#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka n PHE 6 N 0.00 -0.98 -4.40 -0.72 0.99 -1.26 -5.15 117.46 105.94 3mka n PHE 6 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.21 3mka n PHE 6 Cb 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.39 3mka n PHE 6 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 3mka s ILE 7 N 0.27 2.87 -0.08 4.37 -4.36 -1.26 -5.08 121.20 117.93 3mka s ILE 7 Ca 0.00 -2.20 -0.30 0.00 -0.26 0.00 0.00 60.65 57.90 3mka s ILE 7 Cb 0.00 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 3mka s ILE 7 CO 0.00 -0.38 1.35 -0.55 0.24 0.00 0.00 174.94 175.60 3mka s SER 8 N -3.55 6.90 0.11 4.36 0.15 -1.26 -4.93 113.70 115.49 3mka s SER 8 Ca 0.30 1.92 -0.14 0.00 0.70 0.00 0.00 55.95 58.73 3mka s SER 8 Cb -0.06 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 3mka s SER 8 CO 0.17 -0.74 1.48 1.55 1.20 0.00 0.00 173.24 176.90 3mka h PRO 9 N 8.14 0.73 -0.78 5.44 0.13 -1.98 -0.79 132.00 142.88 3mka h PRO 9 Ca -0.33 -0.32 -0.04 0.00 -0.87 0.00 0.00 66.00 64.44 3mka h PRO 9 Cb 1.15 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 3mka h PRO 9 CO 0.93 0.93 0.35 0.93 -0.23 0.00 0.00 178.00 180.91 3mka h GLU 10 N 0.51 1.15 0.36 0.86 4.39 -1.98 0.32 114.58 120.19 3mka h GLU 10 Ca 0.08 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3mka h GLU 10 Cb 0.72 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3mka h GLU 10 CO 0.05 0.91 -0.18 0.37 -1.16 0.00 0.00 179.01 179.01 3mka h GLN 11 N 1.12 -0.47 -0.13 2.33 4.15 -1.95 -0.85 115.11 119.32 3mka h GLN 11 Ca 0.27 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.75 3mka h GLN 11 Cb 0.17 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 3mka h GLN 11 CO -0.03 -0.21 -0.06 0.00 -1.93 0.00 0.00 178.83 176.60 3mka h ALA 12 N -0.12 0.05 -0.43 3.38 0.00 -0.99 -1.29 119.26 119.87 3mka h ALA 12 Ca -0.05 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 12 Cb 0.48 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 3mka h ALA 12 CO 0.08 -0.51 -0.53 1.98 0.00 0.00 0.00 179.25 180.27 3mka h MET 13 N -0.05 -0.36 0.11 0.00 -1.53 -0.29 0.25 114.93 113.06 3mka h MET 13 Ca 0.07 0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.36 3mka h MET 13 Cb 0.15 0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 3mka h MET 13 CO -0.16 -0.24 -0.13 -0.09 0.14 0.00 0.00 176.91 176.43 3mka h ARG 14 N -0.37 -0.26 -0.54 0.39 2.43 -0.91 -0.24 114.38 114.86 3mka h ARG 14 Ca 0.09 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3mka h ARG 14 Cb 0.59 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3mka h ARG 14 CO -0.60 -0.18 0.24 0.93 -1.51 0.00 0.00 179.97 178.85 3mka h GLU 15 N -0.27 0.80 -0.65 0.20 5.08 -0.98 0.38 114.58 119.13 3mka h GLU 15 Ca 0.01 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3mka h GLU 15 Cb 0.28 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3mka h GLU 15 CO -0.05 0.67 0.14 0.00 -1.00 0.00 0.00 179.01 178.77 3mka h ARG 16 N 0.74 1.05 -0.45 2.33 3.08 -0.87 -1.60 114.38 118.66 3mka h ARG 16 Ca 0.18 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3mka h ARG 16 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3mka h ARG 16 CO -0.02 0.95 0.13 1.03 -1.07 0.00 0.00 179.97 181.00 3mka h SER 17 N 0.97 0.66 -0.63 7.04 0.87 -0.75 -2.66 113.55 119.05 3mka h SER 17 Ca 0.20 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 3mka h SER 17 Cb 0.39 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3mka h SER 17 CO 0.01 0.70 0.14 -0.33 -0.53 0.00 0.00 176.83 176.81 3mka h GLU 18 N 0.59 1.04 -0.65 2.24 4.39 -0.76 -2.67 114.58 118.77 3mka h GLU 18 Ca 0.14 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3mka h GLU 18 Cb 0.28 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 3mka h GLU 18 CO -0.00 0.93 0.39 1.25 -1.16 0.00 0.00 179.01 180.42 3mka h LEU 19 N 0.99 0.78 -0.57 1.33 6.46 -1.14 -2.41 115.31 120.74 3mka h LEU 19 Ca 0.20 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 3mka h LEU 19 Cb 0.37 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 3mka h LEU 19 CO 0.00 0.62 0.12 0.00 -0.62 0.00 0.00 178.44 178.56 3mka h ALA 20 N 1.20 0.76 -0.79 1.25 0.00 -1.29 -2.96 119.26 117.43 3mka h ALA 20 Ca 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3mka h ALA 20 Cb -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3mka h ALA 20 CO -0.04 0.48 0.37 0.00 0.00 0.00 0.00 179.25 180.06 3mka h ARG 21 N 0.83 1.14 -0.64 0.00 3.08 -1.27 -2.64 114.38 114.87 3mka h ARG 21 Ca 0.18 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3mka h ARG 21 Cb 0.38 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3mka h ARG 21 CO 0.01 0.89 0.30 0.87 -1.07 0.00 0.00 179.97 180.96 3mka h LYS 22 N 1.12 0.93 -0.45 0.04 1.57 -1.35 0.70 116.57 119.13 3mka h LYS 22 Ca 0.27 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3mka h LYS 22 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3mka h LYS 22 CO -0.03 0.75 0.17 0.78 -0.57 0.00 0.00 179.45 180.55 3mka h GLY 23 N 0.89 0.73 1.05 3.86 0.00 -1.35 -2.29 103.07 105.96 3mka h GLY 23 Ca 0.22 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 3mka h GLY 23 CO -0.03 0.38 -0.02 -2.22 0.00 0.00 0.00 176.54 174.66 3mka h ILE 24 N 0.59 1.27 -0.62 2.60 2.04 -1.27 -2.96 117.51 119.15 3mka h ILE 24 Ca 0.15 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3mka h ILE 24 Cb 0.21 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3mka h ILE 24 CO -0.01 0.41 0.33 0.00 0.00 0.00 0.00 178.15 178.88 3mka h ALA 25 N 0.95 1.42 -0.00 1.87 0.00 -0.74 0.20 119.26 122.95 3mka h ALA 25 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mka h ALA 25 Cb 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3mka h ALA 25 CO 0.03 0.48 -0.01 0.54 0.00 0.00 0.00 179.25 180.29 3mka n ARG 26 N -4.38 0.90 -3.25 0.00 1.74 -0.87 -3.41 116.66 107.39 3mka n ARG 26 Ca 0.06 -0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 56.79 3mka n ARG 26 Cb 0.10 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 3mka n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mka s ALA 27 N -2.16 3.62 0.71 7.54 0.00 -0.16 -4.88 121.76 126.43 3mka s ALA 27 Ca 0.42 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 3mka s ALA 27 Cb 0.21 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 21.07 3mka s ALA 27 CO 0.39 0.05 1.08 1.63 0.00 0.00 0.00 175.76 178.91 3mka n LYS 28 N -1.47 0.63 -4.07 0.00 4.01 -1.26 -0.41 118.16 115.58 3mka n LYS 28 Ca -0.03 0.27 -0.25 0.00 -0.51 0.00 0.00 58.31 57.80 3mka n LYS 28 Cb 0.55 -2.32 -0.05 0.00 -0.51 0.00 0.00 35.03 32.70 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 -1.62 5.63 0.00 4.39 0.01 -1.26 -4.06 113.70 116.79 3mka s SER 29 Ca 0.76 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.89 3mka s SER 29 Cb -0.35 -1.