#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s PRO 4 N 0.00 3.15 0.30 -1.08 0.04 -1.26 -5.14 135.00 131.02 3mka s PRO 4 Ca 0.00 -0.44 0.07 0.00 0.04 0.00 0.00 61.00 60.67 3mka s PRO 4 Cb 0.00 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 3mka s PRO 4 CO 0.00 0.66 0.30 0.71 0.04 0.00 0.00 177.00 178.71 3mka s TYR 5 N -1.20 3.06 -0.52 0.56 1.51 -1.26 -5.08 117.35 114.42 3mka s TYR 5 Ca 0.23 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 56.13 3mka s TYR 5 Cb -0.12 -1.69 0.17 0.00 -0.11 0.00 0.00 41.96 40.21 3mka s TYR 5 CO 0.14 0.28 0.40 -0.06 -1.11 0.00 0.00 175.55 175.20 3mka s PHE 6 N -2.20 2.00 1.33 2.71 0.08 -1.26 -5.14 117.98 115.51 3mka s PHE 6 Ca 0.38 -2.70 -0.19 0.00 0.12 0.00 0.00 56.93 54.54 3mka s PHE 6 Cb -0.07 -1.57 0.34 0.00 -0.57 0.00 0.00 43.02 41.14 3mka s PHE 6 CO 0.27 -0.72 0.97 0.96 -0.10 0.00 0.00 175.22 176.60 3mka s ILE 7 N -0.50 1.50 0.42 0.64 -4.36 -1.26 -5.06 121.20 112.57 3mka s ILE 7 Ca 0.30 0.00 0.03 0.00 -0.26 0.00 0.00 60.65 60.72 3mka s ILE 7 Cb 0.01 -2.09 0.03 0.00 1.25 0.00 0.00 42.46 41.66 3mka s ILE 7 CO -0.19 0.00 0.27 -1.54 0.24 0.00 0.00 174.94 173.73 3mka n SER 8 N -5.36 2.44 0.07 4.36 3.41 -1.26 -4.87 113.62 112.40 3mka n SER 8 Ca 0.09 -2.48 -0.15 0.00 -0.26 0.00 0.00 58.87 56.07 3mka n SER 8 Cb 0.58 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 3mka n SER 8 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3mka h PRO 9 N 0.00 -0.62 -0.67 4.33 0.11 -1.99 0.82 132.00 133.98 3mka h PRO 9 Ca -0.27 0.04 0.14 0.00 0.11 0.00 0.00 66.00 66.02 3mka h PRO 9 Cb 0.98 0.14 -0.12 0.00 0.11 0.00 0.00 31.00 32.11 3mka h PRO 9 CO 0.43 -0.42 -0.07 0.93 -0.21 0.00 0.00 178.00 178.67 3mka h GLU 10 N -0.65 0.06 0.41 1.05 4.39 -1.99 -0.76 114.58 117.09 3mka h GLU 10 Ca 0.03 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3mka h GLU 10 Cb 0.70 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3mka h GLU 10 CO -0.33 0.04 -0.20 1.96 -1.16 0.00 0.00 179.01 179.32 3mka h GLN 11 N 0.06 -0.53 -0.58 2.33 4.20 -1.81 -1.56 115.11 117.21 3mka h GLN 11 Ca 0.34 0.04 0.12 0.00 0.06 0.00 0.00 58.65 59.21 3mka h GLN 11 Cb 0.56 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 3mka h GLN 11 CO -0.63 -0.27 -0.08 0.00 -0.67 0.00 0.00 178.83 177.19 3mka h ALA 12 N -0.22 0.47 -0.45 3.87 0.00 -0.59 1.23 119.26 123.58 3mka h ALA 12 Ca -0.06 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3mka h ALA 12 Cb 0.51 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 3mka h ALA 12 CO 0.09 -0.42 -0.18 1.98 0.00 0.00 0.00 179.25 180.73 3mka h MET 13 N 0.05 -0.08 -0.24 0.00 -1.53 -1.00 0.44 114.93 112.57 3mka h MET 13 Ca 0.29 0.01 -0.16 0.00 -3.44 0.00 0.00 59.70 56.40 3mka h MET 13 Cb 0.46 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 3mka h MET 13 CO -0.55 -0.05 -0.49 -0.09 0.14 0.00 0.00 176.91 175.87 3mka h ARG 14 N -0.08 0.66 -0.16 0.39 9.65 0.33 -2.39 114.38 122.77 3mka h ARG 14 Ca 0.22 -0.38 -0.04 0.00 -1.10 0.00 0.00 59.98 58.68 3mka h ARG 14 Cb 0.42 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.03 3mka h ARG 14 CO -0.51 1.00 -0.05 0.93 2.80 0.00 0.00 179.97 184.13 3mka h GLU 15 N 0.52 0.32 0.48 0.20 5.08 0.21 -1.65 114.58 119.74 3mka h GLU 15 Ca 0.02 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3mka h GLU 15 Cb 1.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3mka h GLU 15 CO 0.10 0.61 -0.23 0.00 -1.00 0.00 0.00 179.01 178.49 3mka h ARG 16 N 0.01 -0.63 -1.06 2.33 3.08 -1.02 -0.40 114.38 116.70 3mka h ARG 16 Ca 0.04 0.04 0.28 0.00 0.07 0.00 0.00 59.98 60.41 3mka h ARG 16 Cb 0.50 0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.60 3mka h ARG 16 CO 0.02 -0.41 0.69 1.03 -1.07 0.00 0.00 179.97 180.22 3mka h SER 17 N -0.66 0.41 -0.00 7.04 0.87 -1.41 -0.74 113.55 119.05 3mka h SER 17 Ca -0.07 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 3mka h SER 17 Cb 0.50 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3mka h SER 17 CO 0.11 0.07 -0.25 -0.33 -0.53 0.00 0.00 176.83 175.90 3mka h GLU 18 N 0.35 0.17 -0.95 2.24 4.39 -0.72 -1.15 114.58 118.92 3mka h GLU 18 Ca 0.60 -0.18 0.16 0.00 0.34 0.00 0.00 59.36 60.28 3mka h GLU 18 Cb 1.60 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 30.20 3mka h GLU 18 CO -0.28 0.92 0.56 1.25 -1.16 0.00 0.00 179.01 180.29 3mka h LEU 19 N -0.49 0.73 0.34 1.33 6.46 -0.39 0.15 115.31 123.45 3mka h LEU 19 Ca -0.03 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3mka h LEU 19 Cb 1.00 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 3mka h LEU 19 CO 0.05 0.31 -0.16 0.00 -0.62 0.00 0.00 178.44 178.01 3mka h ALA 20 N 1.59 -0.46 -0.99 1.25 0.00 -1.16 -2.94 119.26 116.54 3mka h ALA 20 Ca 0.52 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.56 3mka h ALA 20 Cb 0.72 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3mka h ALA 20 CO -0.35 -0.44 0.67 -0.09 0.00 0.00 0.00 179.25 179.04 3mka h ARG 21 N -1.09 0.24 0.27 0.00 2.43 -0.74 -1.99 114.38 113.49 3mka h ARG 21 Ca -0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3mka h ARG 21 Cb 0.41 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3mka h ARG 21 CO 0.08 0.16 -0.13 0.87 -1.51 0.00 0.00 179.97 179.43 3mka h LYS 22 N 0.24 -0.35 -1.01 0.20 1.57 -0.77 -1.80 116.57 114.66 3mka h LYS 22 Ca 0.52 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 59.58 3mka h LYS 22 Cb 1.59 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 33.86 3mka h LYS 22 CO -0.15 0.00 0.61 0.78 -0.57 0.00 0.00 179.45 180.12 3mka h GLY 23 N -0.89 1.83 0.41 3.86 0.00 -1.22 0.29 103.07 107.34 3mka h GLY 23 Ca -0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3mka h GLY 23 CO 0.06 -0.25 -0.05 -2.22 0.00 0.00 0.00 176.54 174.09 3mka h ILE 24 N 0.54 1.12 -0.74 2.60 2.04 -1.39 -3.17 117.51 118.51 3mka h ILE 24 Ca 0.65 -1.20 0.21 0.00 1.00 0.00 0.00 64.86 65.52 3mka h ILE 24 Cb 1.30 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 39.18 3mka h ILE 24 CO -0.46 0.27 0.53 0.00 0.00 0.00 0.00 178.15 178.50 3mka h ALA 25 N 0.03 2.69 -0.18 1.87 0.00 -0.31 -0.29 119.26 123.07 3mka h ALA 25 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mka h ALA 25 Cb 0.55 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3mka h ALA 25 CO 0.02 -0.90 0.00 -2.13 0.00 0.00 0.00 179.25 176.24 3mka n ARG 26 N -4.32 1.73 -4.45 0.00 0.63 -0.03 -3.22 116.66 107.00 3mka n ARG 26 Ca 0.15 -0.78 -0.26 0.00 -0.92 0.00 0.00 57.85 56.04 3mka n ARG 26 Cb 0.81 -1.41 -0.10 0.00 0.45 0.00 0.00 32.46 32.21 3mka n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mka s ALA 27 N -1.61 3.17 0.96 5.13 0.00 -0.19 -4.91 121.76 124.31 3mka s ALA 27 Ca 0.14 -2.11 -0.13 0.00 0.00 0.00 0.00 51.96 49.86 3mka s ALA 27 Cb 0.09 -0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.14 3mka s ALA 27 CO 0.07 -0.01 0.53 1.63 0.00 0.00 0.00 175.76 177.98 3mka n LYS 28 N -0.95 -0.48 -4.19 0.00 4.01 -1.26 -0.53 118.16 114.76 3mka n LYS 28 Ca -0.04 -0.10 -0.26 0.00 -0.51 0.00 0.00 58.31 57.41 3mka n LYS 28 Cb 0.64 -1.95 -0.07 0.00 -0.51 0.00 0.00 35.03 33.14 3mka n LYS 28 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3mka s SER 29 N -2.13 4.92 0.01 4.39 0.01 -1.26 -3.88 113.70 115.77 3mka s SER 29 Ca 0.59 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.48 3mka s SER 29 Cb -0.21 -1.09 -0.01 0.00 0.21 0.00 0.00 66.02 64.92 3mka s SER 29 CO 0.66 0.06 -0.03 -0.69 0.41 0.00 0.00 173.24 173.65 3mka s VAL 30 N -1.86 0.18 0.05 3.43 1.01 0.58 -1.64 120.40 122.15 3mka s VAL 30 Ca 0.29 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3mka s VAL 30 