#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s PHE 3 N 0.00 2.93 0.37 7.33 0.08 -1.26 -5.06 117.98 122.37 3mka s PHE 3 Ca 0.00 1.54 -0.04 0.00 0.12 0.00 0.00 56.93 58.55 3mka s PHE 3 Cb 0.00 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 3mka s PHE 3 CO 0.00 -1.13 0.63 -1.25 -0.10 0.00 0.00 175.22 173.38 3mka s PRO 4 N -3.75 3.57 0.45 0.24 0.04 -1.26 -5.12 135.00 129.17 3mka s PRO 4 Ca 0.66 -0.01 0.04 0.00 0.04 0.00 0.00 61.00 61.73 3mka s PRO 4 Cb -0.17 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 3mka s PRO 4 CO 0.31 0.06 0.02 1.52 0.04 0.00 0.00 177.00 178.95 3mka s TYR 5 N -2.37 2.14 -0.02 0.56 -0.85 -1.26 -5.17 117.35 110.38 3mka s TYR 5 Ca 0.44 -0.86 -0.09 0.00 -0.52 0.00 0.00 57.07 56.04 3mka s TYR 5 Cb -0.10 -1.63 0.01 0.00 0.38 0.00 0.00 41.96 40.62 3mka s TYR 5 CO 0.36 0.27 0.20 -0.06 -1.52 0.00 0.00 175.55 174.80 3mka s PHE 6 N -2.86 -0.08 0.17 -3.49 0.08 -1.26 -5.17 117.98 105.37 3mka s PHE 6 Ca 0.22 0.14 0.10 0.00 0.12 0.00 0.00 56.93 57.51 3mka s PHE 6 Cb 0.06 0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.48 3mka s PHE 6 CO 0.11 -0.27 -0.20 0.42 -0.10 0.00 0.00 175.22 175.18 3mka s ILE 7 N -0.98 2.61 0.13 0.64 1.01 -1.26 -5.08 121.20 118.27 3mka s ILE 7 Ca -0.11 -1.82 -0.31 0.00 0.00 0.00 0.00 60.65 58.42 3mka s ILE 7 Cb -0.05 -2.24 -0.10 0.00 0.01 0.00 0.00 42.46 40.07 3mka s ILE 7 CO 0.02 -0.05 1.81 -0.55 0.00 0.00 0.00 174.94 176.17 3mka s SER 8 N -2.52 6.43 0.11 3.58 0.15 -1.26 -4.89 113.70 115.30 3mka s SER 8 Ca 0.20 2.75 -0.16 0.00 0.70 0.00 0.00 55.95 59.45 3mka s SER 8 Cb -0.09 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 3mka s SER 8 CO 0.10 -0.99 1.52 -0.65 1.20 0.00 0.00 173.24 174.42 3mka h PRO 9 N 8.43 0.64 -0.48 5.44 0.11 -2.00 -3.21 132.00 140.93 3mka h PRO 9 Ca -0.46 -0.24 -0.05 0.00 0.11 0.00 0.00 66.00 65.36 3mka h PRO 9 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3mka h PRO 9 CO 0.95 0.80 0.09 0.93 -0.21 0.00 0.00 178.00 180.56 3mka h GLU 10 N 0.43 0.79 -0.61 1.05 5.08 -2.00 -2.70 114.58 116.61 3mka h GLU 10 Ca 0.09 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3mka h GLU 10 Cb 0.56 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3mka h GLU 10 CO 0.03 0.79 0.17 1.96 -1.00 0.00 0.00 179.01 180.95 3mka h GLN 11 N 0.66 0.96 -0.74 2.33 1.08 -1.98 -2.78 115.11 114.65 3mka h GLN 11 Ca 0.15 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 3mka h GLN 11 Cb 0.37 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 3mka h GLN 11 CO 0.01 0.87 0.31 0.00 -0.95 0.00 0.00 178.83 179.06 3mka h ALA 12 N 1.05 0.96 -0.55 3.87 0.00 -1.54 -2.84 119.26 120.20 3mka h ALA 12 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 12 Cb 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mka h ALA 12 CO -0.00 0.57 0.23 1.98 0.00 0.00 0.00 179.25 182.02 3mka h MET 13 N 1.05 0.82 -0.33 0.00 -1.53 -1.29 -1.35 114.93 112.30 3mka h MET 13 Ca 0.25 -0.14 -0.03 0.00 -3.44 0.00 0.00 59.70 56.33 3mka h MET 13 Cb 0.19 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.10 3mka h MET 13 CO -0.02 0.70 0.08 -0.09 0.14 0.00 0.00 176.91 177.72 3mka h ARG 14 N 0.75 0.53 -0.61 0.39 2.43 -1.37 0.94 114.38 117.43 3mka h ARG 14 Ca 0.18 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3mka h ARG 14 Cb 0.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3mka h ARG 14 CO -0.02 0.59 0.05 0.93 -1.51 0.00 0.00 179.97 180.02 3mka h GLU 15 N 0.38 1.04 0.10 0.20 5.08 -1.47 0.38 114.58 120.28 3mka h GLU 15 Ca 0.10 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3mka h GLU 15 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3mka h GLU 15 CO 0.00 1.00 -0.05 0.00 -1.00 0.00 0.00 179.01 178.96 3mka h ARG 16 N 0.94 -0.13 -0.75 2.33 3.08 -1.16 0.17 114.38 118.86 3mka h ARG 16 Ca 0.18 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.37 3mka h ARG 16 Cb 0.50 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3mka h ARG 16 CO 0.02 0.38 0.50 1.03 -1.07 0.00 0.00 179.97 180.83 3mka h SER 17 N -0.79 0.46 -0.03 7.04 0.87 0.95 -2.35 113.55 119.71 3mka h SER 17 Ca -0.01 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.32 3mka h SER 17 Cb 0.57 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3mka h SER 17 CO 0.02 0.25 -0.93 -0.33 -0.53 0.00 0.00 176.83 175.31 3mka h GLU 18 N 0.50 0.72 -0.91 2.24 4.39 -0.72 -0.31 114.58 120.48 3mka h GLU 18 Ca 0.36 -0.69 0.20 0.00 0.34 0.00 0.00 59.36 59.57 3mka h GLU 18 Cb 0.72 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.47 3mka h GLU 18 CO -0.12 1.28 0.60 1.25 -1.16 0.00 0.00 179.01 180.85 3mka h LEU 19 N 0.44 0.46 0.00 1.33 6.46 -0.13 -0.37 115.31 123.50 3mka h LEU 19 Ca -0.10 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.65 3mka h LEU 19 Cb 1.57 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.45 3mka h LEU 19 CO 0.18 0.19 -0.39 0.00 -0.62 0.00 0.00 178.44 177.80 3mka h ALA 20 N 1.61 0.08 -0.57 1.25 0.00 -1.38 -3.00 119.26 117.25 3mka h ALA 20 Ca 0.48 -0.65 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3mka h ALA 20 Cb 1.11 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 3mka h ALA 20 CO -0.20 0.23 -0.15 -0.09 0.00 0.00 0.00 179.25 179.04 3mka h ARG 21 N -1.00 -0.01 0.53 0.00 2.43 -0.55 -1.54 114.38 114.24 3mka h ARG 21 Ca -0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3mka h ARG 21 Cb 0.95 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3mka h ARG 21 CO -0.06 -0.01 -0.36 0.87 -1.51 0.00 0.00 179.97 178.91 3mka h LYS 22 N -0.01 -0.82 -0.60 0.20 1.57 -1.21 -2.03 116.57 113.67 3mka h LYS 22 Ca 0.27 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.23 3mka h LYS 22 Cb 0.43 0.19 -0.10 0.00 0.08 0.00 0.00 32.23 32.82 3mka h LYS 22 CO -0.59 -0.55 0.01 0.78 -0.57 0.00 0.00 179.45 178.53 3mka h GLY 23 N -0.85 0.64 1.54 3.86 0.00 -1.31 0.64 103.07 107.58 3mka h GLY 23 Ca -0.06 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3mka h GLY 23 CO 0.04 -0.19 0.17 -2.22 0.00 0.00 0.00 176.54 174.34 3mka h ILE 24 N 0.12 1.16 -0.79 2.60 2.04 -1.15 -1.84 117.51 119.66 3mka h ILE 24 Ca 0.31 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3mka h ILE 24 Cb 0.50 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3mka h ILE 24 CO -0.50 0.19 0.34 0.00 0.00 0.00 0.00 178.15 178.18 3mka h ALA 25 N 1.60 1.02 0.00 1.87 0.00 -0.21 0.53 119.26 124.06 3mka h ALA 25 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mka h ALA 25 Cb 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3mka h ALA 25 CO -0.02 0.63 0.00 -2.13 0.00 0.00 0.00 179.25 177.73 3mka n ARG 26 N -4.31 0.04 -2.44 0.00 0.63 -0.08 -3.39 116.66 107.11 3mka n ARG 26 Ca 0.07 0.22 -0.28 0.00 -0.92 0.00 0.00 57.85 56.94 3mka n ARG 26 Cb 0.17 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.58 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 -2.93 3.32 1.05 5.13 0.00 -0.85 -4.88 121.76 122.61 3mka s ALA 27 Ca 0.09 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 3mka s ALA 27 Cb 0.10 -2.70 0.22 0.00 0.00 0.00 0.00 23.12 20.75 3mka s ALA 27 CO 0.28 -0.49 1.08 0.15 0.00 0.00 0.00 175.76 176.77 3mka s LYS 28 N -4.87 -0.02 0.24 0.00 -0.14 -1.26 -1.51 119.74 112.18 3mka s LYS 28 Ca 0.50 1.17 0.09 0.00 -1.36 0.00 0.00 55.97 56.37 3mka s LYS 28 Cb -0.10 -1.63 -0.04 0.00 -1.68 0.00 0.00 37.83 34.37 3mka s LYS 28 CO 0.47 -3.22 -0.02 -1.12 -0.76 0.00 0.00 175.35 170.71 3mka s SER 29 N -2.59 4.53 -0.00 2.83 0.01 -1.26 -3.84 113.70 113.37 3mka s SER 29 Ca 0.68 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 57.33 3mka s SER 29 Cb -0.24 -0.85 -0.00 0.00 0.21 0.00 0.00 66.02 65.14 3mka s SER 29 CO 0.61 0.03 0.02 -0.69 0.41 0.00 0.00 173.24 173.62 