.11 0.00 3.38 -0.51 -0.49 115.31 118.60 1mla h LEU 247 Ca 0.05 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1mla h LEU 247 Cb 0.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1mla h LEU 247 CO 0.04 1.10 -0.05 0.58 0.09 0.00 0.00 178.44 180.20 1mla h VAL 248 N 0.28 1.07 0.00 1.22 2.07 -1.03 -3.13 116.25 116.73 1mla h VAL 248 Ca -0.04 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1mla h VAL 248 Cb 1.35 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1mla h VAL 248 CO 0.13 0.18 -0.25 0.03 0.02 0.00 0.00 177.57 177.68 1mla h ARG 249 N -0.49 0.00 -0.98 1.57 3.08 -1.24 -2.39 114.38 113.93 1mla h ARG 249 Ca -0.01 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.23 1mla h ARG 249 Cb 0.40 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.36 1mla h ARG 249 CO 0.02 0.25 0.61 0.37 -1.07 0.00 0.00 179.97 180.15 1mla h GLN 250 N 0.00 0.64 0.00 0.04 4.15 -1.02 -2.56 115.11 116.36 1mla h GLN 250 Ca -0.00 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 1mla h GLN 250 Cb 0.45 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1mla h GLN 250 CO 0.03 0.42 -0.27 1.25 -1.93 0.00 0.00 178.83 178.34 1mla h LEU 251 N 0.66 0.00 -2.85 -2.39 5.85 -1.47 -3.12 115.31 111.99 1mla h LEU 251 Ca 0.54 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.26 1mla h LEU 251 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1mla h LEU 251 CO -0.31 0.27 -0.16 0.00 -0.34 0.00 0.00 178.44 177.90 1mla n TYR 252 N -3.77 0.00 -4.19 1.25 4.11 -1.00 -1.85 117.16 111.71 1mla n TYR 252 Ca -0.01 -0.89 -0.14 0.00 -0.00 0.00 0.00 57.90 56.86 1mla n TYR 252 Cb 0.36 -0.15 -0.11 0.00 -0.00 0.00 0.00 39.34 39.45 1mla n TYR 252 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 1mla s ASN 253 N -2.61 1.50 0.46 9.48 0.01 -1.03 -3.56 114.94 119.19 1mla s ASN 253 Ca 0.28 -0.89 -0.24 0.00 -0.71 0.00 0.00 52.86 51.30 1mla s ASN 253 Cb 0.25 0.01 -0.08 0.00 0.41 0.00 0.00 41.25 41.84 1mla s ASN 253 CO 0.01 -0.30 1.30 -2.65 -1.51 0.00 0.00 177.10 173.95 1mla n PRO 254 N 0.30 1.89 -2.79 -0.60 -0.02 -1.22 -4.63 135.00 127.93 1mla n PRO 254 Ca -0.14 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1mla n PRO 254 Cb 0.59 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1mla n PRO 254 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mla s VAL 255 N -1.23 4.65 -1.27 -1.45 1.01 0.17 -4.48 120.40 117.81 1mla s VAL 255 Ca 0.64 1.47 -0.07 0.00 0.00 0.00 0.00 61.98 64.02 1mla s VAL 255 Cb -0.47 -4.29 0.17 0.00 0.00 0.00 0.00 36.38 31.79 1mla s VAL 255 CO 0.56 -0.36 2.00 0.00 0.00 0.00 0.00 175.10 177.29 1mla n GLN 256 N 6.53 4.08 -0.04 2.72 1.13 -0.78 -1.70 117.38 129.32 1mla n GLN 256 Ca 0.08 -3.65 -0.16 0.00 -1.94 0.00 0.00 57.00 51.33 1mla n GLN 256 Cb 0.48 -2.77 -0.07 0.00 0.11 0.00 0.00 30.24 27.98 1mla n GLN 256 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 1mla h TRP 257 N 5.29 0.80 -0.38 1.08 2.91 -1.72 -1.93 115.95 122.00 1mla h TRP 257 Ca 0.48 -0.32 0.07 0.00 1.13 0.00 0.00 58.89 60.24 1mla h TRP 257 Cb 0.51 -0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 28.96 1mla h TRP 257 CO 1.34 1.10 -0.03 1.15 -1.03 0.00 0.00 178.44 180.97 1mla h THR 258 N 0.27 0.68 -0.04 2.65 2.02 -1.37 -1.81 112.91 115.30 1mla h THR 258 Ca -0.02 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1mla h THR 258 Cb 1.12 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1mla h