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.38 3mka s SER 29 CO 0.48 0.03 -0.02 -0.69 0.41 0.00 0.00 173.24 173.45 3mka s VAL 30 N -1.86 0.13 0.05 3.43 1.01 0.55 -1.36 120.40 122.35 3mka s VAL 30 Ca 0.32 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.10 3mka s VAL 30 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 3mka s VAL 30 CO 0.24 -0.07 -0.14 0.68 0.00 0.00 0.00 175.10 175.81 3mka s VAL 31 N -0.33 1.09 -0.03 2.92 -7.23 0.97 -1.07 120.40 116.73 3mka s VAL 31 Ca -0.03 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3mka s VAL 31 Cb -0.02 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.93 3mka s VAL 31 CO -0.00 -0.06 -0.02 0.00 -0.31 0.00 0.00 175.10 174.72 3mka s ALA 32 N -0.95 0.40 -0.00 1.32 0.00 0.06 -0.95 121.76 121.63 3mka s ALA 32 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 3mka s ALA 32 Cb -0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 3mka s ALA 32 CO 0.01 -0.03 0.11 -0.48 0.00 0.00 0.00 175.76 175.37 3mka s LEU 33 N 0.82 1.66 0.47 0.00 0.05 -0.63 0.27 118.68 121.32 3mka s LEU 33 Ca -0.09 -0.20 -0.22 0.00 0.05 0.00 0.00 54.13 53.67 3mka s LEU 33 Cb -0.12 0.55 -0.07 0.00 -2.05 0.00 0.00 46.19 44.50 3mka s LEU 33 CO -0.01 -0.32 1.12 0.00 -0.55 0.00 0.00 176.35 176.59 3mka s ALA 34 N -1.22 2.91 0.28 1.48 0.00 0.82 -0.88 121.76 125.16 3mka s ALA 34 Ca -0.13 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 3mka s ALA 34 Cb -0.07 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3mka s ALA 34 CO 0.01 -0.55 0.62 1.52 0.00 0.00 0.00 175.76 177.36 3mka s TYR 35 N -1.68 0.11 0.29 0.00 -0.85 0.70 -4.79 117.35 111.14 3mka s TYR 35 Ca 0.65 -0.55 -0.03 0.00 -0.52 0.00 0.00 57.07 56.63 3mka s TYR 35 Cb -0.25 0.49 0.41 0.00 0.38 0.00 0.00 41.96 42.99 3mka s TYR 35 CO 0.29 -1.18 1.96 0.00 -1.52 0.00 0.00 175.55 175.10 3mka h ALA 36 N 2.10 1.39 0.00 9.51 0.00 -1.79 0.44 119.26 130.91 3mka h ALA 36 Ca -0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3mka h ALA 36 Cb 1.25 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3mka h ALA 36 CO 0.30 0.56 -0.09 0.78 0.00 0.00 0.00 179.25 180.80 3mka h GLY 37 N 1.17 0.00 0.00 0.00 0.00 -1.94 -3.47 103.07 98.82 3mka h GLY 37 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3mka h GLY 37 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.07 3mka n GLY 38 N -0.75 0.96 3.33 4.60 0.00 0.15 -2.59 105.19 110.88 3mka n GLY 38 Ca -0.02 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 3mka n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mka s VAL 39 N 0.00 2.30 -0.11 1.61 1.01 -1.13 0.25 120.40 124.33 3mka s VAL 39 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.99 3mka s VAL 39 Cb 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3mka s VAL 39 CO 0.00 0.57 -0.13 -0.22 0.00 0.00 0.00 175.10 175.32 3mka s LEU 40 N -0.38 2.72 -0.21 3.92 2.96 -0.06 -1.53 118.68 126.11 3mka s LEU 40 Ca 0.03 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 3mka s LEU 40 Cb -0.12 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.98 3mka s LEU 40 CO 0.02 0.21 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.80 3mka s PHE 41 N 0.06 2.90 -0.06 5.38 0.08 -0.36 -1.60 117.98 124.38 3mka s PHE 41 Ca -0.05 -1.24 0.01 0.00 0.12 0.00 0.00 56.93 55.77 3mka s PHE 41 Cb -0.15 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.29 3mka s PHE 41 CO 0.04 -0.66 -0.07 0.08 -0.10 0.00 0.00 175.22 174.52 3mka s VAL 42 N 1.40 0.79 0.01 -0.44 1.01 -0.13 -2.20 120.40 120.85 3mka s VAL 42 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3mka s VAL 42 Cb -0.14 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3mka s VAL 42 CO -0.07 0.29 -0.03 0.00 0.00 0.00 0.00 175.10 175.29 3mka s ALA 43 N 1.00 0.16 -0.21 5.51 0.00 -0.76 -0.02 121.76 127.45 3mka s ALA 43 Ca -0.09 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 3mka s ALA 43 Cb -0.14 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.04 3mka s ALA 43 CO -0.00 -0.06 1.03 -1.83 0.00 0.00 0.00 175.76 174.89 3mka s GLU 44 N -0.86 4.28 -0.26 0.00 -1.05 -0.46 -1.31 118.70 119.05 3mka s GLU 44 Ca -0.08 1.35 -0.01 0.00 -0.15 0.00 0.00 54.97 56.08 3mka s GLU 44 Cb -0.06 -3.63 0.14 0.00 -0.44 0.00 0.00 34.13 30.14 3mka s GLU 44 CO -0.00 -0.59 0.37 1.21 0.95 0.00 0.00 175.26 177.20 3mka s ASN 45 N 1.19 0.45 0.15 0.83 3.84 0.06 -4.49 114.94 116.97 3mka s ASN 45 Ca 0.44 -0.04 -0.13 0.00 0.21 0.00 0.00 52.86 53.35 3mka s ASN 45 Cb -0.15 1.03 0.03 0.00 -0.55 0.00 0.00 41.25 41.61 3mka s ASN 45 CO 0.08 -0.32 1.64 1.55 -2.79 0.00 0.00 177.10 177.25 3mka h PRO 46 N 8.19 0.85 -7.13 0.43 0.13 -1.83 -3.36 132.00 129.28 3mka h PRO 46 Ca -0.16 -0.23 -0.53 0.00 -0.87 0.00 0.00 66.00 64.21 3mka h PRO 46 Cb 1.14 -0.10 0.13 0.00 0.13 0.00 0.00 31.00 32.29 3mka h PRO 46 CO 0.28 0.84 0.45 0.45 -0.23 0.00 0.00 178.00 179.78 3mka s SER 47 N -6.25 4.91 -0.01 1.44 0.15 -1.26 -4.86 113.70 107.82 3mka s SER 47 Ca -0.13 2.36 0.16 0.00 0.70 0.00 0.00 55.95 59.04 3mka s SER 47 Cb 0.12 -2.59 -0.20 0.00 -1.71 0.00 0.00 66.02 61.63 3mka s SER 47 CO 0.81 -1.78 0.54 -1.14 1.20 0.00 0.00 173.24 172.87 3mka n ARG 48 N -1.95 1.28 -0.02 5.44 0.63 -1.26 -4.56 116.66 116.21 3mka n ARG 48 Ca 0.13 -0.06 0.06 0.00 -0.92 0.00 0.00 57.85 57.07 3mka n ARG 48 Cb 0.50 -1.30 -0.13 0.00 0.45 0.00 0.00 32.46 31.97 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 -1.65 1.03 -4.39 6.15 7.64 -1.26 -4.93 113.62 116.21 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 0.32 1.67 -0.11 0.00 -1.01 0.00 0.00 64.21 65.08 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 -4.34 4.72 0.46 -3.43 1.43 -1.26 -5.08 118.68 111.17 3mka s LEU 50 Ca -0.07 -0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 51.88 3mka s LEU 50 Cb 0.10 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 3mka s LEU 50 CO 0.71 -0.38 0.97 0.00 0.23 0.00 0.00 176.35 177.89 3mka s GLN 51 N 1.57 4.10 0.00 1.70 -2.07 -1.26 -4.87 119.66 118.83 3mka s GLN 51 Ca 0.02 1.13 0.00 0.00 -1.82 0.00 0.00 55.36 54.69 3mka s GLN 51 Cb -0.19 -2.16 0.00 0.00 -1.09 0.00 0.00 33.01 29.57 3mka s GLN 51 CO 0.07 -0.15 0.03 1.63 -1.32 0.00 0.00 175.29 175.55 3mka n LYS 52 N -0.88 3.57 -4.23 9.60 5.02 -1.26 -5.00 118.16 124.98 3mka n LYS 52 Ca 0.07 -0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 56.08 3mka n LYS 52 Cb 0.54 -0.33 -0.17 0.00 -0.02 0.00 0.00 35.03 35.05 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 -0.52 1.09 0.14 -0.18 1.01 -1.26 -1.01 121.20 120.47 3mka s ILE 53 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 3mka s ILE 53 Cb 0.00 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 3mka s ILE 53 CO 0.00 0.36 0.18 -0.44 0.00 0.00 0.00 174.94 175.04 3mka s SER 54 N 1.20 0.16 0.04 3.58 0.01 0.75 -5.01 113.70 114.43 3mka s SER 54 Ca -0.04 -0.97 -0.26 0.00 1.31 0.00 0.00 55.95 55.99 3mka s SER 54 Cb -0.14 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.40 3mka s SER 54 CO -0.03 -0.81 0.80 -0.70 0.41 0.00 0.00 173.24 172.92 3mka s GLU 55 N -3.98 4.52 -0.24 12.44 2.12 -1.26 -0.62 118.70 131.68 3mka s GLU 55 Ca 0.18 1.13 -0.15 0.00 0.36 0.00 0.00 54.97 56.48 3mka s GLU 55 Cb 0.05 -3.38 -0.10 0.00 0.26 0.00 0.00 34.13 30.96 3mka s GLU 55 CO -0.01 0.22 -0.35 1.28 -0.54 0.00 0.00 175.26 175.86 3mka n LEU 56 N 3.01 1.92 0.00 2.70 4.77 0.14 -4.87 117.00 124.67 3mka n LEU 56 Ca -0.01 0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 56.27 3mka n LEU 56 Cb 0.50 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 3mka n LEU 56 CO 0.48 0.26 0.00 0.00 -1.33 0.00 0.00 177.39 176.81 3mka n TYR 57 N -4.30 -0.35 -0.32 -1.77 9.36 -0.87 -4.75 117.16 114.16 3mka n TYR 57 Ca -0.39 -0.51 -0.10 0.00 3.32 0.00 0.00 57.90 60.21 3mka n TYR 57 Cb 0.75 0.08 -0.08 0.00 -0.63 0.00 0.00 39.34 39.46 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 0.40 -1.95 -0.13 2.98 3.32 -1.95 -2.71 116.42 116.38 3mka h ASP 58 Ca -0.05 0.30 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 3mka h ASP 58 Cb 0.23 0.86 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3mka h ASP 58 CO 0.07 -0.29 -0.07 0.54 -1.72 0.00 0.00 179.24 177.76 3mka n ARG 59 N -5.32 1.90 -4.23 3.56 5.12 -1.26 -1.17 116.66 115.26 3mka n ARG 59 Ca 0.01 -2.84 -0.30 0.00 -1.93 0.00 0.00 57.85 52.80 3mka n ARG 59 Cb 0.30 -1.67 -0.16 0.00 -1.16 0.00 0.00 32.46 29.77 3mka n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3mka s VAL 60 N -2.96 1.67 0.31 1.55 1.01 -1.02 -2.09 120.40 118.86 3mka s VAL 60 Ca 0.38 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3mka s VAL 60 Cb 0.33 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3mka s VAL 60 CO 0.03 0.47 0.15 -0.83 0.00 0.00 0.00 175.10 174.93 3mka s GLY 61 N 1.24 1.74 -0.02 4.51 0.00 0.13 -0.68 107.32 114.24 3mka s GLY 61 Ca 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.06 3mka s GLY 61 CO -0.07 -1.65 -0.02 -0.12 0.00 0.00 0.00 173.10 171.24 3mka s PHE 62 N -2.32 0.34 0.00 1.90 5.36 0.21 -1.03 117.98 122.44 3mka s PHE 62 Ca 0.36 -0.