3mka s VAL 30 N -2.14 0.02 0.07 3.43 1.01 0.92 -1.33 120.40 122.38 3mka s VAL 30 Ca 0.30 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.17 3mka s VAL 30 Cb -0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 3mka s VAL 30 CO 0.19 -0.09 -0.16 0.68 0.00 0.00 0.00 175.10 175.72 3mka s VAL 31 N -0.26 1.24 -0.04 2.92 -7.23 0.16 -1.31 120.40 115.88 3mka s VAL 31 Ca -0.03 -1.31 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 3mka s VAL 31 Cb -0.02 -1.16 0.03 0.00 0.56 0.00 0.00 36.38 35.78 3mka s VAL 31 CO -0.00 -0.16 0.01 0.00 -0.31 0.00 0.00 175.10 174.64 3mka s ALA 32 N -1.19 0.35 0.00 1.32 0.00 0.25 -1.27 121.76 121.23 3mka s ALA 32 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 3mka s ALA 32 Cb -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3mka s ALA 32 CO 0.02 -0.18 0.03 -0.48 0.00 0.00 0.00 175.76 175.15 3mka s LEU 33 N 1.31 1.96 0.48 0.00 0.05 -0.63 0.62 118.68 122.47 3mka s LEU 33 Ca -0.06 -0.17 -0.22 0.00 0.05 0.00 0.00 54.13 53.74 3mka s LEU 33 Cb -0.13 0.19 -0.07 0.00 -2.05 0.00 0.00 46.19 44.13 3mka s LEU 33 CO -0.02 -0.16 1.11 0.00 -0.55 0.00 0.00 176.35 176.72 3mka s ALA 34 N -0.70 2.89 0.33 1.48 0.00 0.30 -1.19 121.76 124.86 3mka s ALA 34 Ca -0.08 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 3mka s ALA 34 Cb -0.05 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3mka s ALA 34 CO -0.00 -0.55 0.62 1.52 0.00 0.00 0.00 175.76 177.35 3mka s TYR 35 N -1.72 0.38 0.26 0.00 -0.85 0.50 -4.64 117.35 111.28 3mka s TYR 35 Ca 0.66 -0.83 -0.04 0.00 -0.52 0.00 0.00 57.07 56.34 3mka s TYR 35 Cb -0.24 0.42 0.35 0.00 0.38 0.00 0.00 41.96 42.88 3mka s TYR 35 CO 0.28 -1.27 1.92 0.00 -1.52 0.00 0.00 175.55 174.96 3mka h ALA 36 N 2.09 1.35 0.00 9.51 0.00 -1.54 0.19 119.26 130.86 3mka h ALA 36 Ca -0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3mka h ALA 36 Cb 1.25 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3mka h ALA 36 CO 0.36 0.56 -0.06 0.78 0.00 0.00 0.00 179.25 180.89 3mka h GLY 37 N 1.26 0.00 0.00 0.00 0.00 -1.93 -3.48 103.07 98.91 3mka h GLY 37 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3mka h GLY 37 CO -0.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.04 3mka n GLY 38 N -0.45 0.90 3.25 4.60 0.00 0.67 -2.30 105.19 111.86 3mka n GLY 38 Ca -0.01 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 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 2.02 -0.06 1.61 1.01 -1.08 0.19 120.40 124.08 3mka s VAL 39 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.97 3mka s VAL 39 Cb 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3mka s VAL 39 CO 0.00 0.56 -0.13 -0.22 0.00 0.00 0.00 175.10 175.31 3mka s LEU 40 N -0.05 2.82 -0.18 3.92 2.96 -0.33 -1.23 118.68 126.59 3mka s LEU 40 Ca -0.07 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3mka s LEU 40 Cb -0.15 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 44.97 3mka s LEU 40 CO 0.05 0.32 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.85 3mka s PHE 41 N -0.59 2.78 -0.06 5.38 0.08 -0.00 -1.60 117.98 123.96 3mka s PHE 41 Ca 0.09 -1.57 0.02 0.00 0.12 0.00 0.00 56.93 55.58 3mka s PHE 41 Cb -0.11 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 3mka s PHE 41 CO 0.01 -0.77 -0.09 0.08 -0.10 0.00 0.00 175.22 174.35 3mka s VAL 42 N 1.24 0.90 0.01 -0.44 1.01 -0.39 -1.91 120.40 120.81 3mka s VAL 42 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3mka s VAL 42 Cb -0.13 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3mka s VAL 42 CO -0.11 0.31 -0.04 0.00 0.00 0.00 0.00 175.10 175.25 3mka s ALA 43 N 0.81 0.33 -0.20 5.51 0.00 -0.62 0.39 121.76 127.98 3mka s ALA 43 Ca -0.12 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 3mka s ALA 43 Cb -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3mka s ALA 43 CO 0.02 0.02 1.02 -1.83 0.00 0.00 0.00 175.76 174.98 3mka s GLU 44 N -0.64 4.29 -0.26 0.00 -1.05 -0.44 -0.94 118.70 119.66 3mka s GLU 44 Ca -0.04 1.34 -0.01 0.00 -0.15 0.00 0.00 54.97 56.11 3mka s GLU 44 Cb -0.05 -3.62 0.14 0.00 -0.44 0.00 0.00 34.13 30.17 3mka s GLU 44 CO -0.00 -0.55 0.39 1.21 0.95 0.00 0.00 175.26 177.26 3mka s ASN 45 N 1.18 0.28 0.14 0.83 3.84 -0.04 -4.46 114.94 116.71 3mka s ASN 45 Ca 0.44 0.04 -0.13 0.00 0.21 0.00 0.00 52.86 53.42 3mka s ASN 45 Cb -0.16 1.13 0.00 0.00 -0.55 0.00 0.00 41.25 41.67 3mka s ASN 45 CO 0.09 -0.32 1.59 1.55 -2.79 0.00 0.00 177.10 177.22 3mka h PRO 46 N 8.17 0.81 -7.03 0.43 0.13 -1.88 -3.30 132.00 129.34 3mka h PRO 46 Ca -0.16 -0.26 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 3mka h PRO 46 Cb 1.14 -0.07 0.11 0.00 0.13 0.00 0.00 31.00 32.31 3mka h PRO 46 CO 0.27 0.87 0.56 0.45 -0.23 0.00 0.00 178.00 179.92 3mka s SER 47 N -6.32 5.59 -0.01 1.44 0.15 -1.26 -4.83 113.70 108.47 3mka s SER 47 Ca -0.13 2.58 0.21 0.00 0.70 0.00 0.00 55.95 59.32 3mka s SER 47 Cb 0.11 -2.62 -0.26 0.00 -1.71 0.00 0.00 66.02 61.54 3mka s SER 47 CO 0.81 -1.33 0.77 -1.14 1.20 0.00 0.00 173.24 173.54 3mka n ARG 48 N -0.85 0.25 -0.04 5.44 0.63 -1.26 -4.51 116.66 116.32 3mka n ARG 48 Ca 0.09 -0.06 0.02 0.00 -0.92 0.00 0.00 57.85 56.99 3mka n ARG 48 Cb 0.46 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.72 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 -1.72 0.36 -4.46 6.15 7.64 -1.26 -4.92 113.62 115.41 3mka n SER 49 Ca 0.02 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.49 3mka n SER 49 Cb 0.40 1.54 -0.11 0.00 -1.01 0.00 0.00 64.21 65.02 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 -4.81 4.52 0.50 -3.43 1.43 -1.26 -5.07 118.68 110.56 3mka s LEU 50 Ca -0.08 -0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 3mka s LEU 50 Cb 0.10 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 44.17 3mka s LEU 50 CO 0.81 -0.29 0.96 0.00 0.23 0.00 0.00 176.35 178.07 3mka s GLN 51 N 1.64 3.95 0.00 1.70 -2.07 -1.26 -4.87 119.66 118.76 3mka s GLN 51 Ca 0.05 0.92 0.00 0.00 -1.82 0.00 0.00 55.36 54.51 3mka s GLN 51 Cb -0.18 -2.16 0.00 0.00 -1.09 0.00 0.00 33.01 29.58 3mka s GLN 51 CO 0.08 -0.24 0.06 1.63 -1.32 0.00 0.00 175.29 175.50 3mka n LYS 52 N -1.51 2.22 -4.39 9.60 5.02 -1.26 -5.01 118.16 122.83 3mka n LYS 52 Ca 0.06 -0.06 -0.26 0.00 -2.02 0.00 0.00 58.31 56.04 3mka n LYS 52 Cb 0.54 -0.35 -0.17 0.00 -0.02 0.00 0.00 35.03 35.03 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 -0.33 1.16 0.15 -0.18 1.01 -1.26 -1.10 121.20 120.64 3mka s ILE 53 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 3mka s ILE 53 Cb 0.00 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 3mka s ILE 53 CO 0.00 0.37 0.18 -0.44 0.00 0.00 0.00 174.94 175.05 3mka s SER 54 N 0.98 0.17 0.08 3.58 0.01 0.34 -5.01 113.70 113.84 3mka s SER 54 Ca -0.08 -1.02 -0.24 0.00 1.31 0.00 0.00 55.95 55.91 3mka s SER 54 Cb -0.15 0.37 -0.06 0.00 0.21 0.00 0.00 66.02 66.39 3mka s SER 54 CO -0.00 -0.82 0.74 -0.70 0.41 0.00 0.00 173.24 172.87 3mka s GLU 55 N -4.00 4.48 -0.22 12.44 2.12 -1.26 -0.68 118.70 131.58 3mka s GLU 55 Ca 0.20 1.05 -0.13 0.00 0.36 0.00 0.00 54.97 56.45 3mka s GLU 55 Cb 0.05 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 31.03 3mka s GLU 55 CO 0.01 0.41 -0.30 1.28 -0.54 0.00 0.00 175.26 176.11 3mka n LEU 56 N 2.33 1.70 0.00 2.70 4.77 0.26 -4.86 117.00 123.90 3mka n LEU 56 Ca -0.04 0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 56.22 3mka n LEU 56 Cb 0.50 -0.69 -0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3mka n LEU 56 CO 0.46 0.34 0.00 0.00 -1.33 0.00 0.00 177.39 176.87 3mka n TYR 57 N -4.11 -0.31 -0.19 -1.77 9.36 -0.89 -4.72 117.16 114.53 3mka n TYR 57 Ca -0.41 -0.15 -0.12 0.00 3.32 0.00 0.00 57.90 60.55 3mka n TYR 57 Cb 0.76 0.03 -0.09 0.00 -0.63 