THR 258 CO 0.11 0.01 -0.45 0.11 0.37 0.00 0.00 175.52 175.66 1mla h LYS 259 N 0.06 0.10 -0.73 6.66 1.57 -1.84 -1.48 116.57 120.91 1mla h LYS 259 Ca 0.18 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1mla h LYS 259 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1mla h LYS 259 CO -0.34 0.54 0.22 0.77 -0.57 0.00 0.00 179.45 180.07 1mla h SER 260 N 0.09 1.07 -0.04 0.86 0.02 -0.69 -0.55 113.55 114.30 1mla h SER 260 Ca 0.00 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.54 1mla h SER 260 Cb 0.84 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1mla h SER 260 CO 0.06 1.00 -0.71 0.58 -1.14 0.00 0.00 176.83 176.62 1mla h VAL 261 N 1.08 1.31 -0.87 2.27 2.07 -0.92 -1.55 116.25 119.65 1mla h VAL 261 Ca 0.23 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1mla h VAL 261 Cb 0.32 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1mla h VAL 261 CO -0.01 0.62 0.55 -0.33 0.02 0.00 0.00 177.57 178.42 1mla h GLU 262 N 0.48 1.16 -0.57 1.57 5.08 -1.17 -1.95 114.58 119.19 1mla h GLU 262 Ca -0.03 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1mla h GLU 262 Cb 1.31 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1mla h GLU 262 CO 0.14 0.79 0.20 -0.92 -1.00 0.00 0.00 179.01 178.23 1mla h TYR 263 N 1.19 0.89 -0.55 4.33 3.20 -0.84 -1.12 116.97 124.06 1mla h TYR 263 Ca 0.31 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1mla h TYR 263 Cb -0.09 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 1mla h TYR 263 CO -0.01 0.73 0.30 0.52 -1.64 0.00 0.00 178.16 178.06 1mla h MET 264 N 0.78 0.78 -0.83 1.82 2.86 -0.94 -1.99 114.93 117.40 1mla h MET 264 Ca 0.19 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1mla h MET 264 Cb 0.24 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 1mla h MET 264 CO -0.01 0.60 0.42 0.00 1.06 0.00 0.00 176.91 178.99 1mla h ALA 265 N 1.13 1.18 0.00 6.32 0.00 -1.14 -1.71 119.26 125.04 1mla h ALA 265 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1mla h ALA 265 Cb 0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1mla h ALA 265 CO -0.03 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.79 1mla h ALA 266 N 1.29 1.09 -0.00 0.00 0.00 -0.74 -1.03 119.26 119.86 1mla h ALA 266 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1mla h ALA 266 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1mla h ALA 266 CO -0.04 0.09 -0.15 1.04 0.00 0.00 0.00 179.25 180.19 1mla n GLN 267 N -3.30 0.56 0.00 0.00 1.13 -0.71 -4.93 117.38 110.13 1mla n GLN 267 Ca -0.01 -0.21 0.00 0.00 -1.94 0.00 0.00 57.00 54.84 1mla n GLN 267 Cb 0.27 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1mla n GLN 267 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mla n GLY 268 N 1.33 0.69 3.74 1.08 0.00 -0.39 -5.08 105.19 106.56 1mla n GLY 268 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1mla n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mla s VAL 269 N -2.00 3.13 0.00 1.61 1.01 -0.82 -4.15 120.40 119.18 1mla s VAL 269 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1mla s VAL 269 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1mla s VAL 269 CO 0.00 0.14 0.15 -1.84 0.00 0.00 0.00 175.10 173.56 1mla n GLU 270 N 2.55 4.11 -3.85 2.72 0.28 -0.26 -4.34 120.64 121.85 1mla n GLU 270 Ca 0.06 -0.15 -0.12 0.00 -0.16 0.00 0.00 57.16 56.78 1mla n GLU 270 Cb 0.42 -0.63 -0.13 0.00 1.43 0.00 0.00 31.44 32.53 1mla n GLU 270 