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 3mka s VAL 30 CO 0.20 -0.23 -0.10 0.68 0.00 0.00 0.00 175.10 175.64 3mka s VAL 31 N -0.79 0.79 -0.03 2.92 -7.23 0.92 -1.26 120.40 115.72 3mka s VAL 31 Ca -0.07 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 3mka s VAL 31 Cb -0.06 -0.79 0.03 0.00 0.56 0.00 0.00 36.38 36.12 3mka s VAL 31 CO -0.00 -0.26 0.03 0.00 -0.31 0.00 0.00 175.10 174.56 3mka s ALA 32 N -1.21 0.21 0.02 1.32 0.00 -0.38 -1.27 121.76 120.45 3mka s ALA 32 Ca -0.05 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.13 3mka s ALA 32 Cb -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3mka s ALA 32 CO 0.01 -0.25 -0.05 -0.48 0.00 0.00 0.00 175.76 174.99 3mka s LEU 33 N 1.49 2.13 0.40 0.00 0.05 -0.75 -0.23 118.68 121.78 3mka s LEU 33 Ca -0.04 -0.31 -0.24 0.00 0.05 0.00 0.00 54.13 53.59 3mka s LEU 33 Cb -0.13 -0.10 -0.09 0.00 -2.05 0.00 0.00 46.19 43.82 3mka s LEU 33 CO -0.03 -0.11 1.09 0.00 -0.55 0.00 0.00 176.35 176.75 3mka s ALA 34 N -0.78 3.10 0.25 1.48 0.00 0.32 -1.78 121.76 124.35 3mka s ALA 34 Ca -0.06 0.80 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 3mka s ALA 34 Cb -0.06 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3mka s ALA 34 CO -0.00 -0.34 0.57 1.52 0.00 0.00 0.00 175.76 177.51 3mka s TYR 35 N -1.56 0.08 0.33 0.00 -0.85 0.34 -4.57 117.35 111.12 3mka s TYR 35 Ca 0.58 -0.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.66 3mka s TYR 35 Cb -0.25 0.41 0.58 0.00 0.38 0.00 0.00 41.96 43.08 3mka s TYR 35 CO 0.32 -1.07 1.98 0.00 -1.52 0.00 0.00 175.55 175.26 3mka h ALA 36 N 2.15 1.52 0.00 9.51 0.00 -1.76 0.62 119.26 131.31 3mka h ALA 36 Ca -0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3mka h ALA 36 Cb 1.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3mka h ALA 36 CO 0.31 0.42 -0.08 0.78 0.00 0.00 0.00 179.25 180.69 3mka h GLY 37 N 0.94 0.00 0.00 0.00 0.00 -1.90 -3.48 103.07 98.63 3mka h GLY 37 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3mka h GLY 37 CO -0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.08 3mka n GLY 38 N -0.83 0.98 3.17 4.60 0.00 0.22 -3.19 105.19 110.14 3mka n GLY 38 Ca -0.02 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 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 1.53 -0.04 1.61 1.01 -1.13 0.13 120.40 123.50 3mka s VAL 39 Ca 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.23 3mka s VAL 39 Cb 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3mka s VAL 39 CO 0.00 0.44 -0.18 -0.22 0.00 0.00 0.00 175.10 175.13 3mka s LEU 40 N -0.18 2.51 -0.18 3.92 2.96 -0.73 -1.35 118.68 125.63 3mka s LEU 40 Ca 0.01 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3mka s LEU 40 Cb -0.10 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.13 3mka s LEU 40 CO 0.01 0.33 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.83 3mka s PHE 41 N -0.66 2.70 -0.05 5.38 0.08 0.09 -1.81 117.98 123.71 3mka s PHE 41 Ca 0.10 -1.62 0.02 0.00 0.12 0.00 0.00 56.93 55.55 3mka s PHE 41 Cb -0.11 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 3mka s PHE 41 CO 0.00 -0.79 -0.08 0.08 -0.10 0.00 0.00 175.22 174.33 3mka s VAL 42 N 1.32 0.79 -0.01 -0.44 1.01 -0.40 -2.07 120.40 120.59 3mka s VAL 42 Ca 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 3mka s VAL 42 Cb -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3mka s VAL 42 CO -0.12 0.27 0.04 0.00 0.00 0.00 0.00 175.10 175.29 3mka s ALA 43 N 0.65 -0.10 -0.16 5.51 0.00 -0.55 -0.06 121.76 127.05 3mka s ALA 43 Ca -0.11 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.60 3mka s ALA 43 Cb -0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3mka s ALA 43 CO 0.01 -0.05 1.16 -1.83 0.00 0.00 0.00 175.76 175.06 3mka s GLU 44 N -0.22 4.28 -0.25 0.00 -1.05 -0.65 -1.10 118.70 119.70 3mka s GLU 44 Ca -0.03 1.55 -0.02 0.00 -0.15 0.00 0.00 54.97 56.32 3mka s GLU 44 Cb -0.02 -3.67 0.14 0.00 -0.44 0.00 0.00 34.13 30.14 3mka s GLU 44 CO 0.00 -0.60 0.37 1.21 0.95 0.00 0.00 175.26 177.19 3mka s ASN 45 N 1.58 0.40 0.14 0.83 3.84 0.23 -4.47 114.94 117.47 3mka s ASN 45 Ca 0.51 0.04 -0.14 0.00 0.21 0.00 0.00 52.86 53.48 3mka s ASN 45 Cb -0.20 1.05 0.00 0.00 -0.55 0.00 0.00 41.25 41.55 3mka s ASN 45 CO 0.14 -0.32 1.61 1.55 -2.79 0.00 0.00 177.10 177.29 3mka h PRO 46 N 8.19 0.75 -7.13 0.43 0.13 -1.83 -3.31 132.00 129.24 3mka h PRO 46 Ca -0.17 -0.21 -0.52 0.00 -0.87 0.00 0.00 66.00 64.22 3mka h PRO 46 Cb 1.14 -0.08 0.11 0.00 0.13 0.00 0.00 31.00 32.31 3mka h PRO 46 CO 0.28 0.79 0.44 0.45 -0.23 0.00 0.00 178.00 179.72 3mka s SER 47 N -6.19 5.04 -0.01 1.44 0.15 -1.26 -4.74 113.70 108.14 3mka s SER 47 Ca -0.13 2.30 0.19 0.00 0.70 0.00 0.00 55.95 59.01 3mka s SER 47 Cb 0.11 -2.59 -0.24 0.00 -1.71 0.00 0.00 66.02 61.59 3mka s SER 47 CO 0.80 -1.69 0.64 -1.14 1.20 0.00 0.00 173.24 173.05 3mka n ARG 48 N -1.91 0.73 -0.03 5.44 0.63 -1.26 -4.58 116.66 115.68 3mka n ARG 48 Ca 0.13 -0.07 0.03 0.00 -0.92 0.00 0.00 57.85 57.02 3mka n ARG 48 Cb 0.50 -1.41 -0.13 0.00 0.45 0.00 0.00 32.46 31.87 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 -1.74 1.06 -4.42 6.15 7.64 -1.26 -4.94 113.62 116.11 3mka n SER 49 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.48 3mka n SER 49 Cb 0.38 1.49 -0.11 0.00 -1.01 0.00 0.00 64.21 64.96 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 -4.53 4.74 0.53 -3.43 1.43 -1.26 -5.08 118.68 111.08 3mka s LEU 50 Ca -0.07 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 3mka s LEU 50 Cb 0.09 -2.06 -0.07 0.00 0.03 0.00 0.00 46.19 44.17 3mka s LEU 50 CO 0.70 -0.37 0.99 0.00 0.23 0.00 0.00 176.35 177.90 3mka s GLN 51 N 1.60 3.88 0.00 1.70 -2.07 -1.26 -4.88 119.66 118.63 3mka s GLN 51 Ca 0.03 0.94 0.00 0.00 -1.82 0.00 0.00 55.36 54.52 3mka s GLN 51 Cb -0.19 -2.12 0.00 0.00 -1.09 0.00 0.00 33.01 29.61 3mka s GLN 51 CO 0.08 -0.33 0.05 1.63 -1.32 0.00 0.00 175.29 175.39 3mka n LYS 52 N -1.73 1.76 -4.55 9.60 5.02 -1.26 -5.01 118.16 121.99 3mka n LYS 52 Ca 0.07 -0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 3mka n LYS 52 Cb 0.54 -0.30 -0.17 0.00 -0.02 0.00 0.00 35.03 35.08 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 -0.26 1.12 0.22 -0.18 1.01 -1.26 -0.91 121.20 120.93 3mka s ILE 53 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 3mka s ILE 53 Cb 0.00 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 3mka s ILE 53 CO 0.00 0.35 0.32 -0.44 0.00 0.00 0.00 174.94 175.18 3mka s SER 54 N 0.72 0.02 0.04 3.58 0.01 0.91 -5.01 113.70 113.97 3mka s SER 54 Ca -0.14 -1.10 -0.19 0.00 1.31 0.00 0.00 55.95 55.84 3mka s SER 54 Cb -0.16 0.49 -0.06 0.00 0.21 0.00 0.00 66.02 66.50 3mka s SER 54 CO 0.03 -1.00 0.54 -0.70 0.41 0.00 0.00 173.24 172.52 3mka s GLU 55 N -4.07 4.17 -0.18 12.44 2.12 -1.26 -0.85 118.70 131.08 3mka s GLU 55 Ca 0.28 0.66 -0.12 0.00 0.36 0.00 0.00 54.97 56.16 3mka s GLU 55 Cb 0.03 -3.26 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 3mka s GLU 55 CO 0.09 0.58 -0.27 1.28 -0.54 0.00 0.00 175.26 176.40 3mka n LEU 56 N 2.00 1.56 0.00 2.70 4.77 0.06 -4.86 117.00 123.24 3mka n LEU 56 Ca -0.10 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 3mka n LEU 56 Cb 0.51 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3mka n LEU 56 CO 0.41 0.17 0.02 0.00 -1.33 0.00 0.00 177.39 176.66 3mka n TYR 57 N -4.03 -0.58 -0.33 -1.77 9.36 -0.85 -4.74 117.16 114.21 3mka n TYR 57 Ca -0.31 -0.92 -0.10 0.00 3.32 0.00 0.00 57.90 59.89 3mka n TYR 57 Cb 0.66 0.16 -0.09 0.00 -0.63 0.00 0.00 39.34 39.45 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 0.72 -1.86 -0.25 2.98 3.32 -1.95 -2.83 116.42 116.56 3mka h ASP 58 Ca -0.09 0.28 