#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s PHE 6 N 0.00 2.89 0.31 -0.72 0.08 -1.26 -5.00 117.98 114.28 3mka s PHE 6 Ca 0.00 1.35 0.05 0.00 0.12 0.00 0.00 56.93 58.45 3mka s PHE 6 Cb 0.00 -3.77 -0.06 0.00 -0.57 0.00 0.00 43.02 38.62 3mka s PHE 6 CO 0.00 -2.19 0.01 0.96 -0.10 0.00 0.00 175.22 173.90 3mka s ILE 7 N -1.15 1.38 0.41 0.64 -4.36 -1.26 -5.13 121.20 111.73 3mka s ILE 7 Ca 0.51 -2.04 -0.25 0.00 -0.26 0.00 0.00 60.65 58.60 3mka s ILE 7 Cb -0.41 -2.65 -0.08 0.00 1.25 0.00 0.00 42.46 40.56 3mka s ILE 7 CO 0.55 -0.13 1.24 -0.94 0.24 0.00 0.00 174.94 175.90 3mka s SER 8 N -3.47 6.38 0.24 4.36 1.04 -1.26 -4.81 113.70 116.18 3mka s SER 8 Ca 0.33 2.50 -0.07 0.00 0.48 0.00 0.00 55.95 59.20 3mka s SER 8 Cb 0.07 -2.63 0.24 0.00 0.10 0.00 0.00 66.02 63.80 3mka s SER 8 CO 0.14 -0.79 1.91 -0.65 0.98 0.00 0.00 173.24 174.83 3mka h PRO 9 N 2.61 1.28 -0.74 4.02 0.11 -2.00 1.12 132.00 138.41 3mka h PRO 9 Ca -0.49 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.49 3mka h PRO 9 Cb 1.24 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 3mka h PRO 9 CO 0.62 0.86 0.30 1.49 -0.21 0.00 0.00 178.00 181.07 3mka h GLU 10 N 1.32 1.10 -0.73 1.05 4.81 -2.00 -2.27 114.58 117.85 3mka h GLU 10 Ca 0.35 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3mka h GLU 10 Cb -0.12 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.04 3mka h GLU 10 CO -0.07 0.89 0.28 0.37 -0.73 0.00 0.00 179.01 179.74 3mka h GLN 11 N 1.08 1.10 -0.65 1.92 5.75 -0.09 -2.35 115.11 121.87 3mka h GLN 11 Ca 0.25 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3mka h GLN 11 Cb 0.19 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 3mka h GLN 11 CO -0.02 0.91 0.40 0.00 -2.65 0.00 0.00 178.83 177.47 3mka h ALA 12 N 1.14 0.82 -0.60 3.38 0.00 0.15 0.83 119.26 124.97 3mka h ALA 12 Ca 0.24 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3mka h ALA 12 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3mka h ALA 12 CO -0.02 0.28 0.23 0.52 0.00 0.00 0.00 179.25 180.26 3mka h MET 13 N 0.88 0.91 -0.48 0.00 2.86 -1.20 1.58 114.93 119.47 3mka h MET 13 Ca 0.23 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3mka h MET 13 Cb -0.05 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3mka h MET 13 CO -0.05 0.79 0.15 -0.09 1.06 0.00 0.00 176.91 178.77 3mka h ARG 14 N 0.84 0.75 -0.31 1.72 2.43 -0.88 0.90 114.38 119.83 3mka h ARG 14 Ca 0.20 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3mka h ARG 14 Cb 0.23 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3mka h ARG 14 CO -0.01 0.71 0.13 0.93 -1.51 0.00 0.00 179.97 180.21 3mka h GLU 15 N 0.64 0.46 -0.59 0.20 4.39 -0.31 -0.70 114.58 118.67 3mka h GLU 15 Ca 0.15 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 3mka h GLU 15 Cb 0.27 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3mka h GLU 15 CO -0.00 0.46 0.27 -0.09 -1.16 0.00 0.00 179.01 178.48 3mka h ARG 16 N 0.35 0.85 -0.37 2.33 2.43 0.28 -0.74 114.38 119.51 3mka h ARG 16 Ca 0.10 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3mka h ARG 16 Cb 0.17 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3mka h ARG 16 CO -0.01 0.70 -0.06 1.03 -1.51 0.00 0.00 179.97 180.13 3mka h SER 17 N 0.80 0.59 0.04 -3.80 0.87 0.95 -3.07 113.55 109.93 3mka h SER 17 Ca 0.20 -0.14 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 3mka h SER 17 Cb 0.14 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3mka h SER 17 CO -0.02 0.70 -0.65 -0.33 -0.53 0.00 0.00 176.83 176.00 3mka h GLU 18 N 0.57 0.37 -1.00 2.24 4.39 -0.25 -0.97 114.58 119.93 3mka h GLU 18 Ca 0.11 -0.45 0.23 0.00 0.34 0.00 0.00 59.36 59.59 3mka h GLU 18 Cb 0.45 0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 29.14 3mka h GLU 18 CO 0.02 1.14 0.63 1.25 -1.16 0.00 0.00 179.01 180.89 3mka h LEU 19 N -0.20 0.61 0.42 1.33 6.46 -1.20 0.58 115.31 123.31 3mka h LEU 19 Ca -0.09 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 3mka h LEU 19 Cb 1.40 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.33 3mka h LEU 19 CO 0.13 0.17 -0.20 0.00 -0.62 0.00 0.00 178.44 177.91 3mka h ALA 20 N 1.65 -0.73 -1.00 1.25 0.00 -1.43 -2.31 119.26 116.70 3mka h ALA 20 Ca 0.58 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.55 3mka h ALA 20 Cb 1.19 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 3mka h ALA 20 CO -0.35 -0.69 0.62 -0.09 0.00 0.00 0.00 179.25 178.74 3mka h ARG 21 N -0.87 0.76 -0.56 0.00 2.43 -0.44 -1.24 114.38 114.47 3mka h ARG 21 Ca -0.06 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3mka h ARG 21 Cb 0.43 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3mka h ARG 21 CO 0.09 0.51 0.25 -0.22 -1.51 0.00 0.00 179.97 179.09 3mka h LYS 22 N 0.79 0.82 -0.78 0.20 3.64 0.14 -2.41 116.57 118.97 3mka h LYS 22 Ca 0.57 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.76 3mka h LYS 22 Cb 0.86 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3mka h LYS 22 CO -0.36 0.68 0.28 0.78 -2.27 0.00 0.00 179.45 178.56 3mka h GLY 23 N 0.76 1.27 1.06 5.01 0.00 -0.64 -2.95 103.07 107.57 3mka h GLY 23 Ca 0.19 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 3mka h GLY 23 CO -0.02 0.67 0.19 -2.22 0.00 0.00 0.00 176.54 175.17 3mka h ILE 24 N 1.14 1.26 -0.82 2.60 2.04 -1.21 -3.08 117.51 119.44 3mka h ILE 24 Ca 0.26 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 3mka h ILE 24 Cb 0.26 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3mka h ILE 24 CO -0.02 0.37 0.37 0.00 0.00 0.00 0.00 178.15 178.87 3mka h ALA 25 N 1.10 1.07 0.00 1.87 0.00 -1.27 -1.01 119.26 121.01 3mka h ALA 25 Ca 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3mka h ALA 25 Cb 0.35 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mka h ALA 25 CO -0.00 0.66 -0.10 -0.09 0.00 0.00 0.00 179.25 179.72 3mka h ARG 26 N 1.19 0.00 -7.36 0.00 2.43 -1.45 -3.11 114.38 106.07 3mka h ARG 26 Ca 0.28 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.95 3mka h ARG 26 Cb 0.16 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 29.83 3mka h ARG 26 CO -0.03 0.10 0.33 0.00 -1.51 0.00 0.00 179.97 178.86 3mka s ALA 27 N -4.18 2.30 0.91 2.80 0.00 -0.59 -4.85 121.76 118.15 3mka s ALA 27 Ca -0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 3mka s ALA 27 Cb 0.13 -3.16 0.14 0.00 0.00 0.00 0.00 23.12 20.22 3mka s ALA 27 CO 0.57 -1.65 1.09 0.15 0.00 0.00 0.00 175.76 175.93 3mka s LYS 28 N -5.06 1.15 0.20 0.00 1.02 -1.26 -1.16 119.74 114.63 3mka s LYS 28 Ca 0.60 1.03 0.08 0.00 0.02 0.00 0.00 55.97 57.70 3mka s LYS 28 Cb -0.15 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 3mka s LYS 28 CO 0.55 -2.37 -0.01 -1.12 -0.92 0.00 0.00 175.35 171.48 3mka s SER 29 N -3.17 4.67 0.01 2.83 0.01 -1.26 -3.75 113.70 113.04 3mka s SER 29 Ca 0.64 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.43 3mka s SER 29 Cb -0.20 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.08 3mka s SER 29 CO 0.58 0.07 -0.02 -0.69 0.41 0.00 0.00 173.24 173.58 3mka s VAL 30 N -1.88 0.14 0.04 3.43 1.01 0.89 -1.43 120.40 122.60 3mka s VAL 30 Ca 0.28 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3mka s VAL 30 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 3mka s VAL 30 CO 0.19 -0.16 -0.13 0.68 0.00 0.00 0.00 175.10 175.68 3mka s VAL 31 N -0.55 1.03 -0.05 2.92 -7.23 0.15 -1.13 120.40 115.54 3mka s VAL 31 Ca -0.05 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 3mka s VAL 31 Cb -0.04 -0.95 0.02 0.00 0.56 0.00 0.00 36.38 35.97 3mka s VAL 31 CO -0.00 -0.06 -0.04 0.00 -0.31 0.00 0.00 175.10 174.68 3mka s ALA 32 N -0.93 0.69 -0.00 1.32 0.00 -0.00 -0.89 121.76 121.94 3mka s ALA 32 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 3mka s ALA 32 Cb -0.08 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 3mka