#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka n TYR 5 N 0.00 4.04 -1.67 0.54 4.02 -1.26 -4.93 117.16 117.90 3mka n TYR 5 Ca 0.00 -2.93 -0.42 0.00 -0.01 0.00 0.00 57.90 54.54 3mka n TYR 5 Cb 0.00 -2.55 -0.03 0.00 -0.02 0.00 0.00 39.34 36.74 3mka n TYR 5 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3mka s PHE 6 N 3.46 1.26 0.41 -0.72 0.08 -1.26 -4.99 117.98 116.22 3mka s PHE 6 Ca 0.49 -0.37 0.04 0.00 0.12 0.00 0.00 56.93 57.22 3mka s PHE 6 Cb 0.09 -4.22 -0.04 0.00 -0.57 0.00 0.00 43.02 38.28 3mka s PHE 6 CO -0.01 -5.44 0.06 0.96 -0.10 0.00 0.00 175.22 170.69 3mka s ILE 7 N 4.85 1.17 0.31 0.64 -4.36 -1.26 -5.15 121.20 117.41 3mka s ILE 7 Ca 0.90 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 59.31 3mka s ILE 7 Cb -0.42 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.70 3mka s ILE 7 CO 0.41 0.00 0.48 -0.94 0.24 0.00 0.00 174.94 175.13 3mka s SER 8 N -3.65 6.24 0.13 4.36 1.04 -1.26 -4.86 113.70 115.70 3mka s SER 8 Ca 0.25 0.23 -0.21 0.00 0.48 0.00 0.00 55.95 56.71 3mka s SER 8 Cb 0.06 -1.86 0.01 0.00 0.10 0.00 0.00 66.02 64.33 3mka s SER 8 CO 0.13 -0.25 1.16 -2.65 0.98 0.00 0.00 173.24 172.60 3mka n PRO 9 N -1.65 -0.29 -0.31 4.02 -0.02 -1.26 -0.55 135.00 134.94 3mka n PRO 9 Ca -0.06 1.14 -0.04 0.00 -2.02 0.00 0.00 63.50 62.52 3mka n PRO 9 Cb 0.57 -1.68 0.08 0.00 -0.02 0.00 0.00 33.50 32.45 3mka n PRO 9 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3mka h GLU 10 N 0.00 1.19 0.00 -0.52 4.11 -2.01 -2.83 114.58 114.53 3mka h GLU 10 Ca 0.16 -0.15 -0.20 0.00 0.07 0.00 0.00 59.36 59.24 3mka h GLU 10 Cb 0.34 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3mka h GLU 10 CO -0.71 0.88 -1.11 -0.56 0.07 0.00 0.00 179.01 177.58 3mka h GLN 11 N 1.19 0.00 -0.54 1.06 3.07 -1.66 -2.46 115.11 115.77 3mka h GLN 11 Ca 0.30 0.00 0.06 0.00 0.09 0.00 0.00 58.65 59.10 3mka h GLN 11 Cb 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.55 3mka h GLN 11 CO -0.05 0.68 0.24 0.00 0.09 0.00 0.00 178.83 179.79 3mka h ALA 12 N 1.17 0.69 -0.35 0.06 0.00 -0.77 2.86 119.26 122.92 3mka h ALA 12 Ca -0.09 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3mka h ALA 12 Cb 1.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3mka h ALA 12 CO 0.09 -0.14 -0.19 0.52 0.00 0.00 0.00 179.25 179.53 3mka h MET 13 N 0.45 0.75 0.20 0.00 2.86 -1.54 -1.51 114.93 116.14 3mka h MET 13 Ca 0.26 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3mka h MET 13 Cb 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3mka h MET 13 CO -0.22 0.95 -0.14 -0.09 1.06 0.00 0.00 176.91 178.48 3mka h ARG 14 N 0.53 -0.32 0.37 1.72 9.65 -0.74 0.99 114.38 126.58 3mka h ARG 14 Ca 0.08 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 3mka h ARG 14 Cb 0.74 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 3mka h ARG 14 CO 0.06 -0.21 -0.20 0.93 2.80 0.00 0.00 179.97 183.35 3mka h GLU 15 N -0.33 -0.51 -0.61 0.20 5.08 0.51 -1.07 114.58 117.85 3mka h GLU 15 Ca -0.01 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3mka h GLU 15 Cb 0.29 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3mka h GLU 15 CO 0.01 -0.34 0.36 0.00 -1.00 0.00 0.00 179.01 178.04 3mka h ARG 16 N -0.53 0.84 -0.66 2.33 3.08 -1.20 0.53 114.38 118.78 3mka h ARG 16 Ca -0.05 -0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.04 3mka h ARG 16 Cb 0.41 -0.17 -0.09 0.00 0.08 0.00 0.00 29.97 30.20 3mka h ARG 16 CO 0.07 0.62 0.20 1.03 -1.07 0.00 0.00 179.97 180.81 3mka h SER 17 N 0.83 0.12 -0.16 7.04 0.87 0.12 0.45 113.55 122.82 3mka h SER 17 Ca 0.22 0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 3mka h SER 17 Cb 0.00 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3mka h SER 17 CO -0.04 0.05 -0.08 -0.33 -0.53 0.00 0.00 176.83 175.90 3mka h GLU 18 N 0.34 0.33 -0.86 2.24 4.39 0.06 0.23 114.58 121.30 3mka h GLU 18 Ca 0.35 -0.14 0.19 0.00 0.34 0.00 0.00 59.36 60.09 3mka h GLU 18 Cb 0.53 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.06 3mka h GLU 18 CO -0.40 0.65 0.39 1.25 -1.16 0.00 0.00 179.01 179.74 3mka h LEU 19 N -0.00 0.39 0.20 1.33 6.46 0.13 0.31 115.31 124.12 3mka h LEU 19 Ca 0.03 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 3mka h LEU 19 Cb 0.55 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 3mka h LEU 19 CO 0.02 0.09 -0.09 0.00 -0.62 0.00 0.00 178.44 177.83 3mka h ALA 20 N 1.64 -0.26 -0.51 1.25 0.00 0.11 -2.97 119.26 118.52 3mka h ALA 20 Ca 0.51 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.31 3mka h ALA 20 Cb 0.87 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 3mka h ALA 20 CO -0.46 -0.35 -0.22 -0.09 0.00 0.00 0.00 179.25 178.13 3mka h ARG 21 N -0.86 -0.10 0.14 0.00 2.43 0.92 -1.84 114.38 115.06 3mka h ARG 21 Ca -0.03 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3mka h ARG 21 Cb 0.51 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3mka h ARG 21 CO 0.04 -0.07 -0.42 0.87 -1.51 0.00 0.00 179.97 178.89 3mka h LYS 22 N -0.11 -0.64 -0.86 0.20 1.57 -0.54 0.19 116.57 116.38 3mka h LYS 22 Ca 0.24 0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.28 3mka h LYS 22 Cb 0.48 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 32.80 3mka h LYS 22 CO -0.58 -0.43 0.25 0.78 -0.57 0.00 0.00 179.45 178.91 3mka h GLY 23 N -0.67 1.33 0.62 3.86 0.00 -1.20 0.18 103.07 107.20 3mka h GLY 23 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3mka h GLY 23 CO -0.23 -0.32 -0.06 -2.22 0.00 0.00 0.00 176.54 173.70 3mka h ILE 24 N 0.25 1.05 -0.89 2.60 2.04 -0.61 -3.00 117.51 118.97 3mka h ILE 24 Ca 0.53 -0.79 0.24 0.00 1.00 0.00 0.00 64.86 65.83 3mka h ILE 24 Cb 1.04 1.54 -0.15 0.00 -0.74 0.00 0.00 36.82 38.51 3mka h ILE 24 CO -0.61 0.19 0.13 0.00 0.00 0.00 0.00 178.15 177.85 3mka h ALA 25 N 0.27 1.16 0.00 1.87 0.00 0.99 0.29 119.26 123.83 3mka h ALA 25 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3mka h ALA 25 Cb 0.43 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3mka h ALA 25 CO 0.03 -0.50 0.00 -2.13 0.00 0.00 0.00 179.25 176.64 3mka n ARG 26 N -5.33 0.58 -3.73 0.00 0.63 0.45 -3.01 116.66 106.24 3mka n ARG 26 Ca 0.21 0.03 -0.20 0.00 -0.92 0.00 0.00 57.85 56.96 3mka n ARG 26 Cb 0.68 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 32.06 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 -2.17 3.98 1.02 5.13 0.00 0.87 -4.91 121.76 125.68 3mka s ALA 27 Ca 0.29 -1.49 -0.13 0.00 0.00 0.00 0.00 51.96 50.63 3mka s ALA 27 Cb 0.15 -1.46 0.14 0.00 0.00 0.00 0.00 23.12 21.94 3mka s ALA 27 CO 0.28 0.05 0.70 1.63 0.00 0.00 0.00 175.76 178.42 3mka n LYS 28 N -1.46 -1.02 -4.29 0.00 4.01 -1.26 -1.31 118.16 112.82 3mka n LYS 28 Ca -0.03 -0.26 -0.25 0.00 -0.51 0.00 0.00 58.31 57.27 3mka n LYS 28 Cb 0.58 -2.06 -0.08 0.00 -0.51 0.00 0.00 35.03 32.96 3mka n LYS 28 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3mka s SER 29 N -2.27 4.41 0.01 4.39 0.01 -1.26 -3.84 113.70 115.15 3mka s SER 29 Ca 0.62 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.29 3mka s SER 29 Cb -0.21 -0.79 -0.01 0.00 0.21 0.00 0.00 66.02 65.22 3mka s SER 29 CO 0.64 0.06 -0.02 -0.69 0.41 0.00 0.00 173.24 173.63 3mka s VAL 30 N -1.99 0.12 0.03 3.43 1.01 0.52 -1.28 120.40 122.24 3mka s VAL 30 Ca 0.28 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3mka s VAL 30 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 3mka s VAL 30 CO 0.17 -0.19 -0.12 0.68 0.00 0.00 0.00 175.10 175.65 3mka s VAL 31 N -0.61 0.95 -0.04 2.92 -7.23 0.76 -1.29 120.40 115.85 3mka s VAL 31 Ca -0.06 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3mka s VAL 31 Cb -0.04 -0.88 0.02 0.00 0.56 0.00 0.00 36.38 36.04 3mka s VAL 31 CO -0.00 -0.04 -0.02 0.00 -0.31 0.00 0.00 175.10 174.72 3mka s ALA 32 N -0.85 0.57 0.01 1.32 0.00 0.17 -1.11 121.76 121.86 3mka s ALA 32 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 3mka s ALA 32 Cb -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3mka s ALA 32 CO 0.01 -0.10 0.01 -0.48 0.00 0.00 0.00 175.76 175.20 3mka s LEU 33 N 1.12 2.03 0.39 0.00 0.05 -0.69 0.84 118.68 122.42 3mka s LEU 33 Ca -0.08 -0.25 -0.26 0.00 0.05 0.00 0.00 54.13 53.59 3mka s LEU 33 Cb -0.14 0.16 -0.09 0.00 -2.05 0.00 0.00 46.19 44.07 3mka s LEU 33 CO -0.01 -0.19 1.20 0.00 -0.55 0.00 0.00 176.35 176.80 3mka s ALA 34 N -0.86 3.22 0.26 1.48 0.00 0.34 -1.90 121.76 124.31 3mka s ALA 34 Ca -0.09 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 3mka s ALA 34 Cb -0.06 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3mka s ALA 34 CO -0.00 -0.57 0.53 1.52 0.00 0.00 0.00 175.76 177.24 3mka s TYR 35 N -1.34 0.31 0.26 0.00 -0.85 0.30 -4.72 117.35 111.31 3mka s TYR 35 Ca 0.55 -0.69 -0.05 0.00 -0.52 0.00 0.00 57.07 56.36 3mka s TYR 35 Cb -0.33 0.28 0.31 0.00 0.38 0.00 0.00 41.96 42.60 3mka s TYR 35 CO 0.42 -1.07 1.92 0.00 -1.52 0.00 0.00 175.55 175.30 3mka h ALA 36 N 2.19 1.32 0.00 9.51 0.00 -1.74 0.20 119.26 130.75 3mka h ALA 36 Ca -0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3mka h ALA 36 Cb 1.25 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3mka h ALA 36 CO 0.34 0.61 -0.05 0.78 0.00 0.00 0.00 179.25 180.93 3mka h GLY 37 N 1.31 0.00 0.00 0.00 0.00 -1.93 -3.48 103.07 98.96 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 -0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.05 3mka n GLY 38 N -0.63 0.96 3.23 4.60 0.00 0.70 -3.05 105.19 111.00 3mka n GLY 38 Ca -0.02 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 3mka n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mka s VAL 39 N 0.00 1.92 -0.10 1.61 1.01 -1.09 0.11 120.40 123.86 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 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3mka s VAL 39 CO 0.00 0.54 -0.06 -0.22 0.00 0.00 0.00 175.10 175.36 3mka s LEU 40 N -0.07 3.21 -0.19 3.92 2.96 -0.80 -1.17 118.68 126.54 3mka s LEU 40 Ca -0.05 -0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3mka s LEU 40 Cb -0.14 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.84 3mka s LEU 40 CO 0.04 0.30 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.85 3mka s PHE 41 N -0.43 2.82 -0.05 5.38 0.08 0.34 -1.70 117.98 124.43 3mka s PHE 41 Ca 0.06 -1.41 0.01 0.00 0.12 0.00 0.00 56.93 55.71 3mka s PHE 41 Cb -0.12 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.38 3mka s PHE 41 CO 0.02 -0.71 -0.05 0.08 -0.10 0.00 0.00 175.22 174.46 3mka s VAL 42 N 1.30 0.60 0.01 -0.44 1.01 -0.27 -1.89 120.40 120.73 3mka s VAL 42 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3mka s VAL 42 Cb -0.14 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3mka s VAL 42 CO -0.09 0.25 -0.03 0.00 0.00 0.00 0.00 175.10 175.23 3mka s ALA 43 N 1.08 0.14 -0.24 5.51 0.00 -0.46 -0.17 121.76 127.62 3mka s ALA 43 Ca -0.08 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.23 3mka s ALA 43 Cb -0.14 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.05 3mka s ALA 43 CO -0.01 -0.07 0.99 -1.83 0.00 0.00 0.00 175.76 174.84 3mka s GLU 44 N -0.85 4.23 -0.25 0.00 -1.05 -0.40 -0.99 118.70 119.38 3mka s GLU 44 Ca -0.08 1.24 -0.02 0.00 -0.15 0.00 0.00 54.97 55.96 3mka s GLU 44 Cb -0.06 -3.65 0.14 0.00 -0.44 0.00 0.00 34.13 30.12 3mka s GLU 44 CO -0.00 -0.62 0.37 1.21 0.95 0.00 0.00 175.26 177.16 3mka s ASN 45 N 1.27 0.49 0.18 0.83 3.84 -0.95 -4.45 114.94 116.14 3mka s ASN 45 Ca 0.42 -0.03 -0.09 0.00 0.21 0.00 0.00 52.86 53.37 3mka s ASN 45 Cb -0.15 1.00 0.07 0.00 -0.55 0.00 0.00 41.25 41.62 3mka s ASN 45 CO 0.07 -0.32 1.64 -0.65 -2.79 0.00 0.00 177.10 175.05 3mka h PRO 46 N 8.20 1.09 -7.03 0.43 0.11 -1.89 -3.33 132.00 129.58 3mka h PRO 46 Ca -0.16 -0.34 -0.54 0.00 0.11 0.00 0.00 66.00 65.07 3mka h PRO 46 Cb 1.14 -0.10 0.11 0.00 0.11 0.00 0.00 31.00 32.26 3mka h PRO 46 CO 0.28 1.05 0.58 0.45 -0.21 0.00 0.00 178.00 180.15 3mka s SER 47 N -6.57 5.58 -0.00 -2.05 0.15 -1.26 -4.81 113.70 104.74 3mka s SER 47 Ca -0.12 2.66 0.20 0.00 0.70 0.00 0.00 55.95 59.39 3mka s SER 47 Cb 0.14 -2.63 -0.23 0.00 -1.71 0.00 0.00 66.02 61.59 3mka s SER 47 CO 0.86 -1.35 0.79 -1.14 1.20 0.00 0.00 173.24 173.61 3mka n ARG 48 N -0.78 0.42 -0.02 5.44 0.63 -1.26 -4.54 116.66 116.55 3mka n ARG 48 Ca 0.09 -0.03 0.02 0.00 -0.92 0.00 0.00 57.85 57.02 3mka n ARG 48 Cb 0.45 -1.45 -0.08 0.00 0.45 0.00 0.00 32.46 31.84 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 -1.58 2.75 -4.40 6.15 7.64 -1.26 -4.97 113.62 117.96 3mka n SER 49 Ca 0.03 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.51 3mka n SER 49 Cb 0.34 1.26 -0.11 0.00 -1.01 0.00 0.00 64.21 64.69 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 -3.94 4.52 0.43 -3.43 1.43 -1.26 -5.08 118.68 111.35 3mka s LEU 50 Ca -0.04 -0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 52.04 3mka s LEU 50 Cb 0.05 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 44.15 3mka s LEU 50 CO 0.40 -0.32 0.92 0.00 0.23 0.00 0.00 176.35 177.58 3mka s GLN 51 N 1.58 4.13 0.00 1.70 -2.07 -1.26 -4.86 119.66 118.87 3mka s GLN 51 Ca 0.03 1.00 0.00 0.00 -1.82 0.00 0.00 55.36 54.57 3mka s GLN 51 Cb -0.18 -2.21 0.00 0.00 -1.09 0.00 0.00 33.01 29.52 3mka s GLN 51 CO 0.07 -0.05 0.03 1.63 -1.32 0.00 0.00 175.29 175.64 3mka n LYS 52 N -0.82 4.03 -4.27 9.60 5.02 -1.26 -5.00 118.16 125.46 3mka n LYS 52 Ca 0.06 -0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 56.05 3mka n LYS 52 Cb 0.54 -0.37 -0.17 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.58 1.24 0.17 -0.18 1.01 -1.26 -0.86 121.20 120.74 3mka s ILE 53 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 3mka s ILE 53 Cb 0.00 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3mka s ILE 53 CO 0.00 0.39 0.15 -0.44 0.00 0.00 0.00 174.94 175.04 3mka s SER 54 N 1.18 0.18 -0.01 3.58 0.01 0.18 -5.00 113.70 113.81 3mka s SER 54 Ca -0.04 -1.21 -0.23 0.00 1.31 0.00 0.00 55.95 55.79 3mka s SER 54 Cb -0.14 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.41 3mka s SER 54 CO -0.03 -0.83 0.67 -0.70 0.41 0.00 0.00 173.24 172.76 3mka s GLU 55 N -4.08 4.40 -0.21 12.44 2.12 -1.26 -0.33 118.70 131.79 3mka s GLU 55 Ca 0.29 0.87 -0.16 0.00 0.36 0.00 0.00 54.97 56.32 3mka s GLU 55 Cb 0.06 -3.38 -0.08 0.00 0.26 0.00 0.00 34.13 30.99 3mka s GLU 55 CO 0.06 0.26 -0.35 1.28 -0.54 0.00 0.00 175.26 175.97 3mka n LEU 56 N 3.04 1.93 0.00 2.70 4.77 -0.02 -4.86 117.00 124.56 3mka n LEU 56 Ca -0.04 0.33 -0.04 0.00 -0.03 0.00 0.00 56.01 56.23 3mka n LEU 56 Cb 0.51 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3mka n LEU 56 CO 0.46 0.01 -0.02 0.00 -1.33 0.00 0.00 177.39 176.51 3mka n TYR 57 N -4.38 -0.18 -0.34 -1.77 9.36 -0.78 -4.73 117.16 114.35 3mka n TYR 57 Ca -0.28 -0.55 -0.12 0.00 3.32 0.00 0.00 57.90 60.27 3mka n TYR 57 Cb 0.64 0.06 -0.10 0.00 -0.63 0.00 0.00 39.34 39.31 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 0.41 -2.09 -0.16 2.98 3.32 -1.95 -2.85 116.42 116.08 3mka h ASP 58 Ca -0.05 0.31 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3mka h ASP 58 Cb 0.24 0.90 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3mka h ASP 58 CO 0.07 -0.28 -0.06 0.54 -1.72 0.00 0.00 179.24 177.79 3mka n ARG 59 N -5.28 2.06 -4.01 3.56 5.12 -1.26 -0.74 116.66 116.10 3mka