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 3mka h ASP 58 Cb 0.43 0.81 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 3mka h ASP 58 CO 0.13 -0.22 -0.08 0.54 -1.72 0.00 0.00 179.24 177.89 3mka n ARG 59 N -4.97 2.07 -3.95 3.56 5.12 -1.26 -1.21 116.66 116.02 3mka n ARG 59 Ca 0.01 -3.02 -0.26 0.00 -1.93 0.00 0.00 57.85 52.66 3mka n ARG 59 Cb 0.24 -1.77 -0.17 0.00 -1.16 0.00 0.00 32.46 29.60 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 -3.08 0.93 0.30 1.55 1.01 -1.07 -1.78 120.40 118.26 3mka s VAL 60 Ca 0.42 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.24 3mka s VAL 60 Cb 0.37 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3mka s VAL 60 CO 0.02 0.35 0.14 -0.83 0.00 0.00 0.00 175.10 174.78 3mka s GLY 61 N 1.64 1.71 -0.02 4.51 0.00 0.16 -0.76 107.32 114.55 3mka s GLY 61 Ca 0.03 -1.65 0.02 0.00 0.00 0.00 0.00 44.72 43.12 3mka s GLY 61 CO -0.07 -1.65 -0.07 -0.12 0.00 0.00 0.00 173.10 171.19 3mka s PHE 62 N -2.31 0.81 -0.00 1.90 5.36 -0.03 -0.51 117.98 123.21 3mka s PHE 62 Ca 0.35 -0.19 -0.00 0.00 -0.96 0.00 0.00 56.93 56.13 3mka s PHE 62 Cb -0.05 -0.59 0.00 0.00 -0.34 0.00 0.00 43.02 42.03 3mka s PHE 62 CO 0.23 -0.09 0.01 0.00 -1.46 0.00 0.00 175.22 173.91 3mka s ALA 63 N 0.24 -0.01 0.09 11.12 0.00 -0.48 -0.06 121.76 132.65 3mka s ALA 63 Ca -0.03 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 3mka s ALA 63 Cb -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3mka s ALA 63 CO 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 175.76 175.91 3mka s ALA 64 N 0.03 0.02 -0.01 0.00 0.00 -0.09 -0.37 121.76 121.35 3mka s ALA 64 Ca -0.00 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3mka s ALA 64 Cb -0.00 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.64 3mka s ALA 64 CO -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 175.76 175.24 3mka s ALA 65 N -3.90 0.23 0.00 0.00 0.00 -0.64 -4.85 121.76 112.60 3mka s ALA 65 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3mka s ALA 65 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3mka s ALA 65 CO -0.08 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3mka n GLY 66 N 3.18 0.69 3.66 0.00 0.00 -1.26 -1.02 105.19 110.44 3mka n GLY 66 Ca -0.15 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.00 4.24 0.08 1.61 2.20 -0.15 -4.92 119.74 120.80 3mka s LYS 67 Ca 0.00 1.69 -0.29 0.00 -0.36 0.00 0.00 55.97 57.01 3mka s LYS 67 Cb 0.00 -3.76 -0.12 0.00 -1.51 0.00 0.00 37.83 32.44 3mka s LYS 67 CO 0.00 -0.69 1.46 0.35 -0.36 0.00 0.00 175.35 176.10 3mka h PHE 68 N 8.20 -1.27 -1.03 4.03 3.57 -1.96 -1.70 116.94 126.78 3mka h PHE 68 Ca -0.28 0.03 0.30 0.00 3.53 0.00 0.00 57.97 61.56 3mka h PHE 68 Cb 1.11 0.54 -0.04 0.00 2.79 0.00 0.00 35.95 40.35 3mka h PHE 68 CO 0.80 -0.50 0.74 -2.95 -2.23 0.00 0.00 178.31 174.17 3mka h ASN 69 N -0.63 0.00 0.39 0.41 7.08 -1.99 0.80 115.58 121.63 3mka h ASN 69 Ca -0.01 0.00 -0.29 0.00 -3.08 0.00 0.00 56.30 52.92 3mka h ASN 69 Cb 0.63 -0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.89 3mka h ASN 69 CO -0.23 0.00 -1.29 -0.33 -2.08 0.00 0.00 177.43 173.51 3mka h GLU 70 N 0.00 0.44 0.00 4.14 5.08 -1.74 -3.07 114.58 119.43 3mka h GLU 70 Ca 0.49 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3mka h GLU 70 Cb 1.97 0.24 0.00 0.00 0.50 0.00 0.00 28.75 31.46 3mka h GLU 70 CO -0.01 1.31 -0.61 1.97 -1.00 0.00 0.00 179.01 180.67 3mka n PHE 71 N -3.67 0.46 -0.08 4.33 1.16 -0.40 -2.91 117.46 116.37 3mka n PHE 71 Ca -0.12 0.14 -0.14 0.00 -1.87 0.00 0.00 57.45 55.45 3mka n PHE 71 Cb 1.02 -0.59 -0.05 0.00 -1.61 0.00 0.00 39.48 38.25 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 0.85 -0.49 5.98 3.58 -1.00 -1.34 116.42 123.99 3mka h ASP 72 Ca 0.00 -0.53 0.07 0.00 0.42 0.00 0.00 57.03 57.00 3mka h ASP 72 Cb 0.71 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 3mka h ASP 72 CO 0.00 1.21 0.14 -1.13 -2.88 0.00 0.00 179.24 176.59 3mka h ASN 73 N 0.51 0.10 1.32 2.28 -0.73 -1.55 -0.10 115.58 117.40 3mka h ASN 73 Ca 0.02 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 3mka h ASN 73 Cb 1.05 0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.71 3mka h ASN 73 CO 0.10 0.08 -0.04 -0.07 -0.37 0.00 0.00 177.43 177.13 3mka h LEU 74 N 0.30 0.00 -0.03 0.34 4.07 -1.38 -2.52 115.31 116.10 3mka h LEU 74 Ca 0.24 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 3mka h LEU 74 Cb 0.29 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.04 3mka h LEU 74 CO -0.28 0.04 -0.34 -0.09 -1.08 0.00 0.00 178.44 176.69 3mka h ARG 75 N 0.00 0.28 -0.03 1.13 2.43 0.09 -2.54 114.38 115.73 3mka h ARG 75 Ca -0.00 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3mka h ARG 75 Cb 0.72 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 3mka h ARG 75 CO 0.01 0.95 -0.11 0.00 -1.51 0.00 0.00 179.97 179.31 3mka h ARG 76 N -0.30 -0.16 0.00 0.20 3.08 -1.07 -1.36 114.38 114.77 3mka h ARG 76 Ca -0.04 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3mka h ARG 76 Cb 1.05 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 3mka h ARG 76 CO 0.07 -0.11 -0.06 0.78 -1.07 0.00 0.00 179.97 179.58 3mka h GLY 77 N -0.17 0.00 1.68 0.04 0.00 -1.51 -0.27 103.07 102.85 3mka h GLY 77 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.13 3mka h GLY 77 CO -0.13 0.00 -1.12 -1.33 0.00 0.00 0.00 176.54 173.96 3mka h GLY 78 N 0.53 0.29 1.00 4.60 0.00 -0.90 -1.83 103.07 106.77 3mka h GLY 78 Ca -0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 3mka h GLY 78 CO 0.01 0.58 0.03 -2.22 0.00 0.00 0.00 176.54 174.94 3mka h ILE 79 N 0.09 1.26 -0.78 2.60 2.04 -0.13 -0.17 117.51 122.42 3mka h ILE 79 Ca -0.10 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 3mka h ILE 79 Cb 1.83 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 3mka h ILE 79 CO 0.18 0.36 0.34 1.56 0.00 0.00 0.00 178.15 180.59 3mka h GLN 80 N 0.73 1.14 -0.38 2.37 4.20 -1.01 -0.77 115.11 121.40 3mka h GLN 80 Ca 0.15 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3mka h GLN 80 Cb 0.47 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3mka h GLN 80 CO 0.02 0.91 -0.16 0.35 -0.67 0.00 0.00 178.83 179.27 3mka h PHE 81 N 1.13 0.89 -0.17 2.96 3.57 -1.05 -1.98 116.94 122.28 3mka h PHE 81 Ca 0.27 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3mka h PHE 81 Cb 0.17 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3mka h PHE 81 CO 0.02 0.95 -0.11 0.00 -2.23 0.00 0.00 178.31 176.94 3mka h ALA 82 N 0.81 0.24 -0.57 2.41 0.00 -0.77 -1.90 119.26 119.48 3mka h ALA 82 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mka h ALA 82 Cb 0.70 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3mka h ALA 82 CO 0.05 0.08 0.37 -0.44 0.00 0.00 0.00 179.25 179.31 3mka h ASP 83 N 0.03 0.66 -0.69 0.00 3.32 -1.20 -0.95 116.42 117.59 3mka h ASP 83 Ca 0.03 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3mka h ASP 83 Cb 0.61 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3mka h ASP 83 CO 0.03 0.48 0.29 0.74 -1.72 0.00 0.00 179.24 179.06 3mka h THR 84 N 0.77 1.24 0.00 0.35 2.02 -1.32 -1.12 112.91 114.86 3mka h THR 84 Ca 0.21 -0.74 -0.14 0.00 0.77 0.00 0.00 66.41 66.51 3mka h THR 84 Cb -0.08 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3mka h THR 84 CO -0.04 0.30 -0.68 0.03 0.37 0.00 0.00 175.52 175.49 3mka h ARG 85 N 0.98 0.00 0.00 6.66 2.47 -1.10 -1.79 114.38 121.60 3mka h ARG 85 Ca 0.23 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.87 3mka h ARG 85 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3mka h ARG 85 CO -0.02 0.68 -0.39 0.78 0.56 0.00 0.00 179.97 181.58 3mka h GLY 86 N 2.11 0.00 0.53 0.04 0.00 -0.77 -1.90 103.07 103.08 3mka h GLY 86 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3mka h GLY 86 CO 0.09 0.00 -0.77 -1.82 0.00 0.00 0.00 176.54 174.04 3mka h TYR 87 N 0.00 0.42 0.00 5.60 3.20 -1.02 -3.04 116.97 122.13 3mka h TYR 87 Ca -0.00 -0.31 -0.05 0.00 3.14 0.00 0.00 58.73 61.51 3mka h TYR 87 Cb 0.90 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 3mka h TYR 87 CO 0.00 1.30 -0.23 0.00 -1.64 0.00 0.00 178.16 177.59 3mka h ALA 88 N 0.03 1.27 -3.00 1.82 0.00 -1.26 -3.43 119.26 114.69 3mka h ALA 88 Ca -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3mka h ALA 88 Cb 1.