0.00 0.00 39.34 39.41 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 0.12 -1.77 -0.22 2.98 3.32 -1.95 -2.95 116.42 115.95 3mka h ASP 58 Ca -0.02 0.24 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 3mka h ASP 58 Cb 0.07 0.74 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 3mka h ASP 58 CO 0.02 -0.33 -0.10 0.54 -1.72 0.00 0.00 179.24 177.65 3mka n ARG 59 N -5.10 1.99 -4.01 3.56 5.12 -1.26 -0.26 116.66 116.70 3mka n ARG 59 Ca -0.02 -3.02 -0.28 0.00 -1.93 0.00 0.00 57.85 52.60 3mka n ARG 59 Cb 0.29 -1.75 -0.17 0.00 -1.16 0.00 0.00 32.46 29.68 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 1.26 0.29 1.55 1.01 -1.12 -1.97 120.40 118.35 3mka s VAL 60 Ca 0.41 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.02 3mka s VAL 60 Cb 0.36 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3mka s VAL 60 CO 0.02 0.41 0.17 -0.83 0.00 0.00 0.00 175.10 174.86 3mka s GLY 61 N 1.54 1.63 -0.02 4.51 0.00 0.93 -0.58 107.32 115.34 3mka s GLY 61 Ca 0.03 -1.59 0.02 0.00 0.00 0.00 0.00 44.72 43.19 3mka s GLY 61 CO -0.08 -1.59 -0.06 -0.12 0.00 0.00 0.00 173.10 171.25 3mka s PHE 62 N -2.26 0.61 0.00 1.90 5.36 0.15 -1.00 117.98 122.73 3mka s PHE 62 Ca 0.35 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 3mka s PHE 62 Cb -0.06 -0.44 -0.00 0.00 -0.34 0.00 0.00 43.02 42.17 3mka s PHE 62 CO 0.24 -0.06 -0.00 0.00 -1.46 0.00 0.00 175.22 173.94 3mka s ALA 63 N 0.15 0.02 0.12 11.12 0.00 -0.09 -0.50 121.76 132.58 3mka s ALA 63 Ca -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 3mka s ALA 63 Cb -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3mka s ALA 63 CO -0.00 -0.01 0.13 0.00 0.00 0.00 0.00 175.76 175.88 3mka s ALA 64 N -0.09 0.42 0.01 0.00 0.00 -0.26 -0.37 121.76 121.47 3mka s ALA 64 Ca -0.01 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.80 3mka s ALA 64 Cb -0.01 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 3mka s ALA 64 CO -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 175.76 175.21 3mka s ALA 65 N -3.98 0.18 0.00 0.00 0.00 -0.50 -4.85 121.76 112.61 3mka s ALA 65 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3mka s ALA 65 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.22 3mka s ALA 65 CO -0.02 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3mka n GLY 66 N 2.33 0.84 3.65 0.00 0.00 -1.26 -0.80 105.19 109.95 3mka n GLY 66 Ca -0.18 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.75 4.06 0.10 1.61 2.20 -0.17 -4.89 119.74 120.90 3mka s LYS 67 Ca 0.00 1.58 -0.30 0.00 -0.36 0.00 0.00 55.97 56.89 3mka s LYS 67 Cb 0.00 -3.87 -0.12 0.00 -1.51 0.00 0.00 37.83 32.33 3mka s LYS 67 CO 0.00 -0.94 1.49 0.35 -0.36 0.00 0.00 175.35 175.89 3mka h PHE 68 N 9.08 -1.43 -1.10 4.03 3.57 -1.95 -1.19 116.94 127.95 3mka h PHE 68 Ca -0.29 0.05 0.31 0.00 3.53 0.00 0.00 57.97 61.57 3mka h PHE 68 Cb 1.12 0.63 -0.10 0.00 2.79 0.00 0.00 35.95 40.38 3mka h PHE 68 CO 0.85 -0.50 0.70 -2.95 -2.23 0.00 0.00 178.31 174.18 3mka h ASN 69 N -0.57 0.41 0.14 0.41 7.08 -1.99 0.13 115.58 121.19 3mka h ASN 69 Ca 0.02 0.10 -0.20 0.00 -3.08 0.00 0.00 56.30 53.14 3mka h ASN 69 Cb 0.63 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.91 3mka h ASN 69 CO -0.35 0.01 -0.78 -0.33 -2.08 0.00 0.00 177.43 173.91 3mka h GLU 70 N 0.32 0.53 0.00 4.14 5.08 -1.66 -2.74 114.58 120.26 3mka h GLU 70 Ca 0.65 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3mka h GLU 70 Cb 1.75 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.10 3mka h GLU 70 CO -0.34 1.08 -0.74 0.27 -1.00 0.00 0.00 179.01 178.28 3mka h PHE 71 N 0.35 0.00 -0.41 4.33 -5.15 -0.28 -3.00 116.94 112.79 3mka h PHE 71 Ca -0.05 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.57 3mka h PHE 71 Cb 1.38 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.54 3mka h PHE 71 CO 0.06 0.00 -0.34 0.22 -2.00 0.00 0.00 178.31 176.25 3mka h ASP 72 N 0.00 0.99 -0.69 -0.68 3.58 -0.85 0.39 116.42 119.16 3mka h ASP 72 Ca 0.00 -0.43 0.08 0.00 0.42 0.00 0.00 57.03 57.10 3mka h ASP 72 Cb 0.76 -0.28 -0.07 0.00 1.72 0.00 0.00 39.33 41.47 3mka h ASP 72 CO 0.00 1.23 0.35 -1.13 -2.88 0.00 0.00 179.24 176.81 3mka h ASN 73 N 0.78 0.48 1.28 2.28 -0.73 -1.47 -0.16 115.58 118.04 3mka h ASN 73 Ca 0.07 0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.25 3mka h ASN 73 Cb 0.93 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.47 3mka h ASN 73 CO 0.09 0.29 -0.22 -0.07 -0.37 0.00 0.00 177.43 177.14 3mka h LEU 74 N 0.62 0.00 -0.11 0.34 4.07 -1.30 -2.57 115.31 116.37 3mka h LEU 74 Ca 0.33 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.21 3mka h LEU 74 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 3mka h LEU 74 CO -0.24 0.22 -0.24 -0.09 -1.08 0.00 0.00 178.44 177.01 3mka h ARG 75 N 0.00 0.35 0.30 1.13 2.43 0.81 -2.55 114.38 116.86 3mka h ARG 75 Ca -0.00 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3mka h ARG 75 Cb 0.92 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3mka h ARG 75 CO 0.03 0.84 -0.30 0.00 -1.51 0.00 0.00 179.97 179.03 3mka h ARG 76 N -0.08 -0.60 -0.08 0.20 3.08 -1.22 -1.28 114.38 114.39 3mka h ARG 76 Ca -0.00 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.11 3mka h ARG 76 Cb 0.84 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 3mka h ARG 76 CO 0.05 -0.40 0.07 0.78 -1.07 0.00 0.00 179.97 179.40 3mka h GLY 77 N -0.63 0.00 1.56 0.04 0.00 -1.52 0.71 103.07 103.23 3mka h GLY 77 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.07 3mka h GLY 77 CO -0.06 0.00 -1.05 -1.33 0.00 0.00 0.00 176.54 174.10 3mka h GLY 78 N 0.00 0.42 1.38 4.60 0.00 -0.93 -0.84 103.07 107.69 3mka h GLY 78 Ca 0.04 -0.83 -0.09 0.00 0.00 0.00 0.00 47.33 46.45 3mka h GLY 78 CO -0.00 0.73 -0.10 -2.22 0.00 0.00 0.00 176.54 174.96 3mka h ILE 79 N 0.18 1.25 -0.44 2.60 2.04 -0.09 -0.87 117.51 122.18 3mka h ILE 79 Ca -0.10 -1.13 -0.10 0.00 1.00 0.00 0.00 64.86 64.52 3mka h ILE 79 Cb 1.72 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3mka h ILE 79 CO 0.18 0.39 -0.12 1.56 0.00 0.00 0.00 178.15 180.15 3mka h GLN 80 N 0.68 0.86 -0.52 2.37 4.20 -0.75 -1.79 115.11 120.16 3mka h GLN 80 Ca 0.12 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 3mka h GLN 80 Cb 0.56 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3mka h GLN 80 CO 0.03 0.97 0.07 0.35 -0.67 0.00 0.00 178.83 179.59 3mka h PHE 81 N 0.69 0.92 -0.16 2.96 3.57 -0.98 -1.93 116.94 122.01 3mka h PHE 81 Ca 0.11 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 3mka h PHE 81 Cb 0.67 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3mka h PHE 81 CO 0.05 0.84 -0.17 0.00 -2.23 0.00 0.00 178.31 176.79 3mka h ALA 82 N 0.97 0.24 -0.63 2.41 0.00 -1.10 -2.14 119.26 119.00 3mka h ALA 82 Ca 0.16 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3mka h ALA 82 Cb 0.42 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3mka h ALA 82 CO 0.01 0.15 0.40 -0.44 0.00 0.00 0.00 179.25 179.37 3mka h ASP 83 N 0.04 0.67 -0.45 0.00 3.32 -1.36 -0.81 116.42 117.84 3mka h ASP 83 Ca 0.02 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3mka h ASP 83 Cb 0.71 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3mka h ASP 83 CO 0.04 0.47 0.26 0.74 -1.72 0.00 0.00 179.24 179.03 3mka h THR 84 N 0.80 1.15 -0.04 0.35 2.02 -1.31 -1.75 112.91 114.13 3mka h THR 84 Ca 0.25 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 3mka h THR 84 Cb -0.02 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3mka h THR 84 CO -0.09 0.15 -0.53 0.03 0.37 0.00 0.00 175.52 175.46 3mka h ARG 85 N 0.59 0.11 0.00 6.66 2.47 -1.17 -0.85 114.38 122.20 3mka h ARG 85 Ca 0.16 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.79 3mka h ARG 85 Cb 0.02 