n ARG 59 Ca 0.00 -2.85 -0.29 0.00 -1.93 0.00 0.00 57.85 52.78 3mka n ARG 59 Cb 0.28 -1.70 -0.17 0.00 -1.16 0.00 0.00 32.46 29.71 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 1.43 0.26 1.55 1.01 -1.08 -2.03 120.40 118.59 3mka s VAL 60 Ca 0.39 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.89 3mka s VAL 60 Cb 0.33 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3mka s VAL 60 CO 0.04 0.44 0.17 -0.83 0.00 0.00 0.00 175.10 174.92 3mka s GLY 61 N 1.52 1.46 -0.02 4.51 0.00 0.13 -0.84 107.32 114.07 3mka s GLY 61 Ca 0.04 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.32 3mka s GLY 61 CO -0.10 -1.50 -0.07 -0.12 0.00 0.00 0.00 173.10 171.32 3mka s PHE 62 N -2.17 0.75 -0.01 1.90 5.36 0.55 -0.80 117.98 123.56 3mka s PHE 62 Ca 0.33 -0.18 -0.01 0.00 -0.96 0.00 0.00 56.93 56.11 3mka s PHE 62 Cb -0.08 -0.57 0.00 0.00 -0.34 0.00 0.00 43.02 42.04 3mka s PHE 62 CO 0.24 -0.10 0.04 0.00 -1.46 0.00 0.00 175.22 173.94 3mka s ALA 63 N 0.33 -0.09 0.14 11.12 0.00 -0.22 0.47 121.76 133.50 3mka s ALA 63 Ca -0.04 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 3mka s ALA 63 Cb -0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3mka s ALA 63 CO 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 175.76 175.90 3mka s ALA 64 N 0.02 0.39 -0.03 0.00 0.00 -0.04 0.17 121.76 122.27 3mka s ALA 64 Ca -0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 3mka s ALA 64 Cb -0.00 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.92 3mka s ALA 64 CO 0.00 -0.55 0.09 0.00 0.00 0.00 0.00 175.76 175.30 3mka s ALA 65 N -3.99 -0.22 0.00 0.00 0.00 -0.56 -4.85 121.76 112.15 3mka s ALA 65 Ca 0.18 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3mka s ALA 65 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3mka s ALA 65 CO -0.01 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3mka n GLY 66 N 2.79 0.81 3.65 0.00 0.00 -1.26 -1.03 105.19 110.15 3mka n GLY 66 Ca -0.14 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.92 4.14 0.09 1.61 2.20 -0.01 -4.91 119.74 120.94 3mka s LYS 67 Ca 0.00 1.72 -0.27 0.00 -0.36 0.00 0.00 55.97 57.06 3mka s LYS 67 Cb 0.00 -3.85 -0.11 0.00 -1.51 0.00 0.00 37.83 32.36 3mka s LYS 67 CO 0.00 -0.84 1.44 0.35 -0.36 0.00 0.00 175.35 175.93 3mka h PHE 68 N 8.86 -1.24 -1.11 4.03 3.57 -1.96 -1.50 116.94 127.59 3mka h PHE 68 Ca -0.30 0.04 0.31 0.00 3.53 0.00 0.00 57.97 61.55 3mka h PHE 68 Cb 1.12 0.54 -0.07 0.00 2.79 0.00 0.00 35.95 40.33 3mka h PHE 68 CO 0.84 -0.46 0.76 -2.95 -2.23 0.00 0.00 178.31 174.27 3mka h ASN 69 N -0.55 0.20 0.63 0.41 7.08 -1.99 0.11 115.58 121.48 3mka h ASN 69 Ca 0.01 0.04 -0.23 0.00 -3.08 0.00 0.00 56.30 53.04 3mka h ASN 69 Cb 0.58 0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 36.82 3mka h ASN 69 CO -0.27 0.03 -1.01 -0.33 -2.08 0.00 0.00 177.43 173.77 3mka h GLU 70 N 0.17 0.22 0.00 4.14 5.08 -1.72 -2.97 114.58 119.50 3mka h GLU 70 Ca 0.58 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3mka h GLU 70 Cb 1.92 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.27 3mka h GLU 70 CO -0.15 1.06 -0.91 1.97 -1.00 0.00 0.00 179.01 179.98 3mka n PHE 71 N -3.59 0.54 -0.07 4.33 1.16 -0.23 -2.90 117.46 116.69 3mka n PHE 71 Ca -0.05 0.16 -0.12 0.00 -1.87 0.00 0.00 57.45 55.57 3mka n PHE 71 Cb 0.90 -0.65 0.01 0.00 -1.61 0.00 0.00 39.48 38.13 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 0.87 -0.33 5.98 3.58 -0.93 -0.23 116.42 125.36 3mka h ASP 72 Ca 0.00 -0.42 0.05 0.00 0.42 0.00 0.00 57.03 57.08 3mka h ASP 72 Cb 0.81 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 3mka h ASP 72 CO 0.00 1.19 0.04 -1.13 -2.88 0.00 0.00 179.24 176.46 3mka h ASN 73 N 0.64 -0.04 -0.47 2.28 -0.73 -1.55 -0.75 115.58 114.96 3mka h ASN 73 Ca 0.04 0.06 -0.06 0.00 1.87 0.00 0.00 56.30 58.21 3mka h ASN 73 Cb 1.03 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.69 3mka h ASN 73 CO 0.10 0.01 0.07 -0.07 -0.37 0.00 0.00 177.43 177.17 3mka h LEU 74 N 0.15 0.80 -0.56 0.34 4.07 -1.34 -2.58 115.31 116.19 3mka h LEU 74 Ca 0.16 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 3mka h LEU 74 Cb 0.19 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 3mka h LEU 74 CO -0.23 0.83 0.26 -0.09 -1.08 0.00 0.00 178.44 178.12 3mka h ARG 75 N 0.80 0.82 -0.31 1.13 2.43 -0.03 -1.50 114.38 117.72 3mka h ARG 75 Ca 0.17 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3mka h ARG 75 Cb 0.38 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3mka h ARG 75 CO 0.01 0.68 0.07 0.00 -1.51 0.00 0.00 179.97 179.22 3mka h ARG 76 N 0.77 0.49 0.00 0.20 3.08 -1.08 -2.03 114.38 115.80 3mka h ARG 76 Ca 0.19 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3mka h ARG 76 Cb 0.14 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3mka h ARG 76 CO -0.02 0.56 -0.08 0.78 -1.07 0.00 0.00 179.97 180.14 3mka h GLY 77 N 0.33 0.00 1.31 0.04 0.00 -1.39 -1.33 103.07 102.03 3mka h GLY 77 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.13 3mka h GLY 77 CO 0.00 0.00 -1.23 -1.33 0.00 0.00 0.00 176.54 173.98 3mka h GLY 78 N 1.33 0.64 1.30 4.60 0.00 -0.88 -1.56 103.07 108.51 3mka h GLY 78 Ca -0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 47.33 45.93 3mka h GLY 78 CO 0.01 1.19 0.18 -2.22 0.00 0.00 0.00 176.54 175.71 3mka h ILE 79 N 0.25 1.22 -0.32 2.60 2.04 -1.16 0.17 117.51 122.32 3mka h ILE 79 Ca -0.18 -0.77 -0.15 0.00 1.00 0.00 0.00 64.86 64.77 3mka h ILE 79 Cb 1.90 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3mka h ILE 79 CO 0.23 0.29 -0.39 1.56 0.00 0.00 0.00 178.15 179.85 3mka h GLN 80 N 0.86 0.76 -0.38 2.37 4.20 -1.13 -1.67 115.11 120.12 3mka h GLN 80 Ca 0.19 -0.39 -0.14 0.00 0.06 0.00 0.00 58.65 58.37 3mka h GLN 80 Cb 0.24 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3mka h GLN 80 CO -0.01 1.01 -0.32 0.35 -0.67 0.00 0.00 178.83 179.19 3mka h PHE 81 N 0.62 1.05 -0.13 2.96 3.57 -0.83 -2.30 116.94 121.89 3mka h PHE 81 Ca 0.05 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 61.22 3mka h PHE 81 Cb 0.93 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 3mka h PHE 81 CO 0.05 1.11 -0.04 0.00 -2.23 0.00 0.00 178.31 177.20 3mka h ALA 82 N 0.77 0.18 -0.48 2.41 0.00 -0.89 -1.82 119.26 119.43 3mka h ALA 82 Ca 0.07 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3mka h ALA 82 Cb 0.90 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3mka h ALA 82 CO 0.08 -0.07 0.23 -0.44 0.00 0.00 0.00 179.25 179.05 3mka h ASP 83 N -0.07 0.31 -0.58 0.00 3.32 -1.34 -0.60 116.42 117.46 3mka h ASP 83 Ca 0.03 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3mka h ASP 83 Cb 0.46 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3mka h ASP 83 CO 0.01 0.21 0.19 0.74 -1.72 0.00 0.00 179.24 178.67 3mka h THR 84 N 0.44 1.24 0.00 0.35 2.02 -1.37 -1.57 112.91 114.01 3mka h THR 84 Ca 0.22 -0.82 -0.18 0.00 0.77 0.00 0.00 66.41 66.40 3mka h THR 84 Cb 0.15 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3mka h THR 84 CO -0.17 0.32 -0.86 0.03 0.37 0.00 0.00 175.52 175.21 3mka h ARG 85 N 0.91 0.00 0.00 6.66 2.47 -0.83 -2.31 114.38 121.28 3mka h ARG 85 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3mka h ARG 85 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3mka h ARG 85 CO -0.01 0.86 0.00 0.41 0.56 0.00 0.00 179.97 181.79 3mka n GLY 86 N 1.01 -1.56 0.14 0.04 0.00 -0.28 -2.04 105.19 102.50 3mka n GLY 86 Ca -0.00 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3mka n GLY 86 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mka n TYR 87 N -2.28 1.19 0.28 1.61 9.36 -0.63 -3.25 117.16 123.44 