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3mka h ALA 88 CO 0.10 0.28 0.00 0.66 0.00 0.00 0.00 179.25 180.29 3mka n TYR 89 N -3.76 0.00 -4.05 0.00 4.01 -0.72 -5.09 117.16 107.55 3mka n TYR 89 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 3mka n TYR 89 Cb 0.33 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.58 0.38 7.72 2.15 -1.19 -4.92 116.67 122.41 3mka s ASP 90 Ca 0.00 -0.65 0.20 0.00 0.43 0.00 0.00 52.55 52.52 3mka s ASP 90 Cb 0.00 0.09 1.18 0.00 -0.30 0.00 0.00 42.92 43.89 3mka s ASP 90 CO 0.00 -0.33 1.69 0.03 -0.17 0.00 0.00 175.17 176.38 3mka h ARG 91 N 4.17 0.28 0.00 4.34 3.08 -1.86 0.22 114.38 124.62 3mka h ARG 91 Ca -0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3mka h ARG 91 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3mka h ARG 91 CO 0.48 0.19 0.00 -2.13 -1.07 0.00 0.00 179.97 177.43 3mka n ARG 92 N -4.81 0.33 0.00 0.04 3.00 -1.26 -2.62 116.66 111.34 3mka n ARG 92 Ca 0.31 0.09 0.11 0.00 -0.00 0.00 0.00 57.85 58.36 3mka n ARG 92 Cb 1.07 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 32.07 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 -1.20 0.78 -4.67 6.15 8.00 0.79 -4.88 116.55 121.52 3mka n ASP 93 Ca 0.09 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.51 3mka n ASP 93 Cb 0.11 0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 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 -3.00 4.80 0.24 2.53 1.01 -1.08 -5.02 120.40 119.89 3mka s VAL 94 Ca 0.09 1.86 0.09 0.00 0.00 0.00 0.00 61.98 64.03 3mka s VAL 94 Cb 0.17 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 3mka s VAL 94 CO 0.79 -0.03 -0.16 0.42 0.00 0.00 0.00 175.10 176.12 3mka s THR 95 N 2.35 2.04 0.16 3.92 -4.23 -1.26 -5.02 115.64 113.61 3mka s THR 95 Ca 0.43 -2.29 -0.10 0.00 -1.18 0.00 0.00 61.69 58.55 3mka s THR 95 Cb -0.17 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.50 3mka s THR 95 CO 0.13 -0.49 1.56 1.23 -0.54 0.00 0.00 174.62 176.51 3mka h GLY 96 N 2.41 1.09 0.21 3.99 0.00 -1.92 -2.67 103.07 106.18 3mka h GLY 96 Ca -0.39 -0.93 0.15 0.00 0.00 0.00 0.00 47.33 46.15 3mka h GLY 96 CO 0.62 0.85 0.41 -0.09 0.00 0.00 0.00 176.54 178.32 3mka h ARG 97 N 0.87 0.56 -0.36 4.80 2.43 -1.95 -0.99 114.38 119.74 3mka h ARG 97 Ca 0.12 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3mka h ARG 97 Cb 0.75 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3mka h ARG 97 CO 0.06 0.37 -0.05 1.96 -1.51 0.00 0.00 179.97 180.80 3mka h GLN 98 N 0.58 0.67 -0.60 0.20 4.20 -1.91 -1.42 115.11 116.84 3mka h GLN 98 Ca 0.45 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 3mka h GLN 98 Cb 0.65 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3mka h GLN 98 CO -0.37 0.81 0.26 -0.07 -0.67 0.00 0.00 178.83 178.79 3mka h LEU 99 N 0.48 0.78 -0.12 1.46 -0.00 -1.08 -1.92 115.31 114.91 3mka h LEU 99 Ca 0.10 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 3mka h LEU 99 Cb 0.54 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 3mka h LEU 99 CO 0.03 0.68 -0.01 0.00 -0.00 0.00 0.00 178.44 179.14 3mka h ALA 100 N 1.44 0.16 -0.89 1.53 0.00 -1.03 -1.76 119.26 118.70 3mka h ALA 100 Ca 0.21 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3mka h ALA 100 Cb 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3mka h ALA 100 CO -0.02 -0.13 0.57 -0.97 0.00 0.00 0.00 179.25 178.70 3mka h ASN 101 N -0.07 0.77 -0.22 0.00 -0.73 -1.05 0.02 115.58 114.29 3mka h ASN 101 Ca 0.03 0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.15 3mka h ASN 101 Cb 0.39 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.84 3mka h ASN 101 CO 0.01 0.44 -0.18 0.58 -0.37 0.00 0.00 177.43 177.90 3mka h VAL 102 N 0.84 1.32 -0.71 2.57 2.07 -1.15 -2.30 116.25 118.89 3mka h VAL 102 Ca 0.42 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 3mka h VAL 102 Cb 0.48 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3mka h VAL 102 CO -0.19 0.41 0.31 1.88 0.02 0.00 0.00 177.57 180.00 3mka h TYR 103 N 0.21 1.03 -0.00 1.57 0.05 -0.62 0.37 116.97 119.57 3mka h TYR 103 Ca 0.04 -0.06 0.02 0.00 0.05 0.00 0.00 58.73 58.78 3mka h TYR 103 Cb 0.72 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 3mka h TYR 103 CO 0.07 0.77 -0.09 0.00 -1.05 0.00 0.00 178.16 177.87 3mka h ALA 104 N 1.32 -0.09 -0.93 3.88 0.00 -0.93 0.15 119.26 122.66 3mka h ALA 104 Ca 0.24 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3mka h ALA 104 Cb 0.15 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3mka h ALA 104 CO -0.03 -0.58 0.61 0.37 0.00 0.00 0.00 179.25 179.63 3mka h GLN 105 N -0.15 1.20 0.10 0.00 5.75 -0.95 -0.09 115.11 120.98 3mka h GLN 105 Ca 0.04 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3mka h GLN 105 Cb 0.20 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.47 3mka h GLN 105 CO -0.09 0.80 -0.05 1.15 -2.65 0.00 0.00 178.83 177.99 3mka h THR 106 N 1.24 1.12 -0.57 2.39 2.02 -0.35 -1.87 112.91 116.88 3mka h THR 106 Ca 0.34 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 3mka h THR 106 Cb -0.12 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 3mka h THR 106 CO -0.08 0.21 0.26 -0.07 0.37 0.00 0.00 175.52 176.21 3mka h LEU 107 N -0.54 0.76 -1.05 2.58 3.38 -0.66 0.31 115.31 120.09 3mka h LEU 107 Ca -0.01 -0.14 0.17 0.00 0.09 0.00 0.00 57.88 57.98 3mka h LEU 107 Cb 0.45 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 3mka h LEU 107 CO 0.02 0.69 0.62 1.23 0.09 0.00 0.00 178.44 181.09 3mka h GLY 108 N 0.78 1.67 1.02 0.83 0.00 -0.99 0.39 103.07 106.77 3mka h GLY 108 Ca 0.20 -0.37 -0.25 0.00 0.00 0.00 0.00 47.33 46.91 3mka h GLY 108 CO -0.02 0.01 -1.04 -0.84 0.00 0.00 0.00 176.54 174.64 3mka h THR 109 N 0.81 1.36 -0.50 4.70 2.02 -0.57 -2.95 112.91 117.79 3mka h THR 109 Ca 0.55 -2.42 0.02 0.00 0.77 0.00 0.00 66.41 65.32 3mka h THR 109 Cb 0.79 2.82 -0.03 0.00 -1.74 0.00 0.00 68.15 70.00 3mka h THR 109 CO -0.33 0.72 0.30 0.40 0.37 0.00 0.00 175.52 176.98 3mka h ILE 110 N 0.04 1.06 -0.73 3.11 2.04 -0.08 0.11 117.51 123.06 3mka h ILE 110 Ca -0.16 -0.21 0.12 0.00 1.00 0.00 0.00 64.86 65.61 3mka h ILE 110 Cb 1.76 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 38.17 3mka h ILE 110 CO 0.20 0.11 0.33 0.15 0.00 0.00 0.00 178.15 178.94 3mka h PHE 111 N 0.60 0.57 0.06 1.37 3.57 -0.30 -0.30 116.94 122.51 3mka h PHE 111 Ca 0.20 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.47 3mka h PHE 111 Cb 0.01 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3mka h PHE 111 CO -0.06 0.14 -1.25 1.15 -2.23 0.00 0.00 178.31 176.06 3mka h THR 112 N 0.52 1.46 0.00 4.41 2.02 -1.29 -3.42 112.91 116.60 3mka h THR 112 Ca 0.38 -3.13 -0.04 0.00 0.77 0.00 0.00 66.41 64.39 3mka h THR 112 Cb 0.50 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 3mka h THR 112 CO -0.34 0.87 -1.44 -0.62 0.37 0.00 0.00 175.52 174.36 3mka n GLU 113 N -3.39 0.90 -1.41 6.66 -0.58 0.35 -5.03 120.64 118.15 3mka n GLU 113 Ca -0.07 -0.06 -0.29 0.00 -0.42 0.00 0.00 57.16 56.32 3mka n GLU 113 Cb 0.99 -1.21 0.14 0.00 -0.57 0.00 0.00 31.44 30.80 