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3mka h ARG 85 CO -0.03 0.61 -0.12 0.78 0.56 0.00 0.00 179.97 181.77 3mka h GLY 86 N 1.49 0.00 0.27 0.04 0.00 -0.78 -2.14 103.07 101.95 3mka h GLY 86 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3mka h GLY 86 CO 0.07 0.00 -0.66 -1.82 0.00 0.00 0.00 176.54 174.13 3mka h TYR 87 N 0.00 0.21 0.00 5.60 3.20 -0.88 -3.17 116.97 121.94 3mka h TYR 87 Ca -0.00 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 3mka h TYR 87 Cb 0.81 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 3mka h TYR 87 CO 0.00 1.26 -0.06 0.00 -1.64 0.00 0.00 178.16 177.72 3mka h ALA 88 N -0.07 1.08 -3.00 1.82 0.00 -1.13 -3.43 119.26 114.53 3mka h ALA 88 Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3mka h ALA 88 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3mka h ALA 88 CO 0.01 0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.99 3mka n TYR 89 N -3.28 0.00 -4.12 0.00 4.01 -0.81 -5.09 117.16 107.87 3mka n TYR 89 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.61 3mka n TYR 89 Cb 0.24 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.05 0.38 7.72 2.15 -1.22 -4.92 116.67 122.82 3mka s ASP 90 Ca 0.00 -0.75 0.17 0.00 0.43 0.00 0.00 52.55 52.39 3mka s ASP 90 Cb 0.00 0.05 1.07 0.00 -0.30 0.00 0.00 42.92 43.74 3mka s ASP 90 CO 0.00 -0.31 1.74 0.03 -0.17 0.00 0.00 175.17 176.46 3mka h ARG 91 N 3.81 0.40 0.00 4.34 3.08 -1.87 0.19 114.38 124.32 3mka h ARG 91 Ca -0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3mka h ARG 91 Cb 1.19 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3mka h ARG 91 CO 0.51 0.27 0.00 -2.13 -1.07 0.00 0.00 179.97 177.55 3mka n ARG 92 N -4.73 0.34 0.00 0.04 3.00 -1.26 -2.42 116.66 111.63 3mka n ARG 92 Ca 0.27 0.09 0.12 0.00 -0.00 0.00 0.00 57.85 58.32 3mka n ARG 92 Cb 0.90 -1.50 0.12 0.00 0.00 0.00 0.00 32.46 31.98 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 -1.19 1.20 -4.68 6.15 8.00 0.65 -4.86 116.55 121.82 3mka n ASP 93 Ca 0.10 -0.97 -0.41 0.00 0.71 0.00 0.00 54.79 54.22 3mka n ASP 93 Cb 0.11 0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.72 4.91 0.15 2.53 1.01 -1.02 -5.02 120.40 120.25 3mka s VAL 94 Ca 0.16 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.84 3mka s VAL 94 Cb 0.18 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3mka s VAL 94 CO 0.66 0.08 -0.18 0.42 0.00 0.00 0.00 175.10 176.07 3mka s THR 95 N 1.84 1.72 0.16 3.92 -4.23 -1.26 -5.02 115.64 112.76 3mka s THR 95 Ca 0.39 -1.85 -0.16 0.00 -1.18 0.00 0.00 61.69 58.89 3mka s THR 95 Cb -0.17 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.93 3mka s THR 95 CO 0.14 -0.31 1.77 1.23 -0.54 0.00 0.00 174.62 176.91 3mka h GLY 96 N 3.37 0.51 -0.06 3.99 0.00 -1.92 -1.21 103.07 107.74 3mka h GLY 96 Ca -0.42 -0.13 0.22 0.00 0.00 0.00 0.00 47.33 47.01 3mka h GLY 96 CO 0.50 0.09 0.56 -0.09 0.00 0.00 0.00 176.54 177.60 3mka h ARG 97 N 0.37 0.58 -0.29 4.80 2.43 -1.95 -0.72 114.38 119.60 3mka h ARG 97 Ca 0.16 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 3mka h ARG 97 Cb 0.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3mka h ARG 97 CO -0.12 0.39 -0.23 1.96 -1.51 0.00 0.00 179.97 180.45 3mka h GLN 98 N 0.60 0.67 -0.82 0.20 4.20 -1.65 -1.59 115.11 116.73 3mka h GLN 98 Ca 0.61 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3mka h GLN 98 Cb 1.09 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.83 3mka h GLN 98 CO -0.45 0.94 0.46 -0.07 -0.67 0.00 0.00 178.83 179.03 3mka h LEU 99 N 0.41 1.01 -0.28 1.46 -0.00 -0.92 -1.21 115.31 115.79 3mka h LEU 99 Ca 0.05 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.81 3mka h LEU 99 Cb 0.79 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 3mka h LEU 99 CO 0.06 0.80 0.02 0.00 -0.00 0.00 0.00 178.44 179.32 3mka h ALA 100 N 1.36 0.38 -0.66 1.53 0.00 -1.02 -1.56 119.26 119.28 3mka h ALA 100 Ca 0.29 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3mka h ALA 100 Cb 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3mka h ALA 100 CO -0.05 0.10 0.44 -0.97 0.00 0.00 0.00 179.25 178.77 3mka h ASN 101 N 0.28 0.61 -0.08 0.00 -0.73 -0.95 -1.18 115.58 113.54 3mka h ASN 101 Ca 0.08 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.21 3mka h ASN 101 Cb 0.39 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.85 3mka h ASN 101 CO 0.01 0.40 -0.11 0.58 -0.37 0.00 0.00 177.43 177.95 3mka h VAL 102 N 0.70 1.39 -0.87 2.57 2.07 -0.86 -2.32 116.25 118.94 3mka h VAL 102 Ca 0.28 -1.34 0.06 0.00 0.82 0.00 0.00 66.70 66.53 3mka h VAL 102 Cb 0.22 2.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 3mka h VAL 102 CO -0.09 0.37 0.54 1.88 0.02 0.00 0.00 177.57 180.29 3mka h TYR 103 N -0.25 0.99 -0.04 1.57 0.05 -0.79 0.73 116.97 119.23 3mka h TYR 103 Ca 0.01 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.85 3mka h TYR 103 Cb 0.65 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.04 3mka h TYR 103 CO 0.10 0.50 -0.17 0.00 -1.05 0.00 0.00 178.16 177.55 3mka h ALA 104 N 1.41 -0.17 -0.78 3.88 0.00 -1.17 0.14 119.26 122.57 3mka h ALA 104 Ca 0.38 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.32 3mka h ALA 104 Cb 0.18 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3mka h ALA 104 CO -0.17 -0.65 0.51 0.37 0.00 0.00 0.00 179.25 179.31 3mka h GLN 105 N -0.26 1.01 0.33 0.00 5.75 -0.80 0.56 115.11 121.71 3mka h GLN 105 Ca 0.07 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3mka h GLN 105 Cb 0.35 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3mka h GLN 105 CO -0.19 0.67 -0.16 1.15 -2.65 0.00 0.00 178.83 177.65 3mka h THR 106 N 1.04 0.66 -0.72 2.39 2.02 -0.22 -1.21 112.91 116.89 3mka h THR 106 Ca 0.29 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3mka h THR 106 Cb -0.10 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3mka h THR 106 CO -0.07 0.10 0.46 -0.07 0.37 0.00 0.00 175.52 176.31 3mka h LEU 107 N -0.75 0.84 -0.96 2.58 3.38 -0.71 0.12 115.31 119.82 3mka h LEU 107 Ca -0.05 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.03 3mka h LEU 107 Cb 0.50 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 3mka h LEU 107 CO 0.07 0.63 0.57 1.23 0.09 0.00 0.00 178.44 181.03 3mka h GLY 108 N 0.98 1.61 1.11 0.83 0.00 -0.80 0.11 103.07 106.90 3mka h GLY 108 Ca 0.26 -0.36 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 3mka h GLY 108 CO -0.05 0.04 -1.05 -0.84 0.00 0.00 0.00 176.54 174.63 3mka h THR 109 N 0.82 1.32 -0.39 4.70 2.02 0.06 -2.90 112.91 118.53 3mka h THR 109 Ca 0.51 -2.34 0.03 0.00 0.77 0.00 0.00 66.41 65.38 3mka h THR 109 Cb 0.66 2.62 -0.03 0.00 -1.74 0.00 0.00 68.15 69.66 3mka h THR 109 CO -0.33 0.71 0.20 0.40 0.37 0.00 0.00 175.52 176.88 3mka h ILE 110 N 0.20 0.99 -0.71 3.11 2.04 -0.24 0.17 117.51 123.08 3mka h ILE 110 Ca -0.15 -0.14 0.12 0.00 1.00 0.00 0.00 64.86 65.69 3mka h ILE 110 Cb 1.74 0.54 -0.09 0.00 -0.74 0.00 0.00 36.82 38.27 3mka h ILE 110 CO 0.20 0.08 0.29 0.15 0.00 0.00 0.00 178.15 178.87 3mka h PHE 111 N 0.42 0.50 0.07 1.37 3.57 -0.84 0.13 116.94 122.15 3mka h PHE 111 Ca 0.16 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.44 3mka h PHE 111 Cb 0.06 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3mka h PHE 111 CO -0.09 0.10 -1.21 1.15 -2.23 0.00 0.00 178.31 176.02 3mka h THR 112 N 0.46 1.50 0.00 4.41 2.02 -1.24 -3.41 112.91 116.65 3mka h THR 112 Ca 0.38 -3.15 0.00 0.00 0.77 0.00 0.00 66.41 64.40 3mka h THR 112 Cb 0.52 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 3mka h THR 112 CO -0.36 0.90 -1.17 -0.62 0.37 0.00 0.00 175.52 174.64 3mka n GLU 113 N -3.42 1.38 -2.36 6.66 -0.58 0.57 -5.03 120.64 117.85 3mka n GLU 113 Ca -0.07 -0.07 -0.28 0.00 -0.42 0.00 0.00 