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.30 3mka s PHE 62 Cb -0.05 -0.33 -0.00 0.00 -0.34 0.00 0.00 43.02 42.30 3mka s PHE 62 CO 0.23 -0.08 -0.02 0.00 -1.46 0.00 0.00 175.22 173.89 3mka s ALA 63 N 0.52 0.19 0.10 11.12 0.00 -0.17 -0.18 121.76 133.34 3mka s ALA 63 Ca -0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.65 3mka s ALA 63 Cb -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 3mka s ALA 63 CO -0.01 0.02 0.21 0.00 0.00 0.00 0.00 175.76 175.98 3mka s ALA 64 N -0.24 -0.17 -0.00 0.00 0.00 -0.18 -0.19 121.76 120.97 3mka s ALA 64 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3mka s ALA 64 Cb -0.02 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.66 3mka s ALA 64 CO -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 175.76 175.21 3mka s ALA 65 N -3.88 0.11 0.00 0.00 0.00 -0.50 -4.84 121.76 112.64 3mka s ALA 65 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3mka s ALA 65 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3mka s ALA 65 CO -0.09 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3mka n GLY 66 N 3.05 0.71 3.66 0.00 0.00 -1.26 -0.87 105.19 110.49 3mka n GLY 66 Ca -0.12 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 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 4.23 0.09 1.61 2.20 0.01 -4.90 119.74 120.97 3mka s LYS 67 Ca 0.00 1.80 -0.28 0.00 -0.36 0.00 0.00 55.97 57.13 3mka s LYS 67 Cb 0.00 -3.79 -0.12 0.00 -1.51 0.00 0.00 37.83 32.41 3mka s LYS 67 CO 0.00 -0.72 1.45 0.35 -0.36 0.00 0.00 175.35 176.07 3mka h PHE 68 N 8.45 -1.25 -1.12 4.03 3.57 -1.96 -1.50 116.94 127.16 3mka h PHE 68 Ca -0.31 0.04 0.31 0.00 3.53 0.00 0.00 57.97 61.54 3mka h PHE 68 Cb 1.13 0.54 -0.07 0.00 2.79 0.00 0.00 35.95 40.33 3mka h PHE 68 CO 0.81 -0.48 0.77 -2.95 -2.23 0.00 0.00 178.31 174.23 3mka h ASN 69 N -0.59 0.20 0.22 0.41 7.08 -1.98 0.11 115.58 121.03 3mka h ASN 69 Ca -0.00 0.04 -0.25 0.00 -3.08 0.00 0.00 56.30 53.01 3mka h ASN 69 Cb 0.61 0.01 0.01 0.00 -2.08 0.00 0.00 38.32 36.87 3mka h ASN 69 CO -0.25 0.03 -1.01 -0.33 -2.08 0.00 0.00 177.43 173.79 3mka h GLU 70 N 0.17 0.52 0.00 4.14 5.08 -1.71 -2.89 114.58 119.89 3mka h GLU 70 Ca 0.59 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3mka h GLU 70 Cb 1.94 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.36 3mka h GLU 70 CO -0.15 1.21 -0.68 1.97 -1.00 0.00 0.00 179.01 180.35 3mka n PHE 71 N -3.78 0.51 0.14 4.33 1.16 -0.38 -3.00 117.46 116.45 3mka n PHE 71 Ca -0.09 0.15 0.02 0.00 -1.87 0.00 0.00 57.45 55.66 3mka n PHE 71 Cb 0.87 -0.62 0.11 0.00 -1.61 0.00 0.00 39.48 38.23 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 0.00 0.43 5.98 3.58 -0.91 -0.75 116.42 124.74 3mka h ASP 72 Ca 0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 3mka h ASP 72 Cb 0.74 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 3mka h ASP 72 CO 0.00 0.55 -0.61 -1.13 -2.88 0.00 0.00 179.24 175.18 3mka h ASN 73 N 0.00 0.20 0.72 2.28 -0.73 -1.49 -2.16 115.58 114.40 3mka h ASN 73 Ca -0.01 -0.11 -0.26 0.00 1.87 0.00 0.00 56.30 57.79 3mka h ASN 73 Cb 1.27 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.80 3mka h ASN 73 CO 0.07 0.76 -1.19 -0.07 -0.37 0.00 0.00 177.43 176.63 3mka h LEU 74 N 0.13 0.32 -0.47 0.34 4.07 -1.38 -2.74 115.31 115.58 3mka h LEU 74 Ca -0.01 -0.34 -0.04 0.00 0.08 0.00 0.00 57.88 57.57 3mka h LEU 74 Cb 1.10 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 3mka h LEU 74 CO 0.09 1.27 0.14 -0.09 -1.08 0.00 0.00 178.44 178.77 3mka h ARG 75 N 0.06 0.73 0.06 1.13 2.43 -1.01 -1.24 114.38 116.52 3mka h ARG 75 Ca -0.10 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3mka h ARG 75 Cb 1.92 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 3mka h ARG 75 CO 0.19 0.70 -0.03 0.00 -1.51 0.00 0.00 179.97 179.32 3mka h ARG 76 N 0.62 -0.07 -0.28 0.20 3.08 -1.44 -1.65 114.38 114.83 3mka h ARG 76 Ca 0.15 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.26 3mka h ARG 76 Cb 0.28 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3mka h ARG 76 CO -0.00 0.13 0.19 0.78 -1.07 0.00 0.00 179.97 180.00 3mka h GLY 77 N -0.27 0.15 1.50 0.04 0.00 -1.38 -0.81 103.07 102.30 3mka h GLY 77 Ca -0.01 -0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.07 3mka h GLY 77 CO 0.01 0.04 -0.77 -1.33 0.00 0.00 0.00 176.54 174.50 3mka h GLY 78 N 0.13 0.54 2.00 4.60 0.00 -0.91 -1.94 103.07 107.48 3mka h GLY 78 Ca 0.13 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 3mka h GLY 78 CO -0.02 0.69 -0.49 -2.22 0.00 0.00 0.00 176.54 174.50 3mka h ILE 79 N 0.32 1.27 -0.09 2.60 2.04 -0.28 -1.20 117.51 122.18 3mka h ILE 79 Ca -0.04 -1.74 -0.19 0.00 1.00 0.00 0.00 64.86 63.89 3mka h ILE 79 Cb 1.36 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3mka h ILE 79 CO 0.14 0.48 -0.75 1.56 0.00 0.00 0.00 178.15 179.58 3mka h GLN 80 N 0.00 0.48 -0.21 2.37 4.20 -1.03 -1.93 115.11 118.99 3mka h GLN 80 Ca -0.00 -0.40 -0.21 0.00 0.06 0.00 0.00 58.65 58.10 3mka h GLN 80 Cb 0.92 0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.79 3mka h GLN 80 CO 0.06 1.04 -0.68 0.35 -0.67 0.00 0.00 178.83 178.93 3mka h PHE 81 N 0.33 1.09 -0.18 2.96 3.57 -1.02 -2.57 116.94 121.12 3mka h PHE 81 Ca -0.04 -0.44 -0.06 0.00 3.53 0.00 0.00 57.97 60.96 3mka h PHE 81 Cb 1.34 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 3mka h PHE 81 CO 0.05 1.27 -0.12 0.00 -2.23 0.00 0.00 178.31 177.29 3mka h ALA 82 N 0.62 0.25 -0.84 2.41 0.00 -1.20 -1.70 119.26 118.80 3mka h ALA 82 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3mka h ALA 82 Cb 1.30 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3mka h ALA 82 CO 0.14 0.11 0.54 -0.44 0.00 0.00 0.00 179.25 179.60 3mka h ASP 83 N 0.06 0.98 -0.43 0.00 3.32 -1.42 -0.46 116.42 118.47 3mka h ASP 83 Ca 0.03 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3mka h ASP 83 Cb 0.63 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3mka h ASP 83 CO 0.03 0.73 -0.06 0.74 -1.72 0.00 0.00 179.24 178.97 3mka h THR 84 N 1.14 1.26 0.01 0.35 2.02 -1.34 -1.71 112.91 114.63 3mka h THR 84 Ca 0.30 -1.14 -0.19 0.00 0.77 0.00 0.00 66.41 66.16 3mka h THR 84 Cb -0.10 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3mka h THR 84 CO -0.06 0.40 -0.88 0.03 0.37 0.00 0.00 175.52 175.37 3mka h ARG 85 N 0.79 0.07 0.00 6.66 2.47 -0.97 -1.65 114.38 121.75 3mka h ARG 85 Ca 0.14 -0.09 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 3mka h ARG 85 Cb 0.56 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 3mka h ARG 85 CO 0.03 0.90 -0.18 0.78 0.56 0.00 0.00 179.97 182.07 3mka h GLY 86 N 2.30 0.00 0.33 0.04 0.00 -0.88 -2.17 103.07 102.70 3mka h GLY 86 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 3mka h GLY 86 CO 0.12 0.00 -0.75 -1.82 0.00 0.00 0.00 176.54 174.09 3mka h TYR 87 N 0.00 0.26 0.00 5.60 3.20 -1.16 -3.18 116.97 121.69 3mka h TYR 87 Ca -0.00 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 3mka h TYR 87 Cb 0.70 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 3mka h TYR 87 CO 0.00 1.29 -0.07 0.00 -1.64 0.00 0.00 178.16 177.74 3mka h ALA 88 N -0.06 1.08 -3.00 1.82 0.00 -1.25 -3.43 119.26 114.42 3mka h ALA 88 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3mka h ALA 88 Cb 1.