s ALA 32 CO 0.01 -0.08 0.03 -0.48 0.00 0.00 0.00 175.76 175.25 3mka s LEU 33 N 1.05 1.93 0.49 0.00 0.05 -0.74 0.36 118.68 121.82 3mka s LEU 33 Ca -0.09 -0.14 -0.21 0.00 0.05 0.00 0.00 54.13 53.75 3mka s LEU 33 Cb -0.14 0.20 -0.08 0.00 -2.05 0.00 0.00 46.19 44.12 3mka s LEU 33 CO -0.01 -0.15 1.09 0.00 -0.55 0.00 0.00 176.35 176.73 3mka s ALA 34 N -0.63 2.85 0.28 1.48 0.00 0.13 -1.29 121.76 124.58 3mka s ALA 34 Ca -0.07 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 3mka s ALA 34 Cb -0.04 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3mka s ALA 34 CO -0.00 -0.50 0.62 1.52 0.00 0.00 0.00 175.76 177.40 3mka s TYR 35 N -1.82 0.11 0.30 0.00 -0.85 0.43 -4.68 117.35 110.84 3mka s TYR 35 Ca 0.68 -0.54 -0.00 0.00 -0.52 0.00 0.00 57.07 56.69 3mka s TYR 35 Cb -0.21 0.47 0.50 0.00 0.38 0.00 0.00 41.96 43.10 3mka s TYR 35 CO 0.25 -1.16 1.94 0.00 -1.52 0.00 0.00 175.55 175.06 3mka h ALA 36 N 2.11 1.47 0.00 9.51 0.00 -1.73 0.58 119.26 131.20 3mka h ALA 36 Ca -0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3mka h ALA 36 Cb 1.25 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3mka h ALA 36 CO 0.30 0.44 -0.10 0.78 0.00 0.00 0.00 179.25 180.67 3mka h GLY 37 N 1.06 0.00 0.00 0.00 0.00 -1.93 -3.48 103.07 98.71 3mka h GLY 37 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3mka h GLY 37 CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.05 3mka n GLY 38 N -0.77 0.92 3.26 4.60 0.00 0.20 -2.71 105.19 110.69 3mka n GLY 38 Ca -0.02 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 3mka n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mka s VAL 39 N 0.00 2.13 -0.07 1.61 1.01 -1.10 0.16 120.40 124.14 3mka s VAL 39 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3mka s VAL 39 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3mka s VAL 39 CO 0.00 0.56 -0.09 -0.22 0.00 0.00 0.00 175.10 175.35 3mka s LEU 40 N 0.06 3.03 -0.17 3.92 2.96 -0.41 -1.16 118.68 126.92 3mka s LEU 40 Ca -0.10 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3mka s LEU 40 Cb -0.16 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.90 3mka s LEU 40 CO 0.06 0.35 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.89 3mka s PHE 41 N -0.74 2.65 -0.06 5.38 0.08 0.39 -1.80 117.98 123.89 3mka s PHE 41 Ca 0.11 -1.55 0.01 0.00 0.12 0.00 0.00 56.93 55.62 3mka s PHE 41 Cb -0.11 -1.85 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3mka s PHE 41 CO 0.01 -0.77 -0.07 0.08 -0.10 0.00 0.00 175.22 174.37 3mka s VAL 42 N 1.31 0.79 0.01 -0.44 1.01 -0.07 -2.02 120.40 120.99 3mka s VAL 42 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3mka s VAL 42 Cb -0.13 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 3mka s VAL 42 CO -0.12 0.29 -0.03 0.00 0.00 0.00 0.00 175.10 175.24 3mka s ALA 43 N 1.00 0.21 -0.19 5.51 0.00 -0.66 0.32 121.76 127.94 3mka s ALA 43 Ca -0.09 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 3mka s ALA 43 Cb -0.14 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 3mka s ALA 43 CO -0.00 -0.02 1.12 -1.83 0.00 0.00 0.00 175.76 175.03 3mka s GLU 44 N -0.65 4.26 -0.25 0.00 -1.05 -0.51 -0.99 118.70 119.50 3mka s GLU 44 Ca -0.05 1.48 -0.02 0.00 -0.15 0.00 0.00 54.97 56.23 3mka s GLU 44 Cb -0.05 -3.67 0.13 0.00 -0.44 0.00 0.00 34.13 30.11 3mka s GLU 44 CO -0.00 -0.63 0.36 1.21 0.95 0.00 0.00 175.26 177.14 3mka s ASN 45 N 1.47 0.59 0.21 0.83 3.84 1.13 -4.48 114.94 118.53 3mka s ASN 45 Ca 0.48 -0.09 -0.07 0.00 0.21 0.00 0.00 52.86 53.40 3mka s ASN 45 Cb -0.18 0.95 0.17 0.00 -0.55 0.00 0.00 41.25 41.64 3mka s ASN 45 CO 0.10 -0.33 1.71 1.55 -2.79 0.00 0.00 177.10 177.34 3mka h PRO 46 N 8.20 1.03 -7.03 0.43 0.13 -1.64 -3.31 132.00 129.81 3mka h PRO 46 Ca -0.16 -0.28 -0.54 0.00 -0.87 0.00 0.00 66.00 64.15 3mka h PRO 46 Cb 1.14 -0.12 0.12 0.00 0.13 0.00 0.00 31.00 32.27 3mka h PRO 46 CO 0.28 0.96 0.58 0.45 -0.23 0.00 0.00 178.00 180.04 3mka s SER 47 N -6.55 5.52 0.00 1.44 0.15 -1.26 -4.54 113.70 108.46 3mka s SER 47 Ca -0.11 2.65 0.19 0.00 0.70 0.00 0.00 55.95 59.38 3mka s SER 47 Cb 0.14 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 3mka s SER 47 CO 0.84 -1.39 0.94 -1.14 1.20 0.00 0.00 173.24 173.69 3mka n ARG 48 N -0.87 1.41 0.00 5.44 0.63 -1.26 -4.56 116.66 117.45 3mka n ARG 48 Ca 0.09 -0.80 0.00 0.00 -0.92 0.00 0.00 57.85 56.22 3mka n ARG 48 Cb 0.46 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 32.00 3mka n ARG 48 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3mka n SER 49 N -0.23 2.82 -4.34 6.15 7.64 -1.26 -5.00 113.62 119.40 3mka n SER 49 Ca 0.07 -0.20 -0.39 0.00 1.01 0.00 0.00 58.87 59.36 3mka n SER 49 Cb 0.39 0.97 -0.12 0.00 -1.01 0.00 0.00 64.21 64.44 3mka n SER 49 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mka s LEU 50 N -2.51 4.54 0.55 -3.43 1.43 -1.26 -5.09 118.68 112.91 3mka s LEU 50 Ca 0.00 -1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 51.91 3mka s LEU 50 Cb 0.00 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 3mka s LEU 50 CO 0.00 -0.36 1.01 0.00 0.23 0.00 0.00 176.35 177.23 3mka s GLN 51 N 1.49 3.76 0.00 1.70 -2.07 -1.26 -4.86 119.66 118.43 3mka s GLN 51 Ca 0.01 0.95 0.00 0.00 -1.82 0.00 0.00 55.36 54.50 3mka s GLN 51 Cb -0.19 -2.11 0.00 0.00 -1.09 0.00 0.00 33.01 29.62 3mka s GLN 51 CO 0.05 -0.43 0.01 1.63 -1.32 0.00 0.00 175.29 175.23 3mka n LYS 52 N -1.91 2.52 -4.67 9.60 5.02 -1.26 -5.01 118.16 122.45 3mka n LYS 52 Ca 0.07 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.07 3mka n LYS 52 Cb 0.54 -0.22 -0.17 0.00 -0.02 0.00 0.00 35.03 35.16 3mka n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mka s ILE 53 N -0.36 1.43 0.16 -0.18 1.01 -1.26 -1.08 121.20 120.92 3mka s ILE 53 Ca 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 3mka s ILE 53 Cb 0.00 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3mka s ILE 53 CO 0.00 0.42 0.24 -0.44 0.00 0.00 0.00 174.94 175.17 3mka s SER 54 N 0.71 0.09 0.07 3.58 0.01 0.91 -5.01 113.70 114.06 3mka s SER 54 Ca -0.13 -0.96 -0.24 0.00 1.31 0.00 0.00 55.95 55.93 3mka s SER 54 Cb -0.16 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.42 3mka s SER 54 CO 0.03 -0.87 0.74 -0.70 0.41 0.00 0.00 173.24 172.85 3mka s GLU 55 N -3.99 4.47 -0.24 12.44 2.12 -1.26 -0.67 118.70 131.57 3mka s GLU 55 Ca 0.20 1.03 -0.13 0.00 0.36 0.00 0.00 54.97 56.43 3mka s GLU 55 Cb 0.04 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 31.00 3mka s GLU 55 CO 0.01 0.38 -0.32 1.28 -0.54 0.00 0.00 175.26 176.07 3mka n LEU 56 N 2.46 1.75 0.00 2.70 4.77 -0.21 -4.86 117.00 123.60 3mka n LEU 56 Ca -0.04 0.30 -0.06 0.00 -0.03 0.00 0.00 56.01 56.18 3mka n LEU 56 Cb 0.50 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3mka n LEU 56 CO 0.46 0.42 0.05 0.00 -1.33 0.00 0.00 177.39 177.00 3mka n TYR 57 N -4.14 -0.78 -0.32 -1.77 9.36 -0.93 -4.73 117.16 113.85 3mka n TYR 57 Ca -0.45 -1.00 -0.09 0.00 3.32 0.00 0.00 57.90 59.68 3mka n TYR 57 Cb 0.80 0.21 -0.08 0.00 -0.63 0.00 0.00 39.34 39.64 3mka n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3mka h ASP 58 N 0.82 -1.78 -0.20 2.98 3.32 -1.95 -2.68 116.42 116.92 3mka h ASP 58 Ca -0.11 0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3mka h ASP 58 Cb 0.49 0.78 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 3mka h ASP 58 CO 0.15 -0.21 -0.02 0.54 -1.72 0.00 0.00 179.24 177.98 3mka n ARG 59 N -4.88 2.33 -4.64 3.56 5.12 -1.26 -1.04 116.66 115.85 3mka n ARG 59 Ca 0.01 -2.84 -0.30 0.00 -1.93 0.00 0.00 57.85 52.80 3mka n ARG 59 Cb 0.22 -1.75 -0.17 0.00 -1.16 0.00 0.00 32.46 29.61 3mka n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3mka s VAL 60 N -2.91 1.69 0.27 1.55 1.01 -1.01 -1.98 120.40 119.01 3mka s VAL 60 Ca 0.40 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.71 