57.16 56.33 3mka n GLU 113 Cb 1.00 -1.17 0.01 0.00 -0.57 0.00 0.00 31.44 30.71 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 3.35 0.23 3.49 -1.52 0.01 -4.98 119.66 117.73 3mka s GLN 114 Ca -0.01 0.28 -0.08 0.00 -1.95 0.00 0.00 55.36 53.59 3mka s GLN 114 Cb 0.07 -2.26 0.20 0.00 -0.22 0.00 0.00 33.01 30.80 3mka s GLN 114 CO 0.44 -0.47 1.88 0.00 -0.25 0.00 0.00 175.29 176.89 3mka h ALA 115 N -0.05 1.10 -3.34 6.09 0.00 -1.96 -3.41 119.26 117.69 3mka h ALA 115 Ca -0.46 -0.09 -0.44 0.00 0.00 0.00 0.00 54.91 53.92 3mka h ALA 115 Cb 1.22 -0.35 -0.36 0.00 0.00 0.00 0.00 17.79 18.30 3mka h ALA 115 CO 0.62 0.55 -0.78 0.21 0.00 0.00 0.00 179.25 179.85 3mka s LYS 116 N -6.00 0.92 1.25 0.00 2.20 -1.26 -5.14 119.74 111.70 3mka s LYS 116 Ca -0.13 -0.08 -0.16 0.00 -0.36 0.00 0.00 55.97 55.25 3mka s LYS 116 Cb 0.16 -1.04 0.31 0.00 -1.51 0.00 0.00 37.83 35.76 3mka s LYS 116 CO 0.81 -0.18 1.00 -1.25 -0.36 0.00 0.00 175.35 175.37 3mka s PRO 117 N 1.38 -1.59 -0.05 4.03 0.04 -1.26 -4.94 135.00 132.61 3mka s PRO 117 Ca -0.03 0.56 -0.23 0.00 0.04 0.00 0.00 61.00 61.34 3mka s PRO 117 Cb -0.13 -1.50 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 3mka s PRO 117 CO -0.03 -4.10 0.70 0.71 0.04 0.00 0.00 177.00 174.32 3mka s TYR 118 N -2.43 3.59 -1.30 0.56 1.51 -1.26 -4.94 117.35 113.09 3mka s TYR 118 Ca 0.68 1.26 -0.10 0.00 -1.01 0.00 0.00 57.07 57.91 3mka s TYR 118 Cb -0.21 -2.80 0.15 0.00 -0.11 0.00 0.00 41.96 39.00 3mka s TYR 118 CO 0.62 0.12 1.90 0.39 -1.11 0.00 0.00 175.55 177.47 3mka n GLU 119 N 3.65 3.53 -3.84 -0.62 1.02 -1.26 -4.70 120.64 118.42 3mka n GLU 119 Ca -0.02 -3.43 -0.09 0.00 -0.02 0.00 0.00 57.16 53.60 3mka n GLU 119 Cb 0.51 -2.97 -0.07 0.00 -0.02 0.00 0.00 31.44 28.89 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 0.74 0.13 -0.02 2.62 -7.23 -1.26 -1.00 120.40 114.38 3mka s VAL 120 Ca 0.40 -1.08 -0.00 0.00 -1.81 0.00 0.00 61.98 59.50 3mka s VAL 120 Cb 0.10 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.84 3mka s VAL 120 CO -0.01 -0.60 0.03 -0.70 -0.31 0.00 0.00 175.10 173.51 3mka s GLU 121 N -3.50 -0.02 0.10 4.82 2.12 0.02 -3.19 118.70 119.05 3mka s GLU 121 Ca 0.02 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.50 3mka s GLU 121 Cb 0.03 -0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.21 3mka s GLU 121 CO -0.09 -0.12 -0.04 -0.48 -0.54 0.00 0.00 175.26 174.00 3mka s LEU 122 N 0.74 2.39 -0.11 2.70 0.05 -0.69 -1.40 118.68 122.36 3mka s LEU 122 Ca -0.06 -1.04 0.03 0.00 0.05 0.00 0.00 54.13 53.10 3mka s LEU 122 Cb -0.09 0.02 0.01 0.00 -2.05 0.00 0.00 46.19 44.08 3mka s LEU 122 CO -0.02 -0.53 -0.20 0.00 -0.55 0.00 0.00 176.35 175.04 3mka s VAL 124 N 0.63 3.02 0.03 0.00 1.01 -0.82 -0.91 120.40 123.35 3mka s VAL 124 Ca -0.13 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.31 3mka s VAL 124 Cb -0.16 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3mka s VAL 124 CO 0.03 0.47 -0.25 0.00 0.00 0.00 0.00 175.10 175.35 3mka s ALA 125 N 1.13 2.16 -0.06 5.51 0.00 -0.17 -1.17 121.76 129.15 3mka s ALA 125 Ca 0.01 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 3mka s ALA 125 Cb -0.14 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.53 3mka s ALA 125 CO -0.03 0.51 -0.01 -2.00 0.00 0.00 0.00 175.76 174.24 3mka s GLU 126 N -1.09 0.57 0.53 0.00 2.12 -0.56 -0.05 118.70 120.22 3mka s GLU 126 Ca 0.11 0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.57 3mka s GLU 126 Cb -0.10 -0.85 0.05 0.00 0.26 0.00 0.00 34.13 33.50 3mka s GLU 126 CO 0.01 -0.23 0.72 0.14 -0.54 0.00 0.00 175.26 175.37 3mka s VAL 127 N 1.62 2.58 0.78 3.70 -7.23 -0.83 -1.69 120.40 119.33 3mka s VAL 127 Ca -0.01 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.16 3mka s VAL 127 Cb -0.13 -2.70 0.06 0.00 0.56 0.00 0.00 36.38 34.17 3mka s VAL 127 CO -0.03 0.00 1.11 0.00 -0.31 0.00 0.00 175.10 175.86 3mka s ALA 128 N -2.62 2.48 0.47 1.32 0.00 -1.26 -4.88 121.76 117.28 3mka s ALA 128 Ca 0.59 -0.33 -0.20 0.00 0.00 0.00 0.00 51.96 52.02 3mka s ALA 128 Cb -0.08 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 3mka s ALA 128 CO 0.37 -1.56 1.00 -1.01 0.00 0.00 0.00 175.76 174.56 3mka s HIS 129 N -3.28 3.16 -0.29 0.00 3.76 -1.26 -4.79 115.29 112.58 3mka s HIS 129 Ca 0.60 1.58 -0.42 0.00 -0.15 0.00 0.00 55.06 56.68 3mka s HIS 129 Cb -0.13 -2.95 -0.17 0.00 1.11 0.00 0.00 32.58 30.44 3mka s HIS 129 CO 0.53 -0.49 1.65 0.98 -0.85 0.00 0.00 174.74 176.55 3mka n TYR 130 N -0.91 1.87 0.00 1.40 9.36 -1.26 0.34 117.16 127.96 3mka n TYR 130 Ca 0.08 0.73 0.00 0.00 3.32 0.00 0.00 57.90 62.03 3mka n TYR 130 Cb 0.53 -2.37 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 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 3.89 2.96 3.79 2.98 0.00 -1.26 -5.04 105.19 112.50 3mka n GLY 131 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.14 0.61 -0.32 1.61 2.02 0.15 -5.04 118.70 117.59 3mka s GLU 132 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 54.97 55.02 3mka s GLU 132 Cb 0.00 -1.80 0.11 0.00 0.10 0.00 0.00 34.13 32.54 3mka s GLU 132 CO 0.00 -2.51 0.14 0.95 0.02 0.00 0.00 175.26 173.86 3mka s THR 133 N -3.39 0.49 0.00 3.63 -4.23 -1.26 -4.79 115.64 106.09 3mka s THR 133 Ca 0.67 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 3mka s THR 133 Cb -0.11 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 3mka s THR 133 CO 0.53 -0.76 -0.04 -0.75 -0.54 0.00 0.00 174.62 173.07 3mka s LYS 134 N 1.61 0.35 0.27 3.99 2.20 -1.26 -5.11 119.74 121.79 3mka s LYS 134 Ca 0.11 -0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 55.22 3mka s LYS 134 Cb -0.18 -0.31 -0.10 0.00 -1.51 0.00 0.00 37.83 35.73 3mka s LYS 134 CO -0.24 0.08 1.30 1.03 -0.36 0.00 0.00 175.35 177.16 3mka s ARG 135 N -0.24 4.39 0.61 4.03 0.52 -1.26 -4.41 118.95 122.59 3mka s ARG 135 Ca 0.00 2.12 -0.20 0.00 -0.52 0.00 0.00 55.73 57.14 3mka s ARG 135 Cb -0.02 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 3mka s ARG 135 CO -0.00 -0.18 1.33 -2.14 0.02 0.00 0.00 175.30 174.32 3mka s PRO 136 N -1.05 2.79 -0.06 3.54 0.02 -1.26 -4.87 135.00 134.12 3mka s PRO 136 Ca 0.52 2.15 0.05 0.00 0.02 0.00 0.00 61.00 63.74 3mka s PRO 136 Cb -0.38 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.11 3mka s PRO 136 CO 0.46 -1.44 -0.21 -1.21 -0.33 0.00 0.00 177.00 174.27 3mka s GLU 137 N -3.18 2.55 -0.02 5.54 2.02 -0.68 -4.98 118.70 119.94 3mka s GLU 137 Ca 0.78 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.98 3mka s GLU 137 Cb -0.39 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 3mka s GLU 137 CO 0.43 0.46 -0.14 -0.51 0.02 0.00 0.00 175.26 175.52 3mka s LEU 138 N -0.34 1.93 0.03 1.80 1.43 -1.24 -1.50 118.68 120.79 3mka s LEU 138 Ca 0.02 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 3mka s LEU 138 Cb -0.12 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 3mka s LEU 138 CO 0.02 0.14 -0.12 -0.31 0.23 0.00 0.00 176.35 176.31 3mka s TYR 139 N -0.09 1.07 -0.09 0.29 2.02 -0.32 -1.55 117.35 118.68 3mka s TYR 139 Ca 0.01 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.40 3mka s TYR 139 Cb -0.08 -0.64 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 3mka s TYR 139 CO 0.01 0.01 -0.21 0.50 -1.57 0.00 0.00 175.55 174.29 3mka s ARG 140 N -1.06 2.63 -0.13 -0.62 3.52 -0.09 -1.95 118.95 121.25 3mka s ARG 140 Ca 0.00 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.88 3mka s ARG 140 Cb -0.07 -2.03 0.01 0.00 -1.56 0.00 0.00 34.95 31.30 3mka s ARG 140 CO 0.01 0.15 -0.19 0.42 -0.81 0.00 0.00 175.30 174.87 3mka s ILE 141 N 0.40 1.83 0.63 4.11 1.09 0.92 -0.47 121.20 129.70 3mka s ILE 141 Ca -0.17 -0.84 -0.07 0.00 -1.10 0.00 0.00 60.65 58.47 3mka s ILE 141 Cb -0.17 -1.63 0.01 0.00 -1.06 0.00 0.00 42.46 39.61 3mka s ILE 141 CO 0.07 0.51 0.96 0.42 -0.10 0.00 0.00 174.94 176.79 3mka s THR 142 N 0.88 3.52 0.40 2.92 -4.23 -0.01 -1.71 115.64 117.41 3mka s THR 142 Ca -0.07 0.