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3mka h ALA 88 CO 0.03 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.02 3mka n TYR 89 N -3.28 0.00 -4.10 0.00 4.01 -0.82 -5.09 117.16 107.87 3mka n TYR 89 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 3mka n TYR 89 Cb 0.27 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.88 0.35 7.72 2.15 -1.22 -4.92 116.67 122.63 3mka s ASP 90 Ca 0.00 -0.80 0.15 0.00 0.43 0.00 0.00 52.55 52.33 3mka s ASP 90 Cb 0.00 0.09 1.07 0.00 -0.30 0.00 0.00 42.92 43.77 3mka s ASP 90 CO 0.00 -0.38 1.69 0.03 -0.17 0.00 0.00 175.17 176.34 3mka h ARG 91 N 3.68 0.37 0.00 4.34 3.08 -1.88 0.33 114.38 124.30 3mka h ARG 91 Ca -0.35 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3mka h ARG 91 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3mka h ARG 91 CO 0.54 0.24 0.00 -2.13 -1.07 0.00 0.00 179.97 177.56 3mka n ARG 92 N -4.94 0.46 0.00 0.04 3.00 -1.26 -2.35 116.66 111.62 3mka n ARG 92 Ca 0.30 0.05 0.11 0.00 -0.00 0.00 0.00 57.85 58.31 3mka n ARG 92 Cb 0.95 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.93 3mka n ARG 92 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3mka n ASP 93 N -1.11 1.00 -4.70 6.15 8.00 0.12 -4.87 116.55 121.14 3mka n ASP 93 Ca 0.12 -0.87 -0.41 0.00 0.71 0.00 0.00 54.79 54.34 3mka n ASP 93 Cb 0.10 0.69 -0.04 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.91 4.91 0.14 2.53 1.01 -0.99 -5.03 120.40 120.07 3mka s VAL 94 Ca 0.11 1.73 0.06 0.00 0.00 0.00 0.00 61.98 63.88 3mka s VAL 94 Cb 0.17 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3mka s VAL 94 CO 0.77 0.12 -0.13 0.42 0.00 0.00 0.00 175.10 176.28 3mka s THR 95 N 1.45 1.32 0.13 3.92 -4.23 -1.26 -5.02 115.64 111.95 3mka s THR 95 Ca 0.43 -1.86 -0.18 0.00 -1.18 0.00 0.00 61.69 58.89 3mka s THR 95 Cb -0.18 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 3mka s THR 95 CO 0.19 -0.53 1.76 1.23 -0.54 0.00 0.00 174.62 176.73 3mka h GLY 96 N 3.22 0.33 -0.17 3.99 0.00 -1.92 -1.95 103.07 106.56 3mka h GLY 96 Ca -0.39 -0.07 0.17 0.00 0.00 0.00 0.00 47.33 47.04 3mka h GLY 96 CO 0.55 0.06 0.16 -0.09 0.00 0.00 0.00 176.54 177.22 3mka h ARG 97 N 0.24 0.23 -0.51 4.80 2.43 -1.96 -0.44 114.38 119.17 3mka h ARG 97 Ca 0.11 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3mka h ARG 97 Cb 0.05 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3mka h ARG 97 CO -0.09 0.15 0.04 1.96 -1.51 0.00 0.00 179.97 180.52 3mka h GLN 98 N 0.24 0.87 -0.95 0.20 4.20 -1.78 -1.56 115.11 116.31 3mka h GLN 98 Ca 0.43 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3mka h GLN 98 Cb 0.77 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.41 3mka h GLN 98 CO -0.55 0.88 0.60 -0.07 -0.67 0.00 0.00 178.83 179.02 3mka h LEU 99 N 0.74 1.12 -0.52 1.46 -0.00 -0.79 -1.71 115.31 115.61 3mka h LEU 99 Ca 0.15 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.88 57.90 3mka h LEU 99 Cb 0.46 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 3mka h LEU 99 CO 0.02 0.84 0.04 0.00 -0.00 0.00 0.00 178.44 179.34 3mka h ALA 100 N 1.33 0.70 -0.09 1.53 0.00 -0.87 -1.81 119.26 120.05 3mka h ALA 100 Ca 0.35 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3mka h ALA 100 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3mka h ALA 100 CO -0.07 0.48 -0.16 -0.97 0.00 0.00 0.00 179.25 178.54 3mka h ASN 101 N 0.77 0.13 -0.02 0.00 -0.73 -0.92 -0.84 115.58 113.98 3mka h ASN 101 Ca 0.15 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 3mka h ASN 101 Cb 0.48 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.03 3mka h ASN 101 CO 0.02 0.30 -0.06 0.58 -0.37 0.00 0.00 177.43 177.90 3mka h VAL 102 N 0.13 1.49 -0.80 2.57 2.07 -0.85 -2.47 116.25 118.39 3mka h VAL 102 Ca 0.03 -1.53 0.10 0.00 0.82 0.00 0.00 66.70 66.12 3mka h VAL 102 Cb 0.36 2.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 3mka h VAL 102 CO 0.02 0.41 0.44 1.88 0.02 0.00 0.00 177.57 180.34 3mka h TYR 103 N -0.53 0.79 0.22 1.57 0.05 -1.02 0.67 116.97 118.72 3mka h TYR 103 Ca -0.00 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.82 3mka h TYR 103 Cb 0.70 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 3mka h TYR 103 CO 0.14 0.29 -0.37 0.00 -1.05 0.00 0.00 178.16 177.18 3mka h ALA 104 N 1.46 -0.70 -0.72 3.88 0.00 -1.13 0.18 119.26 122.23 3mka h ALA 104 Ca 0.40 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.30 3mka h ALA 104 Cb 0.41 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3mka h ALA 104 CO -0.27 -0.95 0.39 0.37 0.00 0.00 0.00 179.25 178.79 3mka h GLN 105 N -0.66 0.65 0.47 0.00 5.75 -0.89 0.14 115.11 120.56 3mka h GLN 105 Ca 0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3mka h GLN 105 Cb 0.65 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.06 3mka h GLN 105 CO -0.15 0.43 -0.22 1.15 -2.65 0.00 0.00 178.83 177.39 3mka h THR 106 N 0.67 0.51 -0.86 2.39 2.02 -0.30 -0.96 112.91 116.38 3mka h THR 106 Ca 0.34 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3mka h THR 106 Cb 0.31 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3mka h THR 106 CO -0.24 0.05 0.48 -0.07 0.37 0.00 0.00 175.52 176.11 3mka h LEU 107 N -0.80 1.07 -0.82 2.58 3.38 -0.52 0.60 115.31 120.80 3mka h LEU 107 Ca -0.06 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.92 3mka h LEU 107 Cb 0.56 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 3mka h LEU 107 CO 0.11 0.85 0.45 1.23 0.09 0.00 0.00 178.44 181.16 3mka h GLY 108 N 1.20 1.28 1.21 0.83 0.00 -0.64 0.15 103.07 107.10 3mka h GLY 108 Ca 0.30 -0.28 -0.27 0.00 0.00 0.00 0.00 47.33 47.08 3mka h GLY 108 CO -0.05 0.07 -1.05 -0.84 0.00 0.00 0.00 176.54 174.66 3mka h THR 109 N 0.71 1.28 -0.56 4.70 2.02 0.03 -2.87 112.91 118.22 3mka h THR 109 Ca 0.41 -2.25 0.03 0.00 0.77 0.00 0.00 66.41 65.37 3mka h THR 109 Cb 0.46 2.39 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 3mka h THR 109 CO -0.29 0.70 0.33 0.40 0.37 0.00 0.00 175.52 177.03 3mka h ILE 110 N 0.39 1.05 -0.90 3.11 2.04 -0.38 0.12 117.51 122.95 3mka h ILE 110 Ca -0.13 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.59 3mka h ILE 110 Cb 1.71 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 3mka h ILE 110 CO 0.21 0.12 0.54 0.15 0.00 0.00 0.00 178.15 179.17 3mka h PHE 111 N 0.66 1.00 0.00 1.37 3.57 -0.72 -0.01 116.94 122.81 3mka h PHE 111 Ca 0.23 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.51 3mka h PHE 111 Cb 0.03 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 3mka h PHE 111 CO -0.06 0.44 -1.35 1.15 -2.23 0.00 0.00 178.31 176.25 3mka h THR 112 N 0.93 1.21 0.00 4.41 2.02 -1.22 -3.42 112.91 116.84 3mka h THR 112 Ca 0.42 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.62 3mka h THR 112 Cb 0.33 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3mka h THR 112 CO -0.23 0.69 -1.02 -0.62 0.37 0.00 0.00 175.52 174.72 3mka n GLU 113 N -3.18 1.23 -1.79 6.66 -0.58 0.38 -5.04 120.64 118.33 3mka n GLU 113 Ca -0.09 -0.04 -0.29 0.00 -0.42 0.00 0.00 57.16 56.32 3mka n GLU 113 Cb 0.99 -1.04 0.15 0.00 -0.57 0.00 0.00 31.44 30.97 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 -2.16 1.05 0.01 3.49 -1.52 -0.05 -5.00 119.66 115.49 3mka s GLN 114 Ca -0.01 -0.08 -0.25 0.00 -1.95 0.00 0.00 55.36 53.07 3mka