#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s SER 8 N 0.00 6.01 0.17 4.38 1.04 -1.26 -4.99 113.70 119.05 3mka s SER 8 Ca 0.00 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 3mka s SER 8 Cb 0.00 -2.12 0.07 0.00 0.10 0.00 0.00 66.02 64.07 3mka s SER 8 CO 0.00 -0.20 1.68 1.55 0.98 0.00 0.00 173.24 177.26 3mka h PRO 9 N 8.46 0.96 -0.43 4.02 0.13 -2.05 -1.15 132.00 141.95 3mka h PRO 9 Ca -0.32 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 3mka h PRO 9 Cb 1.16 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 3mka h PRO 9 CO 0.62 0.89 0.23 0.93 -0.23 0.00 0.00 178.00 180.43 3mka h GLU 10 N 0.87 0.60 -0.50 0.86 5.08 -1.99 0.30 114.58 119.80 3mka h GLU 10 Ca 0.19 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3mka h GLU 10 Cb 0.36 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3mka h GLU 10 CO 0.00 0.48 0.18 0.37 -1.00 0.00 0.00 179.01 179.05 3mka h GLN 11 N 0.56 0.76 -0.68 2.33 4.15 -1.98 -0.84 115.11 119.41 3mka h GLN 11 Ca 0.15 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3mka h GLN 11 Cb 0.06 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3mka h GLN 11 CO -0.02 0.69 0.32 0.00 -1.93 0.00 0.00 178.83 177.88 3mka h ALA 12 N 1.04 0.87 -0.41 3.38 0.00 -0.79 -1.07 119.26 122.28 3mka h ALA 12 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mka h ALA 12 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3mka h ALA 12 CO -0.01 0.44 0.22 0.52 0.00 0.00 0.00 179.25 180.43 3mka h MET 13 N 0.94 0.57 -0.43 0.00 2.86 -0.55 -1.00 114.93 117.32 3mka h MET 13 Ca 0.23 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3mka h MET 13 Cb 0.13 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3mka h MET 13 CO -0.03 0.45 0.21 0.00 1.06 0.00 0.00 176.91 178.61 3mka h ARG 14 N 0.53 0.62 -0.43 1.72 3.08 -0.68 -0.49 114.38 118.72 3mka h ARG 14 Ca 0.14 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3mka h ARG 14 Cb 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3mka h ARG 14 CO -0.02 0.53 0.27 0.93 -1.07 0.00 0.00 179.97 180.60 3mka h GLU 15 N 0.56 0.58 -0.52 0.04 4.39 -0.71 -0.62 114.58 118.30 3mka h GLU 15 Ca 0.15 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3mka h GLU 15 Cb 0.11 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3mka h GLU 15 CO -0.02 0.41 0.24 0.00 -1.16 0.00 0.00 179.01 178.48 3mka h ARG 16 N 0.58 0.75 -0.53 2.33 3.08 -0.81 -0.65 114.38 119.13 3mka h ARG 16 Ca 0.16 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3mka h ARG 16 Cb -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3mka h ARG 16 CO -0.03 0.64 0.23 1.03 -1.07 0.00 0.00 179.97 180.77 3mka h SER 17 N 0.69 0.71 -0.43 7.04 0.87 -0.70 -0.70 113.55 121.03 3mka h SER 17 Ca 0.18 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3mka h SER 17 Cb 0.14 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3mka h SER 17 CO -0.02 0.67 0.26 -0.33 -0.53 0.00 0.00 176.83 176.88 3mka h GLU 18 N 0.71 0.59 -0.47 2.24 4.39 -0.67 -0.64 114.58 120.73 3mka h GLU 18 Ca 0.18 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3mka h GLU 18 Cb 0.16 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3mka h GLU 18 CO -0.02 0.43 0.26 1.25 -1.16 0.00 0.00 179.01 179.77 3mka h LEU 19 N 0.57 0.59 -0.52 1.33 6.46 -0.67 -0.12 115.31 122.95 3mka h LEU 19 Ca 0.16 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 3mka h LEU 19 Cb -0.01 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 3mka h LEU 19 CO -0.03 0.51 0.17 0.00 -0.62 0.00 0.00 178.44 178.47 3mka h ALA 20 N 1.10 0.69 -0.79 1.25 0.00 -0.74 -1.04 119.26 119.73 3mka h ALA 20 Ca 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3mka h ALA 20 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3mka h ALA 20 CO -0.03 0.34 0.41 -0.09 0.00 0.00 0.00 179.25 179.88 3mka h ARG 21 N 0.72 1.11 -0.46 0.00 2.43 -0.67 -1.97 114.38 115.54 3mka h ARG 21 Ca 0.17 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3mka h ARG 21 Cb 0.27 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3mka h ARG 21 CO -0.01 0.84 0.13 0.87 -1.51 0.00 0.00 179.97 180.29 3mka h LYS 22 N 1.10 0.72 -0.77 0.20 1.57 -0.61 -0.10 116.57 118.67 3mka h LYS 22 Ca 0.27 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3mka h LYS 22 Cb 0.07 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 3mka h LYS 22 CO -0.04 0.70 0.40 0.78 -0.57 0.00 0.00 179.45 180.72 3mka h GLY 23 N 0.60 1.17 0.71 3.86 0.00 -0.74 -2.30 103.07 106.37 3mka h GLY 23 Ca 0.15 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3mka h GLY 23 CO -0.00 0.53 -0.22 -2.22 0.00 0.00 0.00 176.54 174.62 3mka h ILE 