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.60 3mka s THR 142 Cb -0.15 -3.43 0.26 0.00 1.34 0.00 0.00 72.50 70.52 3mka s THR 142 CO -0.02 -0.47 2.05 0.10 -0.54 0.00 0.00 174.62 175.75 3mka h TYR 143 N -0.32 0.54 -0.03 3.99 -0.00 -1.83 0.11 116.97 119.43 3mka h TYR 143 Ca -0.45 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.27 3mka h TYR 143 Cb 1.26 -0.18 -0.00 0.00 0.00 0.00 0.00 36.73 37.80 3mka h TYR 143 CO 0.47 0.34 -0.08 0.22 -0.00 0.00 0.00 178.16 179.11 3mka h ASP 144 N 0.58 0.04 0.00 0.10 -0.00 -1.89 -3.40 116.42 111.85 3mka h ASP 144 Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 3mka h ASP 144 Cb -0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.25 3mka h ASP 144 CO -0.03 0.13 0.00 0.61 -0.00 0.00 0.00 179.24 179.95 3mka n GLY 145 N -1.24 0.72 3.77 -0.78 0.00 0.37 -4.24 105.19 103.79 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 -1.92 6.12 0.00 1.61 0.01 -1.26 -4.71 113.70 113.56 3mka s SER 146 Ca 0.00 2.29 0.05 0.00 1.31 0.00 0.00 55.95 59.60 3mka s SER 146 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 3mka s SER 146 CO 0.00 -0.95 -0.16 -0.51 0.41 0.00 0.00 173.24 172.02 3mka s ILE 147 N -1.57 1.29 0.01 1.44 2.07 -1.26 -0.83 121.20 122.35 3mka s ILE 147 Ca 0.65 -0.81 0.03 0.00 -1.41 0.00 0.00 60.65 59.11 3mka s ILE 147 Cb -0.28 -1.10 -0.01 0.00 0.13 0.00 0.00 42.46 41.20 3mka s ILE 147 CO 0.34 0.27 -0.10 0.00 -1.91 0.00 0.00 174.94 173.54 3mka s ALA 148 N -0.52 0.83 -0.66 1.50 0.00 0.38 -4.96 121.76 118.33 3mka s ALA 148 Ca 0.06 -0.51 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 3mka s ALA 148 Cb -0.07 -0.17 0.13 0.00 0.00 0.00 0.00 23.12 23.01 3mka s ALA 148 CO 0.00 0.18 0.74 0.34 0.00 0.00 0.00 175.76 177.02 3mka s ASP 149 N -0.51 6.32 -0.18 0.00 -1.08 -1.26 -0.91 116.67 119.05 3mka s ASP 149 Ca 0.02 -1.73 -0.18 0.00 -0.52 0.00 0.00 52.55 50.15 3mka s ASP 149 Cb -0.05 -2.29 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 3mka s ASP 149 CO 0.00 -1.01 0.48 -1.61 0.52 0.00 0.00 175.17 173.55 3mka s GLU 150 N 2.21 4.23 0.21 4.34 0.41 -0.60 -5.00 118.70 124.51 3mka s GLU 150 Ca 0.14 0.37 -0.00 0.00 -0.41 0.00 0.00 54.97 55.07 3mka s GLU 150 Cb -0.20 -3.52 0.18 0.00 -1.78 0.00 0.00 34.13 28.81 3mka s GLU 150 CO 0.02 -0.03 1.54 -1.35 -0.49 0.00 0.00 175.26 174.95 3mka h PRO 151 N 7.21 0.45 0.00 0.39 0.11 -1.95 -3.30 132.00 134.91 3mka h PRO 151 Ca -0.36 -0.28 0.00 0.00 0.11 0.00 0.00 66.00 65.46 3mka h PRO 151 Cb 1.16 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mka h PRO 151 CO 0.74 0.88 -0.57 0.72 -0.21 0.00 0.00 178.00 179.56 3mka n HIS 152 N -3.94 0.00 -3.69 0.65 8.25 -1.26 -4.87 115.22 110.35 3mka n HIS 152 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 3mka n HIS 152 Cb 0.59 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.57 -0.17 0.02 4.41 -0.12 -1.26 -0.54 117.98 118.74 3mka s PHE 153 Ca 0.00 -0.15 0.01 0.00 -0.05 0.00 0.00 56.93 56.74 3mka s PHE 153 Cb 0.00 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 3mka s PHE 153 CO 0.00 -0.88 -0.04 0.08 -0.05 0.00 0.00 175.22 174.33 3mka s VAL 154 N -3.85 0.29 -0.02 -2.49 1.01 0.20 -4.87 120.40 110.67 3mka s VAL 154 Ca 0.07 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3mka s VAL 154 Cb -0.01 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.04 3mka s VAL 154 CO -0.05 -0.22 -0.06 -0.69 0.00 0.00 0.00 175.10 174.07 3mka s VAL 155 N -0.84 0.59 0.05 2.92 1.01 -1.26 -0.58 120.40 122.28 3mka s VAL 155 Ca -0.07 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 3mka s VAL 155 Cb -0.06 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.80 3mka s VAL 155 CO -0.00 0.20 0.31 -0.04 0.00 0.00 0.00 175.10 175.56 3mka s MET 156 N 0.27 0.82 0.00 2.72 -1.94 -0.43 -5.01 119.30 115.73 3mka s MET 156 Ca -0.03 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 3mka s MET 156 Cb -0.08 0.36 0.00 0.00 2.01 0.00 0.00 34.83 37.12 3mka s MET 156 CO 0.00 -0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.15 3mka n GLY 157 N 0.54 -0.21 7.00 -0.03 0.00 -1.26 -0.06 105.19 111.17 3mka n GLY 157 Ca -0.18 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.54 2.69 3.54 -0.02 0.00 0.12 -4.20 105.19 107.86 3mka n GLY 158 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 5.04 -0.76 2.61 -4.23 -1.26 -4.36 115.64 112.68 3mka s THR 159 Ca 0.00 0.20 0.21 0.00 -1.18 0.00 0.00 61.69 60.93 3mka s THR 159 Cb 0.00 -3.96 -0.24 0.00 1.34 0.00 0.00 72.50 69.64 3mka s THR 159 CO 0.00 -0.24 0.84 0.35 -0.54 0.00 0.00 174.62 175.02 3mka n THR 160 N 5.42 0.01 -0.15 3.99 -2.24 -1.26 -4.26 114.28 115.79 3mka n THR 160 Ca -0.06 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 3mka n THR 160 Cb 0.49 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3mka n THR 160 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3mka h GLU 161 N 0.00 0.64 -0.33 -0.78 4.39 -1.96 0.05 114.58 116.59 3mka h GLU 161 Ca 0.00 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3mka h GLU 161 Cb 0.63 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3mka h GLU 161 CO 0.00 0.56 0.04 -1.00 -1.16 0.00 0.00 179.01 177.45 3mka h PRO 162 N 0.56 0.56 -0.54 2.33 0.13 -1.91 -2.56 132.00 130.58 3mka h PRO 162 Ca 0.15 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 3mka h PRO 162 Cb 0.15 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.19 3mka h PRO 162 CO -0.02 0.66 0.06 0.82 -0.23 0.00 0.00 178.00 179.30 3mka h ILE 163 N 0.39 1.26 -0.57 -3.56 2.04 -1.70 -1.75 117.51 113.61 3mka h ILE 163 Ca 0.10 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3mka h ILE 163 Cb 0.38 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3mka h ILE 163 CO 0.01 0.36 0.25 0.00 0.00 0.00 0.00 178.15 178.76 3mka h ALA 164 N 0.98 0.73 -0.56 1.87 0.00 -0.99 -2.50 119.26 118.79 3mka h ALA 164 Ca 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3mka h ALA 164 Cb 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3mka h ALA 164 CO 0.02 0.33 0.18 -0.91 0.00 0.00 0.00 179.25 178.86 3mka h ASN 165 N 0.77 0.81 -0.71 0.00 2.35 -1.31 -0.68 115.58 116.80 3mka h ASN 165 Ca 0.19 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3mka h ASN 165 Cb 0.17 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 3mka h ASN 165 CO -0.02 0.80 0.40 0.00 -1.65 0.00 0.00 177.43 176.96 3mka h ALA 166 N 1.04 1.34 -0.24 -0.83 0.00 -1.16 -0.72 119.26 118.70 3mka h ALA 166 Ca 0.18 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3mka h ALA 166 Cb 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mka h ALA 166 CO -0.01 0.54 -0.18 1.25 0.00 0.00 0.00 179.25 180.85 3mka h LEU 167 N 1.01 0.57 -0.88 0.00 5.85 -1.20 -2.63 115.31 118.03 3mka h LEU 167 Ca 0.26 -0.45 0.09 0.00 0.84 0.00 0.00 57.88 58.62 3mka h LEU 167 Cb 0.02 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.81 3mka h LEU 167 CO -0.04 0.90 0.54 0.50 -0.34 0.00 0.00 178.44 179.99 3mka h LYS 168 N 0.25 0.89 -0.71 1.25 3.64 -0.44 0.82 116.57 122.27 3mka h LYS 168 Ca 0.05 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3mka h LYS 168 Cb 0.71 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3mka h LYS 168 CO 0.05 0.59 0.21 0.93 -2.27 0.00 0.00 179.45 178.96 3mka h GLU 169 N 0.92 1.11 -0.05 1.90 3.07 -1.01 -3.33 114.58 117.19 3mka h GLU 169 Ca 0.41 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3mka h GLU 169 Cb 0.31 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3mka h GLU 169 CO -0.22 0.96 0.00 -1.13 -1.40 