3mka n TYR 87 Ca 0.04 0.25 0.15 0.00 3.32 0.00 0.00 57.90 61.67 3mka n TYR 87 Cb 0.36 -1.16 0.48 0.00 -0.63 0.00 0.00 39.34 38.40 3mka n TYR 87 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3mka h ALA 88 N 0.09 1.00 -3.00 2.98 0.00 -1.37 -3.44 119.26 115.52 3mka h ALA 88 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3mka h ALA 88 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3mka h ALA 88 CO 0.08 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.99 3mka n TYR 89 N -3.01 0.00 -4.19 0.00 4.01 -0.87 -5.09 117.16 108.01 3mka n TYR 89 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.62 3mka n TYR 89 Cb 0.39 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.31 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 1.50 0.45 7.72 2.15 -1.25 -4.89 116.67 123.36 3mka s ASP 90 Ca 0.00 -0.84 0.26 0.00 0.43 0.00 0.00 52.55 52.41 3mka s ASP 90 Cb 0.00 0.01 1.30 0.00 -0.30 0.00 0.00 42.92 43.93 3mka s ASP 90 CO 0.00 -0.27 1.74 0.03 -0.17 0.00 0.00 175.17 176.50 3mka h ARG 91 N 3.46 0.21 0.00 4.34 3.08 -1.88 0.15 114.38 123.75 3mka h ARG 91 Ca -0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3mka h ARG 91 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3mka h ARG 91 CO 0.54 0.14 0.00 -2.13 -1.07 0.00 0.00 179.97 177.45 3mka n ARG 92 N -4.51 0.30 0.00 0.04 3.00 -1.26 -2.63 116.66 111.61 3mka n ARG 92 Ca 0.28 0.07 0.12 0.00 -0.00 0.00 0.00 57.85 58.33 3mka n ARG 92 Cb 1.12 -1.50 0.16 0.00 0.00 0.00 0.00 32.46 32.24 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 -1.30 0.87 -4.66 6.15 8.00 0.53 -4.86 116.55 121.28 3mka n ASP 93 Ca 0.10 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.51 3mka n ASP 93 Cb 0.19 0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 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 -2.85 4.80 0.17 2.53 1.01 -1.08 -5.02 120.40 119.96 3mka s VAL 94 Ca 0.14 1.80 0.09 0.00 0.00 0.00 0.00 61.98 64.00 3mka s VAL 94 Cb 0.18 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3mka s VAL 94 CO 0.69 -0.05 -0.18 0.42 0.00 0.00 0.00 175.10 175.98 3mka s THR 95 N 2.56 1.84 0.18 3.92 -4.23 -1.26 -5.01 115.64 113.63 3mka s THR 95 Ca 0.41 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.82 3mka s THR 95 Cb -0.16 -1.89 0.08 0.00 1.34 0.00 0.00 72.50 71.87 3mka s THR 95 CO 0.11 -0.35 1.77 1.23 -0.54 0.00 0.00 174.62 176.83 3mka h GLY 96 N 3.12 0.92 0.19 3.99 0.00 -1.92 -2.23 103.07 107.13 3mka h GLY 96 Ca -0.42 -0.45 0.18 0.00 0.00 0.00 0.00 47.33 46.64 3mka h GLY 96 CO 0.53 0.43 0.60 -0.09 0.00 0.00 0.00 176.54 178.01 3mka h ARG 97 N 0.82 0.77 -0.33 4.80 2.43 -1.96 -0.79 114.38 120.12 3mka h ARG 97 Ca 0.21 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 3mka h ARG 97 Cb 0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3mka h ARG 97 CO -0.03 0.51 -0.28 1.96 -1.51 0.00 0.00 179.97 180.62 3mka h GLN 98 N 0.79 0.77 -0.75 0.20 4.20 -1.83 -0.90 115.11 117.59 3mka h GLN 98 Ca 0.56 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3mka h GLN 98 Cb 0.81 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 3mka h GLN 98 CO -0.36 1.01 0.44 -0.07 -0.67 0.00 0.00 178.83 179.18 3mka h LEU 99 N 0.55 0.92 -0.44 1.46 -0.00 -0.98 -1.21 115.31 115.61 3mka h LEU 99 Ca 0.06 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 3mka h LEU 99 Cb 0.84 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.25 3mka h LEU 99 CO 0.07 0.73 0.10 0.00 -0.00 0.00 0.00 178.44 179.35 3mka h ALA 100 N 1.23 0.58 -0.21 1.53 0.00 -1.07 -1.61 119.26 119.71 3mka h ALA 100 Ca 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 100 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3mka h ALA 100 CO -0.05 0.27 0.12 -0.97 0.00 0.00 0.00 179.25 178.62 3mka h ASN 101 N 0.58 0.25 -0.04 0.00 -0.73 -0.86 0.06 115.58 114.83 3mka h ASN 101 Ca 0.14 -0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.24 3mka h ASN 101 Cb 0.33 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.86 3mka h ASN 101 CO 0.00 0.20 -0.19 0.58 -0.37 0.00 0.00 177.43 177.65 3mka h VAL 102 N 0.29 1.46 -0.61 2.57 2.07 -0.84 -2.60 116.25 118.59 3mka h VAL 102 Ca 0.08 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 65.98 3mka h VAL 102 Cb 0.01 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 3mka h VAL 102 CO -0.01 0.46 0.36 1.88 0.02 0.00 0.00 177.57 180.28 3mka h TYR 103 N -0.34 0.68 -0.08 1.57 0.05 -0.90 0.04 116.97 117.98 3mka h TYR 103 Ca -0.01 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.83 3mka h TYR 103 Cb 0.85 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 3mka h TYR 103 CO 0.14 0.37 -0.29 0.00 -1.05 0.00 0.00 178.16 177.33 3mka h ALA 104 N 1.29 -0.35 -0.99 3.88 0.00 -1.01 0.12 119.26 122.20 3mka h ALA 104 Ca 0.26 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3mka h ALA 104 Cb 0.07 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3mka h ALA 104 CO -0.12 -0.77 0.65 0.37 0.00 0.00 0.00 179.25 179.37 3mka h GLN 105 N -0.39 1.20 0.40 0.00 5.75 -1.01 -0.41 115.11 120.65 3mka h GLN 105 Ca 0.09 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3mka h GLN 105 Cb 0.52 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.80 3mka h GLN 105 CO -0.30 0.79 -0.19 1.15 -2.65 0.00 0.00 178.83 177.63 3mka h THR 106 N 1.24 0.53 -0.92 2.39 2.02 -0.18 -1.65 112.91 116.33 3mka h THR 106 Ca 0.40 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 67.08 3mka h THR 106 Cb 0.04 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3mka h THR 106 CO -0.13 0.09 0.60 -0.07 0.37 0.00 0.00 175.52 176.38 3mka h LEU 107 N -0.87 1.02 -1.26 2.58 3.38 -0.99 0.77 115.31 119.94 3mka h LEU 107 Ca -0.05 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3mka h LEU 107 Cb 0.55 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3mka h LEU 107 CO 0.09 0.71 0.53 1.23 0.09 0.00 0.00 178.44 181.09 3mka h GLY 108 N 1.19 1.12 1.19 0.83 0.00 -1.03 0.50 103.07 106.88 3mka h GLY 108 Ca 0.36 -0.37 -0.29 0.00 0.00 0.00 0.00 47.33 47.03 3mka h GLY 108 CO -0.10 0.29 -1.22 -0.84 0.00 0.00 0.00 176.54 174.67 3mka h THR 109 N 0.92 1.29 -0.42 4.70 2.02 -0.22 -3.03 112.91 118.18 3mka h THR 109 Ca 0.33 -2.46 0.02 0.00 0.77 0.00 0.00 66.41 65.08 3mka h THR 109 Cb 0.15 2.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 3mka h THR 109 CO -0.11 0.75 0.24 0.40 0.37 0.00 0.00 175.52 177.16 3mka h ILE 110 N 0.23 1.02 -0.57 3.11 2.04 -0.35 0.69 117.51 123.69 3mka h ILE 110 Ca -0.19 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.60 3mka h ILE 110 Cb 1.90 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 3mka h ILE 110 CO 0.23 0.09 0.18 0.15 0.00 0.00 0.00 178.15 178.80 3mka h PHE 111 N 0.47 0.30 -0.07 1.37 3.57 -0.98 -0.38 116.94 121.22 3mka h PHE 111 Ca 0.17 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.54 3mka h PHE 111 Cb 0.03 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.73 3mka h PHE 111 CO -0.08 0.05 -0.58 1.15 -2.23 0.00 0.00 178.31 176.62 3mka h THR 112 N 0.34 1.37 -0.29 4.41 2.02 -1.33 -3.40 112.91 116.02 3mka h THR 112 Ca 0.29 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.55 3mka h THR 112 Cb 0.38 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3mka h THR 112 CO -0.32 0.58 0.00 -0.62 0.37 0.00 0.00 175.52 175.52 3mka n GLU 113 N -4.19 2.17 -4.16 6.66 -0.58 0.20 -5.01 120.64 115.74 3mka n GLU 113 Ca -0.09 -2.01 -0.28 0.00 -0.42 0.00 0.00 57.16 54.36 3mka n GLU 113 Cb 0.64 -1.41 -0.08 0.00 -0.57 0.00 0.00 31.44 30.03 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 -1.30 2.50 0.22 3.49 -0.21 -0.16 -5.01 119.66 119.19 3mka s GLN 114 Ca 0.30 -0.95 -0.09 0.00 0.02 0.00 0.00 55.36 54.64 3mka s GLN 114 Cb 0.18 -2.47 0.17 0.00 1.00 0.00 0.00 33.01 31.89 3mka s GLN 114 CO 0.25 0.50 1.88 0.00 -2.12 0.00 0.00 175.29 175.80 3mka h ALA 115 N 3.10 1.02 -3.26 6.09 0.00 -1.94 -3.40 119.26 120.86 3mka h ALA 115 Ca -0.48 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.76 3mka h ALA 115 Cb 1.18 -0.32 -0.34 0.00 0.00 0.00 0.00 17.79 18.30 3mka h ALA 115 CO 0.59 0.45 -0.85 0.21 0.00 0.00 0.00 179.25 179.65 3mka s LYS 116 N -6.08 2.44 0.51 0.00 2.20 -1.26 -5.09 119.74 112.45 3mka s LYS 116 Ca -0.13 -0.65 -0.21 0.00 -0.36 0.00 0.00 55.97 54.63 3mka s LYS 116 Cb 0.15 -2.02 -0.07 0.00 -1.51 0.00 0.00 37.83 34.38 3mka s LYS 116 CO 0.79 -0.03 1.11 -2.14 -0.36 0.00 0.00 175.35 174.73 3mka s PRO 117 N 0.88 3.57 0.23 4.03 0.02 -1.26 -4.92 135.00 137.54 3mka s PRO 117 Ca -0.08 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.23 3mka s PRO 117 Cb -0.15 -2.13 -0.10 0.00 0.02 0.00 0.00 34.50 32.14 3mka s PRO 117 CO -0.01 -0.67 1.40 0.71 -0.33 0.00 0.00 177.00 178.10 3mka s TYR 118 N -1.76 3.11 -1.21 6.54 1.51 -1.26 -4.84 117.35 119.44 3mka s TYR 118 Ca 0.69 1.09 -0.07 0.00 -1.01 0.00 0.00 57.07 57.76 3mka s TYR 118 Cb -0.23 -3.74 0.22 0.00 -0.11 0.00 0.00 41.96 38.09 3mka s TYR 118 CO 0.27 -2.40 1.74 0.39 -1.11 0.00 0.00 175.55 174.44 3mka n GLU 119 N 2.49 3.94 -3.82 -0.62 1.02 -1.26 -4.74 120.64 117.65 3mka n GLU 119 Ca 0.07 -3.90 -0.09 0.00 -0.02 0.00 0.00 57.16 53.22 3mka n GLU 119 Cb 0.41 -2.77 -0.07 0.00 -0.02 0.00 0.00 31.44 28.99 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 -0.78 0.13 -0.03 2.62 -7.23 -1.26 -0.83 120.40 113.01 3mka s VAL 120 Ca 0.36 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 3mka s VAL 120 Cb 0.08 -1.24 0.03 0.00 0.56 0.00 0.00 36.38 35.81 3mka s VAL 120 CO 0.04 -0.58 0.07 -0.70 -0.31 0.00 0.00 175.10 173.63 3mka s GLU 121 N -3.60 0.02 0.11 4.82 2.12 -0.20 -3.08 118.70 118.89 3mka s GLU 121 Ca 0.03 0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.60 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 -0.10 -0.14 -0.05 -0.48 -0.54 0.00 0.00 175.26 173.96 3mka s LEU 122 N 0.91 2.42 -0.10 2.70 0.05 -0.66 -1.49 118.68 122.50 3mka s LEU 122 Ca -0.07 -1.04 0.03 0.00 0.05 0.00 0.00 54.13 53.09 3mka s LEU 122 Cb -0.10 -0.06 0.01 0.00 -2.05 0.00 0.00 46.19 43.99 3mka s LEU 122 CO -0.03 -0.49 -0.19 0.00 -0.55 0.00 0.00 176.35 175.09 3mka s VAL 124 N 0.71 3.33 -0.02 0.00 1.01 -0.65 -1.06 120.40 123.72 3mka s VAL 124 Ca -0.12 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.42 3mka s VAL 124 Cb -0.16 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3mka s VAL 124 CO 0.02 0.41 -0.25 0.00 0.00 0.00 0.00 175.10 175.28 3mka s ALA 125 N 1.47 2.11 -0.08 5.51 0.00 0.02 -1.31 121.76 129.48 3mka s ALA 125 Ca 0.06 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3mka s ALA 125 Cb -0.14 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.45 3mka s ALA 125 CO -0.04 0.51 -0.07 -2.00 0.00 0.00 0.00 175.76 174.16 3mka s GLU 126 N -0.56 1.29 0.48 0.00 2.12 -0.60 0.20 118.70 121.63 3mka s GLU 126 Ca 0.09 -0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.29 3mka s GLU 126 Cb -0.10 -1.29 0.04 0.00 0.26 0.00 0.00 34.13 33.04 3mka s GLU 126 CO -0.01 -0.15 0.66 0.14 -0.54 0.00 0.00 175.26 175.36 3mka s VAL 127 N 1.30 2.68 0.76 3.70 -7.23 -0.86 -1.48 120.40 119.28 3mka s VAL 127 Ca -0.04 -0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 3mka s VAL 127 Cb -0.14 -2.70 0.05 0.00 0.56 0.00 0.00 36.38 34.15 3mka s VAL 127 CO -0.03 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 175.87 3mka s ALA 128 N -2.49 2.54 0.45 1.32 0.00 -1.26 -4.88 121.76 117.45 3mka s ALA 128 Ca 0.58 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 3mka s ALA 128 Cb -0.08 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 3mka s ALA 128 CO 0.35 -1.49 0.99 -1.01 0.00 0.00 0.00 175.76 174.61 3mka s HIS 129 N -3.28 3.17 -0.42 0.00 3.76 -1.26 -4.72 115.29 112.54 3mka s HIS 129 Ca 0.60 1.60 -0.45 0.00 -0.15 0.00 0.00 55.06 56.66 3mka s HIS 129 Cb -0.13 -2.96 -0.19 0.00 1.11 0.00 0.00 32.58 30.41 3mka s HIS 129 CO 0.53 -0.45 1.61 0.98 -0.85 0.00 0.00 174.74 176.55 3mka n TYR 130 N -0.75 1.78 0.00 1.40 9.36 -1.26 0.42 117.16 128.12 3mka n TYR 130 Ca 0.08 0.99 0.00 0.00 3.32 0.00 0.00 57.90 62.29 3mka n TYR 130 Cb 0.53 -2.28 0.00 0.00 -0.63 0.00 0.00 39.34 36.96 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 3.93 2.89 3.77 2.98 0.00 -1.26 -5.04 105.19 112.45 3mka n GLY 131 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.08 0.47 -0.34 1.61 2.02 0.17 -5.03 118.70 117.51 3mka s GLU 132 Ca 0.00 0.07 -0.01 0.00 0.02 0.00 0.00 54.97 55.05 3mka s GLU 132 Cb 0.00 -1.78 0.12 0.00 0.10 0.00 0.00 34.13 32.56 3mka s GLU 132 CO 0.00 -2.61 0.16 0.95 0.02 0.00 0.00 175.26 173.77 3mka s THR 133 N -3.33 0.57 0.00 3.63 -4.23 -1.26 -4.77 115.64 106.25 3mka s THR 133 Ca 0.68 -1.51 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 3mka s THR 133 Cb -0.11 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 3mka s THR 133 CO 0.54 -0.80 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.02 3mka s LYS 134 N 1.39 0.43 0.12 3.99 2.20 -1.26 -5.10 119.74 121.50 3mka s LYS 134 Ca 0.13 -0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 55.15 3mka s LYS 134 Cb -0.20 -0.38 -0.08 0.00 -1.51 0.00 0.00 37.83 35.67 3mka s LYS 134 CO -0.18 0.10 1.40 1.03 -0.36 0.00 0.00 175.35 177.34 3mka s ARG 135 N -0.37 4.31 0.96 4.03 0.52 -1.26 -4.40 118.95 122.74 3mka s ARG 135 Ca -0.00 2.09 -0.13 0.00 -0.52 0.00 0.00 55.73 57.17 3mka s ARG 135 Cb -0.03 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.22 3mka s ARG 135 CO -0.00 -0.45 0.29 -2.30 0.02 0.00 0.00 175.30 172.86 3mka n PRO 136 N 3.95 -0.32 -4.82 3.54 -0.02 -1.26 -4.88 135.00 131.19 3mka n PRO 136 Ca 0.12 -0.06 -0.25 0.00 -2.02 0.00 0.00 63.50 61.29 3mka n PRO 136 Cb 0.42 -1.78 -0.15 0.00 -0.02 0.00 0.00 33.50 31.96 3mka n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3mka s GLU 137 N -3.50 1.39 -0.01 -0.52 2.02 -0.55 -5.00 118.70 112.53 3mka s GLU 137 Ca 0.55 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 54.96 3mka s GLU 137 Cb -0.20 -1.35 -0.00 0.00 0.10 0.00 0.00 34.13 32.68 3mka s GLU 137 CO 0.69 0.37 -0.09 -0.51 0.02 0.00 0.00 175.26 175.74 3mka s LEU 138 N -0.40 1.91 0.03 1.80 1.43 -1.24 -1.55 118.68 120.65 3mka s LEU 138 Ca 0.07 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 3mka s LEU 138 Cb -0.07 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 3mka s LEU 138 CO -0.01 0.09 -0.10 -0.31 0.23 0.00 0.00 176.35 176.26 3mka s TYR 139 N -0.03 0.84 -0.05 0.29 2.02 -0.43 -1.50 117.35 118.48 3mka s TYR 139 Ca 0.01 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 3mka s TYR 139 Cb -0.06 -0.50 -0.00 0.00 -0.40 0.00 0.00 41.96 41.00 3mka s TYR 139 CO -0.00 -0.02 -0.19 0.50 -1.57 0.00 0.00 175.55 174.27 3mka s ARG 140 N -1.05 2.01 -0.13 -0.62 3.52 -0.20 -1.63 118.95 120.84 3mka s ARG 140 Ca -0.03 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 54.93 3mka s ARG 140 Cb -0.07 -1.71 0.01 0.00 -1.56 0.00 0.00 34.95 31.62 3mka s ARG 140 CO 0.01 0.25 -0.20 0.42 -0.81 0.00 0.00 175.30 174.97 3mka s ILE 141 N 0.07 1.86 0.67 4.11 1.09 0.10 -0.24 121.20 128.86 3mka s ILE 141 Ca -0.06 -0.86 -0.08 0.00 -1.10 0.00 0.00 60.65 58.55 3mka s ILE 141 Cb -0.13 -1.66 0.03 0.00 -1.06 0.00 0.00 42.46 39.64 3mka s ILE 141 CO 0.03 0.51 1.00 0.42 -0.10 0.00 0.00 