s GLN 114 Cb 0.03 -1.86 -0.17 0.00 -0.22 0.00 0.00 33.01 30.79 3mka s GLN 114 CO 0.20 -2.19 1.26 0.00 -0.25 0.00 0.00 175.29 174.31 3mka h ALA 115 N -1.48 -0.33 -4.22 6.09 0.00 -1.96 -3.44 119.26 113.91 3mka h ALA 115 Ca -0.46 -0.18 -0.63 0.00 0.00 0.00 0.00 54.91 53.63 3mka h ALA 115 Cb 1.29 0.13 -0.27 0.00 0.00 0.00 0.00 17.79 18.94 3mka h ALA 115 CO 0.52 -0.51 -0.86 0.21 0.00 0.00 0.00 179.25 178.60 3mka s LYS 116 N -4.67 1.62 0.94 0.00 2.20 -1.26 -5.13 119.74 113.44 3mka s LYS 116 Ca -0.14 -0.99 -0.15 0.00 -0.36 0.00 0.00 55.97 54.32 3mka s LYS 116 Cb 0.02 -1.73 0.18 0.00 -1.51 0.00 0.00 37.83 34.79 3mka s LYS 116 CO 0.57 0.45 1.29 -1.25 -0.36 0.00 0.00 175.35 176.04 3mka s PRO 117 N -1.11 0.80 -0.08 4.03 0.04 -1.26 -4.88 135.00 132.53 3mka s PRO 117 Ca 0.09 -0.30 -0.21 0.00 0.04 0.00 0.00 61.00 60.62 3mka s PRO 117 Cb -0.09 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3mka s PRO 117 CO 0.02 -2.33 0.62 0.71 0.04 0.00 0.00 177.00 176.06 3mka s TYR 118 N -3.79 3.55 -1.29 0.56 1.51 -1.26 -4.93 117.35 111.70 3mka s TYR 118 Ca 0.72 1.12 -0.11 0.00 -1.01 0.00 0.00 57.07 57.78 3mka s TYR 118 Cb -0.05 -2.71 0.15 0.00 -0.11 0.00 0.00 41.96 39.24 3mka s TYR 118 CO 0.52 0.12 1.83 0.39 -1.11 0.00 0.00 175.55 177.30 3mka n GLU 119 N 3.73 3.47 -3.82 -0.62 1.02 -1.26 -4.73 120.64 118.43 3mka n GLU 119 Ca -0.03 -3.48 -0.10 0.00 -0.02 0.00 0.00 57.16 53.53 3mka n GLU 119 Cb 0.51 -3.01 -0.07 0.00 -0.02 0.00 0.00 31.44 28.85 3mka n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3mka s VAL 120 N 1.07 0.12 -0.02 2.62 -7.23 -1.26 -0.81 120.40 114.89 3mka s VAL 120 Ca 0.42 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3mka s VAL 120 Cb 0.07 -1.16 0.02 0.00 0.56 0.00 0.00 36.38 35.88 3mka s VAL 120 CO -0.00 -0.55 0.01 -0.70 -0.31 0.00 0.00 175.10 173.55 3mka s GLU 121 N -3.35 0.16 0.11 4.82 2.12 -0.05 -3.43 118.70 119.09 3mka s GLU 121 Ca 0.01 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.43 3mka s GLU 121 Cb 0.02 -0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.04 3mka s GLU 121 CO -0.08 -0.11 -0.04 -0.48 -0.54 0.00 0.00 175.26 174.01 3mka s LEU 122 N 0.80 2.37 -0.10 2.70 0.05 -0.76 -1.41 118.68 122.32 3mka s LEU 122 Ca -0.07 -1.06 0.02 0.00 0.05 0.00 0.00 54.13 53.07 3mka s LEU 122 Cb -0.11 -0.03 0.01 0.00 -2.05 0.00 0.00 46.19 44.02 3mka s LEU 122 CO -0.02 -0.52 -0.17 0.00 -0.55 0.00 0.00 176.35 175.10 3mka s VAL 124 N 0.73 3.07 0.03 0.00 1.01 -0.87 -0.99 120.40 123.38 3mka s VAL 124 Ca -0.12 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3mka s VAL 124 Cb -0.16 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3mka s VAL 124 CO 0.02 0.49 -0.24 0.00 0.00 0.00 0.00 175.10 175.37 3mka s ALA 125 N 0.91 2.01 -0.06 5.51 0.00 -0.20 -1.18 121.76 128.76 3mka s ALA 125 Ca -0.02 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 3mka s ALA 125 Cb -0.15 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.55 3mka s ALA 125 CO -0.00 0.48 -0.03 -2.00 0.00 0.00 0.00 175.76 174.21 3mka s GLU 126 N -1.01 0.77 0.49 0.00 2.12 -0.58 0.19 118.70 120.68 3mka s GLU 126 Ca 0.10 -0.02 0.08 0.00 0.36 0.00 0.00 54.97 55.48 3mka s GLU 126 Cb -0.09 -0.93 0.04 0.00 0.26 0.00 0.00 34.13 33.41 3mka s GLU 126 CO 0.01 -0.18 0.66 0.14 -0.54 0.00 0.00 175.26 175.35 3mka s VAL 127 N 1.39 2.67 0.74 3.70 -7.23 -0.89 -1.42 120.40 119.37 3mka s VAL 127 Ca -0.04 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 3mka s VAL 127 Cb -0.13 -2.69 0.03 0.00 0.56 0.00 0.00 36.38 34.15 3mka s VAL 127 CO -0.03 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 175.85 3mka s ALA 128 N -2.49 2.61 0.50 1.32 0.00 -1.26 -4.88 121.76 117.55 3mka s ALA 128 Ca 0.58 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.11 3mka s ALA 128 Cb -0.08 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 3mka s ALA 128 CO 0.36 -1.37 1.04 -1.01 0.00 0.00 0.00 175.76 174.78 3mka s HIS 129 N -3.23 2.98 -0.39 0.00 3.76 -1.26 -4.79 115.29 112.36 3mka s HIS 129 Ca 0.59 1.57 -0.43 0.00 -0.15 0.00 0.00 55.06 56.64 3mka s HIS 129 Cb -0.13 -3.07 -0.17 0.00 1.11 0.00 0.00 32.58 30.31 3mka s HIS 129 CO 0.53 -0.89 1.74 0.98 -0.85 0.00 0.00 174.74 176.25 3mka n TYR 130 N -1.05 1.86 0.00 1.40 9.36 -1.26 0.07 117.16 127.53 3mka n TYR 130 Ca 0.09 0.79 0.00 0.00 3.32 0.00 0.00 57.90 62.10 3mka n TYR 130 Cb 0.52 -2.36 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 4.46 2.95 3.76 2.98 0.00 -1.26 -5.05 105.19 113.02 3mka n GLY 131 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.05 0.41 -0.33 1.61 2.02 0.11 -5.04 118.70 117.43 3mka s GLU 132 Ca 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 54.97 55.07 3mka s GLU 132 Cb 0.00 -1.77 0.11 0.00 0.10 0.00 0.00 34.13 32.57 3mka s GLU 132 CO 0.00 -2.65 0.15 0.95 0.02 0.00 0.00 175.26 173.73 3mka s THR 133 N -3.30 0.44 -0.00 3.63 -4.23 -1.26 -4.78 115.64 106.13 3mka s THR 133 Ca 0.67 -1.38 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 3mka s THR 133 Cb -0.12 -1.34 -0.00 0.00 1.34 0.00 0.00 72.50 72.38 3mka s THR 133 CO 0.54 -0.79 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.02 3mka s LYS 134 N 1.51 0.46 0.29 3.99 2.20 -1.26 -5.11 119.74 121.83 3mka s LYS 134 Ca 0.12 -0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.22 3mka s LYS 134 Cb -0.19 -0.44 -0.10 0.00 -1.51 0.00 0.00 37.83 35.59 3mka s LYS 134 CO -0.20 0.12 1.30 1.03 -0.36 0.00 0.00 175.35 177.24 3mka s ARG 135 N -0.17 4.38 0.59 4.03 0.52 -1.26 -4.36 118.95 122.68 3mka s ARG 135 Ca 0.02 2.16 -0.20 0.00 -0.52 0.00 0.00 55.73 57.19 3mka s ARG 135 Cb -0.02 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 3mka s ARG 135 CO -0.00 -0.19 1.33 -2.30 0.02 0.00 0.00 175.30 174.16 3mka n PRO 136 N 1.33 1.44 -5.04 3.54 -0.02 -1.26 -4.86 135.00 130.13 3mka n PRO 136 Ca 0.02 0.54 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 3mka n PRO 136 Cb 0.42 -2.56 -0.15 0.00 -0.02 0.00 0.00 33.50 31.19 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 -3.11 2.70 -0.04 -0.52 2.02 -0.51 -4.99 118.70 114.26 3mka s GLU 137 Ca 0.77 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 55.00 3mka s GLU 137 Cb -0.40 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.50 3mka s GLU 137 CO 0.45 0.43 -0.12 -0.51 0.02 0.00 0.00 175.26 175.53 3mka s LEU 138 N -0.26 1.80 0.03 1.80 1.43 -1.24 -1.53 118.68 120.71 3mka s LEU 138 Ca 0.00 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 3mka s LEU 138 Cb -0.13 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 3mka s LEU 138 CO 0.03 0.09 -0.15 -0.31 0.23 0.00 0.00 176.35 176.24 3mka s TYR 139 N 0.22 1.28 -0.04 0.29 2.02 -0.32 -1.06 117.35 119.74 3mka s TYR 139 Ca -0.05 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.38 3mka s TYR 139 Cb -0.11 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.66 3mka s TYR 139 CO 0.01 0.03 -0.24 0.50 -1.57 0.00 0.00 175.55 174.29 3mka s ARG 140 N -0.97 2.16 -0.11 -0.62 3.52 -0.13 -2.04 118.95 120.76 3mka s ARG 140 Ca 0.03 -0.85 0.02 0.00 -0.13 0.00 0.00 55.73 54.80 3mka s ARG 140 Cb -0.07 -1.95 0.01 0.00 -1.56 0.00 0.00 34.95 31.37 3mka s ARG 140 CO 0.01 0.43 -0.18 0.42 -0.81 0.00 0.00 175.30 175.17 3mka s ILE 141 N -0.34 1.72 0.69 4.11 1.09 0.80 -0.33 121.20 128.95 3mka s ILE 141 Ca 0.03 -0.79 -0.08 0.00 -1.10 0.00 0.00 60.65 58.71 3mka s ILE 141 Cb -0.11 -1.54 0.04 0.00 -1.06 0.00 0.00 42.46 39.79 3mka s ILE 141 CO 0.01 0.48 1.02 0.42 -0.10 0.00 0.00 174.94 176.77 3mka s THR 142 N 0.81 2.82 0.49 2.92 -4.23 0.06 -1.84 115.64 116.68 3mka s THR 142 Ca -0.09 -0.04 0.16 