24 N 1.07 0.45 -1.26 2.60 2.04 -1.26 -3.03 117.51 118.13 3mka h ILE 24 Ca 0.27 -0.44 0.37 0.00 1.00 0.00 0.00 64.86 66.05 3mka h ILE 24 Cb 0.07 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 36.69 3mka h ILE 24 CO -0.04 0.07 0.85 0.00 0.00 0.00 0.00 178.15 179.03 3mka h ALA 25 N -0.55 2.80 -0.25 1.87 0.00 -0.84 0.15 119.26 122.45 3mka h ALA 25 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mka h ALA 25 Cb 0.58 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3mka h ALA 25 CO 0.10 -1.26 0.00 -2.13 0.00 0.00 0.00 179.25 175.96 3mka n ARG 26 N -4.45 1.85 -4.29 0.00 0.63 -0.88 -3.50 116.66 106.03 3mka n ARG 26 Ca 0.31 -1.02 -0.25 0.00 -0.92 0.00 0.00 57.85 55.97 3mka n ARG 26 Cb 1.26 -1.38 -0.08 0.00 0.45 0.00 0.00 32.46 32.71 3mka n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mka s ALA 27 N -1.64 3.05 0.84 5.13 0.00 0.48 -4.86 121.76 124.76 3mka s ALA 27 Ca 0.18 -1.54 -0.14 0.00 0.00 0.00 0.00 51.96 50.47 3mka s ALA 27 Cb 0.11 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.50 3mka s ALA 27 CO 0.10 0.39 0.70 1.63 0.00 0.00 0.00 175.76 178.58 3mka n LYS 28 N -0.34 0.01 -4.12 0.00 5.02 -1.26 0.11 118.16 117.58 3mka n LYS 28 Ca -0.09 0.06 -0.27 0.00 -2.02 0.00 0.00 58.31 55.99 3mka n LYS 28 Cb 0.57 -2.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 3mka n LYS 28 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3mka s SER 29 N -1.91 5.29 0.01 4.39 0.01 -1.26 -3.96 113.70 116.27 3mka s SER 29 Ca 0.64 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.72 3mka s SER 29 Cb -0.28 -1.31 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 3mka s SER 29 CO 0.60 0.08 -0.04 -0.69 0.41 0.00 0.00 173.24 173.60 3mka s VAL 30 N -1.71 0.30 0.05 3.43 1.01 0.87 -1.50 120.40 122.85 3mka s VAL 30 Ca 0.30 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3mka s VAL 30 Cb -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3mka s VAL 30 CO 0.22 -0.16 -0.11 0.68 0.00 0.00 0.00 175.10 175.73 3mka s VAL 31 N -0.69 0.85 -0.02 2.92 -7.23 0.10 -1.07 120.40 115.25 3mka s VAL 31 Ca -0.05 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 3mka s VAL 31 Cb -0.05 -0.83 0.02 0.00 0.56 0.00 0.00 36.38 36.08 3mka s VAL 31 CO -0.00 -0.21 -0.00 0.00 -0.31 0.00 0.00 175.10 174.57 3mka s ALA 32 N -1.15 0.28 -0.01 1.32 0.00 0.00 -0.98 121.76 121.22 3mka s ALA 32 Ca -0.04 0.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 3mka s ALA 32 Cb -0.09 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3mka s ALA 32 CO 0.01 -0.05 0.15 -0.48 0.00 0.00 0.00 175.76 175.39 3mka s LEU 33 N 0.85 1.49 0.48 0.00 0.05 -0.59 0.07 118.68 121.03 3mka s LEU 33 Ca -0.08 -0.07 -0.22 0.00 0.05 0.00 0.00 54.13 53.81 3mka s LEU 33 Cb -0.12 0.66 -0.07 0.00 -2.05 0.00 0.00 46.19 44.62 3mka s LEU 33 CO -0.02 -0.30 1.13 0.00 -0.55 0.00 0.00 176.35 176.62 3mka s ALA 34 N -1.02 2.89 0.28 1.48 0.00 0.25 -1.87 121.76 123.77 3mka s ALA 34 Ca -0.11 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 3mka s ALA 34 Cb -0.06 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3mka s ALA 34 CO 0.01 -0.62 0.63 1.52 0.00 0.00 0.00 175.76 177.30 3mka s TYR 35 N -1.66 0.11 0.28 0.00 -0.85 0.24 -4.76 117.35 110.71 3mka s TYR 35 Ca 0.66 -0.55 -0.04 0.00 -0.52 0.00 0.00 57.07 56.62 3mka s TYR 35 Cb -0.26 0.50 0.36 0.00 0.38 0.00 0.00 41.96 42.94 3mka s TYR 35 CO 0.30 -1.19 1.95 0.00 -1.52 0.00 0.00 175.55 175.09 3mka h ALA 36 N 2.10 1.34 0.00 9.51 0.00 -1.71 0.96 119.26 131.47 3mka h ALA 36 Ca -0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3mka h ALA 36 Cb 1.25 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3mka h ALA 36 CO 0.30 0.60 -0.16 0.78 0.00 0.00 0.00 179.25 180.77 3mka h GLY 37 N 1.22 0.00 0.00 0.00 0.00 -1.93 -3.49 103.07 98.86 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 -0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.08 3mka n GLY 38 N -0.91 0.86 3.27 4.60 0.00 0.33 -2.99 105.19 110.35 3mka n GLY 38 Ca -0.02 -0.84 -0.32 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 2.25 -0.09 1.61 1.01 -1.07 0.81 120.40 124.92 3mka s VAL 39 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3mka s VAL 39 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3mka s VAL 39 CO 0.00 0.56 -0.10 -0.22 0.00 0.00 0.00 175.10 175.34 3mka s LEU 40 N 0.08 2.97 -0.21 3.92 2.96 -0.78 -1.17 118.68 126.45 3mka s LEU 40 Ca -0.10 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3mka s LEU 40 Cb -0.16 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.90 3mka s LEU 40 CO 0.06 0.29 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.90 