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 -2.50 1.13 0.14 3.49 -1.52 -0.14 -4.95 119.66 115.31 3mka s GLN 114 Ca -0.03 0.47 -0.12 0.00 -1.95 0.00 0.00 55.36 53.72 3mka s GLN 114 Cb 0.05 -1.82 -0.02 0.00 -0.22 0.00 0.00 33.01 31.00 3mka s GLN 114 CO 0.36 -2.24 1.53 0.00 -0.25 0.00 0.00 175.29 174.68 3mka h ALA 115 N -1.54 0.61 -4.12 6.09 0.00 -1.96 -3.44 119.26 114.91 3mka h ALA 115 Ca -0.51 -0.36 -0.53 0.00 0.00 0.00 0.00 54.91 53.50 3mka h ALA 115 Cb 1.31 -0.15 -0.27 0.00 0.00 0.00 0.00 17.79 18.68 3mka h ALA 115 CO 0.60 0.55 -0.83 0.21 0.00 0.00 0.00 179.25 179.78 3mka s LYS 116 N -4.69 1.30 0.93 0.00 2.20 -1.26 -5.11 119.74 113.11 3mka s LYS 116 Ca -0.12 -0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 54.60 3mka s LYS 116 Cb 0.11 -1.31 0.19 0.00 -1.51 0.00 0.00 37.83 35.30 3mka s LYS 116 CO 0.85 0.35 1.28 -1.25 -0.36 0.00 0.00 175.35 176.22 3mka s PRO 117 N -0.80 0.82 -0.17 4.03 0.04 -1.26 -4.87 135.00 132.79 3mka s PRO 117 Ca 0.06 -0.44 -0.21 0.00 0.04 0.00 0.00 61.00 60.45 3mka s PRO 117 Cb -0.08 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 3mka s PRO 117 CO 0.00 -2.27 0.61 0.71 0.04 0.00 0.00 177.00 176.09 3mka s TYR 118 N -3.80 3.42 -1.38 0.56 1.51 -1.26 -4.94 117.35 111.46 3mka s TYR 118 Ca 0.73 0.95 -0.13 0.00 -1.01 0.00 0.00 57.07 57.61 3mka s TYR 118 Cb -0.04 -2.76 0.09 0.00 -0.11 0.00 0.00 41.96 39.14 3mka s TYR 118 CO 0.52 -0.09 2.03 0.39 -1.11 0.00 0.00 175.55 177.30 3mka n GLU 119 N 4.67 3.15 -3.75 -0.62 1.02 -1.26 -4.69 120.64 119.16 3mka n GLU 119 Ca -0.02 -3.02 -0.11 0.00 -0.02 0.00 0.00 57.16 53.99 3mka n GLU 119 Cb 0.50 -3.18 -0.07 0.00 -0.02 0.00 0.00 31.44 28.67 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 2.33 0.08 -0.01 2.62 -7.23 -1.26 -0.98 120.40 115.95 3mka s VAL 120 Ca 0.45 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 3mka s VAL 120 Cb 0.11 -0.99 -0.00 0.00 0.56 0.00 0.00 36.38 36.06 3mka s VAL 120 CO -0.04 -0.38 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.62 3mka s GLU 121 N -2.74 0.42 0.09 4.82 2.12 -0.19 -3.04 118.70 120.18 3mka s GLU 121 Ca -0.04 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.10 3mka s GLU 121 Cb -0.00 -0.41 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 3mka s GLU 121 CO -0.04 0.10 0.05 -0.48 -0.54 0.00 0.00 175.26 174.35 3mka s LEU 122 N -0.06 1.98 -0.07 2.70 0.05 -0.48 -1.62 118.68 121.17 3mka s LEU 122 Ca 0.01 -1.02 0.03 0.00 0.05 0.00 0.00 54.13 53.21 3mka s LEU 122 Cb -0.03 0.42 0.01 0.00 -2.05 0.00 0.00 46.19 44.54 3mka s LEU 122 CO -0.00 -0.69 -0.17 0.00 -0.55 0.00 0.00 176.35 174.94 3mka s VAL 124 N 0.44 2.51 0.05 0.00 1.01 -0.75 -1.39 120.40 122.27 3mka s VAL 124 Ca -0.14 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.14 3mka s VAL 124 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3mka s VAL 124 CO 0.05 0.50 -0.26 0.00 0.00 0.00 0.00 175.10 175.39 3mka s ALA 125 N 1.28 2.27 -0.06 5.51 0.00 0.33 -1.73 121.76 129.36 3mka s ALA 125 Ca 0.04 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 3mka s ALA 125 Cb -0.14 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.53 3mka s ALA 125 CO -0.08 0.54 -0.01 -2.00 0.00 0.00 0.00 175.76 174.21 3mka s GLU 126 N -1.25 0.57 0.46 0.00 2.12 -0.76 0.37 118.70 120.22 3mka s GLU 126 Ca 0.12 0.07 0.07 0.00 0.36 0.00 0.00 54.97 55.59 3mka s GLU 126 Cb -0.10 -0.84 0.02 0.00 0.26 0.00 0.00 34.13 33.47 3mka s GLU 126 CO 0.02 -0.23 0.63 0.14 -0.54 0.00 0.00 175.26 175.29 3mka s VAL 127 N 1.60 2.85 0.82 3.70 -7.23 -0.74 -1.59 120.40 119.81 3mka s VAL 127 Ca -0.01 -0.93 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 3mka s VAL 127 Cb -0.13 -2.92 0.08 0.00 0.56 0.00 0.00 36.38 33.97 3mka s VAL 127 CO -0.03 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 175.85 3mka s ALA 128 N -2.47 2.09 0.52 1.32 0.00 -1.26 -4.86 121.76 117.10 3mka s ALA 128 Ca 0.56 -0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 3mka s ALA 128 Cb -0.10 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 3mka s ALA 128 CO 0.35 -1.88 1.02 -1.01 0.00 0.00 0.00 175.76 174.23 3mka s HIS 129 N -3.11 3.17 -0.31 0.00 3.76 -1.26 -4.79 115.29 112.74 3mka s HIS 129 Ca 0.61 1.53 -0.42 0.00 -0.15 0.00 0.00 55.06 56.63 3mka s HIS 129 Cb -0.15 -2.94 -0.17 0.00 1.11 0.00 0.00 32.58 30.43 3mka s HIS 129 CO 0.55 -0.68 1.64 0.98 -0.85 0.00 0.00 174.74 176.37 3mka n TYR 130 N -1.42 1.86 0.00 1.40 9.36 -1.26 -0.25 117.16 126.85 3mka n TYR 130 Ca 0.08 0.76 0.00 0.00 3.32 0.00 0.00 57.90 62.06 3mka n TYR 130 Cb 0.53 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.88 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 3.90 2.92 3.82 2.98 0.00 -1.26 -5.04 105.19 112.51 3mka n GLY 131 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.11 1.07 -0.35 1.61 2.02 0.65 -5.04 118.70 118.56 3mka s GLU 132 Ca 0.00 0.12 -0.00 0.00 0.02 0.00 0.00 54.97 55.11 3mka s GLU 132 Cb 0.00 -1.85 0.12 0.00 0.10 0.00 0.00 34.13 32.50 3mka s GLU 132 CO 0.00 -2.21 0.16 0.95 0.02 0.00 0.00 175.26 174.18 3mka s THR 133 N -3.41 0.74 0.01 3.63 -4.23 -1.26 -4.78 115.64 106.33 3mka s THR 133 Ca 0.65 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 3mka s THR 133 Cb -0.12 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 3mka s THR 133 CO 0.52 -0.80 -0.08 -0.75 -0.54 0.00 0.00 174.62 172.98 3mka s LYS 134 N 1.25 0.60 0.13 3.99 2.20 -1.26 -5.11 119.74 121.55 3mka s LYS 134 Ca 0.13 -0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 55.05 3mka s LYS 134 Cb -0.20 -0.56 -0.08 0.00 -1.51 0.00 0.00 37.83 35.48 3mka s LYS 134 CO -0.15 0.15 1.43 1.03 -0.36 0.00 0.00 175.35 177.45 3mka s ARG 135 N -0.47 4.30 1.03 4.03 0.52 -1.26 -4.40 118.95 122.69 3mka s ARG 135 Ca 0.01 2.15 -0.15 0.00 -0.52 0.00 0.00 55.73 57.21 3mka s ARG 135 Cb -0.04 -3.22 0.07 0.00 0.52 0.00 0.00 34.95 32.27 3mka s ARG 135 CO -0.00 -0.48 0.24 -2.30 0.02 0.00 0.00 175.30 172.78 3mka n PRO 136 N 3.93 -0.88 -4.56 3.54 -0.02 -1.26 -4.88 135.00 130.88 3mka n PRO 136 Ca 0.12 -0.22 -0.22 0.00 -2.02 0.00 0.00 63.50 61.16 3mka n PRO 136 Cb 0.41 -1.79 -0.15 0.00 -0.02 0.00 0.00 33.50 31.96 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 -3.56 1.08 -0.01 -0.52 2.02 -0.62 -5.00 118.70 112.09 3mka s GLU 137 Ca 0.56 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.99 3mka s GLU 137 Cb -0.17 -1.06 -0.00 0.00 0.10 0.00 0.00 34.13 33.00 3mka s GLU 137 CO 0.67 0.28 -0.07 -0.51 0.02 0.00 0.00 175.26 175.65 3mka s LEU 138 N -0.58 1.92 0.00 1.80 1.43 -1.24 -1.82 118.68 120.19 3mka s LEU 138 Ca 0.04 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3mka s LEU 138 Cb -0.06 -0.40 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 3mka s LEU 138 CO 0.00 0.07 -0.08 -0.31 0.23 0.00 0.00 176.35 176.27 3mka s TYR 139 N -0.03 0.69 -0.02 0.29 2.02 -0.71 -1.21 117.35 118.38 3mka s TYR 139 Ca 0.01 -0.19 0.07 0.00 -0.37 0.00 0.00 57.07 56.59 3mka s TYR 139 Cb -0.05 -0.43 -0.02 0.00 -0.40 0.00 0.00 41.96 41.06 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 -0.44 2.16 -0.11 -0.62 3.52 -0.12 -1.80 118.95 121.54 3mka s ARG 140 Ca 0.01 -0.90 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 3mka s ARG 140 Cb -0.04 -2.10 0.02 0.00 -1.56 0.00 0.00 34.95 31.27 3mka s ARG 140 CO -0.00 0.57 -0.13 0.42 -0.81 0.00 0.00 175.30 175.35 3mka s ILE 141 N -0.65 1.36 0.67 4.11 1.09 0.73 -0.18 121.20 128.33 3mka s ILE 141 Ca 0.10 -0.54 -0.07 0.00 -1.10 0.00 0.00 60.65 59.04 3mka s ILE 141 Cb -0.10 -1.28 0.04 0.00 -1.06 0.00 0.00 42.46 40.06 3mka s ILE 141 CO -0.00 0.42 1.00 0.42 -0.10 0.00 0.00 174.94 176.67 3mka s THR 