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1mla s HIS 271 N -0.63 -0.08 -0.13 -1.84 5.04 -1.20 -2.14 115.29 114.31 1mla s HIS 271 Ca 0.00 0.19 0.00 0.00 -1.54 0.00 0.00 55.06 53.71 1mla s HIS 271 Cb 0.00 0.03 -0.01 0.00 0.04 0.00 0.00 32.58 32.63 1mla s HIS 271 CO 0.00 -0.04 -0.14 -0.51 -2.34 0.00 0.00 174.74 171.71 1mla s LEU 272 N 0.03 2.66 -0.18 8.88 1.43 -0.39 -1.64 118.68 129.47 1mla s LEU 272 Ca -0.00 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 1mla s LEU 272 Cb -0.01 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1mla s LEU 272 CO 0.00 0.15 0.09 -0.31 0.23 0.00 0.00 176.35 176.52 1mla s TYR 273 N 0.44 3.34 -0.33 0.29 2.02 -0.45 -1.49 117.35 121.17 1mla s TYR 273 Ca -0.10 0.22 -0.19 0.00 -0.37 0.00 0.00 57.07 56.63 1mla s TYR 273 Cb -0.16 -2.09 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1mla s TYR 273 CO 0.05 0.27 0.54 -2.00 -1.57 0.00 0.00 175.55 172.84 1mla s GLU 274 N 0.20 3.75 -1.00 -0.62 2.12 0.35 -0.73 118.70 122.77 1mla s GLU 274 Ca 0.06 0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.36 1mla s GLU 274 Cb -0.12 -3.77 0.25 0.00 0.26 0.00 0.00 34.13 30.75 1mla s GLU 274 CO -0.00 -0.59 0.94 0.28 -0.54 0.00 0.00 175.26 175.35 1mla n VAL 275 N 5.40 3.73 0.00 3.70 0.31 -0.06 -0.93 118.33 130.46 1mla n VAL 275 Ca -0.04 -5.24 0.00 0.00 -0.01 0.00 0.00 64.34 59.05 1mla n VAL 275 Cb 0.49 -2.47 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 1mla n VAL 275 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mla n GLY 276 N 2.45 -1.03 3.76 2.92 0.00 -1.26 -4.54 105.19 107.48 1mla n GLY 276 Ca 0.23 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1mla n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mla s PRO 277 N -2.00 2.98 0.31 1.61 0.04 -1.26 -4.53 135.00 132.14 1mla s PRO 277 Ca 0.00 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1mla s PRO 277 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1mla s PRO 277 CO 0.00 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1mla n GLY 278 N 0.18 -2.19 1.07 0.56 0.00 -1.26 -4.76 105.19 98.79 1mla n GLY 278 Ca 0.12 -1.49 0.04 0.00 0.00 0.00 0.00 46.02 44.70 1mla n GLY 278 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mla n LYS 279 N -0.89 0.48 0.09 1.61 5.02 -1.26 -4.90 118.16 118.31 1mla n LYS 279 Ca 0.00 -2.25 -0.13 0.00 -2.02 0.00 0.00 58.31 53.91 1mla n LYS 279 Cb 0.03 -0.56 -0.08 0.00 -0.02 0.00 0.00 35.03 34.40 1mla n LYS 279 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1mla h VAL 280 N 5.08 0.95 0.00 -0.18 2.07 -1.98 -2.16 116.25 120.03 1mla h VAL 280 Ca -0.13 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 1mla h VAL 280 Cb 1.56 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1mla h VAL 280 CO 0.06 0.12 -0.39 -0.07 0.02 0.00 0.00 177.57 177.31 1mla h LEU 281 N -0.48 0.00 -0.33 2.57 3.38 -1.95 -2.85 115.31 115.66 1mla h LEU 281 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1mla h LEU 281 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1mla h LEU 281 CO 0.04 0.39 0.17 0.74 0.09 0.00 0.00 178.44 179.87 1mla h THR 282 N 0.00 1.15 -0.21 0.22 2.02 -1.89 -2.92 112.91 111.28 1mla h THR 282 Ca -0.00 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 1mla h THR 282 Cb 0.81 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1mla h THR 282 CO 0.05 0.15 -0.10 1.23 0.37 0.00 0.00 175.52 177.22 1mla h GLY 283 N 0.40 0.36 