3mka s PHE 41 N -0.36 2.92 -0.06 5.38 0.08 0.17 -1.54 117.98 124.57 3mka s PHE 41 Ca 0.05 -1.48 0.01 0.00 0.12 0.00 0.00 56.93 55.63 3mka s PHE 41 Cb -0.12 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 3mka s PHE 41 CO 0.02 -0.73 -0.07 0.08 -0.10 0.00 0.00 175.22 174.43 3mka s VAL 42 N 1.34 0.74 0.01 -0.44 1.01 -0.15 -2.04 120.40 120.86 3mka s VAL 42 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3mka s VAL 42 Cb -0.15 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3mka s VAL 42 CO -0.08 0.28 -0.02 0.00 0.00 0.00 0.00 175.10 175.28 3mka s ALA 43 N 1.00 0.08 -0.35 5.51 0.00 -0.65 0.00 121.76 127.35 3mka s ALA 43 Ca -0.09 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 3mka s ALA 43 Cb -0.14 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3mka s ALA 43 CO -0.00 -0.08 1.08 -2.00 0.00 0.00 0.00 175.76 174.76 3mka s GLU 44 N -0.76 4.00 -0.21 0.00 2.12 -0.56 -1.10 118.70 122.18 3mka s GLU 44 Ca -0.08 0.96 -0.04 0.00 0.36 0.00 0.00 54.97 56.17 3mka s GLU 44 Cb -0.05 -3.77 0.09 0.00 0.26 0.00 0.00 34.13 30.66 3mka s GLU 44 CO -0.00 -0.99 0.22 1.21 -0.54 0.00 0.00 175.26 175.15 3mka s ASN 45 N 1.81 1.51 0.21 -1.70 3.84 -0.65 -4.47 114.94 115.50 3mka s ASN 45 Ca 0.46 -0.31 -0.04 0.00 0.21 0.00 0.00 52.86 53.17 3mka s ASN 45 Cb -0.11 0.33 0.17 0.00 -0.55 0.00 0.00 41.25 41.09 3mka s ASN 45 CO 0.18 -0.34 1.60 -0.65 -2.79 0.00 0.00 177.10 175.11 3mka h PRO 46 N 8.32 0.74 -7.06 0.43 0.11 -1.79 -3.31 132.00 129.44 3mka h PRO 46 Ca -0.17 -0.33 -0.56 0.00 0.11 0.00 0.00 66.00 65.05 3mka h PRO 46 Cb 1.14 -0.02 0.16 0.00 0.11 0.00 0.00 31.00 32.39 3mka h PRO 46 CO 0.29 0.94 0.49 0.45 -0.21 0.00 0.00 178.00 179.96 3mka n SER 47 N -4.08 2.09 -0.03 -2.05 2.88 -1.26 -4.88 113.62 106.28 3mka n SER 47 Ca -0.01 0.86 0.04 0.00 -1.33 0.00 0.00 58.87 58.43 3mka n SER 47 Cb 0.47 -1.54 -0.13 0.00 -0.75 0.00 0.00 64.21 62.25 3mka n SER 47 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3mka n ARG 48 N -1.61 0.78 -0.00 -1.46 1.85 -1.26 -4.60 116.66 110.36 3mka n ARG 48 Ca 0.14 -0.11 0.07 0.00 -1.00 0.00 0.00 57.85 56.95 3mka n ARG 48 Cb 0.47 -1.42 -0.09 0.00 -1.05 0.00 0.00 32.46 30.37 3mka n ARG 48 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3mka n SER 49 N -2.26 1.14 -4.42 2.89 7.64 -1.26 -4.95 113.62 112.39 3mka n SER 49 Ca -0.10 -0.44 -0.37 0.00 1.01 0.00 0.00 58.87 58.96 3mka n SER 49 Cb 0.63 1.31 -0.12 0.00 -1.01 0.00 0.00 64.21 65.02 3mka n SER 49 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mka s LEU 50 N -3.29 3.68 0.41 -3.43 1.43 -1.26 -5.10 118.68 111.12 3mka s LEU 50 Ca 0.00 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3mka s LEU 50 Cb 0.10 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3mka s LEU 50 CO 0.59 -0.11 0.74 0.00 0.23 0.00 0.00 176.35 177.80 3mka s GLN 51 N 1.59 3.67 0.00 1.70 0.00 -1.26 -4.84 119.66 120.52 3mka s GLN 51 Ca 0.05 0.29 0.00 0.00 -0.00 0.00 0.00 55.36 55.70 3mka s GLN 51 Cb -0.16 -2.43 0.00 0.00 0.00 0.00 0.00 33.01 30.42 3mka s GLN 51 CO 0.04 -0.06 0.04 1.63 0.00 0.00 0.00 175.29 176.94 3mka n LYS 52 N -1.60 1.54 -4.52 9.60 5.02 -1.26 -5.01 118.16 121.92 3mka n LYS 52 Ca 0.01 -0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 3mka n LYS 52 Cb 0.54 -0.29 -0.17 0.00 -0.02 0.00 0.00 35.03 35.10 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 -0.23 1.08 0.16 -0.18 1.01 -1.26 -0.89 121.20 120.89 3mka s ILE 53 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 3mka s ILE 53 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3mka s ILE 53 CO 0.00 0.35 0.26 -0.44 0.00 0.00 0.00 174.94 175.11 3mka s SER 54 N 0.73 0.06 0.14 3.58 0.01 0.13 -5.00 113.70 113.35 3mka s SER 54 Ca -0.14 -0.89 -0.25 0.00 1.31 0.00 0.00 55.95 55.98 3mka s SER 54 Cb -0.16 0.42 -0.07 0.00 0.21 0.00 0.00 66.02 66.42 3mka s SER 54 CO 0.03 -0.88 0.77 -0.70 0.41 0.00 0.00 173.24 172.87 3mka s GLU 55 N -3.97 4.54 -0.16 12.44 2.12 -1.26 -0.20 118.70 132.21 3mka s GLU 55 Ca 0.17 1.13 -0.11 0.00 0.36 0.00 0.00 54.97 56.52 3mka s GLU 55 Cb 0.04 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 31.08 3mka s GLU 55 CO -0.00 0.52 -0.25 1.28 -0.54 0.00 0.00 175.26 176.27 3mka n LEU 56 N 1.83 1.48 0.00 2.70 4.77 0.17 -4.83 117.00 123.13 3mka n LEU 56 Ca -0.05 0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 56.14 3mka n LEU 56 Cb 0.49 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3mka n LEU 56 CO 0.46 0.09 0.01 0.00 -1.33 0.00 0.00 177.39 176.62 3mka n TYR 57 N -3.98 -0.40 -0.25 -1.77 9.36 -0.76 -4.73 117.16 114.63 3mka n TYR 57 Ca -0.27 -0.52 -0.08 0.00 3.32 0.00 