3mka s VAL 60 Cb 0.34 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3mka s VAL 60 CO 0.06 0.48 -0.01 -0.83 0.00 0.00 0.00 175.10 174.80 3mka s GLY 61 N 0.82 1.70 -0.02 4.51 0.00 0.12 -1.05 107.32 113.40 3mka s GLY 61 Ca -0.09 -1.69 0.02 0.00 0.00 0.00 0.00 44.72 42.96 3mka s GLY 61 CO 0.00 -1.74 -0.07 -0.12 0.00 0.00 0.00 173.10 171.17 3mka s PHE 62 N -2.35 0.71 -0.03 1.90 5.36 0.15 -1.07 117.98 122.66 3mka s PHE 62 Ca 0.32 -0.16 -0.03 0.00 -0.96 0.00 0.00 56.93 56.11 3mka s PHE 62 Cb -0.06 -0.51 0.01 0.00 -0.34 0.00 0.00 43.02 42.12 3mka s PHE 62 CO 0.20 -0.07 0.08 0.00 -1.46 0.00 0.00 175.22 173.97 3mka s ALA 63 N 0.16 -0.18 0.11 11.12 0.00 -0.55 -0.06 121.76 132.36 3mka s ALA 63 Ca -0.02 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 3mka s ALA 63 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3mka s ALA 63 CO -0.00 -0.04 0.14 0.00 0.00 0.00 0.00 175.76 175.86 3mka s ALA 64 N 0.12 0.26 0.00 0.00 0.00 -0.24 -0.15 121.76 121.76 3mka s ALA 64 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3mka s ALA 64 Cb -0.01 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.76 3mka s ALA 64 CO -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 175.76 175.23 3mka s ALA 65 N -3.95 0.04 0.00 0.00 0.00 -0.66 -4.85 121.76 112.33 3mka s ALA 65 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3mka s ALA 65 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3mka s ALA 65 CO -0.04 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3mka n GLY 66 N 2.85 0.66 3.68 0.00 0.00 -1.26 -0.78 105.19 110.33 3mka n GLY 66 Ca -0.14 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 3mka n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mka s LYS 67 N -1.54 4.30 0.08 1.61 2.20 -0.27 -4.90 119.74 121.22 3mka s LYS 67 Ca 0.00 1.72 -0.34 0.00 -0.36 0.00 0.00 55.97 56.99 3mka s LYS 67 Cb 0.00 -3.64 -0.17 0.00 -1.51 0.00 0.00 37.83 32.51 3mka s LYS 67 CO 0.00 -0.56 1.53 0.35 -0.36 0.00 0.00 175.35 176.31 3mka h PHE 68 N 7.81 -1.32 -1.06 4.03 3.57 -1.96 -1.98 116.94 126.03 3mka h PHE 68 Ca -0.32 0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.47 3mka h PHE 68 Cb 1.14 0.50 -0.07 0.00 2.79 0.00 0.00 35.95 40.32 3mka h PHE 68 CO 0.76 -0.66 0.73 -2.95 -2.23 0.00 0.00 178.31 173.96 3mka h ASN 69 N -1.01 0.21 0.70 0.41 7.08 -1.99 0.32 115.58 121.29 3mka h ASN 69 Ca -0.07 0.04 -0.22 0.00 -3.08 0.00 0.00 56.30 52.97 3mka h ASN 69 Cb 0.86 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.09 3mka h ASN 69 CO -0.02 0.04 -0.98 -0.33 -2.08 0.00 0.00 177.43 174.07 3mka h GLU 70 N 0.19 0.16 0.00 4.14 5.08 -1.87 -2.84 114.58 119.43 3mka h GLU 70 Ca 0.55 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3mka h GLU 70 Cb 1.79 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.11 3mka h GLU 70 CO -0.14 1.01 -1.00 1.97 -1.00 0.00 0.00 179.01 179.85 3mka n PHE 71 N -3.56 0.21 -0.08 4.33 1.16 0.12 -3.08 117.46 116.56 3mka n PHE 71 Ca -0.04 0.06 -0.14 0.00 -1.87 0.00 0.00 57.45 55.46 3mka n PHE 71 Cb 0.88 -0.38 -0.05 0.00 -1.61 0.00 0.00 39.48 38.33 3mka n PHE 71 CO 0.00 0.00 0.00 0.22 -1.87 0.00 0.00 176.76 175.11 3mka h ASP 72 N 0.00 0.81 -0.61 5.98 3.58 -0.56 -1.54 116.42 124.08 3mka h ASP 72 Ca 0.00 -0.51 0.12 0.00 0.42 0.00 0.00 57.03 57.07 3mka h ASP 72 Cb 0.69 -0.23 -0.10 0.00 1.72 0.00 0.00 39.33 41.42 3mka h ASP 72 CO 0.00 1.16 0.07 -1.13 -2.88 0.00 0.00 179.24 176.46 3mka h ASN 73 N 0.48 -0.12 0.77 2.28 -0.73 -1.54 -0.01 115.58 116.71 3mka h ASN 73 Ca 0.03 0.13 -0.10 0.00 1.87 0.00 0.00 56.30 58.23 3mka h ASN 73 Cb 0.97 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.76 3mka h ASN 73 CO 0.09 -0.05 -0.47 -0.07 -0.37 0.00 0.00 177.43 176.55 3mka h LEU 74 N 0.19 0.00 -0.20 0.34 4.07 -1.45 -2.34 115.31 115.92 3mka h LEU 74 Ca 0.32 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.17 3mka h LEU 74 Cb 0.51 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 3mka h LEU 74 CO -0.46 0.47 -0.34 -0.09 -1.08 0.00 0.00 178.44 176.94 3mka h ARG 75 N 0.00 0.58 0.13 1.13 2.43 -0.16 -1.67 114.38 116.82 3mka h ARG 75 Ca -0.00 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3mka h ARG 75 Cb 0.98 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3mka h ARG 75 CO 0.06 0.97 -0.10 0.00 -1.51 0.00 0.00 179.97 179.39 3mka h ARG 76 N 0.25 -0.22 0.00 0.20 3.08 -0.92 -1.28 114.38 115.48 3mka h ARG 76 Ca 0.01 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3mka h ARG 76 Cb 0.93 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 3mka h ARG 76 CO 0.08 -0.15 -0.07 0.78 -1.07 0.00 0.00 179.97 179.53 3mka h GLY 77 N -0.23 0.00 1.59 0.04 0.00 -1.43 -0.61 103.07 102.43 3mka h GLY 77 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3mka h GLY 77 CO -0.01 0.00 -0.92 -1.33 0.00 0.00 0.00 176.54 174.28 3mka h GLY 78 N 0.64 0.41 1.19 4.60 0.00 -0.55 -1.70 103.07 107.66 3mka h GLY 78 Ca -0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.51 3mka h GLY 78 CO 0.01 0.63 -0.08 -2.22 0.00 0.00 0.00 176.54 174.88 3mka h ILE 79 N 0.21 1.26 -0.49 2.60 2.04 -0.13 0.48 117.51 123.48 3mka h ILE 79 Ca -0.07 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 3mka h ILE 79 Cb 1.56 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 3mka h ILE 79 CO 0.16 0.42 0.12 1.56 0.00 0.00 0.00 178.15 180.41 3mka h GLN 80 N 0.86 0.78 -0.24 2.37 4.20 -1.03 -1.24 115.11 120.81 3mka h GLN 80 Ca 0.14 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3mka h GLN 80 Cb 0.61 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3mka h GLN 80 CO 0.04 0.75 0.06 0.35 -0.67 0.00 0.00 178.83 179.37 3mka h PHE 81 N 0.66 0.39 -0.34 2.96 3.57 -1.05 -2.01 116.94 121.13 3mka h PHE 81 Ca 0.15 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3mka h PHE 81 Cb 0.32 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3mka h PHE 81 CO 0.02 0.46 0.10 0.00 -2.23 0.00 0.00 178.31 176.66 3mka h ALA 82 N 0.88 0.44 -0.50 2.41 0.00 -0.72 -1.95 119.26 119.83 3mka h ALA 82 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 82 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3mka h ALA 82 CO -0.00 0.09 0.33 -0.44 0.00 0.00 0.00 179.25 179.22 3mka h ASP 83 N 0.39 0.58 -0.87 0.00 3.32 -1.23 -0.82 116.42 117.79 3mka h ASP 83 Ca 0.11 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3mka h ASP 83 Cb 0.26 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3mka h ASP 83 CO -0.00 0.44 0.51 0.74 -1.72 0.00 0.00 179.24 179.21 3mka h THR 84 N 0.68 1.25 -0.00 0.35 2.02 -1.21 -1.75 112.91 114.24 3mka h THR 84 Ca 0.18 -0.56 -0.23 0.00 0.77 0.00 0.00 66.41 66.58 3mka h THR 84 Cb -0.06 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.39 3mka h THR 84 CO -0.04 0.26 -0.95 0.03 0.37 0.00 0.00 175.52 175.19 3mka h ARG 85 N 1.21 0.46 0.00 6.66 2.47 -1.12 -1.15 114.38 122.90 3mka h ARG 85 Ca 0.31 -0.49 -0.02 0.00 -1.26 0.00 0.00 59.98 58.52 3mka h ARG 85 Cb -0.03 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3mka h ARG 85 CO -0.06 1.14 -0.10 0.78 0.56 0.00 0.00 179.97 182.29 3mka h GLY 86 N 1.11 0.00 0.36 0.04 0.00 -0.93 -1.38 103.07 102.27 3mka h GLY 86 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 3mka h GLY 86 CO 0.17 0.00 -1.13 -1.82 0.00 0.00 0.00 176.54 173.76 3mka h TYR 87 N 0.00 0.28 0.00 5.60 3.20 -1.08 -3.14 116.97 121.83 3mka h TYR 87 Ca -0.00 -0.21 -0.02 0.00 3.14 0.00 0.00 58.73 61.64 3mka h TYR 87 Cb 0.44 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 3mka h TYR 87 CO 0.00 1.44 -0.09 0.00 -1.64 0.00 0.00 178.16 177.87 3mka h ALA 88 N -0.13 1.14 -3.00 1.82 0.00 -1.08 -3.44 119.26 114.58 3mka h ALA 88 Ca -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3mka h ALA 88 Cb 1.