0.00 -1.18 0.00 0.00 61.69 60.54 3mka s THR 142 Cb -0.16 -3.20 0.24 0.00 1.34 0.00 0.00 72.50 70.72 3mka s THR 142 CO 0.00 -0.23 2.09 0.10 -0.54 0.00 0.00 174.62 176.04 3mka h TYR 143 N -0.55 0.00 -0.02 3.99 -0.00 -1.84 -1.19 116.97 117.37 3mka h TYR 143 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 3mka h TYR 143 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 3mka h TYR 143 CO 0.40 0.07 0.00 -0.40 -0.00 0.00 0.00 178.16 178.23 3mka n ASP 144 N -4.40 1.01 0.00 0.10 3.85 -1.26 -4.50 116.55 111.35 3mka n ASP 144 Ca -0.03 -1.35 0.00 0.00 -0.71 0.00 0.00 54.79 52.70 3mka n ASP 144 Cb 0.15 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 3mka n ASP 144 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mka n GLY 145 N 1.11 0.76 3.77 6.12 0.00 -0.45 -4.13 105.19 112.37 3mka n GLY 145 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.45 6.12 -0.02 1.61 0.01 -1.26 -4.68 113.70 113.03 3mka s SER 146 Ca 0.00 2.30 0.03 0.00 1.31 0.00 0.00 55.95 59.59 3mka s SER 146 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 3mka s SER 146 CO 0.00 -0.95 -0.10 -0.51 0.41 0.00 0.00 173.24 172.08 3mka s ILE 147 N -1.56 0.86 -0.02 1.44 2.07 -1.26 -0.76 121.20 121.97 3mka s ILE 147 Ca 0.64 -0.43 0.05 0.00 -1.41 0.00 0.00 60.65 59.51 3mka s ILE 147 Cb -0.28 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.55 3mka s ILE 147 CO 0.34 0.26 -0.17 0.00 -1.91 0.00 0.00 174.94 173.46 3mka s ALA 148 N 0.02 1.42 -0.53 1.50 0.00 0.56 -4.95 121.76 119.77 3mka s ALA 148 Ca -0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 3mka s ALA 148 Cb -0.07 -0.37 0.10 0.00 0.00 0.00 0.00 23.12 22.78 3mka s ALA 148 CO 0.00 0.34 0.53 0.34 0.00 0.00 0.00 175.76 176.98 3mka s ASP 149 N -0.36 6.18 -0.20 0.00 -1.08 -1.26 -0.95 116.67 119.00 3mka s ASP 149 Ca 0.06 -1.50 -0.18 0.00 -0.52 0.00 0.00 52.55 50.42 3mka s ASP 149 Cb -0.07 -2.23 -0.03 0.00 -1.46 0.00 0.00 42.92 39.12 3mka s ASP 149 CO -0.00 -0.87 0.48 -1.61 0.52 0.00 0.00 175.17 173.69 3mka s GLU 150 N 1.97 4.19 0.21 4.34 0.41 -0.22 -5.01 118.70 124.58 3mka s GLU 150 Ca 0.07 0.35 -0.02 0.00 -0.41 0.00 0.00 54.97 54.95 3mka s GLU 150 Cb -0.26 -3.55 0.17 0.00 -1.78 0.00 0.00 34.13 28.71 3mka s GLU 150 CO 0.06 -0.11 1.56 -1.35 -0.49 0.00 0.00 175.26 174.92 3mka h PRO 151 N 7.43 0.58 0.00 0.39 0.11 -1.95 -3.29 132.00 135.27 3mka h PRO 151 Ca -0.34 -0.32 0.00 0.00 0.11 0.00 0.00 66.00 65.45 3mka h PRO 151 Cb 1.16 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mka h PRO 151 CO 0.73 0.91 -0.66 0.72 -0.21 0.00 0.00 178.00 179.49 3mka n HIS 152 N -4.01 0.00 -3.69 0.65 8.25 -1.26 -4.87 115.22 110.29 3mka n HIS 152 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 3mka n HIS 152 Cb 0.54 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.66 -0.16 0.01 4.41 -0.12 -1.26 -0.13 117.98 119.07 3mka s PHE 153 Ca 0.00 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.74 3mka s PHE 153 Cb 0.00 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.73 3mka s PHE 153 CO 0.00 -0.84 -0.07 0.08 -0.05 0.00 0.00 175.22 174.34 3mka s VAL 154 N -3.85 0.53 -0.03 -2.49 1.01 0.14 -4.90 120.40 110.81 3mka s VAL 154 Ca 0.07 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3mka s VAL 154 Cb 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.89 3mka s VAL 154 CO -0.06 -0.04 -0.09 -0.69 0.00 0.00 0.00 175.10 174.21 3mka s VAL 155 N -0.58 0.81 0.03 2.92 1.01 -1.26 -0.76 120.40 122.56 3mka s VAL 155 Ca -0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 3mka s VAL 155 Cb -0.05 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.62 3mka s VAL 155 CO 0.00 0.26 0.28 -0.04 0.00 0.00 0.00 175.10 175.60 3mka s MET 156 N 0.29 0.74 0.00 2.72 -1.94 -0.23 -5.02 119.30 115.87 3mka s MET 156 Ca -0.05 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 3mka s MET 156 Cb -0.10 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.06 3mka s MET 156 CO 0.01 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.20 3mka n GLY 157 N 0.80 0.83 7.00 -0.03 0.00 -1.26 -0.33 105.19 112.19 3mka n GLY 157 Ca -0.20 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 1.18 2.30 3.51 -0.02 0.00 0.51 -4.28 105.19 108.38 3mka n GLY 158 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3mka n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mka s THR 159 N 0.00 5.04 -0.16 2.61 -4.23 -1.25 -4.33 115.64 113.32 3mka s THR 159 Ca 0.00 -0.09 -0.17 0.00 -1.18 0.00 0.00 61.69 60.24 3mka s THR 159 Cb 0.00 -4.02 -0.23 0.00 1.34 0.00 0.00 72.50 69.59 3mka s THR 159 CO 0.00 -0.37 0.36 0.71 -0.54 0.00 0.00 174.62 174.79 3mka h THR 160 N 5.71 0.93 -0.68 3.99 1.35 -1.97 -3.41 112.91 118.83 3mka h THR 160 Ca -0.27 -2.28 0.10 0.00 -0.55 0.00 0.00 66.41 63.42 3mka h THR 160 Cb 1.12 2.47 -0.11 0.00 -1.73 0.00 0.00 68.15 69.90 3mka h THR 160 CO 0.79 0.55 -0.27 -0.62 -0.25 0.00 0.00 175.52 175.73 3mka n GLU 161 N -4.12 -0.16 0.18 4.72 4.71 -1.26 0.22 120.64 124.93 3mka n GLU 161 Ca -0.29 1.05 -0.15 0.00 -0.01 0.00 0.00 57.16 57.75 3mka n GLU 161 Cb 0.80 -1.55 -0.08 0.00 -1.01 0.00 0.00 31.44 29.60 3mka n GLU 161 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3mka h PRO 162 N 0.00 -0.71 -0.63 3.49 0.13 -1.91 0.93 132.00 133.30 3mka h PRO 162 Ca 0.23 0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.49 3mka h PRO 162 Cb 0.40 0.16 -0.06 0.00 0.13 0.00 0.00 31.00 31.63 3mka h PRO 162 CO -0.67 -0.47 0.29 0.82 -0.23 0.00 0.00 178.00 177.74 3mka h ILE 163 N -0.73 0.86 0.22 -3.56 2.04 -0.99 0.32 117.51 115.66 3mka h ILE 163 Ca -0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3mka h ILE 163 Cb 0.70 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3mka h ILE 163 CO -0.14 0.10 -0.11 0.00 0.00 0.00 0.00 178.15 178.00 3mka h ALA 164 N 1.38 -0.30 -0.35 1.87 0.00 0.08 -1.55 119.26 120.40 3mka h ALA 164 Ca 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3mka h ALA 164 Cb 0.30 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3mka h ALA 164 CO -0.25 -0.64 0.09 -0.91 0.00 0.00 0.00 179.25 177.54 3mka h ASN 165 N -0.34 0.53 -0.90 0.00 2.35 -0.53 0.31 115.58 117.00 3mka h ASN 165 Ca -0.03 -0.23 0.20 0.00 -0.55 0.00 0.00 56.30 55.69 3mka h ASN 165 Cb 0.26 -0.14 -0.11 0.00 0.05 0.00 0.00 38.32 38.38 3mka h ASN 165 CO 0.05 0.62 0.44 0.00 -1.65 0.00 0.00 177.43 176.89 3mka h ALA 166 N 0.93 1.45 -0.00 -0.83 0.00 -0.27 0.20 119.26 120.74 3mka h ALA 166 Ca 0.11 0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.90 3mka h ALA 166 Cb 0.30 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3mka h ALA 166 CO 0.00 -0.24 -1.00 1.25 0.00 0.00 0.00 179.25 179.26 3mka h LEU 167 N 0.51 0.76 -0.95 0.00 5.85 -0.76 -2.84 115.31 117.88 3mka h LEU 167 Ca 0.54 -0.61 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3mka h LEU 167 Cb 0.95 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3mka h LEU 167 CO -0.46 1.41 0.62 0.50 -0.34 0.00 0.00 178.44 180.17 3mka h LYS 168 N 0.33 1.19 -0.36 1.25 3.64 0.18 0.31 116.57 123.10 3mka h LYS 168 Ca -0.11 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 3mka h LYS 168 Cb 1.65 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 3mka h LYS 168 CO 0.19 0.79 -0.25 0.93 -2.27 0.00 0.00 179.45 178.84 3mka h GLU 169 N 1.22 0.81 -0.49 1.90 5.08 -0.73 -3.35 114.58 119.02 3mka h GLU 169 Ca 0.37 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3mka h GLU 169 Cb -0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3mka h GLU 169 CO -0.11 1.02 0.00 -1.13 -1.00 0.00 0.00 179.01 177.79 3mka n SER 170 N -4.22 3.46 -4.77 1.42 3.41 -1.01 -5.03 113.62 106.87 3mka n SER 170 Ca -0.02 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 3mka n SER 170 Cb 0.46 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.16 2.91 -0.07 7.33 5.04 0.07 -5.03 117.35 126.44 3mka s TYR 171 Ca 0.38 1.34 0.05 0.00 -2.44 0.00 0.00 57.07 56.41 3mka s TYR 171 Cb 0.21 -3.78 -0.01 0.00 0.35 0.00 0.00 41.96 38.73 3mka s TYR 171 CO 0.28 -2.20 -0.24 0.00 -1.34 0.00 0.00 175.55 172.05 3mka s ALA 172 N -1.14 2.12 0.19 3.97 0.00 -1.26 -5.05 121.76 120.59 3mka s ALA 172 Ca 0.50 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 3mka s ALA 172 Cb -0.42 -0.70 0.12 0.00 0.00 0.00 0.00 23.12 22.12 3mka s ALA 172 CO 0.56 0.37 1.82 1.49 0.00 0.00 0.00 175.76 180.00 3mka h GLU 173 N 6.25 0.93 -2.08 0.00 4.81 -1.95 -3.34 114.58 119.20 3mka h GLU 173 Ca -0.29 -0.10 -0.55 0.00 -0.13 0.00 0.00 59.36 58.30 3mka h GLU 173 Cb 1.19 -0.19 -0.40 0.00 0.63 0.00 0.00 28.75 29.98 3mka h GLU 173 CO 0.47 0.68 -0.97 0.09 -0.73 0.00 0.00 179.01 178.56 3mka n ASN 174 N -4.54 1.68 -4.78 1.04 3.02 -1.26 -4.54 115.26 105.89 3mka n ASN 174 Ca 0.05 -3.07 -0.36 0.00 -0.03 0.00 0.00 54.58 51.17 3mka n ASN 174 Cb 0.08 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.59 3mka n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mka s ALA 175 N -2.11 2.93 0.82 5.41 0.00 -1.25 -4.57 121.76 122.99 3mka s ALA 175 Ca 0.39 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 3mka s ALA 175 Cb 0.23 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 20.13 3mka s ALA 175 CO -0.09 -0.45 1.09 -1.12 0.00 0.00 0.00 175.76 175.20 3mka s SER 176 N -1.66 4.10 0.20 0.00 0.01 -1.26 -3.19 113.70 111.91 3mka s SER 176 Ca 0.64 1.72 -0.11 0.00 1.31 0.00 0.00 55.95 59.51 3mka s SER 176 Cb -0.22 -2.40 0.12 0.00 0.21 0.00 0.00 66.02 63.73 3mka s SER 176 CO 0.27 -2.27 1.84 0.25 0.41 0.00 0.00 173.24 173.74 3mka h LEU 177 N -1.30 0.82 -0.33 2.44 5.85 -1.98 0.64 115.31 121.45 3mka h LEU 177 Ca -0.46 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 3mka h LEU 177 Cb 1.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3mka h LEU 177 CO 0.52 0.63 0.09 0.74 -0.34 0.00 0.00 178.44 180.09 3mka h THR 178 N 0.93 1.21 -0.50 1.05 2.02 -1.91 -0.16 112.91 115.56 3mka h THR 178 Ca 0.25 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 3mka h THR 178 Cb -0.04 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3mka h THR 178 CO -0.05 0.24 0.20 0.44 0.37 0.00 0.00 175.52 176.72 3mka h ASP 179 N 0.37 0.69 -0.78 4.18 3.32 -1.86 -0.28 116.42 122.07 3mka h ASP 179 Ca 0.10 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 3mka h ASP 179 Cb 0.27 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3mka h ASP 179 CO -0.00 0.68 0.31 0.00 -1.72 0.00 0.00 179.24 178.50 3mka h ALA 180 N 1.04 1.01 -0.56 3.45 0.00 -0.78 -0.53 119.26 122.90 3mka h ALA 180 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3mka h ALA 180 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3mka h ALA 180 CO -0.01 0.64 0.24 1.25 0.00 0.00 0.00 179.25 181.37 3mka h LEU 181 N 1.13 0.75 -0.62 0.00 5.85 -0.61 -0.34 115.31 121.48 3mka h LEU 181 Ca 0.26 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3mka h LEU 181 Cb 0.22 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3mka h LEU 181 CO -0.02 0.69 0.29 0.08 -0.34 0.00 0.00 178.44 179.14 3mka h ARG 182 N 0.75 0.89 -0.61 1.25 0.11 -0.58 -0.06 114.38 116.13 3mka h ARG 182 Ca 0.19 -0.14 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 3mka h ARG 182 Cb 0.16 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 3mka h ARG 182 CO -0.02 0.73 0.34 0.82 0.10 0.00 0.00 179.97 181.93 3mka h ILE 183 N 0.85 1.19 -0.57 0.08 2.04 -0.65 0.38 117.51 120.83 3mka h ILE 183 Ca 0.21 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3mka h ILE 183 Cb 0.13 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3mka h ILE 183 CO -0.02 0.21 0.20 0.00 0.00 0.00 0.00 178.15 178.53 3mka h ALA 184 N 1.16 0.75 -0.72 1.87 0.00 -0.65 -0.30 119.26 121.37 3mka h ALA 184 Ca 0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3mka h ALA 184 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3mka h ALA 184 CO -0.04 0.40 0.31 0.28 0.00 0.00 0.00 179.25 180.20 3mka h VAL 185 N 0.80 1.24 -0.36 0.00 2.07 -0.65 -0.58 116.25 118.77 3mka h VAL 185 Ca 0.19 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3mka h VAL 185 Cb 0.26 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3mka h VAL 185 CO -0.01 0.30 0.18 0.00 0.02 0.00 0.00 177.57 178.06 3mka h ALA 186 N 1.15 0.46 -0.66 1.67 0.00 -0.49 -0.13 119.26 121.25 3mka h ALA 186 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3mka h ALA 186 Cb 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3mka h ALA 186 CO -0.02 0.02 0.36 0.00 0.00 0.00 0.00 179.25 179.60 3mka h ALA 187 N 1.03 0.85 -0.50 0.00 0.00 -0.59 0.10 119.26 120.16 3mka h ALA 187 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3mka h ALA 187 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3mka h ALA 187 CO -0.02 0.37 0.24 -0.07 0.00 0.00 0.00 179.25 179.78 3mka h LEU 188 N 0.91 0.64 -0.55 0.00 3.38 -0.68 1.66 115.31 120.67 3mka h LEU 188 Ca 0.23 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3mka h LEU 188 Cb 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3mka h LEU 188 CO -0.04 0.59 0.01 -0.09 0.09 0.00 0.00 178.44 178.99 3mka h ARG 189 N 0.66 0.96 -0.75 1.13 2.43 -0.73 -1.90 114.38 116.18 3mka h ARG 189 Ca 0.17 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3mka h ARG 189 Cb 0.11 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3mka h ARG 189 CO -0.02 0.97 0.27 0.00 -1.51 0.00 0.00 179.97 179.67 3mka h ALA 190 N 0.96 1.06 -0.80 2.80 0.00 -0.41 -2.14 119.26 120.73 3mka h ALA 190 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 190 Cb 0.53 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3mka h ALA 190 CO 0.03 0.65 0.38 0.78 0.00 0.00 0.00 179.25 181.08 3mka h GLY 191 N 1.12 1.23 0.00 0.00 0.00 0.31 -3.45 103.07 102.29 3mka h GLY 191 Ca 0.25 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3mka h GLY 191 CO -0.01 0.59 0.00 -1.26 0.00 0.00 0.00 176.54 175.85 3mka n SER 192 N -4.35 0.00 0.00 0.19 2.88 -0.78 -4.78 113.62 106.79 3mka n SER 192 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 3mka n SER 192 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.33 2.41 0.33 0.46 0.00 -1.26 -4.90 105.19 101.90 3mka n GLY 204 Ca 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 3mka n GLY 204 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mka h VAL 205 N 0.00 1.25 -0.71 1.61 2.07 -1.98 -2.19 116.25 116.30 3mka h VAL 205 Ca 0.00 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3mka h VAL 205 Cb 0.00 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3mka h VAL 205 CO 0.00 0.31 0.31 0.00 0.02 0.00 0.00 177.57 178.20 3mka h ALA 206 N 1.20 1.20 -0.01 1.67 0.00 -1.98 -2.83 119.26 118.51 3mka h ALA 206 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3mka h ALA 206 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3mka h ALA 206 CO -0.03 0.59 -0.03 -1.13 0.00 0.00 0.00 179.25 178.65 3mka n SER 207 N -4.31 1.50 -4.31 0.00 3.41 -1.09 -4.65 113.62 104.17 3mka n SER 207 Ca 0.07 -1.45 -0.32 0.00 -0.26 0.00 0.00 58.87 56.91 3mka n SER 207 Cb 0.16 0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.05 2.19 -0.19 1.04 1.02 -0.84 -0.76 118.68 119.08 3mka s LEU 208 Ca 0.36 -0.45 -0.04 0.00 0.02 0.00 0.00 54.13 54.02 3mka s LEU 208 Cb 0.21 