0.00 57.90 60.35 3mka n TYR 57 Cb 0.61 0.09 -0.07 0.00 -0.63 0.00 0.00 39.34 39.34 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 -1.43 -0.30 2.98 3.32 -1.95 -2.81 116.42 116.63 3mka h ASP 58 Ca -0.05 0.21 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 3mka h ASP 58 Cb 0.24 0.62 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 3mka h ASP 58 CO 0.07 -0.18 -0.04 0.54 -1.72 0.00 0.00 179.24 177.92 3mka n ARG 59 N -4.52 2.20 -4.01 3.56 5.12 -1.26 -0.56 116.66 117.19 3mka n ARG 59 Ca 0.01 -3.02 -0.27 0.00 -1.93 0.00 0.00 57.85 52.63 3mka n ARG 59 Cb 0.19 -1.81 -0.17 0.00 -1.16 0.00 0.00 32.46 29.51 3mka n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3mka s VAL 60 N -3.08 1.12 0.29 1.55 1.01 -1.06 -1.87 120.40 118.36 3mka s VAL 60 Ca 0.43 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.14 3mka s VAL 60 Cb 0.38 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3mka s VAL 60 CO 0.03 0.38 0.09 -0.83 0.00 0.00 0.00 175.10 174.78 3mka s GLY 61 N 1.54 1.72 -0.03 4.51 0.00 0.15 -0.66 107.32 114.54 3mka s GLY 61 Ca 0.02 -1.67 0.02 0.00 0.00 0.00 0.00 44.72 43.09 3mka s GLY 61 CO -0.07 -1.68 -0.09 -0.12 0.00 0.00 0.00 173.10 171.14 3mka s PHE 62 N -2.33 1.00 0.00 1.90 5.36 0.72 -0.72 117.98 123.92 3mka s PHE 62 Ca 0.34 -0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.05 3mka s PHE 62 Cb -0.05 -0.74 -0.00 0.00 -0.34 0.00 0.00 43.02 41.89 3mka s PHE 62 CO 0.22 -0.14 -0.03 0.00 -1.46 0.00 0.00 175.22 173.81 3mka s ALA 63 N 0.38 0.27 0.10 11.12 0.00 -0.33 0.21 121.76 133.51 3mka s ALA 63 Ca -0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 3mka s ALA 63 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3mka s ALA 63 CO 0.01 0.05 0.13 0.00 0.00 0.00 0.00 175.76 175.95 3mka s ALA 64 N -0.18 0.15 -0.00 0.00 0.00 -0.07 -0.17 121.76 121.48 3mka s ALA 64 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3mka s ALA 64 Cb -0.02 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 3mka s ALA 64 CO -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 175.76 175.24 3mka s ALA 65 N -3.92 0.23 0.00 0.00 0.00 -0.52 -4.86 121.76 112.70 3mka s ALA 65 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3mka s ALA 65 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3mka s ALA 65 CO -0.07 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3mka n GLY 66 N 3.04 0.72 3.68 0.00 0.00 -1.26 -0.82 105.19 110.54 3mka n GLY 66 Ca -0.13 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3mka n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mka s LYS 67 N -2.00 4.35 0.07 1.61 2.20 -0.20 -4.92 119.74 120.85 3mka s LYS 67 Ca 0.00 1.60 -0.29 0.00 -0.36 0.00 0.00 55.97 56.92 3mka s LYS 67 Cb 0.00 -3.57 -0.14 0.00 -1.51 0.00 0.00 37.83 32.61 3mka s LYS 67 CO 0.00 -0.45 1.46 0.35 -0.36 0.00 0.00 175.35 176.35 3mka h PHE 68 N 7.44 -1.16 -1.09 4.03 3.57 -1.96 -1.65 116.94 126.11 3mka h PHE 68 Ca -0.32 0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.49 3mka h PHE 68 Cb 1.15 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 40.28 3mka h PHE 68 CO 0.73 -0.55 0.76 -2.95 -2.23 0.00 0.00 178.31 174.07 3mka h ASN 69 N -0.82 0.14 0.21 0.41 7.08 -1.99 0.13 115.58 120.75 3mka h ASN 69 Ca -0.05 0.03 -0.26 0.00 -3.08 0.00 0.00 56.30 52.93 3mka h ASN 69 Cb 0.72 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.98 3mka h ASN 69 CO -0.06 0.03 -1.09 -0.33 -2.08 0.00 0.00 177.43 173.89 3mka h GLU 70 N 0.13 0.54 0.00 4.14 5.08 -1.83 -2.97 114.58 119.67 3mka h GLU 70 Ca 0.55 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3mka h GLU 70 Cb 1.93 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.38 3mka h GLU 70 CO -0.10 1.26 -0.61 1.97 -1.00 0.00 0.00 179.01 180.53 3mka n PHE 71 N -3.77 0.43 -0.07 4.33 1.16 -0.07 -2.88 117.46 116.59 3mka n PHE 71 Ca -0.10 0.13 -0.14 0.00 -1.87 0.00 0.00 57.45 55.46 3mka n PHE 71 Cb 0.91 -0.57 -0.05 0.00 -1.61 0.00 0.00 39.48 38.16 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 0.77 -0.59 5.98 3.58 -0.91 -1.50 116.42 123.75 3mka h ASP 72 Ca 0.00 -0.53 0.11 0.00 0.42 0.00 0.00 57.03 57.03 3mka h ASP 72 Cb 0.70 -0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.44 3mka h ASP 72 CO 0.00 1.15 0.10 -1.13 -2.88 0.00 0.00 179.24 176.48 3mka h ASN 73 N 0.42 -0.05 1.20 2.28 -0.73 -1.51 0.73 115.58 117.91 3mka h ASN 73 Ca 0.02 0.12 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 3mka h ASN 73 Cb 1.00 0.17 -0.00 0.00 0.27 0.00 0.00 38.32 39.76 3mka h ASN 73 CO 0.09 -0.01 -0.11 -0.07 -0.37 0.00 0.00 177.43 176.96 3mka h LEU 74 N 0.22 0.00 -0.03 0.34 4.07 -1.38 -2.42 