142 N 1.19 2.88 0.37 2.92 -4.23 -0.34 -1.39 115.64 117.05 3mka s THR 142 Ca -0.03 -0.06 0.05 0.00 -1.18 0.00 0.00 61.69 60.46 3mka s THR 142 Cb -0.14 -3.22 0.25 0.00 1.34 0.00 0.00 72.50 70.73 3mka s THR 142 CO -0.04 -0.24 2.01 0.10 -0.54 0.00 0.00 174.62 175.91 3mka h TYR 143 N -0.49 0.64 0.00 3.99 -0.00 -1.82 0.27 116.97 119.56 3mka h TYR 143 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.26 3mka h TYR 143 Cb 1.29 -0.21 -0.00 0.00 0.00 0.00 0.00 36.73 37.80 3mka h TYR 143 CO 0.40 0.44 -0.12 0.22 -0.00 0.00 0.00 178.16 179.10 3mka h ASP 144 N 0.68 0.00 0.00 0.10 -0.00 -1.89 -3.41 116.42 111.90 3mka h ASP 144 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.21 3mka h ASP 144 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.31 3mka h ASP 144 CO -0.03 0.12 0.00 0.61 -0.00 0.00 0.00 179.24 179.93 3mka n GLY 145 N -1.08 0.68 3.77 -0.78 0.00 0.94 -4.22 105.19 104.50 3mka n GLY 145 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.62 6.38 -0.09 1.61 0.01 -1.26 -4.67 113.70 113.06 3mka s SER 146 Ca 0.00 2.42 0.04 0.00 1.31 0.00 0.00 55.95 59.72 3mka s SER 146 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3mka s SER 146 CO 0.00 -0.78 -0.23 -0.51 0.41 0.00 0.00 173.24 172.13 3mka s ILE 147 N -1.40 1.97 -0.04 1.44 2.07 -1.26 -1.20 121.20 122.78 3mka s ILE 147 Ca 0.58 -0.97 0.06 0.00 -1.41 0.00 0.00 60.65 58.92 3mka s ILE 147 Cb -0.32 -1.70 -0.01 0.00 0.13 0.00 0.00 42.46 40.55 3mka s ILE 147 CO 0.40 0.54 -0.23 0.00 -1.91 0.00 0.00 174.94 173.74 3mka s ALA 148 N 0.32 1.97 -0.74 1.50 0.00 0.75 -4.96 121.76 120.60 3mka s ALA 148 Ca -0.17 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 3mka s ALA 148 Cb -0.17 -0.56 0.13 0.00 0.00 0.00 0.00 23.12 22.51 3mka s ALA 148 CO 0.08 0.43 0.88 0.34 0.00 0.00 0.00 175.76 177.49 3mka s ASP 149 N -0.33 6.41 -0.16 0.00 -1.08 -1.26 -0.94 116.67 119.31 3mka s ASP 149 Ca 0.03 -1.76 -0.18 0.00 -0.52 0.00 0.00 52.55 50.12 3mka s ASP 149 Cb -0.11 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 38.98 3mka s ASP 149 CO 0.01 -1.06 0.49 -1.61 0.52 0.00 0.00 175.17 173.52 3mka s GLU 150 N 2.48 4.26 0.19 4.34 0.41 -0.35 -5.00 118.70 125.04 3mka s GLU 150 Ca 0.20 0.41 -0.02 0.00 -0.41 0.00 0.00 54.97 55.16 3mka s GLU 150 Cb -0.15 -3.50 0.12 0.00 -1.78 0.00 0.00 34.13 28.82 3mka s GLU 150 CO -0.00 0.01 1.50 -1.35 -0.49 0.00 0.00 175.26 174.93 3mka h PRO 151 N 7.08 0.51 0.00 0.39 0.11 -1.97 -3.29 132.00 134.83 3mka h PRO 151 Ca -0.38 -0.33 0.00 0.00 0.11 0.00 0.00 66.00 65.40 3mka h PRO 151 Cb 1.17 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mka h PRO 151 CO 0.75 0.94 -0.68 0.72 -0.21 0.00 0.00 178.00 179.52 3mka n HIS 152 N -3.93 0.00 -3.86 0.65 8.25 -1.26 -4.84 115.22 110.22 3mka n HIS 152 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 3mka n HIS 152 Cb 0.62 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.69 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 -1.68 0.06 -0.01 4.41 -0.12 -1.26 0.12 117.98 119.50 3mka s PHE 153 Ca 0.00 -0.43 -0.03 0.00 -0.05 0.00 0.00 56.93 56.42 3mka s PHE 153 Cb 0.00 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 3mka s PHE 153 CO 0.00 -0.99 0.07 0.08 -0.05 0.00 0.00 175.22 174.32 3mka s VAL 154 N -3.94 0.04 -0.02 -2.49 1.01 0.69 -4.89 120.40 110.81 3mka s VAL 154 Ca 0.14 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3mka s VAL 154 Cb -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 3mka s VAL 154 CO 0.03 -0.18 -0.08 -0.69 0.00 0.00 0.00 175.10 174.18 3mka s VAL 155 N -0.55 0.70 0.02 2.92 1.01 -1.26 -1.24 120.40 122.00 3mka s VAL 155 Ca -0.06 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 3mka s VAL 155 Cb -0.04 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.76 3mka s VAL 155 CO 0.00 0.21 0.35 -0.04 0.00 0.00 0.00 175.10 175.62 3mka s MET 156 N 0.01 0.80 0.00 2.72 -1.94 -0.39 -5.01 119.30 115.49 3mka s MET 156 Ca 0.00 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.63 3mka s MET 156 Cb -0.06 0.35 0.00 0.00 2.01 0.00 0.00 34.83 37.14 3mka s MET 156 CO -0.00 -0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.17 3mka n GLY 157 N 0.78 1.18 7.00 -0.03 0.00 -1.26 -0.31 105.19 112.54 3mka n GLY 157 Ca -0.19 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 1.35 1.92 3.50 -0.02 0.00 0.31 -4.24 105.19 108.01 3mka n GLY 158 Ca 0.00 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 4.97 -0.15 2.61 -4.23 -1.25 -4.33 115.64 113.25 3mka s THR 159 Ca 0.00 -0.17 -0.20 0.00 -1.18 0.00 0.00 61.69 60.15 3mka s THR 159 Cb 0.00 -4.12 -0.24 0.00 1.34 0.00 0.00 72.50 69.49 3mka s THR 159 CO 0.00 -0.51 0.43 0.71 -0.54 0.00 0.00 174.62 174.71 3mka h THR 160 N 5.80 1.07 -0.71 3.99 1.35 -1.97 -3.41 112.91 119.03 3mka h THR 160 Ca -0.26 -2.30 0.13 0.00 -0.55 0.00 0.00 66.41 63.43 3mka h THR 160 Cb 1.10 2.60 -0.12 0.00 -1.73 0.00 0.00 68.15 70.00 3mka h THR 160 CO 0.84 0.54 -0.23 -0.62 -0.25 0.00 0.00 175.52 175.80 3mka n GLU 161 N -4.21 -0.11 0.21 4.72 4.71 -1.26 0.13 120.64 124.82 3mka n GLU 161 Ca -0.26 1.10 -0.15 0.00 -0.01 0.00 0.00 57.16 57.83 3mka n GLU 161 Cb 0.76 -1.63 -0.07 0.00 -1.01 0.00 0.00 31.44 29.48 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 -0.67 -0.61 3.49 0.13 -1.96 0.12 132.00 132.50 3mka h PRO 162 Ca 0.29 0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.53 3mka h PRO 162 Cb 0.47 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.70 3mka h PRO 162 CO -0.72 -0.44 0.32 0.82 -0.23 0.00 0.00 178.00 177.75 3mka h ILE 163 N -0.69 0.93 0.12 -3.56 2.04 -0.91 0.21 117.51 115.65 3mka h ILE 163 Ca -0.02 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3mka h ILE 163 Cb 0.64 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3mka h ILE 163 CO -0.08 0.11 -0.06 0.00 0.00 0.00 0.00 178.15 178.12 3mka h ALA 164 N 1.34 -0.16 -0.47 1.87 0.00 -0.05 0.50 119.26 122.28 3mka h ALA 164 Ca 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3mka h ALA 164 Cb 0.20 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3mka h ALA 164 CO -0.19 -0.56 0.13 -0.91 0.00 0.00 0.00 179.25 177.72 3mka h ASN 165 N -0.23 0.70 -0.93 0.00 2.35 -0.44 0.39 115.58 117.41 3mka h ASN 165 Ca -0.02 -0.22 0.10 0.00 -0.55 0.00 0.00 56.30 55.61 3mka h ASN 165 Cb 0.19 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 3mka h ASN 165 CO 0.03 0.74 0.60 0.00 -1.65 0.00 0.00 177.43 177.14 3mka h ALA 166 N 0.99 1.58 -0.25 -0.83 0.00 -0.43 0.69 119.26 121.01 3mka h ALA 166 Ca 0.15 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3mka h ALA 166 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3mka h ALA 166 CO -0.00 0.23 -0.25 -0.07 0.00 0.00 0.00 179.25 179.16 3mka h LEU 167 N 0.95 0.65 -0.58 0.00 3.38 0.24 -0.27 115.31 119.69 3mka h LEU 167 Ca 0.43 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3mka h LEU 167 Cb 0.39 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3mka h LEU 167 CO -0.19 0.99 0.31 0.50 0.09 0.00 0.00 178.44 180.13 3mka h LYS 168 N 0.33 0.81 -0.52 1.13 3.64 0.17 1.62 116.57 123.75 3mka h LYS 168 Ca 0.04 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 3mka h LYS 168 Cb 0.80 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3mka h LYS 168 CO 0.06 0.63 -0.15 0.93 -2.27 0.00 0.00 179.45 178.66 3mka h GLU 169 N 0.78 1.02 -0.42 1.90 4.39 0.31 -3.29 114.58 119.27 3mka h GLU 169 Ca 0.20 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3mka h GLU 169 Cb 0.06 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3mka h GLU 169 CO -0.03 1.08 0.00 -1.13 -1.16 0.00 0.00 179.01 177.77 3mka n SER 170 N -4.14 3.50 -4.77 1.42 3.41 -0.12 -5.03 113.62 107.90 3mka n SER 170 Ca 0.01 -2.27 -0.41 0.00 -0.26 0.00 0.00 58.87 55.94 3mka n SER 170 Cb 0.42 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.49 2.66 -0.08 7.33 6.04 0.55 -4.93 117.35 127.43 3mka s TYR 171 Ca 0.34 1.04 0.05 0.00 0.04 0.00 0.00 57.07 58.54 3mka s TYR 171 Cb 0.21 -4.03 -0.00 0.00 -1.04 0.00 0.00 41.96 37.10 3mka s TYR 171 CO 0.18 -3.16 -0.24 0.00 -1.54 0.00 0.00 175.55 170.78 3mka s ALA 172 N -0.73 2.17 -0.18 3.97 0.00 -1.26 -5.04 121.76 120.68 3mka s ALA 172 Ca 0.56 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3mka s ALA 172 Cb -0.47 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 3mka s ALA 172 CO 0.58 0.34 0.02 -2.00 0.00 0.00 0.00 175.76 174.70 3mka s GLU 173 N 0.15 3.81 -0.63 0.00 2.12 -1.26 -4.21 118.70 118.67 3mka s GLU 173 Ca -0.13 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.76 3mka s GLU 173 Cb -0.16 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3mka s GLU 173 CO 0.07 0.19 0.00 0.09 -0.54 0.00 0.00 175.26 175.07 3mka n ASN 174 N 3.73 -3.78 -4.76 -1.70 4.13 -1.26 -4.91 115.26 106.71 3mka n ASN 174 Ca -0.17 0.15 -0.38 0.00 1.68 0.00 0.00 54.58 55.86 3mka n ASN 174 Cb 0.52 -1.80 0.02 0.00 -1.54 0.00 0.00 39.78 36.98 3mka n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mka s ALA 175 N -2.20 2.88 0.82 5.41 0.00 -1.26 -4.33 121.76 123.08 3mka s ALA 175 Ca 0.00 1.19 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 3mka s ALA 175 Cb 0.00 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.71 3mka s ALA 175 CO 0.00 -1.11 1.16 -1.54 0.00 0.00 0.00 175.76 174.27 3mka s SER 176 N -1.09 3.63 0.23 0.00 1.04 -1.26 -4.04 113.70 112.22 3mka s SER 176 Ca 0.68 2.21 -0.06 0.00 0.48 0.00 0.00 55.95 59.26 3mka s SER 176 Cb -0.36 -2.57 0.30 0.00 0.10 0.00 0.00 66.02 63.49 3mka s SER 176 CO 0.43 -2.63 1.85 0.25 0.98 0.00 0.00 173.24 174.12 3mka h LEU 177 N -1.14 0.82 -0.66 2.42 5.85 -1.99 -0.44 115.31 120.16 3mka h LEU 177 Ca -0.45 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3mka h LEU 177 Cb 1.27 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3mka h LEU 177 CO 0.46 0.53 0.38 0.74 -0.34 0.00 0.00 178.44 180.22 3mka h THR 178 N 0.96 1.20 -0.62 1.05 2.02 -1.88 -0.02 112.91 115.61 3mka h THR 178 Ca 0.36 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 3mka h THR 178 Cb 0.13 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3mka h THR 178 CO -0.16 0.22 0.25 0.44 0.37 0.00 0.00 175.52 176.64 3mka h ASP 179 N 0.91 0.86 -0.67 4.18 3.32 -1.68 -0.61 116.42 122.72 3mka h ASP 179 Ca 0.24 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3mka h ASP 179 Cb 0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3mka h ASP 179 CO -0.04 0.79 0.32 0.00 -1.72 0.00 0.00 179.24 178.59 3mka h ALA 180 N 1.10 0.87 -0.62 3.45 0.00 -0.72 -0.81 119.26 122.52 3mka h ALA 180 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3mka h ALA 180 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3mka h ALA 180 CO -0.02 0.44 0.33 1.25 0.00 0.00 0.00 179.25 181.25 3mka h LEU 181 N 0.94 0.79 -0.54 0.00 5.85 -0.54 -0.25 115.31 121.56 3mka h LEU 181 Ca 0.23 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3mka h LEU 181 Cb 0.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3mka h LEU 181 CO -0.03 0.67 0.27 0.03 -0.34 0.00 0.00 178.44 179.04 3mka h ARG 182 N 0.85 0.76 -0.71 1.25 3.08 -0.61 -0.03 114.38 118.96 3mka h ARG 182 Ca 0.22 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3mka h ARG 182 Cb 0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3mka h ARG 182 CO -0.03 0.61 0.34 0.82 -1.07 0.00 0.00 179.97 180.64 3mka h ILE 183 N 0.72 1.23 -0.70 2.04 2.04 -0.73 -0.81 117.51 121.30 3mka h ILE 183 Ca 0.19 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3mka h ILE 183 Cb 0.09 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3mka h ILE 183 CO -0.03 0.27 0.30 0.00 0.00 0.00 0.00 178.15 178.70 3mka h ALA 184 N 1.17 0.91 -0.68 1.87 0.00 -0.67 -1.03 119.26 120.83 3mka h ALA 184 Ca 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mka h ALA 184 Cb 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3mka h ALA 184 CO -0.03 0.51 0.29 0.28 0.00 0.00 0.00 179.25 180.30 3mka h VAL 185 N 0.99 1.24 -0.60 0.00 2.07 -0.55 -0.13 116.25 119.27 3mka h VAL 185 Ca 0.24 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3mka h VAL 185 Cb 0.18 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3mka h VAL 185 CO -0.02 0.29 0.31 0.00 0.02 0.00 0.00 177.57 178.17 3mka h ALA 186 N 1.13 0.77 -0.72 1.67 0.00 -0.64 0.34 119.26 121.82 3mka h ALA 186 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 186 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3mka h ALA 186 CO -0.02 0.31 0.28 0.00 0.00 0.00 0.00 179.25 179.82 3mka h ALA 187 N 1.14 0.93 0.00 0.00 0.00 -0.73 -2.26 119.26 118.34 3mka h ALA 187 Ca 0.21 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3mka h ALA 187 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3mka h ALA 187 CO -0.03 0.57 -0.57 1.25 0.00 0.00 0.00 179.25 180.47 3mka h LEU 188 N 1.03 0.00 -0.82 0.00 5.85 -0.62 -3.13 115.31 117.63 3mka h LEU 188 Ca 0.24 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 3mka h LEU 188 Cb 0.23 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3mka h LEU 188 CO -0.02 0.57 0.33 0.03 -0.34 0.00 0.00 178.44 179.01 3mka h ARG 189 N 0.00 1.20 -0.81 1.25 3.08 0.24 -2.87 114.38 116.47 3mka h ARG 189 Ca -0.01 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 3mka h ARG 189 Cb 1.01 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 3mka h ARG 189 CO 0.07 0.96 0.43 0.00 -1.07 0.00 0.00 179.97 180.37 3mka h ALA 190 N 1.19 1.04 -0.81 0.04 0.00 -1.39 -2.74 119.26 116.58 3mka h ALA 190 Ca 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3mka h ALA 190 Cb 0.20 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3mka h ALA 190 CO -0.02 0.56 0.38 0.78 0.00 0.00 0.00 179.25 180.95 3mka h GLY 191 N 1.13 1.26 0.00 0.00 0.00 -1.57 -3.47 103.07 100.42 3mka h GLY 191 Ca 0.28 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3mka h GLY 191 CO -0.04 0.60 0.00 -1.26 0.00 0.00 0.00 176.54 175.84 3mka n SER 192 N -4.30 0.00 0.00 0.19 2.88 -1.04 -4.92 113.62 106.43 3mka n SER 192 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 3mka n SER 192 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 3mka n SER 192 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mka n GLY 204 N 0.00 2.34 0.04 0.46 0.00 -1.26 -4.51 105.19 102.26 3mka n GLY 204 Ca 0.00 -2.06 0.09 0.00 0.00 0.00 0.00 46.02 44.05 3mka n GLY 204 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mka n VAL 205 N 0.00 0.27 -1.15 1.61 0.31 -1.26 -3.75 118.33 114.36 3mka n VAL 205 Ca 0.00 -0.54 -0.02 0.00 -0.01 0.00 0.00 64.34 63.77 3mka n VAL 205 Cb 0.00 -0.13 0.26 0.00 -0.91 0.00 0.00 33.84 33.06 3mka n VAL 205 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mka n ALA 206 N -2.28 4.04 -0.75 3.52 0.00 -1.26 -3.96 120.51 119.83 3mka n ALA 206 Ca -0.05 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.82 3mka n ALA 206 Cb 0.61 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3mka n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mka n SER 207 N -0.57 0.40 -4.37 0.00 3.41 -1.26 -4.67 113.62 106.56 3mka n SER 207 Ca 0.33 -1.15 -0.28 0.00 -0.26 0.00 0.00 58.87 57.51 3mka n SER 207 Cb 1.15 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.97 3mka n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mka s LEU 208 N -0.15 2.31 -0.16 1.04 1.02 -1.24 -0.60 118.68 120.90 3mka s LEU 208 