174.94 176.80 3mka s THR 142 N 0.88 3.11 0.48 2.92 -4.23 -0.21 -1.66 115.64 116.93 3mka s THR 142 Ca -0.07 0.04 0.14 0.00 -1.18 0.00 0.00 61.69 60.62 3mka s THR 142 Cb -0.15 -3.30 0.23 0.00 1.34 0.00 0.00 72.50 70.62 3mka s THR 142 CO -0.02 -0.34 2.07 0.10 -0.54 0.00 0.00 174.62 175.90 3mka h TYR 143 N -0.47 0.07 -0.27 3.99 -0.00 -1.83 0.26 116.97 118.71 3mka h TYR 143 Ca -0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.24 3mka h TYR 143 Cb 1.28 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 37.97 3mka h TYR 143 CO 0.43 0.12 0.02 0.22 -0.00 0.00 0.00 178.16 178.94 3mka h ASP 144 N 0.07 0.36 0.00 0.10 3.58 -1.89 -3.41 116.42 115.24 3mka h ASP 144 Ca 0.02 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3mka h ASP 144 Cb 0.12 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3mka h ASP 144 CO 0.01 0.41 0.00 0.61 -2.88 0.00 0.00 179.24 177.39 3mka n GLY 145 N -1.06 0.67 3.77 -0.78 0.00 0.91 -4.03 105.19 104.66 3mka n GLY 145 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.30 5.98 -0.02 1.61 0.01 -1.26 -4.60 113.70 113.12 3mka s SER 146 Ca 0.00 2.34 0.06 0.00 1.31 0.00 0.00 55.95 59.65 3mka s SER 146 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 3mka s SER 146 CO 0.00 -1.05 -0.19 -0.51 0.41 0.00 0.00 173.24 171.90 3mka s ILE 147 N -1.56 1.51 -0.02 1.44 2.07 -1.26 -1.04 121.20 122.34 3mka s ILE 147 Ca 0.66 -0.80 0.05 0.00 -1.41 0.00 0.00 60.65 59.14 3mka s ILE 147 Cb -0.29 -1.27 -0.01 0.00 0.13 0.00 0.00 42.46 41.02 3mka s ILE 147 CO 0.35 0.43 -0.16 0.00 -1.91 0.00 0.00 174.94 173.65 3mka s ALA 148 N -0.33 1.37 -0.73 1.50 0.00 0.67 -4.96 121.76 119.28 3mka s ALA 148 Ca 0.04 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 3mka s ALA 148 Cb -0.09 -0.39 0.14 0.00 0.00 0.00 0.00 23.12 22.78 3mka s ALA 148 CO 0.00 0.30 0.82 0.34 0.00 0.00 0.00 175.76 177.23 3mka s ASP 149 N -0.22 6.42 -0.20 0.00 -1.08 -1.26 -1.03 116.67 119.30 3mka s ASP 149 Ca 0.03 -1.86 -0.19 0.00 -0.52 0.00 0.00 52.55 50.01 3mka s ASP 149 Cb -0.08 -2.31 -0.03 0.00 -1.46 0.00 0.00 42.92 39.04 3mka s ASP 149 CO 0.00 -0.99 0.55 -1.61 0.52 0.00 0.00 175.17 173.64 3mka s GLU 150 N 2.14 4.20 0.20 4.34 0.41 -0.56 -5.00 118.70 124.43 3mka s GLU 150 Ca 0.18 0.47 -0.05 0.00 -0.41 0.00 0.00 54.97 55.16 3mka s GLU 150 Cb -0.16 -3.56 0.15 0.00 -1.78 0.00 0.00 34.13 28.77 3mka s GLU 150 CO -0.01 -0.16 1.59 -1.35 -0.49 0.00 0.00 175.26 174.83 3mka h PRO 151 N 7.44 0.75 0.00 0.39 0.11 -1.96 -3.30 132.00 135.43 3mka h PRO 151 Ca -0.33 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.43 3mka h PRO 151 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3mka h PRO 151 CO 0.75 0.96 -0.75 0.72 -0.21 0.00 0.00 178.00 179.47 3mka n HIS 152 N -4.08 0.00 -3.63 0.65 8.25 -1.26 -4.85 115.22 110.30 3mka n HIS 152 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 3mka n HIS 152 Cb 0.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 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 -1.75 -0.27 0.01 4.41 -0.12 -1.26 0.13 117.98 119.13 3mka s PHE 153 Ca 0.00 -0.03 0.02 0.00 -0.05 0.00 0.00 56.93 56.87 3mka s PHE 153 Cb 0.00 0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 3mka s PHE 153 CO 0.00 -0.88 -0.05 0.08 -0.05 0.00 0.00 175.22 174.32 3mka s VAL 154 N -3.82 0.40 -0.04 -2.49 1.01 0.25 -4.89 120.40 110.81 3mka s VAL 154 Ca 0.05 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3mka s VAL 154 Cb -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 36.00 3mka s VAL 154 CO -0.07 -0.04 -0.08 -0.69 0.00 0.00 0.00 175.10 174.22 3mka s VAL 155 N -0.47 0.79 0.04 2.92 1.01 -1.26 -0.65 120.40 122.77 3mka s VAL 155 Ca -0.02 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 3mka s VAL 155 Cb -0.04 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.62 3mka s VAL 155 CO -0.00 0.26 0.25 -0.04 0.00 0.00 0.00 175.10 175.57 3mka s MET 156 N 0.48 0.73 0.00 2.72 -1.94 -0.41 -5.02 119.30 115.86 3mka s MET 156 Ca -0.08 -0.53 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 3mka s MET 156 Cb -0.12 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.04 3mka s MET 156 CO 0.01 -0.22 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 3mka n GLY 157 N 0.71 0.61 7.00 -0.03 0.00 -1.26 -0.36 105.19 111.87 3mka n GLY 157 Ca -0.19 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 1.04 2.40 3.49 -0.02 0.00 -0.35 -4.25 105.19 107.50 3mka n GLY 158 Ca 0.00 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 5.11 -0.17 2.61 -4.23 -1.26 -4.25 115.64 113.46 3mka s THR 159 Ca 0.00 -0.34 -0.20 0.00 -1.18 0.00 0.00 61.69 59.97 3mka s THR 159 Cb 0.00 -4.01 -0.23 0.00 1.34 0.00 0.00 72.50 69.60 3mka s THR 159 CO 0.00 -0.39 0.39 0.71 -0.54 0.00 0.00 174.62 174.79 3mka h THR 160 N 5.70 1.05 -0.69 3.99 1.35 -1.97 -3.41 112.91 118.94 3mka h THR 160 Ca -0.27 -2.27 0.13 0.00 -0.55 0.00 0.00 66.41 63.46 3mka h THR 160 Cb 1.11 2.53 -0.13 0.00 -1.73 0.00 0.00 68.15 69.94 3mka h THR 160 CO 0.78 0.49 -0.20 -0.62 -0.25 0.00 0.00 175.52 175.73 3mka n GLU 161 N -4.27 -0.09 0.24 4.72 4.71 -1.26 0.20 120.64 124.90 3mka n GLU 161 Ca -0.27 1.07 -0.16 0.00 -0.01 0.00 0.00 57.16 57.79 3mka n GLU 161 Cb 0.73 -1.59 -0.08 0.00 -1.01 0.00 0.00 31.44 29.49 3mka n GLU 161 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3mka h PRO 162 N 0.00 -0.67 -0.65 3.49 0.13 -1.94 0.31 132.00 132.67 3mka h PRO 162 Ca 0.31 0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.53 3mka h PRO 162 Cb 0.48 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 3mka h PRO 162 CO -0.70 -0.45 0.38 0.82 -0.23 0.00 0.00 178.00 177.82 3mka h ILE 163 N -0.70 1.02 0.20 -3.56 2.04 -0.83 0.14 117.51 115.81 3mka h ILE 163 Ca -0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3mka h ILE 163 Cb 0.60 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3mka h ILE 163 CO -0.00 0.13 -0.11 0.00 0.00 0.00 0.00 178.15 178.17 3mka h ALA 164 N 1.31 -0.28 -0.49 1.87 0.00 -0.06 -2.09 119.26 119.54 3mka h ALA 164 Ca 0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3mka h ALA 164 Cb 0.11 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3mka h ALA 164 CO -0.15 -0.66 -0.02 -0.91 0.00 0.00 0.00 179.25 177.52 3mka h ASN 165 N -0.28 0.86 -0.51 0.00 2.35 -0.69 0.43 115.58 117.74 3mka h ASN 165 Ca -0.02 -0.32 0.08 0.00 -0.55 0.00 0.00 56.30 55.49 3mka h ASN 165 Cb 0.23 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 3mka h ASN 165 CO 0.03 0.97 0.16 0.00 -1.65 0.00 0.00 177.43 176.95 3mka h ALA 166 N 0.92 0.62 -0.42 -0.83 0.00 -0.63 0.28 119.26 119.21 3mka h ALA 166 Ca 0.14 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3mka h ALA 166 Cb 0.54 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3mka h ALA 166 CO 0.03 -0.24 -0.10 -0.07 0.00 0.00 0.00 179.25 178.87 3mka h LEU 167 N 0.33 0.81 -0.98 0.00 3.38 -1.18 -2.37 115.31 115.31 3mka h LEU 167 Ca 0.25 -0.36 0.15 0.00 0.09 0.00 0.00 57.88 58.01 3mka h LEU 167 Cb 0.29 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 3mka h LEU 167 CO -0.27 0.98 0.59 0.50 0.09 0.00 0.00 178.44 180.33 3mka h LYS 168 N 0.63 0.84 -0.69 1.13 3.64 0.59 0.57 116.57 123.27 3mka h LYS 168 Ca 0.11 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3mka h LYS 168 Cb 0.63 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3mka h LYS 168 CO 0.04 0.56 0.20 0.93 -2.27 0.00 0.00 179.45 178.90 3mka h GLU 169 N 0.86 1.08 -0.10 1.90 4.39 -0.15 -3.34 114.58 119.22 3mka h GLU 169 Ca 0.52 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3mka h GLU 169 Cb 0.64 