115.31 116.11 3mka h LEU 74 Ca 0.31 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.17 3mka h LEU 74 Cb 0.46 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.21 3mka h LEU 74 CO -0.42 0.11 -0.34 -0.09 -1.08 0.00 0.00 178.44 176.62 3mka h ARG 75 N 0.00 0.29 0.06 1.13 2.43 0.15 -2.47 114.38 115.97 3mka h ARG 75 Ca -0.00 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 3mka h ARG 75 Cb 0.74 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 3mka h ARG 75 CO 0.01 0.94 -0.21 0.00 -1.51 0.00 0.00 179.97 179.21 3mka h ARG 76 N -0.26 -0.35 0.00 0.20 3.08 -1.01 -1.09 114.38 114.95 3mka h ARG 76 Ca -0.03 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3mka h ARG 76 Cb 1.03 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3mka h ARG 76 CO 0.07 -0.23 -0.02 0.78 -1.07 0.00 0.00 179.97 179.49 3mka h GLY 77 N -0.36 0.00 1.58 0.04 0.00 -1.50 0.70 103.07 103.53 3mka h GLY 77 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.13 3mka h GLY 77 CO -0.15 0.00 -1.07 -1.33 0.00 0.00 0.00 176.54 173.99 3mka h GLY 78 N 0.13 0.39 1.09 4.60 0.00 -0.87 -1.47 103.07 106.94 3mka h GLY 78 Ca -0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 47.33 46.45 3mka h GLY 78 CO 0.00 0.70 0.13 -2.22 0.00 0.00 0.00 176.54 175.15 3mka h ILE 79 N 0.16 1.26 -0.54 2.60 2.04 0.06 -0.10 117.51 122.99 3mka h ILE 79 Ca -0.10 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 3mka h ILE 79 Cb 1.74 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3mka h ILE 79 CO 0.18 0.39 0.12 1.56 0.00 0.00 0.00 178.15 180.39 3mka h GLN 80 N 1.05 0.88 -0.39 2.37 4.20 -0.80 -1.76 115.11 120.66 3mka h GLN 80 Ca 0.21 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3mka h GLN 80 Cb 0.42 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3mka h GLN 80 CO 0.01 0.84 0.09 0.35 -0.67 0.00 0.00 178.83 179.45 3mka h PHE 81 N 0.78 0.67 0.14 2.96 3.57 -0.95 -1.93 116.94 122.17 3mka h PHE 81 Ca 0.17 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3mka h PHE 81 Cb 0.37 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3mka h PHE 81 CO 0.03 0.65 -0.07 0.00 -2.23 0.00 0.00 178.31 176.69 3mka h ALA 82 N 0.94 -0.19 -0.28 2.41 0.00 -0.90 -1.16 119.26 120.08 3mka h ALA 82 Ca 0.12 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 82 Cb 0.33 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3mka h ALA 82 CO 0.00 -0.53 -0.04 -0.44 0.00 0.00 0.00 179.25 178.24 3mka h ASP 83 N -0.34 -0.20 -0.68 0.00 3.32 -1.35 -0.11 116.42 117.06 3mka h ASP 83 Ca -0.02 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3mka h ASP 83 Cb 0.27 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3mka h ASP 83 CO 0.03 -0.06 0.44 0.74 -1.72 0.00 0.00 179.24 178.66 3mka h THR 84 N 0.03 1.12 0.00 0.35 2.02 -1.26 -0.36 112.91 114.82 3mka h THR 84 Ca 0.13 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 3mka h THR 84 Cb 0.19 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3mka h THR 84 CO -0.26 0.16 -0.56 0.03 0.37 0.00 0.00 175.52 175.26 3mka h ARG 85 N 0.87 0.00 0.00 6.66 2.47 -0.67 -2.01 114.38 121.69 3mka h ARG 85 Ca 0.26 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.90 3mka h ARG 85 Cb -0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 3mka h ARG 85 CO -0.09 0.56 -0.42 0.78 0.56 0.00 0.00 179.97 181.36 3mka h GLY 86 N 1.77 0.00 0.18 0.04 0.00 -0.49 -2.55 103.07 102.02 3mka h GLY 86 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3mka h GLY 86 CO 0.07 0.00 -0.07 -1.82 0.00 0.00 0.00 176.54 174.72 3mka h TYR 87 N 0.00 0.06 0.00 5.60 3.20 -0.83 -3.11 116.97 121.90 3mka h TYR 87 Ca -0.00 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 3mka h TYR 87 Cb 1.11 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 3mka h TYR 87 CO 0.00 0.93 -0.10 0.00 -1.64 0.00 0.00 178.16 177.35 3mka h ALA 88 N 0.12 1.53 -3.00 1.82 0.00 -1.39 -3.43 119.26 114.91 3mka h ALA 88 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mka h ALA 88 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3mka h ALA 88 CO 0.01 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.05 3mka n TYR 89 N -3.98 0.00 -4.07 0.00 4.01 -0.96 -5.10 117.16 107.05 3mka n TYR 89 Ca -0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 3mka n TYR 89 Cb 0.19 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.11 3mka n TYR 89 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3mka s ASP 90 N 1.00 0.72 0.38 7.72 2.15 -1.21 -4.93 116.67 122.50 3mka s ASP 90 Ca 0.00 -0.70 0.17 0.00 0.43 0.00 0.00 52.55 52.45 3mka s ASP 90 Cb 0.00 0.09 1.08 0.00 -0.30 0.00 0.00 42.92 43.79 3mka s ASP 90 