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3mka h ALA 88 CO -0.00 0.11 0.00 0.66 0.00 0.00 0.00 179.25 180.02 3mka n TYR 89 N -3.40 0.00 -4.07 0.00 4.01 -0.53 -5.08 117.16 108.08 3mka n TYR 89 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 3mka n TYR 89 Cb 0.25 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.18 3mka n TYR 89 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3mka s ASP 90 N 1.00 0.72 0.33 7.72 2.15 -1.22 -4.93 116.67 122.43 3mka s ASP 90 Ca 0.00 -0.72 0.11 0.00 0.43 0.00 0.00 52.55 52.37 3mka s ASP 90 Cb 0.00 0.09 0.95 0.00 -0.30 0.00 0.00 42.92 43.66 3mka s ASP 90 CO 0.00 -0.35 1.70 0.03 -0.17 0.00 0.00 175.17 176.38 3mka h ARG 91 N 3.95 0.44 0.00 4.34 3.08 -1.88 0.42 114.38 124.73 3mka h ARG 91 Ca -0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3mka h ARG 91 Cb 1.19 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3mka h ARG 91 CO 0.51 0.29 0.00 -2.13 -1.07 0.00 0.00 179.97 177.57 3mka n ARG 92 N -4.97 0.35 0.00 0.04 3.00 -1.26 -2.31 116.66 111.51 3mka n ARG 92 Ca 0.28 0.06 0.11 0.00 -0.00 0.00 0.00 57.85 58.31 3mka n ARG 92 Cb 0.83 -1.50 0.04 0.00 0.00 0.00 0.00 32.46 31.83 3mka n ARG 92 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3mka n ASP 93 N -1.11 1.61 -4.70 6.15 8.00 0.14 -4.89 116.55 121.74 3mka n ASP 93 Ca 0.09 -1.27 -0.40 0.00 0.71 0.00 0.00 54.79 53.92 3mka n ASP 93 Cb 0.07 0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 41.66 3mka n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mka s VAL 94 N -2.61 4.99 0.12 2.53 1.01 -0.98 -5.01 120.40 120.45 3mka s VAL 94 Ca 0.17 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.76 3mka s VAL 94 Cb 0.18 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3mka s VAL 94 CO 0.63 0.19 -0.12 0.42 0.00 0.00 0.00 175.10 176.21 3mka s THR 95 N 1.16 1.20 0.18 3.92 -4.23 -1.26 -5.02 115.64 111.59 3mka s THR 95 Ca 0.39 -1.75 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 3mka s THR 95 Cb -0.18 -1.53 0.09 0.00 1.34 0.00 0.00 72.50 72.22 3mka s THR 95 CO 0.18 -0.51 1.85 1.23 -0.54 0.00 0.00 174.62 176.83 3mka h GLY 96 N 3.41 0.85 0.13 3.99 0.00 -1.92 -1.78 103.07 107.74 3mka h GLY 96 Ca -0.39 -0.32 0.18 0.00 0.00 0.00 0.00 47.33 46.80 3mka h GLY 96 CO 0.53 0.32 0.54 -0.09 0.00 0.00 0.00 176.54 177.84 3mka h ARG 97 N 0.81 0.67 -0.30 4.80 2.43 -1.96 -0.46 114.38 120.38 3mka h ARG 97 Ca 0.22 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.18 3mka h ARG 97 Cb -0.08 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3mka h ARG 97 CO -0.05 0.45 -0.47 1.96 -1.51 0.00 0.00 179.97 180.35 3mka h GLN 98 N 0.69 0.80 -0.36 0.20 4.20 -1.75 -1.41 115.11 117.49 3mka h GLN 98 Ca 0.54 -0.46 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3mka h GLN 98 Cb 0.84 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3mka h GLN 98 CO -0.39 1.09 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.72 3mka h LEU 99 N 0.64 0.58 -0.20 1.46 -0.00 -0.95 -1.64 115.31 115.20 3mka h LEU 99 Ca 0.03 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.72 3mka h LEU 99 Cb 1.05 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.55 3mka h LEU 99 CO 0.10 0.70 -0.05 0.00 -0.00 0.00 0.00 178.44 179.20 3mka h ALA 100 N 1.36 0.27 -0.90 1.53 0.00 -0.93 -1.88 119.26 118.71 3mka h ALA 100 Ca 0.11 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3mka h ALA 100 Cb 0.47 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3mka h ALA 100 CO 0.03 0.05 0.59 -0.97 0.00 0.00 0.00 179.25 178.95 3mka h ASN 101 N 0.10 0.96 -0.22 0.00 -0.73 -1.10 -0.77 115.58 113.81 3mka h ASN 101 Ca 0.05 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.16 3mka h ASN 101 Cb 0.50 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 3mka h ASN 101 CO 0.02 0.65 -0.06 0.58 -0.37 0.00 0.00 177.43 178.24 3mka h VAL 102 N 1.10 1.29 -0.79 2.57 2.07 -1.13 -2.01 116.25 119.35 3mka h VAL 102 Ca 0.37 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3mka h VAL 102 Cb 0.07 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3mka h VAL 102 CO -0.12 0.33 0.49 1.88 0.02 0.00 0.00 177.57 180.17 3mka h TYR 103 N 0.16 0.90 -0.12 1.57 0.05 -0.86 -0.17 116.97 118.50 3mka h TYR 103 Ca 0.05 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.90 3mka h TYR 103 Cb 0.53 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 3mka h TYR 103 CO 0.05 0.48 -0.10 0.00 -1.05 0.00 0.00 178.16 177.54 3mka h ALA 104 N 1.36 -0.00 -0.92 3.88 0.00 -1.01 0.27 119.26 122.83 3mka h ALA 104 Ca 0.33 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3mka h ALA 104 Cb 0.11 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3mka h ALA 104 CO -0.15 -0.55 0.53 0.37 0.00 0.00 0.00 179.25 179.45 3mka h GLN 105 N -0.11 1.27 0.39 0.00 5.75 -0.85 -0.14 115.11 121.41 3mka h GLN 105 Ca 0.08 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3mka h GLN 105 Cb 0.23 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.53 3mka h GLN 105 CO -0.19 0.91 -0.19 1.15 -2.65 0.00 0.00 178.83 177.86 3mka h THR 106 N 1.28 0.52 -0.92 2.39 2.02 0.08 -1.66 112.91 116.62 3mka h THR 106 Ca 0.33 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.97 3mka h THR 106 Cb -0.01 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 3mka h THR 106 CO -0.06 0.09 0.60 -0.07 0.37 0.00 0.00 175.52 176.46 3mka h LEU 107 N -0.88 1.03 -0.89 2.58 3.38 -0.52 0.71 115.31 120.72 3mka h LEU 107 Ca -0.05 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.01 3mka h LEU 107 Cb 0.54 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 3mka h LEU 107 CO 0.09 0.73 0.52 1.23 0.09 0.00 0.00 178.44 181.09 3mka h GLY 108 N 1.20 1.42 1.07 0.83 0.00 -0.98 0.19 103.07 106.80 3mka h GLY 108 Ca 0.35 -0.34 -0.24 0.00 0.00 0.00 0.00 47.33 47.10 3mka h GLY 108 CO -0.09 0.11 -0.96 -0.84 0.00 0.00 0.00 176.54 174.75 3mka h THR 109 N 0.82 1.33 -0.37 4.70 2.02 -0.21 -2.96 112.91 118.24 3mka h THR 109 Ca 0.44 -2.26 0.05 0.00 0.77 0.00 0.00 66.41 65.40 3mka h THR 109 Cb 0.46 2.55 -0.04 0.00 -1.74 0.00 0.00 68.15 69.38 3mka h THR 109 CO -0.27 0.68 0.12 0.40 0.37 0.00 0.00 175.52 176.82 3mka h ILE 110 N 0.20 0.87 -0.94 3.11 2.04 -0.32 0.20 117.51 122.67 3mka h ILE 110 Ca -0.13 -0.09 0.15 0.00 1.00 0.00 0.00 64.86 65.79 3mka h ILE 110 Cb 1.65 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 38.22 3mka h ILE 110 CO 0.19 0.05 0.55 0.15 0.00 0.00 0.00 178.15 179.09 3mka h PHE 111 N 0.26 0.98 0.04 1.37 3.57 -0.67 -0.26 116.94 122.22 3mka h PHE 111 Ca 0.17 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.43 3mka h PHE 111 Cb 0.16 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3mka h PHE 111 CO -0.16 0.29 -1.48 1.15 -2.23 0.00 0.00 178.31 175.88 3mka h THR 112 N 0.78 1.16 0.00 4.41 2.02 -1.28 -3.43 112.91 116.58 3mka h THR 112 Ca 0.51 -2.91 0.00 0.00 0.77 0.00 0.00 66.41 64.78 3mka h THR 112 Cb 0.67 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 3mka h THR 112 CO -0.33 0.73 -1.34 -0.62 0.37 0.00 0.00 175.52 174.33 3mka n GLU 113 N -3.26 0.53 -2.08 6.66 -0.58 0.66 -5.01 120.64 117.57 3mka n GLU 113 Ca -0.13 -0.08 -0.28 0.00 -0.42 0.00 0.00 57.16 56.26 3mka n GLU 113 Cb 1.02 -1.19 0.07 0.00 -0.57 0.00 0.00 31.44 30.76 3mka n GLU 113 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3mka s GLN 114 N -2.56 2.33 0.35 3.49 -0.21 -0.14 -4.93 119.66 117.99 3mka s GLN 114 Ca -0.03 0.02 0.18 0.00 0.02 0.00 0.00 55.36 55.55 3mka s GLN 114 Cb 0.06 -2.09 0.56 0.00 1.00 0.00 0.00 33.01 32.54 3mka s GLN 114 CO 0.37 -1.25 1.68 0.00 -2.12 0.00 0.00 175.29 173.97 3mka h ALA 115 N -0.70 0.92 -3.59 6.09 0.00 -1.95 -3.43 119.26 116.61 3mka h ALA 115 Ca -0.45 -0.37 -0.37 0.00 0.00 0.00 0.00 54.91 53.71 3mka h ALA 115 Cb 1.30 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.70 3mka h ALA 115 CO 