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3mka h GLU 169 CO -0.32 0.93 0.00 -1.13 -1.16 0.00 0.00 179.01 177.34 3mka n SER 170 N -4.25 2.05 -4.74 1.42 3.41 -0.41 -5.05 113.62 106.05 3mka n SER 170 Ca 0.05 -1.69 -0.42 0.00 -0.26 0.00 0.00 58.87 56.56 3mka n SER 170 Cb 0.24 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.78 2.99 -0.07 7.33 5.04 0.19 -5.00 117.35 127.04 3mka s TYR 171 Ca 0.09 0.86 0.02 0.00 -2.44 0.00 0.00 57.07 55.60 3mka s TYR 171 Cb 0.05 -3.89 0.02 0.00 0.35 0.00 0.00 41.96 38.49 3mka s TYR 171 CO 0.07 -3.05 -0.11 0.00 -1.34 0.00 0.00 175.55 171.12 3mka s ALA 172 N 0.35 1.27 0.42 3.97 0.00 -1.26 -5.05 121.76 121.46 3mka s ALA 172 Ca 0.63 -0.44 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 3mka s ALA 172 Cb -0.43 -0.63 -0.08 0.00 0.00 0.00 0.00 23.12 21.98 3mka s ALA 172 CO 0.40 0.02 1.22 -1.21 0.00 0.00 0.00 175.76 176.19 3mka s GLU 173 N 0.85 3.91 -1.60 0.00 2.02 -1.26 -3.27 118.70 119.35 3mka s GLU 173 Ca -0.11 1.94 -0.03 0.00 0.02 0.00 0.00 54.97 56.79 3mka s GLU 173 Cb -0.15 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.46 3mka s GLU 173 CO 0.01 -0.47 0.36 0.09 0.02 0.00 0.00 175.26 175.27 3mka n ASN 174 N -0.09 -5.93 -4.78 -0.19 3.02 -1.26 -4.93 115.26 101.09 3mka n ASN 174 Ca 0.05 -0.18 -0.36 0.00 -0.03 0.00 0.00 54.58 54.07 3mka n ASN 174 Cb 0.46 -4.83 -0.01 0.00 -0.61 0.00 0.00 39.78 34.79 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 -3.11 2.83 0.75 5.41 0.00 -1.20 -4.38 121.76 122.05 3mka s ALA 175 Ca 0.18 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.82 3mka s ALA 175 Cb -0.08 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.75 3mka s ALA 175 CO 0.22 -0.63 1.15 -1.54 0.00 0.00 0.00 175.76 174.96 3mka s SER 176 N -1.67 4.28 0.17 0.00 1.04 -1.26 -2.97 113.70 113.29 3mka s SER 176 Ca 0.68 2.13 -0.14 0.00 0.48 0.00 0.00 55.95 59.10 3mka s SER 176 Cb -0.24 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.38 3mka s SER 176 CO 0.28 -2.19 1.83 0.25 0.98 0.00 0.00 173.24 174.39 3mka h LEU 177 N -0.63 0.62 -0.64 2.42 5.85 -1.99 -0.30 115.31 120.64 3mka h LEU 177 Ca -0.46 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 3mka h LEU 177 Cb 1.27 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3mka h LEU 177 CO 0.50 0.46 0.31 0.74 -0.34 0.00 0.00 178.44 180.11 3mka h THR 178 N 0.72 1.22 -0.63 1.05 2.02 -1.92 -0.05 112.91 115.32 3mka h THR 178 Ca 0.19 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 3mka h THR 178 Cb -0.07 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 3mka h THR 178 CO -0.04 0.25 0.26 -0.78 0.37 0.00 0.00 175.52 175.58 3mka h ASP 179 N 0.87 0.87 -0.72 4.18 1.82 -1.86 -0.89 116.42 120.69 3mka h ASP 179 Ca 0.22 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 3mka h ASP 179 Cb 0.10 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 39.86 3mka h ASP 179 CO -0.03 0.79 0.34 0.00 -1.61 0.00 0.00 179.24 178.74 3mka h ALA 180 N 1.11 0.93 -0.50 -0.78 0.00 -0.65 -0.68 119.26 118.68 3mka h ALA 180 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 180 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3mka h ALA 180 CO -0.02 0.50 0.29 1.25 0.00 0.00 0.00 179.25 181.26 3mka h LEU 181 N 1.01 0.62 -0.58 0.00 5.85 -0.52 0.10 115.31 121.79 3mka h LEU 181 Ca 0.25 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3mka h LEU 181 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3mka h LEU 181 CO -0.03 0.52 0.26 0.03 -0.34 0.00 0.00 178.44 178.88 3mka h ARG 182 N 0.67 0.84 -0.72 1.25 3.08 -0.72 -0.47 114.38 118.31 3mka h ARG 182 Ca 0.18 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3mka h ARG 182 Cb 0.03 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3mka h ARG 182 CO -0.03 0.69 0.40 0.82 -1.07 0.00 0.00 179.97 180.78 3mka h ILE 183 N 0.79 1.22 -0.53 2.04 2.04 -0.74 -0.99 117.51 121.33 3mka h ILE 183 Ca 0.20 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3mka h ILE 183 Cb 0.14 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3mka h ILE 183 CO -0.02 0.24 0.26 0.00 0.00 0.00 0.00 178.15 178.63 3mka h ALA 184 N 1.20 0.68 -0.62 1.87 0.00 -0.55 -0.33 119.26 121.51 3mka h ALA 184 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3mka h ALA 184 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3mka h ALA 184 CO -0.04 0.24 0.34 0.28 0.00 0.00 0.00 179.25 180.07 3mka h VAL 185 N 0.71 1.20 -0.42 0.00 2.07 -0.66 0.11 116.25 119.25 3mka h VAL 185 Ca 0.18 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3mka h VAL 185 Cb 0.11 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3mka h VAL 185 CO -0.02 0.22 0.23 0.00 0.02 0.00 0.00 177.57 178.01 3mka h ALA 186 N 1.16 0.54 -0.77 1.67 0.00 -0.77 0.33 119.26 121.42 3mka h ALA 186 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3mka h ALA 186 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3mka h ALA 186 CO -0.03 0.07 0.40 0.00 0.00 0.00 0.00 179.25 179.69 3mka h ALA 187 N 1.08 1.25 -0.74 0.00 0.00 -0.69 -1.72 119.26 118.45 3mka h ALA 187 Ca 0.15 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3mka h ALA 187 Cb 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3mka h ALA 187 CO -0.02 0.59 0.22 1.25 0.00 0.00 0.00 179.25 181.29 3mka h LEU 188 N 1.08 1.08 -0.94 0.00 5.85 -0.03 -2.83 115.31 119.52 3mka h LEU 188 Ca 0.27 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3mka h LEU 188 Cb 0.06 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3mka h LEU 188 CO -0.04 1.00 0.35 0.03 -0.34 0.00 0.00 178.44 179.44 3mka h ARG 189 N 1.10 1.12 -0.80 1.25 3.08 0.50 -1.63 114.38 118.99 3mka h ARG 189 Ca 0.24 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3mka h ARG 189 Cb 0.32 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3mka h ARG 189 CO -0.01 0.87 0.47 0.00 -1.07 0.00 0.00 179.97 180.23 3mka h ALA 190 N 1.28 1.02 -0.74 0.04 0.00 -1.15 -2.14 119.26 117.56 3mka h ALA 190 Ca 0.26 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3mka h ALA 190 Cb 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3mka h ALA 190 CO -0.03 0.50 0.24 0.78 0.00 0.00 0.00 179.25 180.74 3mka h GLY 191 N 1.10 1.23 0.00 0.00 0.00 -1.28 -3.45 103.07 100.66 3mka h GLY 191 Ca 0.28 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mka h GLY 191 CO -0.05 0.67 0.00 -1.26 0.00 0.00 0.00 176.54 175.90 3mka n SER 192 N -4.27 0.00 0.00 0.19 2.88 -0.66 -4.83 113.62 106.93 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 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 3mka n SER 192 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mka n GLY 204 N 0.00 2.92 0.16 0.46 0.00 -1.26 -5.04 105.19 102.42 3mka n GLY 204 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 1.13 0.00 1.61 2.07 -1.97 0.24 116.25 119.32 3mka h VAL 205 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3mka h VAL 205 Cb 0.00 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3mka h VAL 205 CO 0.00 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.72 3mka n ALA 206 N -2.23 1.63 -0.53 1.67 0.00 -1.26 -0.98 120.51 118.81 3mka n ALA 206 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.55 3mka n ALA 206 Cb 0.07 -1.34 0.22 0.00 0.00 0.00 0.00 19.45 18.40 3mka n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mka n SER 207 N -2.03 3.57 -4.43 0.00 3.41 -0.14 -4.84 113.62 109.15 3mka n SER 207 Ca 0.02 -2.42 -0.29 0.00 -0.26 0.00 0.00 58.87 55.92 3mka n SER 207 Cb 0.21 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.76 2.46 -0.18 1.04 1.02 0.65 -2.25 118.68 119.66 3mka s LEU 208 Ca 