0.00 0.00 179.01 177.22 3mka n SER 170 N -4.28 2.28 -4.73 1.42 3.41 -0.79 -5.04 113.62 105.88 3mka n SER 170 Ca 0.05 -1.63 -0.42 0.00 -0.26 0.00 0.00 58.87 56.62 3mka n SER 170 Cb 0.23 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.18 3.21 -0.05 7.33 5.04 0.28 -5.02 117.35 126.95 3mka s TYR 171 Ca 0.18 1.09 0.02 0.00 -2.44 0.00 0.00 57.07 55.93 3mka s TYR 171 Cb 0.12 -3.67 0.01 0.00 0.35 0.00 0.00 41.96 38.77 3mka s TYR 171 CO 0.18 -2.20 -0.11 0.00 -1.34 0.00 0.00 175.55 172.09 3mka s ALA 172 N 0.41 1.11 0.48 3.97 0.00 -1.26 -5.03 121.76 121.44 3mka s ALA 172 Ca 0.60 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.97 3mka s ALA 172 Cb -0.38 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.19 3mka s ALA 172 CO 0.36 0.12 1.17 -1.21 0.00 0.00 0.00 175.76 176.20 3mka s GLU 173 N 0.52 3.66 -1.41 0.00 2.02 -1.26 -3.71 118.70 118.52 3mka s GLU 173 Ca -0.10 1.77 -0.10 0.00 0.02 0.00 0.00 54.97 56.55 3mka s GLU 173 Cb -0.14 -2.33 0.03 0.00 0.10 0.00 0.00 34.13 31.80 3mka s GLU 173 CO 0.02 -0.63 1.11 0.09 0.02 0.00 0.00 175.26 175.87 3mka n ASN 174 N -0.65 -5.67 -4.80 -0.19 4.13 -1.26 -4.93 115.26 101.88 3mka n ASN 174 Ca 0.08 -0.62 -0.32 0.00 1.68 0.00 0.00 54.58 55.40 3mka n ASN 174 Cb 0.48 -4.65 0.03 0.00 -1.54 0.00 0.00 39.78 34.10 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 -3.32 2.65 0.77 5.41 0.00 -1.24 -4.19 121.76 121.84 3mka s ALA 175 Ca 0.59 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 3mka s ALA 175 Cb -0.27 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.67 3mka s ALA 175 CO 0.76 -1.05 1.08 -1.54 0.00 0.00 0.00 175.76 175.02 3mka s SER 176 N -3.06 4.58 0.19 0.00 1.04 -1.26 -1.86 113.70 113.32 3mka s SER 176 Ca 0.62 1.70 -0.12 0.00 0.48 0.00 0.00 55.95 58.63 3mka s SER 176 Cb -0.16 -2.44 0.10 0.00 0.10 0.00 0.00 66.02 63.62 3mka s SER 176 CO 0.44 -1.97 1.83 0.25 0.98 0.00 0.00 173.24 174.77 3mka h LEU 177 N -1.08 0.76 -0.59 2.42 5.85 -1.99 -0.81 115.31 119.86 3mka h LEU 177 Ca -0.45 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 3mka h LEU 177 Cb 1.23 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3mka h LEU 177 CO 0.53 0.59 0.32 0.74 -0.34 0.00 0.00 178.44 180.29 3mka h THR 178 N 0.86 1.19 -0.62 1.05 2.02 -1.91 -0.43 112.91 115.08 3mka h THR 178 Ca 0.23 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3mka h THR 178 Cb -0.03 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 3mka h THR 178 CO -0.04 0.21 0.30 0.44 0.37 0.00 0.00 175.52 176.80 3mka h ASP 179 N 0.80 0.80 -0.66 4.18 3.32 -1.86 -0.79 116.42 122.22 3mka h ASP 179 Ca 0.21 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3mka h ASP 179 Cb 0.05 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3mka h ASP 179 CO -0.03 0.70 0.32 0.00 -1.72 0.00 0.00 179.24 178.51 3mka h ALA 180 N 1.13 0.85 -0.60 3.45 0.00 -0.74 -0.77 119.26 122.58 3mka h ALA 180 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 180 Cb 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3mka h ALA 180 CO -0.03 0.41 0.35 1.25 0.00 0.00 0.00 179.25 181.23 3mka h LEU 181 N 0.91 0.73 -0.60 0.00 5.85 -0.64 -0.52 115.31 121.05 3mka h LEU 181 Ca 0.23 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3mka h LEU 181 Cb 0.12 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3mka h LEU 181 CO -0.03 0.60 0.27 0.03 -0.34 0.00 0.00 178.44 178.96 3mka h ARG 182 N 0.81 0.88 -0.72 1.25 3.08 -0.72 -0.73 114.38 118.22 3mka h ARG 182 Ca 0.21 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3mka h ARG 182 Cb 0.01 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3mka h ARG 182 CO -0.04 0.73 0.42 0.82 -1.07 0.00 0.00 179.97 180.83 3mka h ILE 183 N 0.82 1.21 -0.44 2.04 2.04 -0.72 -1.93 117.51 120.54 3mka h ILE 183 Ca 0.20 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3mka h ILE 183 Cb 0.16 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3mka h ILE 183 CO -0.02 0.22 0.21 0.00 0.00 0.00 0.00 178.15 178.56 3mka h ALA 184 N 1.22 0.57 -0.63 1.87 0.00 -0.65 -2.05 119.26 119.58 3mka h ALA 184 Ca 0.26 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3mka h ALA 184 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3mka h ALA 184 CO -0.05 0.13 0.38 0.28 0.00 0.00 0.00 179.25 180.00 3mka h VAL 185 N 0.57 1.07 -0.63 0.00 2.07 -0.76 -2.00 116.25 116.56 3mka h VAL 185 Ca 0.15 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3mka h VAL 185 Cb 0.13 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3mka h VAL 185 CO -0.02 0.14 0.28 0.00 0.02 0.00 0.00 177.57 177.99 3mka h ALA 186 N 1.28 0.82 -0.72 1.67 0.00 -1.16 -2.26 119.26 118.90 3mka h ALA 186 Ca 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 186 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3mka h ALA 186 CO -0.11 0.41 0.29 0.00 0.00 0.00 0.00 179.25 179.83 3mka h ALA 187 N 1.12 1.16 -0.59 0.00 0.00 -1.07 -2.24 119.26 117.64 3mka h ALA 187 Ca 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3mka h ALA 187 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3mka h ALA 187 CO -0.02 0.61 0.22 -0.07 0.00 0.00 0.00 179.25 179.98 3mka h LEU 188 N 1.03 0.79 -0.99 0.00 3.38 -1.05 -2.51 115.31 115.96 3mka h LEU 188 Ca 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3mka h LEU 188 Cb 0.19 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3mka h LEU 188 CO -0.02 0.73 0.64 0.03 0.09 0.00 0.00 178.44 179.90 3mka h ARG 189 N 0.85 1.32 -0.87 1.13 3.08 -0.82 -1.90 114.38 117.16 3mka h ARG 189 Ca 0.20 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3mka h ARG 189 Cb 0.19 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3mka h ARG 189 CO -0.02 0.89 0.50 0.00 -1.07 0.00 0.00 179.97 180.27 3mka h ALA 190 N 1.35 1.12 -0.73 0.04 0.00 -1.28 -2.56 119.26 117.20 3mka h ALA 190 Ca 0.36 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3mka h ALA 190 Cb -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.28 3mka h ALA 190 CO -0.07 0.61 0.21 0.78 0.00 0.00 0.00 179.25 180.77 3mka h GLY 191 N 1.21 1.24 0.00 0.00 0.00 -1.27 -3.44 103.07 100.81 3mka h GLY 191 Ca 0.31 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mka h GLY 191 CO -0.05 0.70 0.00 -1.26 0.00 0.00 0.00 176.54 175.93 3mka n SER 192 N -4.24 0.00 0.00 0.19 2.88 -0.78 -4.57 113.62 107.09 3mka n SER 192 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 3mka n SER 192 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.00 0.00 -3.83 2.46 4.32 -1.26 -4.78 117.00 113.92 3mka n LEU 203 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.93 3mka n LEU 203 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 3mka n LEU 203 CO 0.00 0.00 0.63 -0.83 -1.22 0.00 0.00 177.39 175.97 3mka s GLY 204 N 0.00 0.15 0.52 -0.72 0.00 -1.26 -4.95 107.32 101.06 3mka s GLY 204 Ca 0.00 -0.45 0.21 0.00 0.00 0.00 0.00 44.72 44.48 3mka s GLY 204 CO 0.00 0.51 2.05 -2.08 0.00 0.00 0.00 173.10 173.58 3mka h VAL 205 N 2.00 0.84 -0.61 1.40 2.07 -1.95 0.38 116.25 120.38 3mka h VAL 205 Ca -0.28 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3mka h VAL 205 Cb 1.24 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 3mka h VAL 205 CO 0.35 0.00 0.24 0.00 0.02 0.00 0.00 177.57 178.18 3mka h ALA 206 N 1.83 1.27 -0.18 1.67 0.00 -1.96 -3.22 119.26 118.67 3mka h ALA 206 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mka h ALA 206 Cb 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3mka h ALA 206 CO -0.00 0.54 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 3mka n SER 207 N -4.31 3.32 -4.54 0.00 3.41 0.12 -4.81 113.62 106.80 3mka n SER 207 Ca 0.05 -2.95 -0.27 0.00 -0.26 0.00 0.00 58.87 55.45 3mka n SER 207 Cb 0.17 