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 54.13 53.42 3mka s LEU 208 Cb 0.00 -1.18 0.03 0.00 0.02 0.00 0.00 46.19 45.06 3mka s LEU 208 CO 0.00 0.17 -0.12 -0.70 0.02 0.00 0.00 176.35 175.72 3mka s GLU 209 N -1.99 2.06 0.00 1.70 2.12 -0.26 -4.76 118.70 117.58 3mka s GLU 209 Ca 0.13 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.93 3mka s GLU 209 Cb -0.10 -2.10 -0.02 0.00 0.26 0.00 0.00 34.13 32.17 3mka s GLU 209 CO 0.06 -0.30 -0.16 0.08 -0.54 0.00 0.00 175.26 174.39 3mka s VAL 210 N 1.51 1.27 0.18 3.70 1.01 -1.26 -1.49 120.40 125.32 3mka s VAL 210 Ca 0.03 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 3mka s VAL 210 Cb -0.14 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.21 3mka s VAL 210 CO -0.10 0.27 0.74 0.00 0.00 0.00 0.00 175.10 176.02 3mka s ALA 211 N -0.51 -1.50 0.15 5.51 0.00 -0.88 -1.62 121.76 122.91 3mka s ALA 211 Ca 0.05 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 3mka s ALA 211 Cb -0.07 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.87 3mka s ALA 211 CO 0.00 -0.91 0.48 0.14 0.00 0.00 0.00 175.76 175.47 3mka s VAL 212 N -3.65 0.04 -0.30 0.00 -7.23 0.12 -0.73 120.40 108.65 3mka s VAL 212 Ca 0.07 -0.44 -0.09 0.00 -1.81 0.00 0.00 61.98 59.71 3mka s VAL 212 Cb -0.03 -1.18 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 3mka s VAL 212 CO -0.02 -0.20 0.14 -0.76 -0.31 0.00 0.00 175.10 173.95 3mka s LEU 213 N -2.80 4.01 -0.34 1.32 1.43 -0.45 -0.95 118.68 120.89 3mka s LEU 213 Ca 0.03 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 3mka s LEU 213 Cb 0.01 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 3mka s LEU 213 CO -0.11 -0.17 0.31 -0.62 0.23 0.00 0.00 176.35 175.99 3mka s ASP 214 N 1.61 6.13 0.33 2.29 -1.08 0.16 -2.86 116.67 123.25 3mka s ASP 214 Ca 0.05 -0.29 0.02 0.00 -0.52 0.00 0.00 52.55 51.81 3mka s ASP 214 Cb -0.17 -2.17 0.57 0.00 -1.46 0.00 0.00 42.92 39.69 3mka s ASP 214 CO 0.06 -0.29 1.90 0.00 0.52 0.00 0.00 175.17 177.36 3mka h ALA 215 N 8.47 1.39 -0.59 3.66 0.00 -1.85 -2.69 119.26 127.63 3mka h ALA 215 Ca -0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3mka h ALA 215 Cb 1.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3mka h ALA 215 CO 0.67 0.45 0.25 -0.97 0.00 0.00 0.00 179.25 179.65 3mka h ASN 216 N 0.67 0.78 -3.90 0.00 -1.24 -1.92 -3.39 115.58 106.58 3mka h ASN 216 Ca 0.16 -0.09 -0.55 0.00 0.71 0.00 0.00 56.30 56.53 3mka h ASN 216 Cb 0.20 -0.20 0.12 0.00 0.73 0.00 0.00 38.32 39.16 3mka h ASN 216 CO -0.01 0.69 0.71 0.54 -1.29 0.00 0.00 177.43 178.07 3mka n ARG 217 N -4.33 2.38 -0.16 6.67 5.12 -1.02 -4.92 116.66 120.41 3mka n ARG 217 Ca 0.05 0.84 -0.08 0.00 -1.93 0.00 0.00 57.85 56.73 3mka n ARG 217 Cb 0.16 -2.62 0.00 0.00 -1.16 0.00 0.00 32.46 28.84 3mka n ARG 217 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3mka h PRO 218 N 2.53 0.68 0.00 5.56 0.13 -1.88 -3.41 132.00 135.61 3mka h PRO 218 Ca -0.50 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3mka h PRO 218 Cb 1.26 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3mka h PRO 218 CO 0.62 0.60 0.00 -2.13 -0.23 0.00 0.00 178.00 176.86 3mka n ARG 219 N -4.61 0.00 -2.75 0.86 0.63 -1.26 -4.23 116.66 105.30 3mka n ARG 219 Ca 0.01 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.52 3mka n ARG 219 Cb 0.14 -0.06 -0.03 0.00 0.45 0.00 0.00 32.46 32.95 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 -1.17 3.19 0.50 -0.14 0.52 -1.26 -4.32 118.95 116.28 3mka s ARG 220 Ca 0.00 -0.72 0.28 0.00 -0.52 0.00 0.00 55.73 54.77 3mka s ARG 220 Cb 0.00 -4.31 1.30 0.00 0.52 0.00 0.00 34.95 32.46 3mka s ARG 220 CO 0.00 -1.94 1.98 0.00 0.02 0.00 0.00 175.30 175.37 3mka h ALA 221 N 9.68 1.12 -2.40 2.13 0.00 -1.37 -3.45 119.26 124.97 3mka h ALA 221 Ca -0.24 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.01 3mka h ALA 221 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3mka h ALA 221 CO 1.22 0.17 0.85 0.12 0.00 0.00 0.00 179.25 181.61 3mka s PHE 222 N -3.90 2.82 -0.06 0.00 5.36 -1.26 0.39 117.98 121.34 3mka s PHE 222 Ca -0.01 0.75 -0.02 0.00 -0.96 0.00 0.00 56.93 56.69 3mka s PHE 222 Cb 0.11 -3.71 0.04 0.00 -0.34 0.00 0.00 43.02 39.12 3mka s PHE 222 CO 0.59 -2.66 0.12 1.03 -1.46 0.00 0.00 175.22 172.84 3mka s ARG 223 N 2.31 0.07 -0.14 10.12 0.52 -0.13 -4.96 118.95 126.73 3mka s ARG 223 Ca 0.65 0.33 -0.20 0.00 -0.52 0.00 0.00 55.73 56.00 3mka s ARG 223 Cb -0.33 -0.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.92 3mka s ARG 223 CO 0.28 -0.16 0.55 1.03 0.02 0.00 0.00 175.30 177.02 3mka s ARG 224 N 1.10 4.31 -0.42 3.54 0.52 -1.26 -0.70 118.95 126.03 3mka s ARG 224 Ca -0.09 0.54 -0.18 0.00 -0.52 0.00 0.00 55.73 55.48 3mka s ARG 224 Cb -0.11 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 31.89 3mka s ARG 224 CO -0.05 0.01 0.50 0.42 0.02 0.00 0.00 175.30 176.20 3mka s ILE 225 N 1.07 5.01 0.20 1.52 1.01 -0.64 -4.95 121.20 124.43 3mka s ILE 225 Ca 0.28 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.80 3mka s ILE 225 Cb -0.16 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 3mka s ILE 225 CO 0.11 -0.47 -0.14 0.28 0.00 0.00 0.00 174.94 174.73 3mka s THR 226 N 2.33 1.71 0.00 2.92 -1.32 -1.26 -4.32 115.64 115.70 3mka s THR 226 Ca 0.15 -2.20 0.00 0.00 -1.21 0.00 0.00 61.69 58.44 3mka s THR 226 Cb -0.16 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 68.80 3mka s THR 226 CO 0.15 -0.60 0.00 0.61 -2.21 0.00 0.00 174.62 172.58 3mka n GLY 227 N -0.35 2.64 0.41 6.08 0.00 -1.26 -2.83 105.19 109.88 3mka n GLY 227 Ca -0.08 0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.83 -0.78 1.61 0.02 -1.99 0.19 113.55 110.77 3mka h SER 228 Ca 0.00 0.30 0.08 0.00 -0.84 0.00 0.00 61.79 61.33 3mka h SER 228 Cb 0.00 0.83 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 3mka h SER 228 CO 0.00 -0.29 0.51 0.00 -1.14 0.00 0.00 176.83 175.91 3mka h ALA 229 N 0.66 1.70 -0.17 3.77 0.00 -1.94 -0.63 119.26 122.66 3mka h ALA 229 Ca 0.20 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3mka h ALA 229 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3mka h ALA 229 CO -0.86 0.16 -0.50 1.25 0.00 0.00 0.00 179.25 179.30 3mka h LEU 230 N 0.78 0.50 -0.59 0.00 5.85 -1.07 -3.06 115.31 117.72 3mka h LEU 230 Ca 0.35 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3mka h LEU 230 Cb 0.34 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3mka h LEU 230 CO -0.13 0.91 0.33 -0.61 -0.34 0.00 0.00 178.44 178.61 3mka h GLN 231 N 0.36 0.82 -0.67 1.25 5.75 0.55 -2.92 115.11 120.26 3mka h GLN 231 Ca 0.02 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 3mka h GLN 231 Cb 1.00 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.36 3mka h GLN 231 CO 0.09 0.62 0.16 0.00 -2.65 0.00 0.00 178.83 177.05 3mka h ALA 232 N 1.16 1.03 -0.60 3.38 0.00 -1.40 -3.23 119.26 119.60 3mka h ALA 232 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mka h ALA 232 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3mka h ALA 232 CO -0.03 0.64 0.30 -0.07 0.00 0.00 0.00 179.25 180.08 3mka h LEU 233 N 1.00 0.76 -0.81 0.00 3.38 -1.41 -2.87 115.31 115.35 3mka h LEU 233 Ca 0.21 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3mka h LEU 233 Cb 0.35 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3mka h LEU 233 CO 0.00 0.64 0.53 -0.07 0.09 0.00 0.00 178.44 179.62 3mka h LEU 234 N 0.85 0.94 0.00 1.67 4.07 -1.56 -3.45 115.31 117.83 3mka h LEU 234 Ca 0.21 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.14 3mka h LEU 234 Cb 0.07 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.57 3mka h LEU 234 CO -0.03 0.69 0.00 0.52 -1.08 0.00 0.00 178.44 178.54