0.34 -0.70 0.01 0.00 0.02 0.00 0.00 54.13 53.80 3mka s LEU 208 Cb 0.23 -1.32 0.03 0.00 0.02 0.00 0.00 46.19 45.15 3mka s LEU 208 CO 0.15 0.17 -0.15 -0.70 0.02 0.00 0.00 176.35 175.84 3mka s GLU 209 N -2.17 2.46 0.01 1.70 2.12 -0.16 -4.82 118.70 117.84 3mka s GLU 209 Ca 0.16 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.72 3mka s GLU 209 Cb -0.10 -2.43 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 3mka s GLU 209 CO 0.08 -0.31 -0.13 0.08 -0.54 0.00 0.00 175.26 174.44 3mka s VAL 210 N 1.36 1.00 0.12 3.70 1.01 -1.26 -1.35 120.40 124.98 3mka s VAL 210 Ca 0.02 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 3mka s VAL 210 Cb -0.15 -0.87 0.08 0.00 0.00 0.00 0.00 36.38 35.44 3mka s VAL 210 CO -0.10 0.15 0.67 0.00 0.00 0.00 0.00 175.10 175.82 3mka s ALA 211 N -0.53 -1.65 0.12 5.51 0.00 -0.79 -1.29 121.76 123.13 3mka s ALA 211 Ca 0.03 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3mka s ALA 211 Cb -0.06 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 3mka s ALA 211 CO 0.00 -0.76 -0.07 0.14 0.00 0.00 0.00 175.76 175.08 3mka s VAL 212 N -3.60 0.86 -0.27 0.00 -7.23 0.11 -0.50 120.40 109.76 3mka s VAL 212 Ca 0.02 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 3mka s VAL 212 Cb -0.01 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 3mka s VAL 212 CO -0.12 -0.79 0.08 -0.76 -0.31 0.00 0.00 175.10 173.20 3mka s LEU 213 N -3.10 3.64 -0.21 1.32 1.43 -0.32 -0.64 118.68 120.80 3mka s LEU 213 Ca 0.15 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 3mka s LEU 213 Cb 0.04 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3mka s LEU 213 CO -0.02 -0.11 -0.04 -0.62 0.23 0.00 0.00 176.35 175.78 3mka s ASP 214 N 1.56 4.33 0.31 2.29 2.15 0.28 -2.68 116.67 124.91 3mka s ASP 214 Ca 0.05 -0.37 0.02 0.00 0.43 0.00 0.00 52.55 52.68 3mka s ASP 214 Cb -0.16 -1.74 0.52 0.00 -0.30 0.00 0.00 42.92 41.24 3mka s ASP 214 CO 0.03 -0.00 1.86 0.00 -0.17 0.00 0.00 175.17 176.89 3mka h ALA 215 N 7.97 1.32 -0.65 3.66 0.00 -1.82 -2.86 119.26 126.87 3mka h ALA 215 Ca -0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3mka h ALA 215 Cb 1.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3mka h ALA 215 CO 0.60 0.48 0.42 -0.97 0.00 0.00 0.00 179.25 179.78 3mka h ASN 216 N 0.65 0.76 -3.90 0.00 -0.73 -1.93 -3.38 115.58 107.05 3mka h ASN 216 Ca 0.14 -0.02 -0.54 0.00 1.87 0.00 0.00 56.30 57.75 3mka h ASN 216 Cb 0.29 -0.19 0.10 0.00 0.27 0.00 0.00 38.32 38.79 3mka h ASN 216 CO 0.00 0.56 0.76 -0.13 -0.37 0.00 0.00 177.43 178.25 3mka s ARG 217 N -5.73 4.15 0.14 6.67 1.81 -1.08 -4.94 118.95 119.97 3mka s ARG 217 Ca -0.10 2.52 -0.16 0.00 -1.72 0.00 0.00 55.73 56.27 3mka s ARG 217 Cb 0.18 -2.99 0.01 0.00 -0.45 0.00 0.00 34.95 31.69 3mka s ARG 217 CO 0.77 -0.49 1.71 -1.00 -0.68 0.00 0.00 175.30 175.61 3mka h PRO 218 N 3.17 0.60 0.00 3.54 0.13 -1.88 -3.40 132.00 134.16 3mka h PRO 218 Ca -0.50 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3mka h PRO 218 Cb 1.24 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3mka h PRO 218 CO 0.65 0.53 -0.22 -2.13 -0.23 0.00 0.00 178.00 176.60 3mka n ARG 219 N -4.67 0.00 -3.17 0.86 0.63 -1.26 -4.40 116.66 104.65 3mka n ARG 219 Ca 0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.50 3mka n ARG 219 Cb 0.12 -0.39 -0.06 0.00 0.45 0.00 0.00 32.46 32.57 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 -2.00 3.13 0.22 -0.14 0.52 -1.26 -4.46 118.95 114.97 3mka s ARG 220 Ca 0.00 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.31 3mka s ARG 220 Cb 0.00 -4.08 0.19 0.00 0.52 0.00 0.00 34.95 31.58 3mka s ARG 220 CO 0.00 -1.17 1.74 0.00 0.02 0.00 0.00 175.30 175.88 3mka h ALA 221 N 8.96 1.01 -2.77 2.13 0.00 -1.13 -3.45 119.26 124.00 3mka h ALA 221 Ca -0.27 -0.25 -0.53 0.00 0.00 0.00 0.00 54.91 53.86 3mka h ALA 221 Cb 1.10 -0.26 0.07 0.00 0.00 0.00 0.00 17.79 18.70 3mka h ALA 221 CO 0.95 0.64 0.82 0.12 0.00 0.00 0.00 179.25 181.78 3mka s PHE 222 N -5.26 2.89 -0.19 0.00 5.36 -1.25 0.98 117.98 120.52 3mka s PHE 222 Ca -0.11 0.90 -0.12 0.00 -0.96 0.00 0.00 56.93 56.64 3mka s PHE 222 Cb 0.15 -3.94 0.06 0.00 -0.34 0.00 0.00 43.02 38.95 3mka s PHE 222 CO 0.84 -3.12 0.47 1.03 -1.46 0.00 0.00 175.22 172.97 3mka s ARG 223 N -0.42 0.48 -0.15 10.12 0.52 0.18 -4.92 118.95 124.77 3mka s ARG 223 Ca 0.61 0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 56.46 3mka s ARG 223 Cb -0.45 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.06 3mka s ARG 223 CO 0.45 -0.13 0.45 1.03 0.02 0.00 0.00 175.30 177.13 3mka s ARG 224 N 1.12 4.28 -0.43 3.54 0.52 -1.26 0.08 118.95 126.79 3mka s ARG 224 Ca -0.07 0.37 -0.16 0.00 -0.52 0.00 0.00 55.73 55.34 3mka s ARG 224 Cb -0.07 -3.48 0.03 0.00 0.52 0.00 0.00 34.95 31.96 3mka s ARG 224 CO -0.10 0.07 0.39 0.42 0.02 0.00 0.00 175.30 176.10 3mka s ILE 225 N 0.93 5.16 0.21 1.52 1.01 -0.41 -4.96 121.20 124.66 3mka s ILE 225 Ca 0.24 -0.60 0.09 0.00 0.00 0.00 0.00 60.65 60.37 3mka s ILE 225 Cb -0.15 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 3mka s ILE 225 CO 0.09 -0.44 -0.16 0.28 0.00 0.00 0.00 174.94 174.71 3mka s THR 226 N 1.91 1.87 0.00 2.92 -1.32 -1.26 -4.33 115.64 115.44 3mka s THR 226 Ca 0.08 -2.20 0.00 0.00 -1.21 0.00 0.00 61.69 58.37 3mka s THR 226 Cb -0.19 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 3mka s THR 226 CO 0.11 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.61 3mka n GLY 227 N -0.31 2.64 0.41 6.08 0.00 -1.26 -2.76 105.19 109.99 3mka n GLY 227 Ca -0.08 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.91 -0.50 1.61 0.02 -1.98 0.16 113.55 110.94 3mka h SER 228 Ca 0.00 0.31 0.09 0.00 -0.84 0.00 0.00 61.79 61.34 3mka h SER 228 Cb 0.00 0.87 -0.07 0.00 0.14 0.00 0.00 62.40 63.34 3mka h SER 228 CO 0.00 -0.27 0.10 0.00 -1.14 0.00 0.00 176.83 175.52 3mka h ALA 229 N 0.64 0.57 -0.59 3.77 0.00 -1.93 0.23 119.26 121.94 3mka h ALA 229 Ca 0.19 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3mka h ALA 229 Cb 0.49 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3mka h ALA 229 CO -0.89 -0.31 0.22 1.25 0.00 0.00 0.00 179.25 179.53 3mka h LEU 230 N 0.24 0.83 -0.81 0.00 5.85 -1.09 -1.26 115.31 119.07 3mka h LEU 230 Ca 0.25 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3mka h LEU 230 Cb 0.34 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3mka h LEU 230 CO -0.33 0.79 0.33 -0.61 -0.34 0.00 0.00 178.44 178.28 3mka h GLN 231 N 0.82 1.20 -0.59 1.25 4.15 -0.02 -2.27 115.11 119.66 3mka h GLN 231 Ca 0.19 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 3mka h GLN 231 Cb 0.23 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 3mka h GLN 231 CO -0.01 0.97 0.26 0.00 -1.93 0.00 0.00 178.83 178.11 3mka h ALA 232 N 1.18 1.35 -0.63 3.38 0.00 -0.19 -2.92 119.26 121.44 3mka h ALA 232 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mka h ALA 232 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3mka h ALA 232 CO -0.02 0.50 0.39 -0.07 0.00 0.00 0.00 179.25 180.05 3mka h LEU 233 N 0.83 0.74 -0.56 0.00 3.38 -0.63 -2.76 115.31 116.32 3mka h LEU 233 Ca 0.20 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3mka h LEU 233 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3mka h LEU 233 CO -0.02 0.56 0.11 0.25 0.09 0.00 0.00 178.44 179.43 3mka h LEU 234 N 0.85 0.87 0.00 1.67 7.12 -1.46 -3.48 115.31 120.88 3mka h LEU 234 Ca 0.23 -0.25 0.00 0.00 0.13 0.00 0.00 57.88 57.99 3mka h LEU 234 Cb -0.05 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 39.85 3mka h LEU 234 CO -0.05 0.90 0.00 0.52 -0.13 0.00 0.00 178.44 179.68