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.99 3mka s LEU 208 CO 0.35 0.27 -0.03 -0.70 0.02 0.00 0.00 176.35 176.26 3mka s GLU 209 N -0.29 3.52 0.01 1.70 2.12 -0.42 -4.86 118.70 120.47 3mka s GLU 209 Ca 0.01 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.78 3mka s GLU 209 Cb -0.13 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 3mka s GLU 209 CO 0.02 -0.01 -0.06 0.08 -0.54 0.00 0.00 175.26 174.76 3mka s VAL 210 N 1.01 0.48 0.10 3.70 1.01 -1.26 -1.83 120.40 123.61 3mka s VAL 210 Ca 0.01 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 3mka s VAL 210 Cb -0.15 -0.44 0.08 0.00 0.00 0.00 0.00 36.38 35.88 3mka s VAL 210 CO 0.01 0.03 0.71 0.00 0.00 0.00 0.00 175.10 175.84 3mka s ALA 211 N -0.39 -1.68 0.04 5.51 0.00 -0.93 -1.41 121.76 122.90 3mka s ALA 211 Ca -0.00 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.56 3mka s ALA 211 Cb -0.04 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 3mka s ALA 211 CO -0.00 -0.74 0.16 0.14 0.00 0.00 0.00 175.76 175.31 3mka s VAL 212 N -3.52 0.12 -0.35 0.00 -7.23 0.14 -1.23 120.40 108.34 3mka s VAL 212 Ca 0.03 -0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 59.05 3mka s VAL 212 Cb -0.01 -0.92 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 3mka s VAL 212 CO -0.11 -0.54 0.40 -0.76 -0.31 0.00 0.00 175.10 173.77 3mka s LEU 213 N -2.13 4.47 -0.30 1.32 1.43 -0.58 -1.03 118.68 121.87 3mka s LEU 213 Ca -0.05 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3mka s LEU 213 Cb -0.01 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3mka s LEU 213 CO -0.04 -0.39 0.19 -0.62 0.23 0.00 0.00 176.35 175.71 3mka s ASP 214 N 1.75 5.90 0.33 2.29 2.15 0.19 -2.86 116.67 126.42 3mka s ASP 214 Ca 0.13 -0.19 0.02 0.00 0.43 0.00 0.00 52.55 52.93 3mka s ASP 214 Cb -0.16 -2.09 0.56 0.00 -0.30 0.00 0.00 42.92 40.92 3mka s ASP 214 CO 0.12 -0.11 1.93 0.00 -0.17 0.00 0.00 175.17 176.94 3mka h ALA 215 N 8.39 1.41 -0.79 3.66 0.00 -1.81 -2.58 119.26 127.55 3mka h ALA 215 Ca -0.34 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3mka h ALA 215 Cb 1.18 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3mka h ALA 215 CO 0.58 0.46 0.52 -0.97 0.00 0.00 0.00 179.25 179.84 3mka h ASN 216 N 0.77 0.82 -3.17 0.00 -1.24 -1.93 -3.39 115.58 107.44 3mka h ASN 216 Ca 0.19 -0.01 -0.54 0.00 0.71 0.00 0.00 56.30 56.65 3mka h ASN 216 Cb 0.10 -0.19 0.09 0.00 0.73 0.00 0.00 38.32 39.05 3mka h ASN 216 CO -0.02 0.56 0.82 0.54 -1.29 0.00 0.00 177.43 178.04 3mka n ARG 217 N -4.45 2.56 -0.15 6.67 5.12 -0.97 -4.91 116.66 120.53 3mka n ARG 217 Ca 0.10 0.91 -0.09 0.00 -1.93 0.00 0.00 57.85 56.84 3mka n ARG 217 Cb 0.13 -2.66 -0.00 0.00 -1.16 0.00 0.00 32.46 28.76 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 4.61 0.65 0.00 5.56 0.13 -1.88 -3.41 132.00 137.66 3mka h PRO 218 Ca -0.47 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 3mka h PRO 218 Cb 1.24 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3mka h PRO 218 CO 0.78 0.62 0.00 -2.13 -0.23 0.00 0.00 178.00 177.04 3mka n ARG 219 N -4.60 0.00 -2.98 0.86 0.63 -1.26 -4.26 116.66 105.05 3mka n ARG 219 Ca 0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.49 3mka n ARG 219 Cb 0.16 -0.34 -0.04 0.00 0.45 0.00 0.00 32.46 32.70 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 -1.89 3.12 0.27 -0.14 0.52 -1.26 -4.39 118.95 115.16 3mka s ARG 220 Ca 0.00 -1.13 -0.01 0.00 -0.52 0.00 0.00 55.73 54.07 3mka s ARG 220 Cb 0.00 -4.29 0.36 0.00 0.52 0.00 0.00 34.95 31.54 3mka s ARG 220 CO 0.00 -1.69 1.76 0.00 0.02 0.00 0.00 175.30 175.40 3mka h ALA 221 N 9.33 1.12 -2.55 2.13 0.00 -1.37 -3.45 119.26 124.46 3mka h ALA 221 Ca -0.26 -0.27 -0.52 0.00 0.00 0.00 0.00 54.91 53.86 3mka h ALA 221 Cb 1.07 -0.18 0.04 0.00 0.00 0.00 0.00 17.79 18.73 3mka h ALA 221 CO 1.14 0.56 1.05 0.12 0.00 0.00 0.00 179.25 182.12 3mka s PHE 222 N -4.93 2.45 -0.06 0.00 5.36 -1.26 -0.64 117.98 118.91 3mka s PHE 222 Ca -0.09 0.17 -0.03 0.00 -0.96 0.00 0.00 56.93 56.02 3mka s PHE 222 Cb 0.15 -4.12 0.03 0.00 -0.34 0.00 0.00 43.02 38.74 3mka s PHE 222 CO 0.81 -4.48 0.15 1.03 -1.46 0.00 0.00 175.22 171.26 3mka s ARG 223 N 2.18 0.11 -0.12 10.12 0.52 -0.20 -4.96 118.95 126.61 3mka s ARG 223 Ca 0.78 0.33 -0.18 0.00 -0.52 0.00 0.00 55.73 56.14 3mka s ARG 223 Cb -0.46 -0.12 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 3mka s ARG 223 CO 0.34 -0.13 0.48 1.03 0.02 0.00 0.00 175.30 177.04 3mka s ARG 224 N 0.93 4.33 -0.44 3.54 0.52 -1.26 0.29 118.95 126.85 3mka s ARG 224 Ca -0.07 0.45 -0.16 0.00 -0.52 0.00 0.00 55.73 55.43 3mka s ARG 224 Cb -0.09 -3.45 0.05 0.00 0.52 0.00 0.00 34.95 31.98 3mka s ARG 224 CO -0.05 0.13 0.38 0.42 0.02 0.00 0.00 175.30 176.20 3mka s ILE 225 N 0.70 5.21 0.21 1.52 1.01 -0.50 -4.95 121.20 124.39 3mka s ILE 225 Ca 0.26 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 60.21 3mka s ILE 225 Cb -0.15 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3mka s ILE 225 CO 0.10 -0.47 -0.17 0.28 0.00 0.00 0.00 174.94 174.69 3mka s THR 226 N 1.77 1.93 0.00 2.92 -1.32 -1.26 -4.34 115.64 115.33 3mka s THR 226 Ca 0.06 -2.15 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 3mka s THR 226 Cb -0.21 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 3mka s THR 226 CO 0.09 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 3mka n GLY 227 N -0.20 2.64 0.39 6.08 0.00 -1.26 -2.78 105.19 110.07 3mka n GLY 227 Ca -0.09 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3mka n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mka h SER 228 N 0.00 -1.60 -0.86 1.61 0.02 -1.99 0.99 113.55 111.72 3mka h SER 228 Ca 0.00 0.28 0.07 0.00 -0.84 0.00 0.00 61.79 61.30 3mka h SER 228 Cb 0.00 0.76 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 3mka h SER 228 CO 0.00 -0.30 0.56 0.00 -1.14 0.00 0.00 176.83 175.95 3mka h ALA 229 N 0.87 1.57 0.08 3.77 0.00 -1.93 -0.00 119.26 123.62 3mka h ALA 229 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3mka h ALA 229 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3mka h ALA 229 CO -0.84 0.30 -0.04 1.25 0.00 0.00 0.00 179.25 179.92 3mka h LEU 230 N 0.95 -0.09 -0.73 0.00 5.85 -1.05 -1.60 115.31 118.64 3mka h LEU 230 Ca 0.37 -0.37 0.15 0.00 0.84 0.00 0.00 57.88 58.87 3mka h LEU 230 Cb 0.23 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 3mka h LEU 230 CO -0.14 0.33 0.22 -0.61 -0.34 0.00 0.00 178.44 177.91 3mka h GLN 231 N -0.54 0.33 -0.16 1.25 5.75 -0.40 0.39 115.11 121.73 3mka h GLN 231 Ca -0.01 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3mka h GLN 231 Cb 0.46 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 3mka h GLN 231 CO 0.02 0.22 0.10 0.00 -2.65 0.00 0.00 178.83 176.51 3mka h ALA 232 N 1.57 0.20 -0.73 3.38 0.00 -0.90 -1.88 119.26 120.90 3mka h ALA 232 Ca 0.40 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 3mka h ALA 232 Cb 0.65 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3mka h ALA 232 CO -0.45 -0.33 0.31 1.25 0.00 0.00 0.00 179.25 180.03 3mka h LEU 233 N 0.20 0.97 -0.88 0.00 6.46 -0.08 -2.59 115.31 119.38 3mka h LEU 233 Ca 0.06 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 3mka h LEU 233 Cb -0.01 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 39.63 3mka h LEU 233 CO -0.02 0.85 0.49 -0.07 -0.62 0.00 0.00 178.44 179.06 3mka h LEU 234 N 1.04 1.10 0.00 2.25 3.38 0.08 -3.46 115.31 119.70 3mka h LEU 234 Ca 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3mka h LEU 234 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3mka h LEU 234 CO -0.02 0.88 0.00 0.52 0.09 0.00 0.00 178.44 179.90