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 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 -2.68 2.87 -0.18 1.04 1.02 -0.10 -0.86 118.68 119.79 3mka s LEU 208 Ca 0.37 -0.65 -0.00 0.00 0.02 0.00 0.00 54.13 53.87 3mka s LEU 208 Cb 0.30 -1.55 0.04 0.00 0.02 0.00 0.00 46.19 45.00 3mka s LEU 208 CO 0.07 0.10 -0.07 -0.70 0.02 0.00 0.00 176.35 175.78 3mka s GLU 209 N -2.85 1.60 -0.02 1.70 2.12 -0.12 -4.74 118.70 116.40 3mka s GLU 209 Ca 0.24 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.98 3mka s GLU 209 Cb -0.08 -2.17 -0.01 0.00 0.26 0.00 0.00 34.13 32.13 3mka s GLU 209 CO 0.14 -0.45 -0.15 0.08 -0.54 0.00 0.00 175.26 174.35 3mka s VAL 210 N 1.55 1.19 0.12 3.70 1.01 -1.26 -1.59 120.40 125.13 3mka s VAL 210 Ca -0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3mka s VAL 210 Cb -0.16 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.27 3mka s VAL 210 CO -0.08 0.34 0.46 0.00 0.00 0.00 0.00 175.10 175.82 3mka s ALA 211 N -0.26 -1.14 0.11 5.51 0.00 -0.80 -0.89 121.76 124.29 3mka s ALA 211 Ca 0.04 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.21 3mka s ALA 211 Cb -0.07 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3mka s ALA 211 CO -0.00 -0.65 -0.11 0.14 0.00 0.00 0.00 175.76 175.14 3mka s VAL 212 N -3.57 1.08 -0.69 0.00 -7.23 0.13 -0.82 120.40 109.29 3mka s VAL 212 Ca 0.01 -1.72 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 3mka s VAL 212 Cb 0.01 -1.47 0.18 0.00 0.56 0.00 0.00 36.38 35.65 3mka s VAL 212 CO -0.11 -0.55 0.61 -0.76 -0.31 0.00 0.00 175.10 173.99 3mka s LEU 213 N -2.55 6.28 -0.90 1.32 1.43 -0.37 -0.66 118.68 123.24 3mka s LEU 213 Ca 0.08 -2.44 -0.25 0.00 -1.03 0.00 0.00 54.13 50.49 3mka s LEU 213 Cb -0.03 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 44.09 3mka s LEU 213 CO 0.01 -0.61 1.53 -0.62 0.23 0.00 0.00 176.35 176.88 3mka s ASP 214 N 2.28 6.08 0.12 2.29 2.15 -0.17 -2.65 116.67 126.78 3mka s ASP 214 Ca 0.13 -0.92 0.07 0.00 0.43 0.00 0.00 52.55 52.26 3mka s ASP 214 Cb -0.18 -2.56 0.39 0.00 -0.30 0.00 0.00 42.92 40.27 3mka s ASP 214 CO -0.05 -1.88 1.17 0.00 -0.17 0.00 0.00 175.17 174.25 3mka n ALA 215 N 10.20 0.90 1.54 3.66 0.00 -0.97 -0.40 120.51 135.44 3mka n ALA 215 Ca 0.26 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.90 3mka n ALA 215 Cb 0.50 -0.99 0.56 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.73 1.21 -4.80 0.00 5.15 -1.26 -4.41 115.26 109.42 3mka n ASN 216 Ca -0.00 -1.47 -0.37 0.00 -0.60 0.00 0.00 54.58 52.14 3mka n ASN 216 Cb 0.08 -0.03 -0.06 0.00 -0.53 0.00 0.00 39.78 39.24 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 -1.95 4.39 0.10 1.20 1.81 0.47 -5.00 118.95 119.97 3mka s ARG 217 Ca 0.38 1.04 -0.29 0.00 -1.72 0.00 0.00 55.73 55.13 3mka s ARG 217 Cb 0.20 -2.91 -0.12 0.00 -0.45 0.00 0.00 34.95 31.67 3mka s ARG 217 CO 0.32 0.39 1.63 -1.00 -0.68 0.00 0.00 175.30 175.95 3mka h PRO 218 N 3.47 -0.59 0.00 3.54 0.13 -1.88 -3.39 132.00 133.27 3mka h PRO 218 Ca -0.47 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3mka h PRO 218 Cb 1.19 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3mka h PRO 218 CO 0.65 -0.40 0.00 -2.13 -0.23 0.00 0.00 178.00 175.90 3mka n ARG 219 N -5.42 0.00 -2.47 0.86 0.63 -1.26 -4.27 116.66 104.74 3mka n ARG 219 Ca -0.09 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.43 3mka n ARG 219 Cb 0.32 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.21 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 -0.86 3.25 0.31 -0.14 0.52 -1.26 -4.42 118.95 116.35 3mka s ARG 220 Ca 0.00 0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.43 3mka s ARG 220 Cb 0.00 -4.14 0.49 0.00 0.52 0.00 0.00 34.95 31.82 3mka s ARG 220 CO 0.00 -2.03 1.72 0.00 0.02 0.00 0.00 175.30 175.01 3mka h ALA 221 N 10.62 1.15 -2.51 2.13 0.00 -0.89 -3.46 119.26 126.31 3mka h ALA 221 Ca -0.27 -0.40 -0.53 0.00 0.00 0.00 0.00 54.91 53.71 3mka h ALA 221 Cb 1.07 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.81 3mka h ALA 221 CO 1.22 0.57 1.04 0.12 0.00 0.00 0.00 179.25 182.20 3mka s PHE 222 N -4.16 2.40 -0.10 0.00 5.36 -1.26 -1.00 117.98 119.23 3mka s PHE 222 Ca -0.04 0.21 -0.05 0.00 -0.96 0.00 0.00 56.93 56.08 3mka s PHE 222 Cb 0.14 -4.06 0.04 0.00 -0.34 0.00 0.00 43.02 38.79 3mka s PHE 222 CO 0.77 -4.28 0.23 1.03 -1.46 0.00 0.00 175.22 171.51 3mka s ARG 223 N 2.43 0.20 -0.14 10.12 0.52 0.17 -4.96 118.95 127.29 3mka s ARG 223 Ca 0.77 0.46 -0.17 0.00 -0.52 0.00 0.00 55.73 56.27 3mka s ARG 223 Cb -0.44 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 34.92 3mka s ARG 223 CO 0.34 -0.14 0.44 1.03 0.02 0.00 0.00 175.30 176.99 3mka s ARG 224 N 1.01 4.30 -0.41 3.54 0.52 -1.26 0.19 118.95 126.84 3mka s ARG 224 Ca -0.07 0.36 -0.15 0.00 -0.52 0.00 0.00 55.73 55.35 3mka s ARG 224 Cb -0.09 -3.45 0.02 0.00 0.52 0.00 0.00 34.95 31.96 3mka s ARG 224 CO -0.06 0.14 0.30 0.42 0.02 0.00 0.00 175.30 176.11 3mka s ILE 225 N 0.72 5.21 0.17 1.52 1.01 -0.07 -4.96 121.20 124.80 3mka s ILE 225 Ca 0.23 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.25 3mka s ILE 225 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3mka s ILE 225 CO 0.09 -0.32 -0.14 0.28 0.00 0.00 0.00 174.94 174.85 3mka s THR 226 N 1.67 1.53 0.00 2.92 -1.32 -1.26 -4.31 115.64 114.86 3mka s THR 226 Ca 0.05 -2.06 0.00 0.00 -1.21 0.00 0.00 61.69 58.47 3mka s THR 226 Cb -0.19 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 3mka s THR 226 CO 0.10 -0.58 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 3mka n GLY 227 N -0.11 3.32 0.36 6.08 0.00 -1.26 -2.80 105.19 110.79 3mka n GLY 227 Ca -0.10 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 1.13 -0.81 1.61 0.02 -1.99 -1.20 113.55 112.32 3mka h SER 228 Ca 0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3mka h SER 228 Cb 0.00 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 3mka h SER 228 CO 0.00 0.89 0.45 0.00 -1.14 0.00 0.00 176.83 177.03 3mka h ALA 229 N 1.29 1.04 -0.73 3.77 0.00 -1.93 -1.19 119.26 121.51 3mka h ALA 229 Ca 0.33 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3mka h ALA 229 Cb -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3mka h ALA 229 CO -0.06 0.54 0.26 1.25 0.00 0.00 0.00 179.25 181.25 3mka h LEU 230 N 1.12 1.04 -0.91 0.00 5.85 -1.42 -2.56 115.31 118.43 3mka h LEU 230 Ca 0.29 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3mka h LEU 230 Cb 0.03 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3mka h LEU 230 CO -0.05 0.95 0.47 -0.61 -0.34 0.00 0.00 178.44 178.86 3mka h GLN 231 N 1.08 1.24 -0.76 1.25 5.75 -0.33 -2.53 115.11 120.80 3mka h GLN 231 Ca 0.24 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 3mka h GLN 231 Cb 0.26 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 3mka h GLN 231 CO -0.01 0.92 0.40 0.00 -2.65 0.00 0.00 178.83 177.48 3mka h ALA 232 N 1.27 0.98 -0.69 3.38 0.00 -0.85 -2.56 119.26 120.79 3mka h ALA 232 Ca 0.31 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3mka h ALA 232 Cb 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3mka h ALA 232 CO -0.05 0.51 0.23 -0.07 0.00 0.00 0.00 179.25 179.87 3mka h LEU 233 N 1.06 0.99 -0.65 0.00 3.38 -1.22 -3.12 115.31 115.75 3mka h LEU 233 Ca 0.27 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3mka h LEU 233 Cb 0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3mka h LEU 233 CO -0.04 0.93 0.21 -0.07 0.09 0.00 0.00 178.44 179.56 3mka h LEU 234 N 1.01 0.94 -1.11 1.67 3.38 -1.21 -3.48 115.31 116.52 3mka h LEU 234 Ca 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3mka h LEU 234 Cb 0.28 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3mka h LEU 234 CO -0.01 0.90 0.00 0.55 0.09 0.00 0.00 178.44 179.97