0.63 0.51 -0.76 0.21 0.00 0.00 0.00 179.25 179.84 3mka s LYS 116 N -3.48 0.61 0.98 0.00 2.20 -1.26 -5.14 119.74 113.65 3mka s LYS 116 Ca 0.01 -0.09 -0.13 0.00 -0.36 0.00 0.00 55.97 55.40 3mka s LYS 116 Cb 0.10 -0.65 0.18 0.00 -1.51 0.00 0.00 37.83 35.95 3mka s LYS 116 CO 0.70 -0.04 1.12 -1.25 -0.36 0.00 0.00 175.35 175.52 3mka s PRO 117 N 0.66 0.58 -0.06 4.03 0.04 -1.26 -4.90 135.00 134.09 3mka s PRO 117 Ca -0.08 0.32 -0.24 0.00 0.04 0.00 0.00 61.00 61.04 3mka s PRO 117 Cb -0.11 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 3mka s PRO 117 CO -0.00 -2.58 0.74 0.71 0.04 0.00 0.00 177.00 175.90 3mka s TYR 118 N -3.14 3.58 -1.29 0.56 1.51 -1.26 -4.94 117.35 112.37 3mka s TYR 118 Ca 0.65 1.30 -0.12 0.00 -1.01 0.00 0.00 57.07 57.89 3mka s TYR 118 Cb -0.16 -2.85 0.14 0.00 -0.11 0.00 0.00 41.96 38.99 3mka s TYR 118 CO 0.55 0.06 1.78 0.39 -1.11 0.00 0.00 175.55 177.23 3mka n GLU 119 N 3.84 3.40 -3.76 -0.62 1.02 -1.26 -4.69 120.64 118.57 3mka n GLU 119 Ca -0.00 -3.47 -0.10 0.00 -0.02 0.00 0.00 57.16 53.56 3mka n GLU 119 Cb 0.51 -3.06 -0.07 0.00 -0.02 0.00 0.00 31.44 28.80 3mka n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3mka s VAL 120 N 1.49 0.10 -0.01 2.62 -7.23 -1.26 -1.11 120.40 114.99 3mka s VAL 120 Ca 0.43 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 3mka s VAL 120 Cb 0.06 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.93 3mka s VAL 120 CO -0.00 -0.45 0.02 -0.70 -0.31 0.00 0.00 175.10 173.66 3mka s GLU 121 N -3.17 0.02 0.07 4.82 2.12 0.04 -2.93 118.70 119.68 3mka s GLU 121 Ca -0.01 0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.44 3mka s GLU 121 Cb 0.01 -0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.16 3mka s GLU 121 CO -0.07 -0.11 -0.05 -0.48 -0.54 0.00 0.00 175.26 174.01 3mka s LEU 122 N 0.73 2.48 -0.08 2.70 0.05 -0.46 -1.66 118.68 122.44 3mka s LEU 122 Ca -0.06 -0.96 0.04 0.00 0.05 0.00 0.00 54.13 53.19 3mka s LEU 122 Cb -0.09 0.04 0.00 0.00 -2.05 0.00 0.00 46.19 44.10 3mka s LEU 122 CO -0.02 -0.50 -0.19 0.00 -0.55 0.00 0.00 176.35 175.09 3mka s VAL 124 N 0.39 2.36 0.04 0.00 1.01 -0.75 -1.48 120.40 121.97 3mka s VAL 124 Ca -0.15 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.04 3mka s VAL 124 Cb -0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3mka s VAL 124 CO 0.06 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.47 3mka s ALA 125 N 0.98 1.84 -0.05 5.51 0.00 -0.23 -1.25 121.76 128.57 3mka s ALA 125 Ca -0.03 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 50.85 3mka s ALA 125 Cb -0.15 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.62 3mka s ALA 125 CO -0.04 0.42 -0.01 -2.00 0.00 0.00 0.00 175.76 174.13 3mka s GLU 126 N -1.12 0.54 0.42 0.00 2.12 -0.60 0.13 118.70 120.18 3mka s GLU 126 Ca 0.08 0.05 0.08 0.00 0.36 0.00 0.00 54.97 55.54 3mka s GLU 126 Cb -0.09 -0.75 -0.00 0.00 0.26 0.00 0.00 34.13 33.55 3mka s GLU 126 CO 0.02 -0.18 0.49 0.14 -0.54 0.00 0.00 175.26 175.19 3mka s VAL 127 N 1.35 2.85 0.83 3.70 -7.23 -0.84 -1.58 120.40 119.47 3mka s VAL 127 Ca -0.05 -1.14 -0.12 0.00 -1.81 0.00 0.00 61.98 58.87 3mka s VAL 127 Cb -0.13 -2.99 0.09 0.00 0.56 0.00 0.00 36.38 33.91 3mka s VAL 127 CO -0.02 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 175.87 3mka s ALA 128 N -2.40 2.09 0.50 1.32 0.00 -1.26 -4.86 121.76 117.16 3mka s ALA 128 Ca 0.52 -0.23 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 3mka s ALA 128 Cb -0.07 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 3mka s ALA 128 CO 0.31 -1.88 1.01 -1.01 0.00 0.00 0.00 175.76 174.19 3mka s HIS 129 N -3.15 3.16 -0.35 0.00 3.76 -1.26 -4.80 115.29 112.65 3mka s HIS 129 Ca 0.61 1.55 -0.42 0.00 -0.15 0.00 0.00 55.06 56.65 3mka s HIS 129 Cb -0.15 -2.95 -0.17 0.00 1.11 0.00 0.00 32.58 30.42 3mka s HIS 129 CO 0.54 -0.64 1.70 0.98 -0.85 0.00 0.00 174.74 176.47 3mka n TYR 130 N -1.26 1.95 0.00 1.40 9.36 -1.26 -0.46 117.16 126.89 3mka n TYR 130 Ca 0.08 0.74 0.00 0.00 3.32 0.00 0.00 57.90 62.04 3mka n TYR 130 Cb 0.53 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 3mka n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3mka n GLY 131 N 4.13 2.90 3.73 2.98 0.00 -1.26 -5.05 105.19 112.62 3mka n GLY 131 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 3mka n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mka s GLU 132 N -0.01 0.15 -0.33 1.61 2.02 0.39 -5.04 118.70 117.49 3mka s GLU 132 Ca 0.00 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.08 3mka s GLU 132 Cb 0.00 -1.74 0.12 0.00 0.10 0.00 0.00 34.13 32.60 3mka s GLU 132 CO 0.00 -2.83 0.16 0.95 0.02 0.00 0.00 175.26 173.56 3mka s THR 133 N -3.23 0.34 0.00 3.63 -4.23 -1.26 -4.80 115.64 106.09 3mka s THR 133 Ca 0.68 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.84 3mka s THR 133 Cb -0.12 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 3mka s THR 133 CO 0.55 -0.82 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.01 3mka s LYS 134 N 1.51 0.43 0.15 3.99 2.20 -1.26 -5.11 119.74 121.65 3mka s LYS 134 Ca 0.13 -0.24 -0.31 0.00 -0.36 0.00 0.00 55.97 55.19 3mka s LYS 134 Cb -0.19 -0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 35.64 3mka s LYS 134 CO -0.19 0.11 1.41 1.03 -0.36 0.00 0.00 175.35 177.34 3mka s ARG 135 N -0.26 4.31 0.97 4.03 0.52 -1.26 -4.40 118.95 122.86 3mka s ARG 135 Ca 0.01 2.14 -0.13 0.00 -0.52 0.00 0.00 55.73 57.23 3mka s ARG 135 Cb -0.03 -3.21 0.05 0.00 0.52 0.00 0.00 34.95 32.29 3mka s ARG 135 CO -0.00 -0.43 0.37 -2.30 0.02 0.00 0.00 175.30 172.96 3mka n PRO 136 N 3.51 -0.49 -4.54 3.54 -0.02 -1.26 -4.87 135.00 130.87 3mka n PRO 136 Ca 0.10 -0.10 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 3mka n PRO 136 Cb 0.42 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 3mka n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3mka s GLU 137 N -3.64 1.07 -0.00 -0.52 2.02 -0.62 -4.99 118.70 112.03 3mka s GLU 137 Ca 0.57 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.96 3mka s GLU 137 Cb -0.20 -1.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.96 3mka s GLU 137 CO 0.67 0.28 -0.08 -0.51 0.02 0.00 0.00 175.26 175.64 3mka s LEU 138 N -0.68 2.02 0.02 1.80 1.43 -1.24 -1.55 118.68 120.47 3mka s LEU 138 Ca 0.04 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3mka s LEU 138 Cb -0.06 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 3mka s LEU 138 CO 0.00 0.10 -0.09 -0.31 0.23 0.00 0.00 176.35 176.28 3mka s TYR 139 N -0.22 0.77 -0.04 0.29 2.02 -0.38 -1.57 117.35 118.21 3mka s TYR 139 Ca 0.03 -0.28 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 3mka s TYR 139 Cb -0.03 -0.47 -0.01 0.00 -0.40 0.00 0.00 41.96 41.04 3mka s TYR 139 CO -0.00 -0.02 -0.24 0.50 -1.57 0.00 0.00 175.55 174.22 3mka s ARG 140 N -0.81 2.29 -0.13 -0.62 3.52 0.06 -1.81 118.95 121.44 3mka s ARG 140 Ca -0.01 -0.87 0.01 0.00 -0.13 0.00 0.00 55.73 54.73 3mka s ARG 140 Cb -0.06 -2.02 0.02 0.00 -1.56 0.00 0.00 34.95 31.32 3mka s ARG 140 CO 0.00 0.42 -0.15 0.42 -0.81 0.00 0.00 175.30 175.17 3mka s ILE 141 N -0.28 1.59 0.68 4.11 1.09 0.91 -0.15 121.20 129.14 3mka s ILE 141 Ca 0.01 -0.67 -0.07 0.00 -1.10 0.00 0.00 60.65 58.81 3mka s ILE 141 Cb -0.12 -1.46 0.04 0.00 -1.06 0.00 0.00 42.46 39.86 3mka s ILE 141 CO 0.02 0.46 1.01 0.42 -0.10 0.00 0.00 174.94 176.75 3mka s THR 142 N 1.19 2.77 0.43 2.92 -4.23 -0.16 -1.36 115.64 117.19 3mka s THR 142 Ca -0.02 -0.09 0.09 0.00 -1.18 0.00 0.00 61.69 60.50 3mka s THR 142 Cb -0.14 -3.18 0.24 0.00 1.34 0.00 0.00 72.50 70.76 3mka s THR 142 CO -0.06 -0.20 2.05 0.10 -0.54 0.00 0.00 174.62 175.97 3mka h TYR 143 N -0.53 0.36 0.00 3.99 -0.00 -1.81 0.11 116.97 119.09 3mka h TYR 143 Ca -0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.25 3mka h TYR 143 Cb 1.29 -0.12 -0.00 0.00 0.00 0.00 0.00 36.73 37.90 3mka h TYR 143 CO 0.39 0.27 -0.12 0.22 -0.00 0.00 0.00 178.16 178.92 3mka h ASP 144 N 0.38 0.00 0.00 0.10 -0.00 -1.89 -3.40 116.42 111.61 3mka h ASP 144 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 3mka h ASP 144 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.37 3mka h ASP 144 CO -0.01 0.12 0.00 0.61 -0.00 0.00 0.00 179.24 179.96 3mka n GLY 145 N -0.92 0.78 3.78 -0.78 0.00 0.38 -4.15 105.19 104.27 3mka n GLY 145 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3mka n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mka s SER 146 N -2.44 6.51 -0.03 1.61 0.01 -1.26 -4.66 113.70 113.44 3mka s SER 146 Ca 0.00 2.17 0.04 0.00 1.31 0.00 0.00 55.95 59.47 3mka s SER 146 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 3mka s SER 146 CO 0.00 -0.67 -0.17 -0.51 0.41 0.00 0.00 173.24 172.30 3mka s ILE 147 N -1.59 1.38 -0.03 1.44 2.07 -1.26 -0.99 121.20 122.22 3mka s ILE 147 Ca 0.60 -0.70 0.05 0.00 -1.41 0.00 0.00 60.65 59.18 3mka s ILE 147 Cb -0.25 -1.18 -0.01 0.00 0.13 0.00 0.00 42.46 41.15 3mka s ILE 147 CO 0.31 0.40 -0.17 0.00 -1.91 0.00 0.00 174.94 173.57 3mka s ALA 148 N -0.07 1.45 -0.68 1.50 0.00 0.78 -4.94 121.76 119.80 3mka s ALA 148 Ca -0.01 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 3mka s ALA 148 Cb -0.10 -0.43 0.10 0.00 0.00 0.00 0.00 23.12 22.69 3mka s ALA 148 CO 0.01 0.31 0.87 0.34 0.00 0.00 0.00 175.76 177.29 3mka s ASP 149 N -0.16 6.28 -0.16 0.00 -1.08 -1.26 -0.76 116.67 119.52 3mka s ASP 149 Ca 0.01 -1.45 -0.18 0.00 -0.52 0.00 0.00 52.55 50.41 3mka s ASP 149 Cb -0.09 -2.35 -0.04 0.00 -1.46 0.00 0.00 42.92 38.98 3mka s ASP 149 CO 0.01 -1.19 0.47 -1.61 0.52 0.00 0.00 175.17 173.37 3mka s GLU 150 N 3.02 4.25 0.17 4.34 0.41 -0.61 -5.00 118.70 125.28 3mka s GLU 150 Ca 0.19 0.38 -0.04 0.00 -0.41 0.00 0.00 54.97 55.09 3mka s GLU 150 Cb -0.18 -3.50 0.04 0.00 -1.78 0.00 0.00 34.13 28.72 3mka s GLU 150 CO 0.04 0.01 1.45 -1.35 -0.49 0.00 0.00 175.26 174.92 3mka h PRO 151 N 7.10 0.56 0.00 0.39 0.11 -1.96 -3.30 132.00 134.90 3mka h PRO 151 Ca -0.37 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 65.34 3mka h PRO 151 Cb 1.17 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mka h PRO 151 CO 0.74 1.02 -0.81 0.72 -0.21 0.00 0.00 178.00 179.47 3mka n HIS 152 N -3.92 0.00 -3.81 0.65 8.25 -1.26 -4.88 115.22 110.26 3mka n HIS 152 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 3mka n HIS 152 Cb 0.66 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 3mka n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3mka s PHE 153 N -1.81 -0.08 -0.00 4.41 -0.12 -1.26 0.22 117.98 119.35 3mka s PHE 153 Ca 0.00 -0.30 -0.02 0.00 -0.05 0.00 0.00 56.93 56.57 3mka s PHE 153 Cb 0.00 0.47 -0.00 0.00 -0.63 0.00 0.00 43.02 42.86 3mka s PHE 153 CO 0.00 -1.04 0.03 0.08 -0.05 0.00 0.00 175.22 174.25 3mka s VAL 154 N -3.91 0.05 -0.04 -2.49 1.01 0.16 -4.89 120.40 110.28 3mka s VAL 154 Ca 0.12 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3mka s VAL 154 Cb -0.03 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.19 3mka s VAL 154 CO 0.02 -0.21 -0.07 -0.69 0.00 0.00 0.00 175.10 174.15 3mka s VAL 155 N -0.64 0.72 0.02 2.92 1.01 -1.26 -0.82 120.40 122.35 3mka s VAL 155 Ca -0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 3mka s VAL 155 Cb -0.04 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 3mka s VAL 155 CO -0.00 0.25 0.15 -0.04 0.00 0.00 0.00 175.10 175.46 3mka s MET 156 N 0.64 0.59 0.00 2.72 -1.94 -0.28 -5.01 119.30 116.01 3mka s MET 156 Ca -0.10 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 3mka s MET 156 Cb -0.13 0.24 0.00 0.00 2.01 0.00 0.00 34.83 36.95 3mka s MET 156 CO 0.01 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.28 3mka n GLY 157 N 1.00 1.05 7.00 -0.03 0.00 -1.26 -0.08 105.19 112.87 3mka n GLY 157 Ca -0.20 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3mka n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mka n GLY 158 N 1.29 2.35 3.50 -0.02 0.00 -0.31 -4.29 105.19 107.71 3mka n GLY 158 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3mka n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mka s THR 159 N 0.00 5.14 -0.15 2.61 -4.23 -1.26 -4.38 115.64 113.37 3mka s THR 159 Ca 0.00 -0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 60.08 3mka s THR 159 Cb 0.00 -3.94 -0.23 0.00 1.34 0.00 0.00 72.50 69.66 3mka s THR 159 CO 0.00 -0.29 0.36 0.71 -0.54 0.00 0.00 174.62 174.87 3mka h THR 160 N 5.65 0.90 -0.69 3.99 1.35 -1.97 -3.41 112.91 118.73 3mka h THR 160 Ca -0.28 -2.28 0.11 0.00 -0.55 0.00 0.00 66.41 63.41 3mka h THR 160 Cb 1.12 2.46 -0.11 0.00 -1.73 0.00 0.00 68.15 69.90 3mka h THR 160 CO 0.75 0.58 -0.26 -0.62 -0.25 0.00 0.00 175.52 175.72 3mka n GLU 161 N -4.05 -0.16 0.21 4.72 4.71 -1.26 0.38 120.64 125.19 3mka n GLU 161 Ca -0.29 1.06 -0.16 0.00 -0.01 0.00 0.00 57.16 57.76 3mka n GLU 161 Cb 0.83 -1.58 -0.08 0.00 -1.01 0.00 0.00 31.44 29.60 3mka n GLU 161 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3mka h PRO 162 N 0.00 -0.74 -0.62 3.49 0.13 -1.94 0.12 132.00 132.43 3mka h PRO 162 Ca 0.24 0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.50 3mka h PRO 162 Cb 0.42 0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.66 3mka h PRO 162 CO -0.69 -0.49 0.31 0.82 -0.23 0.00 0.00 178.00 177.72 3mka h ILE 163 N -0.77 0.89 0.33 -3.56 2.04 -0.97 0.24 117.51 115.71 3mka h ILE 163 Ca -0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3mka h ILE 163 Cb 0.71 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3mka h ILE 163 CO -0.11 0.10 -0.17 0.00 0.00 0.00 0.00 178.15 177.97 3mka h ALA 164 N 1.37 -0.46 -0.58 1.87 0.00 0.20 -1.75 119.26 119.91 3mka h ALA 164 Ca 0.29 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3mka h ALA 164 Cb 0.26 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3mka h ALA 164 CO -0.23 -0.76 0.17 -0.91 0.00 0.00 0.00 179.25 177.53 3mka h ASN 165 N -0.46 0.85 -0.95 0.00 2.35 -0.44 0.22 115.58 117.15 3mka h ASN 165 Ca -0.04 -0.21 0.15 0.00 -0.55 0.00 0.00 56.30 55.65 3mka h ASN 165 Cb 0.36 -0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.42 3mka h ASN 165 CO 0.07 0.84 0.60 0.00 -1.65 0.00 0.00 177.43 177.29 3mka h ALA 166 N 1.04 1.74 0.22 -0.83 0.00 -0.42 0.77 119.26 121.77 3mka h ALA 166 Ca 0.19 0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.81 3mka h ALA 166 Cb 0.30 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 17.99 3mka h ALA 166 CO -0.00 -0.02 -1.41 1.25 0.00 0.00 0.00 179.25 179.07 3mka h LEU 167 N 0.78 0.74 -0.57 0.00 5.85 -0.74 -2.64 115.31 118.72 3mka h LEU 167 Ca 0.50 -0.79 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3mka h LEU 167 Cb 0.74 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3mka h LEU 167 CO -0.26 1.61 0.34 0.50 -0.34 0.00 0.00 178.44 180.29 3mka h LYS 168 N 0.13 0.65 -0.31 1.25 3.64 0.70 0.57 116.57 123.20 3mka h LYS 168 Ca -0.22 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.01 3mka h LYS 168 Cb 2.