2.00 2.16 0.00 -1.17 -2.78 103.07 104.05 1mla h GLY 283 Ca 0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1mla h GLY 283 CO -0.02 0.21 -0.49 1.41 0.00 0.00 0.00 176.54 177.65 1mla h LEU 284 N 0.32 0.00 -0.53 3.11 3.38 -1.38 -3.37 115.31 116.84 1mla h LEU 284 Ca 0.07 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1mla h LEU 284 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1mla h LEU 284 CO 0.02 0.49 0.12 0.74 0.09 0.00 0.00 178.44 179.91 1mla h THR 285 N 0.00 0.71 0.00 0.22 2.02 -1.30 -1.59 112.91 112.97 1mla h THR 285 Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1mla h THR 285 Cb 0.98 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1mla h THR 285 CO 0.06 0.05 0.00 0.11 0.37 0.00 0.00 175.52 176.11 1mla h LYS 286 N 0.27 0.00 0.00 6.66 6.56 -1.76 -1.47 116.57 126.83 1mla h LYS 286 Ca 0.27 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1mla h LYS 286 Cb 0.36 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1mla h LYS 286 CO -0.34 0.00 -0.01 0.00 -2.06 0.00 0.00 179.45 177.04 1mla h ARG 287 N 0.00 0.00 0.00 3.15 3.08 -1.51 -2.82 114.38 116.28 1mla h ARG 287 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1mla h ARG 287 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1mla h ARG 287 CO 0.00 0.01 -0.93 0.82 -1.07 0.00 0.00 179.97 178.80 1mla h ILE 288 N 0.00 0.53 -2.83 2.04 2.04 -1.15 -3.40 117.51 114.73 1mla h ILE 288 Ca -0.00 -1.68 -0.39 0.00 1.00 0.00 0.00 64.86 63.79 1mla h ILE 288 Cb 0.94 1.29 -0.39 0.00 -0.74 0.00 0.00 36.82 37.93 1mla h ILE 288 CO 0.00 0.18 -0.69 -0.69 0.00 0.00 0.00 178.15 176.95 1mla s VAL 289 N -2.30 -0.20 -2.03 1.67 1.01 -0.79 -5.00 120.40 112.76 1mla s VAL 289 Ca -0.23 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 61.73 1mla s VAL 289 Cb 0.04 -0.60 0.23 0.00 0.00 0.00 0.00 36.38 36.05 1mla s VAL 289 CO 0.43 -0.22 1.26 -0.90 0.00 0.00 0.00 175.10 175.67 1mla n ASP 290 N 5.30 0.66 0.08 3.32 5.68 -1.06 -1.77 116.55 128.76 1mla n ASP 290 Ca -0.06 -1.86 0.13 0.00 -0.50 0.00 0.00 54.79 52.50 1mla n ASP 290 Cb 0.49 -0.07 0.35 0.00 -1.14 0.00 0.00 41.12 40.75 1mla n ASP 290 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1mla n THR 291 N -0.20 0.43 -3.67 2.12 -1.04 -1.26 -4.85 114.28 105.80 1mla n THR 291 Ca 0.07 -0.24 -0.33 0.00 -2.04 0.00 0.00 64.05 61.51 1mla n THR 291 Cb 0.12 -0.40 -0.05 0.00 -1.82 0.00 0.00 70.33 68.18 1mla n THR 291 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1mla s LEU 292 N -4.20 4.32 0.32 -4.42 1.43 -0.73 -4.98 118.68 110.42 1mla s LEU 292 Ca 0.10 0.63 0.08 0.00 -1.03 0.00 0.00 54.13 53.91 1mla s LEU 292 Cb 0.14 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1mla s LEU 292 CO 0.63 0.14 0.12 0.42 0.23 0.00 0.00 176.35 177.90 1mla s THR 293 N -1.48 3.18 0.01 5.49 -4.23 -0.91 -4.71 115.64 112.99 1mla s THR 293 Ca 0.35 -1.71 -0.19 0.00 -1.18 0.00 0.00 61.69 58.96 1mla s THR 293 Cb -0.13 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.77 1mla s THR 293 CO 0.21 -0.22 0.43 0.00 -0.54 0.00 0.00 174.62 174.49 1mla s ALA 294 N -2.39 -1.08 0.13 3.99 0.00 -1.26 -1.27 121.76 119.89 1mla s ALA 294 Ca 0.36 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 1mla s ALA 294 Cb -0.03 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1mla s ALA 294 CO 0.22 -0.39 0.43 -1.54 0.00 0.00 0.00 175.76 174.48 1mla s SER 295 N -1.68 -0.26 -0.12 0.00 1.04 -0.55 -4.93 113.70 107.19 1mla s SER 295 Ca -0.09 -0.31 -0.06 0.00 0.48 0.00 0.00 55.95 55.97 1mla s SER 295 Cb -0.02 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1mla s SER 295 CO 0.02 -0.88 0.11 0.00 0.98 0.00 0.00 173.24 173.46 1mla s ALA 296 N -3.81 3.72 -0.74 5.32 0.00 -1.26 -0.50 121.76 124.49 1mla s ALA 296 Ca 0.03 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1mla s ALA 296 Cb 0.01 -1.88 0.39 0.00 0.00 0.00 0.00 23.12 21.64 1mla s ALA 296 CO -0.11 0.55 2.05 1.28 0.00 0.00 0.00 175.76 179.53 1mla n LEU 297 N 2.23 7.58 -0.32 0.00 4.77 -0.11 -4.61 117.00 126.54 1mla n LEU 297 Ca -0.19 -4.51 0.03 0.00 -0.03 0.00 0.00 56.01 51.30 1mla n LEU 297 Cb 0.54 -1.03 0.08 0.00 -2.33 0.00 0.00 43.42 40.68 1mla n LEU 297 CO 0.31 1.60 0.56 -0.46 -1.33 0.00 0.00 177.39 178.08 1mla n ASN 298 N -0.68 2.45 -4.28 -1.43 2.04 -1.26 -4.73 115.26 107.36 1mla n ASN 298 Ca 0.58 -1.99 -0.28 0.00 -0.44 0.00 0.00 54.58 52.45 1mla n ASN 298 Cb 0.46 -0.11 -0.15 0.00 -2.53 0.00 0.00 39.78 37.45 1mla n ASN 298 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1mla s GLU 299 N -0.99 1.68 0.37 -3.83 2.02 -1.26 -4.65 118.70 112.03 1mla s GLU 299 Ca 0.12 -0.94 0.08 0.00 0.02 0.00 0.00 54.97 54.24 1mla s GLU 299 Cb 0.06 -1.75 0.80 0.00 0.10 0.00 0.00 34.13 33.34 1mla s GLU 299 CO 0.08 0.46 1.93 -1.00 0.02 0.00 0.00 175.26 176.75 1mla h PRO 300 N 5.11 0.68 -0.63 0.39 0.13 -1.91 -1.20 132.00 134.55 1mla h PRO 300 Ca -0.43 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1mla h PRO 300 Cb 1.14 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 1mla h PRO 300 CO 0.45 0.45 0.42 0.77 -0.23 0.00 0.00 178.00 179.85 1mla h SER 301 N 0.70 0.72 -0.17 1.44 0.02 -1.98 0.75 113.55 115.02 1mla h SER 301 Ca 0.36 -0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 61.10 1mla h SER 301 Cb 0.46 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1mla h SER 301 CO -0.13 0.52 -0.62 0.00 -1.14 0.00 0.00 176.83 175.45 1mla h ALA 302 N 1.24 0.47 -0.28 3.77 0.00 -1.71 -0.11 119.26 122.64 1mla h ALA 302 Ca 0.23 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1mla h ALA 302 Cb -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1mla h ALA 302 CO -0.06 0.69 0.09 1.98 0.00 0.00 0.00 179.25 181.95 1mla h MET 303 N 0.58 0.43 -0.44 0.00 -1.53 -0.93 -0.42 114.93 112.63 1mla h MET 303 Ca -0.01 -0.09 -0.03 0.00 -3.44 0.00 0.00 59.70 56.12 1mla h MET 303 Cb 1.22 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 32.19 1mla h MET 303 CO 0.13 0.49 0.14 0.00 0.14 0.00 0.00 176.91 177.81 1mla h ALA 304 N 0.92 0.57 -0.27 0.39 0.00 -0.76 -2.16 119.26 117.95 1mla h ALA 304 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1mla h ALA 304 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1mla h ALA 304 CO -0.00 0.22 0.17 0.00 0.00 0.00 0.00 179.25 179.64 1mla h ALA 305 N 0.99 1.79 0.00 0.00 0.00 -0.88 -2.68 119.26 118.48 1mla h ALA 305 Ca 0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1mla h ALA 305 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1mla h ALA 305 CO -0.00 0.19 -0.44 0.00 0.00 0.00 0.00 179.25 179.00 1mla h ALA 306 N 1.82 0.75 -0.00 0.00 0.00 -0.49 -3.51 119.26 117.83 1mla h ALA 306 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1mla h ALA 306 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1mla h ALA 306 CO -0.02 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.05