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.78 3mka h LYS 168 CO 0.26 0.43 -0.22 0.93 -2.27 0.00 0.00 179.45 178.58 3mka h GLU 169 N 0.67 0.70 -0.12 1.90 4.39 -0.98 -3.34 114.58 117.79 3mka h GLU 169 Ca 0.23 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3mka h GLU 169 Cb 0.03 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3mka h GLU 169 CO -0.10 0.94 0.00 -1.13 -1.16 0.00 0.00 179.01 177.55 3mka n SER 170 N -4.31 3.03 -4.73 1.42 3.41 -0.99 -4.98 113.62 106.46 3mka n SER 170 Ca -0.03 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.19 3mka n SER 170 Cb 0.43 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3mka n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3mka s TYR 171 N -1.87 3.33 -0.10 7.33 5.04 0.20 -5.02 117.35 126.25 3mka s TYR 171 Ca 0.31 1.21 0.02 0.00 -2.44 0.00 0.00 57.07 56.18 3mka s TYR 171 Cb 0.21 -3.55 0.01 0.00 0.35 0.00 0.00 41.96 38.98 3mka s TYR 171 CO 0.31 -1.74 -0.16 0.00 -1.34 0.00 0.00 175.55 172.61 3mka s ALA 172 N 0.49 1.70 0.43 3.97 0.00 -1.26 -5.02 121.76 122.07 3mka s ALA 172 Ca 0.58 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 3mka s ALA 172 Cb -0.34 -0.80 -0.08 0.00 0.00 0.00 0.00 23.12 21.89 3mka s ALA 172 CO 0.34 -0.02 1.15 -2.00 0.00 0.00 0.00 175.76 175.23 3mka s GLU 173 N 0.89 3.93 -1.50 0.00 2.12 -1.26 -3.28 118.70 119.59 3mka s GLU 173 Ca -0.09 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.01 3mka s GLU 173 Cb -0.15 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.71 3mka s GLU 173 CO -0.00 -0.41 0.00 0.09 -0.54 0.00 0.00 175.26 174.40 3mka n ASN 174 N -0.21 -5.07 -4.78 -1.70 3.02 -1.26 -4.95 115.26 100.30 3mka n ASN 174 Ca 0.06 0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 3mka n ASN 174 Cb 0.48 -4.16 0.01 0.00 -0.61 0.00 0.00 39.78 35.50 3mka n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mka s ALA 175 N -2.85 2.67 0.81 5.41 0.00 -1.21 -4.33 121.76 122.26 3mka s ALA 175 Ca 0.00 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 3mka s ALA 175 Cb 0.00 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.89 3mka s ALA 175 CO 0.00 -0.84 1.12 -1.12 0.00 0.00 0.00 175.76 174.92 3mka s SER 176 N -2.17 3.97 0.17 0.00 0.01 -1.26 -3.00 113.70 111.41 3mka s SER 176 Ca 0.69 2.02 -0.15 0.00 1.31 0.00 0.00 55.95 59.83 3mka s SER 176 Cb -0.21 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.53 3mka s SER 176 CO 0.31 -2.40 1.83 0.25 0.41 0.00 0.00 173.24 173.64 3mka h LEU 177 N -1.20 0.56 -0.53 2.44 5.85 -1.99 -0.04 115.31 120.42 3mka h LEU 177 Ca -0.44 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 3mka h LEU 177 Cb 1.25 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3mka h LEU 177 CO 0.48 0.41 0.25 0.74 -0.34 0.00 0.00 178.44 179.98 3mka h THR 178 N 0.66 1.20 -0.66 1.05 2.02 -1.91 0.40 112.91 115.67 3mka h THR 178 Ca 0.18 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3mka h THR 178 Cb -0.07 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3mka h THR 178 CO -0.04 0.23 0.32 0.44 0.37 0.00 0.00 175.52 176.83 3mka h ASP 179 N 0.71 0.87 -0.64 4.18 3.32 -1.86 -0.53 116.42 122.48 3mka h ASP 179 Ca 0.18 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3mka h ASP 179 Cb 0.13 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3mka h ASP 179 CO -0.02 0.76 0.29 0.00 -1.72 0.00 0.00 179.24 178.55 3mka h ALA 180 N 1.14 0.82 -0.54 3.45 0.00 -0.64 -0.51 119.26 122.98 3mka h ALA 180 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 180 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3mka h ALA 180 CO -0.03 0.41 0.27 1.25 0.00 0.00 0.00 179.25 181.14 3mka h LEU 181 N 0.88 0.70 -0.59 0.00 5.85 -0.48 -0.08 115.31 121.60 3mka h LEU 181 Ca 0.22 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3mka h LEU 181 Cb 0.15 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3mka h LEU 181 CO -0.02 0.63 0.27 0.03 -0.34 0.00 0.00 178.44 179.00 3mka h ARG 182 N 0.72 0.86 -0.69 1.25 3.08 -0.66 0.10 114.38 119.05 3mka h ARG 182 Ca 0.19 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3mka h ARG 182 Cb 0.10 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3mka h ARG 182 CO -0.02 0.71 0.34 0.82 -1.07 0.00 0.00 179.97 180.74 3mka h ILE 183 N 0.80 1.23 -0.57 2.04 2.04 -0.69 -0.40 117.51 121.95 3mka h ILE 183 Ca 0.20 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3mka h ILE 183 Cb 0.14 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3mka h ILE 183 CO -0.02 0.26 0.26 0.00 0.00 0.00 0.00 178.15 178.65 3mka h ALA 184 N 1.16 0.74 -0.74 1.87 0.00 -0.62 -0.62 119.26 121.05 3mka h ALA 184 Ca 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 184 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3mka h ALA 184 CO -0.03 0.32 0.32 0.28 0.00 0.00 0.00 179.25 180.14 3mka h VAL 185 N 0.78 1.25 -0.58 0.00 2.07 -0.56 -0.13 116.25 119.08 3mka h VAL 185 Ca 0.19 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 3mka h VAL 185 Cb 0.15 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3mka h VAL 185 CO -0.02 0.31 0.23 0.00 0.02 0.00 0.00 177.57 178.10 3mka h ALA 186 N 1.16 0.75 -0.81 1.67 0.00 -0.65 0.15 119.26 121.53 3mka h ALA 186 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3mka h ALA 186 Cb 0.18 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3mka h ALA 186 CO -0.02 0.37 0.34 0.00 0.00 0.00 0.00 179.25 179.94 3mka h ALA 187 N 1.08 1.07 -0.55 0.00 0.00 -0.69 -1.83 119.26 118.33 3mka h ALA 187 Ca 0.19 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 187 Cb 0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3mka h ALA 187 CO -0.02 0.67 -0.00 1.25 0.00 0.00 0.00 179.25 181.15 3mka h LEU 188 N 1.17 0.92 -1.05 0.00 5.85 -0.58 -2.79 115.31 118.84 3mka h LEU 188 Ca 0.27 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3mka h LEU 188 Cb 0.20 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3mka h LEU 188 CO -0.03 0.98 0.27 -0.09 -0.34 0.00 0.00 178.44 179.23 3mka h ARG 189 N 0.87 0.95 -0.70 1.25 2.43 -0.10 -2.16 114.38 116.92 3mka h ARG 189 Ca 0.16 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3mka h ARG 189 Cb 0.51 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3mka h ARG 189 CO 0.03 0.77 0.43 0.00 -1.51 0.00 0.00 179.97 179.68 3mka h ALA 190 N 1.36 1.44 -0.88 2.80 0.00 -1.07 -2.29 119.26 120.61 3mka h ALA 190 Ca 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3mka h ALA 190 Cb 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3mka h ALA 190 CO -0.02 0.49 0.44 0.78 0.00 0.00 0.00 179.25 180.94 3mka h GLY 191 N 0.99 1.33 -4.17 0.00 0.00 -1.31 -3.45 103.07 96.46 3mka h GLY 191 Ca 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3mka h GLY 191 CO -0.05 0.61 -0.48 -1.26 0.00 0.00 0.00 176.54 175.37 3mka n SER 192 N -4.31 -5.25 0.00 0.19 2.88 -0.87 -4.92 113.62 101.34 3mka n SER 192 Ca 0.09 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 3mka n SER 192 Cb 0.12 -3.36 0.00 0.00 -0.75 0.00 0.00 64.21 60.23 3mka n SER 192 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3mka n LEU 203 N 0.21 0.00 -4.77 2.46 4.77 -1.26 -5.14 117.00 113.26 3mka n LEU 203 Ca 0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.60 3mka n LEU 203 Cb 0.06 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3mka n LEU 203 CO 0.25 0.00 0.99 -0.83 -1.33 0.00 0.00 177.39 176.47 3mka s GLY 204 N 0.00 2.94 0.21 -0.72 0.00 -1.26 -4.89 107.32 103.60 3mka s GLY 204 Ca 0.00 1.30 -0.09 0.00 0.00 0.00 0.00 44.72 45.93 3mka s GLY 204 CO 0.00 1.90 1.79 -2.08 0.00 0.00 0.00 173.10 174.72 3mka h VAL 205 N 2.59 1.25 -0.74 1.40 2.07 -1.97 -0.17 116.25 120.68 3mka h VAL 205 Ca -0.50 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 3mka h VAL 205 Cb 1.24 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3mka h VAL 205 CO 0.63 0.30 0.28 0.00 0.02 0.00 0.00 177.57 178.80 3mka h ALA 206 N 1.18 0.97 -0.65 1.67 0.00 -1.88 -3.07 119.26 117.48 3mka h ALA 206 Ca 0.26 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3mka h ALA 206 Cb 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3mka h ALA 206 CO -0.03 0.61 0.14 0.66 0.00 0.00 0.00 179.25 180.63 3mka h SER 207 N 1.08 0.98 -2.44 0.00 4.64 -1.42 -3.30 113.55 113.08 3mka h SER 207 Ca 0.25 -0.21 -0.52 0.00 -0.47 0.00 0.00 61.79 60.84 3mka h SER 207 Cb 0.24 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 3mka h SER 207 CO -0.02 0.95 -0.49 -0.76 -0.87 0.00 0.00 176.83 175.65 3mka s LEU 208 N -9.45 4.14 -0.14 5.97 1.02 -0.17 0.36 118.68 120.40 3mka s LEU 208 Ca -0.11 0.02 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 3mka s LEU 208 Cb 0.15 -2.71 0.04 0.00 0.02 0.00 0.00 46.19 43.69 3mka s LEU 208 CO 0.83 0.01 -0.04 -0.70 0.02 0.00 0.00 176.35 176.48 3mka s GLU 209 N -3.48 1.24 0.01 1.70 2.12 -0.17 -4.71 118.70 115.41 3mka s GLU 209 Ca 0.33 -0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.36 3mka s GLU 209 Cb -0.10 -1.76 -0.01 0.00 0.26 0.00 0.00 34.13 32.52 3mka s GLU 209 CO 0.27 -0.40 -0.15 0.08 -0.54 0.00 0.00 175.26 174.52 3mka s VAL 210 N 1.73 1.19 0.15 3.70 1.01 -1.26 -1.65 120.40 125.27 3mka s VAL 210 Ca 0.02 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3mka s VAL 210 Cb -0.14 -1.02 0.07 0.00 0.00 0.00 0.00 36.38 35.29 3mka s VAL 210 CO -0.07 0.24 0.58 0.00 0.00 0.00 0.00 175.10 175.85 3mka s ALA 211 N -0.51 -1.54 0.11 5.51 0.00 -0.86 -1.27 121.76 123.21 3mka s ALA 211 Ca 0.05 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.49 3mka s ALA 211 Cb -0.06 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 3mka s ALA 211 CO 0.00 -0.75 -0.09 0.14 0.00 0.00 0.00 175.76 175.06 3mka s VAL 212 N -3.71 0.91 -0.55 0.00 -7.23 0.02 -0.46 120.40 109.37 3mka s VAL 212 Ca 0.01 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 3mka s VAL 212 Cb -0.01 -1.63 0.14 0.00 0.56 0.00 0.00 36.38 35.44 3mka s VAL 212 CO -0.13 -0.74 0.45 -0.76 -0.31 0.00 0.00 175.10 173.62 3mka s LEU 213 N -2.90 5.96 -0.80 1.32 1.43 -0.31 -1.17 118.68 122.21 3mka s LEU 213 Ca 0.11 -2.05 -0.24 0.00 -1.03 0.00 0.00 54.13 50.92 3mka s LEU 213 Cb 0.02 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 44.21 3mka s LEU 213 CO -0.02 -0.71 1.22 -0.62 0.23 0.00 0.00 176.35 176.46 3mka s ASP 214 N 2.75 6.28 0.06 2.29 2.15 0.18 -2.72 116.67 127.66 3mka s ASP 214 Ca 0.07 -0.97 0.03 0.00 0.43 0.00 0.00 52.55 52.12 3mka s ASP 214 Cb -0.25 -2.51 0.18 0.00 -0.30 0.00 0.00 42.92 40.04 3mka s ASP 214 CO -0.01 -1.59 1.03 0.00 -0.17 0.00 0.00 175.17 174.44 3mka n ALA 215 N 8.56 0.86 1.27 3.66 0.00 -1.10 -0.15 120.51 133.61 3mka n ALA 215 Ca 0.10 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.69 3mka n ALA 215 Cb 0.49 -0.90 0.40 0.00 0.00 0.00 0.00 19.45 19.44 3mka n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mka n ASN 216 N -1.56 1.87 -4.80 0.00 5.15 -1.26 -4.40 115.26 110.27 3mka n ASN 216 Ca -0.00 -1.66 -0.37 0.00 -0.60 0.00 0.00 54.58 51.95 3mka n ASN 216 Cb 0.08 -0.05 -0.06 0.00 -0.53 0.00 0.00 39.78 39.22 3mka n ASN 216 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mka s ARG 217 N -1.90 4.43 0.10 1.20 1.81 0.79 -5.00 118.95 120.39 3mka s ARG 217 Ca 0.35 1.10 -0.26 0.00 -1.72 0.00 0.00 55.73 55.20 3mka s ARG 217 Cb 0.20 -2.89 -0.11 0.00 -0.45 0.00 0.00 34.95 31.70 3mka s ARG 217 CO 0.31 0.37 1.67 -1.00 -0.68 0.00 0.00 175.30 175.96 3mka h PRO 218 N 3.41 -0.37 0.00 3.54 0.13 -1.89 -3.39 132.00 133.44 3mka h PRO 218 Ca -0.47 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mka h PRO 218 Cb 1.19 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3mka h PRO 218 CO 0.65 -0.25 0.00 -2.13 -0.23 0.00 0.00 178.00 176.05 3mka n ARG 219 N -5.31 0.00 -2.45 0.86 0.63 -1.26 -4.35 116.66 104.77 3mka n ARG 219 Ca -0.07 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.45 3mka n ARG 219 Cb 0.23 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.11 3mka n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3mka s ARG 220 N -0.70 3.15 0.46 -0.14 0.52 -1.26 -4.45 118.95 116.53 3mka s ARG 220 Ca 0.00 0.03 0.25 0.00 -0.52 0.00 0.00 55.73 55.49 3mka s ARG 220 Cb 0.00 -4.19 1.07 0.00 0.52 0.00 0.00 34.95 32.35 3mka s ARG 220 CO 0.00 -2.17 1.89 0.00 0.02 0.00 0.00 175.30 175.04 3mka h ALA 221 N 10.89 1.08 -2.45 2.13 0.00 -1.34 -3.45 119.26 126.12 3mka h ALA 221 Ca -0.27 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 53.92 3mka h ALA 221 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3mka h ALA 221 CO 1.25 0.25 0.68 0.12 0.00 0.00 0.00 179.25 181.55 3mka s PHE 222 N -3.78 3.22 -0.09 0.00 5.36 -1.26 0.52 117.98 121.95 3mka s PHE 222 Ca -0.00 1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 57.01 3mka s PHE 222 Cb 0.11 -3.55 0.04 0.00 -0.34 0.00 0.00 43.02 39.29 3mka s PHE 222 CO 0.62 -1.84 0.20 1.03 -1.46 0.00 0.00 175.22 173.76 3mka s ARG 223 N 1.53 0.15 -0.09 10.12 0.52 -0.32 -4.95 118.95 125.92 3mka s ARG 223 Ca 0.61 0.45 -0.21 0.00 -0.52 0.00 0.00 55.73 56.06 3mka s ARG 223 Cb -0.31 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.97 3mka s ARG 223 CO 0.28 -0.17 0.62 1.03 0.02 0.00 0.00 175.30 177.08 3mka s ARG 224 N 1.22 4.40 -0.44 3.54 0.52 -1.26 -0.80 118.95 126.13 3mka s ARG 224 Ca -0.09 0.71 -0.17 0.00 -0.52 0.00 0.00 55.73 55.67 3mka s ARG 224 Cb -0.11 -3.44 0.03 0.00 0.52 0.00 0.00 34.95 31.95 3mka s ARG 224 CO -0.07 0.10 0.42 0.42 0.02 0.00 0.00 175.30 176.18 3mka s ILE 225 N 0.74 5.13 0.17 1.52 1.01 -0.40 -4.96 121.20 124.41 3mka s ILE 225 Ca 0.33 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3mka s ILE 225 Cb -0.17 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3mka s ILE 225 CO 0.15 -0.47 -0.15 0.28 0.00 0.00 0.00 174.94 174.75 3mka s THR 226 N 2.00 1.66 0.00 2.92 -1.32 -1.26 -4.28 115.64 115.35 3mka s THR 226 Ca 0.09 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.57 3mka s THR 226 Cb -0.19 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 3mka s THR 226 CO 0.11 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.67 3mka n GLY 227 N 0.05 3.49 0.30 6.08 0.00 -1.26 -3.24 105.19 110.60 3mka n GLY 227 Ca -0.11 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 3mka n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mka h SER 228 N 0.00 0.89 -0.57 1.61 0.02 -1.98 -0.65 113.55 112.87 3mka h SER 228 Ca 0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3mka h SER 228 Cb 0.00 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3mka h SER 228 CO 0.00 0.70 0.27 0.00 -1.14 0.00 0.00 176.83 176.66 3mka h ALA 229 N 1.23 0.74 -0.69 3.77 0.00 -1.96 -0.27 119.26 122.07 3mka h ALA 229 Ca 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3mka h ALA 229 Cb -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3mka h ALA 229 CO -0.05 0.30 0.28 1.25 0.00 0.00 0.00 179.25 181.04 3mka h LEU 230 N 0.77 0.95 -0.75 0.00 5.85 -1.56 -0.89 115.31 119.69 3mka h LEU 230 Ca 0.20 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3mka h LEU 230 Cb 0.13 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3mka h LEU 230 CO -0.02 0.86 0.32 -0.61 -0.34 0.00 0.00 178.44 178.64 3mka h GLN 231 N 0.98 1.10 -0.58 1.25 4.15 -0.65 -0.53 115.11 120.83 3mka h GLN 231 Ca 0.23 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3mka h GLN 231 Cb 0.20 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3mka h GLN 231 CO -0.02 0.89 0.26 0.00 -1.93 0.00 0.00 178.83 178.02 3mka h ALA 232 N 1.16 0.75 -0.78 3.38 0.00 -0.59 -0.47 119.26 122.70 3mka h ALA 232 Ca 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3mka h ALA 232 Cb 0.18 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3mka h ALA 232 CO -0.02 0.34 0.39 -0.07 0.00 0.00 0.00 179.25 179.88 3mka h LEU 233 N 0.79 1.02 -0.72 0.00 3.38 -0.66 -2.55 115.31 116.58 3mka h LEU 233 Ca 0.20 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3mka h LEU 233 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3mka h LEU 233 CO -0.02 0.86 0.11 0.25 0.09 0.00 0.00 178.44 179.73 3mka h LEU 234 N 1.11 1.05 0.00 1.67 6.46 -0.62 -3.47 115.31 121.51 3mka h LEU 234 Ca 0.27 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3mka h LEU 234 Cb 0.10 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 3mka h LEU 234 CO -0.04 1.04 0.00 0.52 -0.62 0.00 0.00 178.44 179.34