CO 0.00 -0.34 1.73 0.03 -0.17 0.00 0.00 175.17 176.42 3mka h ARG 91 N 4.01 0.39 0.00 4.34 3.08 -1.87 0.54 114.38 124.87 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 1.19 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3mka h ARG 91 CO 0.50 0.26 0.00 -2.13 -1.07 0.00 0.00 179.97 177.52 3mka n ARG 92 N -4.75 0.52 0.00 0.04 3.00 -1.26 -2.46 116.66 111.76 3mka n ARG 92 Ca 0.28 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.23 3mka n ARG 92 Cb 0.92 -1.46 -0.07 0.00 0.00 0.00 0.00 32.46 31.85 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 -0.96 1.38 -4.69 6.15 8.00 0.18 -4.88 116.55 121.73 3mka n ASP 93 Ca 0.11 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 3mka n ASP 93 Cb 0.05 0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 41.90 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 -2.70 4.89 0.19 2.53 1.01 -1.03 -5.03 120.40 120.25 3mka s VAL 94 Ca 0.12 1.74 0.07 0.00 0.00 0.00 0.00 61.98 63.91 3mka s VAL 94 Cb 0.16 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3mka s VAL 94 CO 0.72 0.08 -0.14 0.42 0.00 0.00 0.00 175.10 176.17 3mka s THR 95 N 1.73 1.65 0.11 3.92 -4.23 -1.26 -5.02 115.64 112.53 3mka s THR 95 Ca 0.42 -2.13 -0.17 0.00 -1.18 0.00 0.00 61.69 58.63 3mka s THR 95 Cb -0.18 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 3mka s THR 95 CO 0.17 -0.57 1.62 1.23 -0.54 0.00 0.00 174.62 176.52 3mka h GLY 96 N 2.73 0.54 -0.14 3.99 0.00 -1.92 -2.54 103.07 105.73 3mka h GLY 96 Ca -0.38 -0.33 0.23 0.00 0.00 0.00 0.00 47.33 46.84 3mka h GLY 96 CO 0.60 0.31 0.49 -0.09 0.00 0.00 0.00 176.54 177.85 3mka h ARG 97 N 0.36 0.49 -0.32 4.80 2.43 -1.96 -0.94 114.38 119.23 3mka h ARG 97 Ca 0.10 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3mka h ARG 97 Cb 0.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3mka h ARG 97 CO -0.00 0.32 -0.26 1.96 -1.51 0.00 0.00 179.97 180.49 3mka h GLN 98 N 0.50 0.74 -0.50 0.20 4.20 -1.88 -0.93 115.11 117.45 3mka h GLN 98 Ca 0.59 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 3mka h GLN 98 Cb 1.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 3mka h GLN 98 CO -0.49 0.99 0.13 -0.07 -0.67 0.00 0.00 178.83 178.72 3mka h LEU 99 N 0.51 0.69 -0.12 1.46 -0.00 -0.95 -1.08 115.31 115.82 3mka h LEU 99 Ca 0.06 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 3mka h LEU 99 Cb 0.82 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 3mka h LEU 99 CO 0.07 0.67 -0.01 0.00 -0.00 0.00 0.00 178.44 179.17 3mka h ALA 100 N 1.42 0.16 -0.81 1.53 0.00 -1.02 -1.45 119.26 119.09 3mka h ALA 100 Ca 0.16 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 100 Cb 0.25 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3mka h ALA 100 CO -0.00 -0.13 0.53 -0.97 0.00 0.00 0.00 179.25 178.67 3mka h ASN 101 N -0.07 0.69 -0.24 0.00 -0.73 -0.87 -0.69 115.58 113.67 3mka h ASN 101 Ca 0.03 0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.14 3mka h ASN 101 Cb 0.39 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 3mka h ASN 101 CO 0.01 0.42 -0.17 0.58 -0.37 0.00 0.00 177.43 177.89 3mka h VAL 102 N 0.77 1.31 -0.66 2.57 2.07 -0.83 -2.34 116.25 119.14 3mka h VAL 102 Ca 0.37 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3mka h VAL 102 Cb 0.42 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3mka h VAL 102 CO -0.14 0.40 0.43 1.88 0.02 0.00 0.00 177.57 180.16 3mka h TYR 103 N 0.25 0.84 -0.19 1.57 0.05 -0.63 -0.19 116.97 118.66 3mka h TYR 103 Ca 0.05 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.89 3mka h TYR 103 Cb 0.70 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 38.11 3mka h TYR 103 CO 0.07 0.54 -0.15 0.00 -1.05 0.00 0.00 178.16 177.56 3mka h ALA 104 N 1.23 -0.02 -0.74 3.88 0.00 -1.04 0.18 119.26 122.75 3mka h ALA 104 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3mka h ALA 104 Cb -0.09 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3mka h ALA 104 CO -0.05 -0.58 0.47 0.37 0.00 0.00 0.00 179.25 179.46 3mka h GLN 105 N -0.16 0.98 0.22 0.00 5.75 -1.09 0.67 115.11 121.48 3mka h GLN 105 Ca 0.12 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3mka h GLN 105 Cb 0.34 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3mka h GLN 105 CO -0.29 0.66 -0.11 1.15 -2.65 0.00 0.00 178.83 177.60 3mka h THR 106 N 1.00 0.86 -0.75 2.39 2.02 -0.31 -1.31 112.91 116.80 3mka h THR 106 Ca 0.27 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3mka h THR 106 Cb -0.09 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3mka h THR 106 CO -0.06 0.13 0.43 -0.07 0.37 0.00 0.00 175.52 176.32 3mka h LEU 107 N -0.59 0.92 -0.79 2.58 3.38 -0.67 0.44 115.31 120.58 3mka h LEU 107 Ca -0.03 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 57.99 3mka h LEU 107 Cb 0.43 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 3mka h LEU 107 CO 0.05 0.74 0.37 1.23 0.09 0.00 0.00 178.44 180.92 3mka h GLY 108 N 1.03 1.24 1.11 0.83 0.00 -0.75 0.11 103.07 106.64 3mka h GLY 108 Ca 0.27 -0.20 -0.23 0.00 0.00 0.00 0.00 47.33 47.16 3mka h GLY 108 CO -0.05 -0.05 -0.89 -0.84 0.00 0.00 0.00 176.54 174.72 3mka h THR 109 N 0.55 1.31 -0.33 4.70 2.02 -0.48 -2.95 112.91 117.72 3mka h THR 109 Ca 0.43 -2.14 0.02 0.00 0.77 0.00 0.00 66.41 65.48 3mka h THR 109 Cb 0.60 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 3mka h THR 109 CO -0.37 0.66 0.18 0.40 0.37 0.00 0.00 175.52 176.76 3mka h ILE 110 N 0.31 1.01 -0.75 3.11 2.04 -0.14 0.13 117.51 123.23 3mka h ILE 110 Ca -0.10 -0.13 0.15 0.00 1.00 0.00 0.00 64.86 65.78 3mka h ILE 110 Cb 1.55 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 38.14 3mka h ILE 110 CO 0.18 0.07 0.26 0.15 0.00 0.00 0.00 178.15 178.81 3mka h PHE 111 N 0.37 0.44 0.08 1.37 3.57 -0.84 0.74 116.94 122.67 3mka h PHE 111 Ca 0.14 0.04 -0.27 0.00 3.53 0.00 0.00 57.97 61.40 3mka h PHE 111 Cb 0.03 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3mka h PHE 111 CO -0.09 0.02 -1.31 1.15 -2.23 0.00 0.00 178.31 175.85 3mka h THR 112 N 0.39 1.39 0.00 4.41 2.02 -1.27 -3.42 112.91 116.43 3mka h THR 112 Ca 0.41 -3.04 0.00 0.00 0.77 0.00 0.00 66.41 64.55 3mka h THR 112 Cb 0.66 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 3mka h THR 112 CO -0.43 0.86 -1.27 -0.62 0.37 0.00 0.00 175.52 174.42 3mka n GLU 113 N -3.42 0.47 -3.08 6.66 -0.58 0.43 -5.03 120.64 116.09 3mka n GLU 113 Ca -0.10 -0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.25 3mka n GLU 113 Cb 1.01 -1.15 -0.06 0.00 -0.57 0.00 0.00 31.44 30.67 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 -2.45 4.07 0.06 3.49 -1.52 0.21 -4.99 119.66 118.53 3mka s GLN 114 Ca -0.02 0.77 -0.13 0.00 -1.95 0.00 0.00 55.36 54.03 3mka s GLN 114 Cb 0.05 -2.43 -0.04 0.00 -0.22 0.00 0.00 33.01 30.37 3mka s GLN 114 CO 0.30 0.15 1.23 0.00 -0.25 0.00 0.00 175.29 176.72 3mka h ALA 115 N 2.31 -0.32 -3.44 6.09 0.00 -1.96 -3.39 119.26 118.56 3mka h ALA 115 Ca -0.48 0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.81 3mka h ALA 115 Cb 1.18 1.07 -0.23 0.00 0.00 0.00 0.00 17.79 19.81 3mka h ALA 115 CO 0.65 -0.48 -0.71 0.21 0.00 0.00 0.00 179.25 178.92 3mka s LYS 116 N -4.08 3.30 1.11 0.00 2.20 -1.26 -5.11 119.74 115.90 3mka s LYS 116 Ca -0.05 -0.59 -0.16 0.00 -0.36 0.00 0.00 55.97 54.81 3mka s LYS 116 Cb 0.04 -2.72 0.24 0.00 -1.51 0.00 0.00 37.83 33.88 3mka s LYS 116 CO 0.26 0.36 1.10 -1.25 -0.36 0.00 0.00 175.35 175.46 3mka s PRO 117 N 0.01 -0.45 -0.06 4.03 0.04 -1.26 -4.91 135.00 132.40 3mka s PRO 117 Ca -0.01 0.22 -0.24 0.00 0.04 0.00 0.00 61.00 61.00 3mka s PRO 117 Cb -0.14 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 3mka s PRO 117 CO 0.03 -3.26 0.72 0.71 0.04 0.00 0.00 177.00 175.24 3mka s TYR 118 N -2.98 3.58 -1.28 0.56 1.51 -1.26 -4.95 117.35 112.54 3mka s TYR 118 Ca 0.68 1.28 -0.11 0.00 -1.01 0.00 0.00 57.07 57.91 3mka s TYR 118 Cb -0.14 -2.82 0.16 0.00 -0.11 0.00 0.00 41.96 39.04 3mka s TYR 118 CO 0.57 0.09 1.80 0.39 -1.11 0.00 0.00 175.55 177.29 3mka n GLU 119 N 3.77 3.51 -3.75 -0.62 1.02 -1.26 -4.70 120.64 118.60 3mka n GLU 119 Ca -0.01 -3.54 -0.10 0.00 -0.02 0.00 0.00 57.16 53.50 3mka n GLU 119 Cb 0.51 -2.98 -0.06 0.00 -0.02 0.00 0.00 31.44 28.89 3mka n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3mka s VAL 120 N 0.89 0.10 -0.05 2.62 -7.23 -1.26 -1.03 120.40 114.44 3mka s VAL 120 Ca 0.41 -0.90 -0.03 0.00 -1.81 0.00 0.00 61.98 59.66 3mka s VAL 120 Cb 0.07 -1.31 0.02 0.00 0.56 0.00 0.00 36.38 35.73 3mka s VAL 120 CO 0.00 -0.45 0.11 -0.70 -0.31 0.00 0.00 175.10 173.76 3mka s GLU 121 N -3.84 0.09 0.11 4.82 2.12 -0.00 -3.23 118.70 118.77 3mka s GLU 121 Ca 0.05 0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.63 3mka s GLU 121 Cb 0.03 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 3mka s GLU 121 CO -0.10 -0.09 -0.02 -0.48 -0.54 0.00 0.00 175.26 174.02 3mka s LEU 122 N 0.62 2.30 -0.08 2.70 0.05 -0.49 -1.43 118.68 122.35 3mka s LEU 122 Ca -0.05 -1.08 0.03 0.00 0.05 0.00 0.00 54.13 53.09 3mka s LEU 122 Cb -0.06 0.04 0.01 0.00 -2.05 0.00 0.00 46.19 44.13 3mka s LEU 122 CO -0.03 -0.56 -0.16 0.00 -0.55 0.00 0.00 176.35 175.05 3mka s VAL 124 N 0.55 2.73 0.01 0.00 1.01 -0.85 -1.18 120.40 122.66 3mka s VAL 124 Ca -0.16 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3mka s VAL 124 Cb -0.17 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3mka s VAL 124 CO 0.06 0.50 -0.21 0.00 0.00 0.00 0.00 175.10 175.44 3mka s ALA 125 N 1.03 1.80 -0.05 5.51 0.00 0.11 -1.33 121.76 128.83 3mka s ALA 125 Ca -0.01 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3mka s ALA 125 Cb -0.15 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.58 3mka s ALA 125 CO -0.03 0.43 -0.03 -2.00 0.00 0.00 0.00 175.76 174.13 3mka s GLU 126 N -0.75 0.72 0.44 0.00 2.12 -0.74 0.30 118.70 120.78 3mka s GLU 126 Ca 0.08 -0.05 0.08 0.00 0.36 0.00 0.00 54.97 55.44 3mka s GLU 126 Cb -0.08 -0.80 0.01 0.00 0.26 0.00 0.00 34.13 33.51 3mka s GLU 126 CO 0.00 -0.12 0.51 0.14 -0.54 0.00 0.00 175.26 175.25 3mka s VAL 127 N 1.09 2.70 0.84 3.70 -7.23 -0.78 -1.28 120.40 119.44 3mka s VAL 127 Ca -0.09 -1.16 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 3mka s VAL 127 Cb -0.14 -2.85 0.09 0.00 0.56 0.00 0.00 36.38 34.04 3mka s VAL 127 CO -0.01 0.00 1.11 0.00 -0.31 0.00 0.00 175.10 175.89 3mka s ALA 128 N -2.46 2.05 0.47 1.32 0.00 -1.26 -4.86 121.76 117.02 3mka s ALA 128 Ca 0.52 -0.29 -0.20 0.00 0.00 0.00 0.00 51.96 52.00 3mka s ALA 128 Cb -0.06 -3.09 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 3mka s ALA 128 CO 0.31 -1.94 0.99 -1.01 0.00 0.00 0.00 175.76 174.11 3mka s HIS 129 N -3.17 3.20 -0.42 0.00 3.76 -1.26 -4.79 115.29 112.61 3mka s HIS 129 Ca 0.62 1.58 -0.44 0.00 -0.15 0.00 0.00 55.06 56.67 3mka s HIS 129 Cb -0.15 -2.93 -0.18 0.00 1.11 0.00 0.00 32.58 30.44 3mka s HIS 129 CO 0.54 -0.44 1.73 0.98 -0.85 0.00 0.00 174.74 176.71 3mka n TYR 130 N -0.92 1.80 0.00 1.40 9.36 -1.26 0.08 117.16 127.62 3mka n TYR 130 Ca 0.08 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.15 3mka n TYR 130 Cb 0.53 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.91 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 4.54 3.05 3.80 2.98 0.00 -1.26 -5.05 105.19 113.26 3mka n GLY 131 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.29 0.62 -0.34 1.61 2.02 0.11 -5.04 118.70 117.40 3mka s GLU 132 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 54.97 54.99 3mka s GLU 132 Cb 0.00 -1.80 0.12 0.00 0.10 0.00 0.00 34.13 32.54 3mka s GLU 132 CO 0.00 -2.49 0.16 0.95 0.02 0.00 0.00 175.26 173.90 3mka s THR 133 N -3.42 0.57 0.01 3.63 -4.23 -1.26 -4.78 115.64 106.15 3mka s THR 133 Ca 0.68 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 3mka s THR 133 Cb -0.10 -1.42 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 3mka s THR 133 CO 0.53 -0.82 -0.09 -0.75 -0.54 0.00 0.00 174.62 172.96 3mka s LYS 134 N 1.34 0.66 0.10 3.99 2.20 -1.26 -5.11 119.74 121.65 3mka s LYS 134 Ca 0.13 -0.45 -0.31 0.00 -0.36 0.00 0.00 55.97 54.99 3mka s LYS 134 Cb -0.20 -0.60 -0.08 0.00 -1.51 0.00 0.00 37.83 35.44 3mka s LYS 134 CO -0.16 0.16 1.41 1.03 -0.36 0.00 0.00 175.35 177.42 3mka s ARG 135 N -0.61 4.31 0.99 4.03 0.52 -1.26 -4.41 118.95 122.53 3mka s ARG 135 Ca 0.00 2.08 -0.15 0.00 -0.52 0.00 0.00 55.73 57.14 3mka s ARG 135 Cb -0.05 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.15 3mka s ARG 135 CO 0.00 -0.47 0.15 -2.30 0.02 0.00 0.00 175.30 172.70 3mka n PRO 136 N 4.20 -0.55 -4.49 3.54 -0.02 -1.26 -4.88 135.00 131.54 3mka n PRO 136 Ca 0.12 -0.13 -0.21 0.00 -2.02 0.00 0.00 63.50 61.25 3mka n PRO 136 Cb 0.42 -1.72 -0.14 0.00 -0.02 0.00 0.00 33.50 32.04 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 -3.40 1.06 -0.00 -0.52 2.02 -0.40 -4.99 118.70 112.46 3mka s GLU 137 Ca 0.55 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.87 3mka s GLU 137 Cb -0.18 -1.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.98 3mka s GLU 137 CO 0.69 0.27 -0.08 -0.51 0.02 0.00 0.00 175.26 175.65 3mka s LEU 138 N -0.86 2.03 0.02 1.80 1.43 -1.24 -1.80 118.68 120.07 3mka s LEU 138 Ca 0.04 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3mka s LEU 138 Cb -0.07 -0.42 -0.01 0.00 0.03 0.00 0.00 46.19 45.72 3mka s LEU 138 CO 0.01 0.09 -0.07 -0.31 0.23 0.00 0.00 176.35 176.29 3mka s TYR 139 N -0.26 0.65 -0.04 0.29 2.02 -0.44 -1.34 117.35 118.22 3mka s TYR 139 Ca 0.03 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 3mka s TYR 139 Cb -0.04 -0.40 -0.01 0.00 -0.40 0.00 0.00 41.96 41.12 3mka s TYR 139 CO -0.00 -0.04 -0.22 0.50 -1.57 0.00 0.00 175.55 174.22 3mka s ARG 140 N -0.88 2.09 -0.09 -0.62 3.52 -0.06 -2.01 118.95 120.89 3mka s ARG 140 Ca -0.03 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.82 3mka s ARG 140 Cb -0.06 -1.85 0.01 0.00 -1.56 0.00 0.00 34.95 31.49 3mka s ARG 140 CO 0.00 0.37 -0.20 0.42 -0.81 0.00 0.00 175.30 175.08 3mka s ILE 141 N -0.20 1.76 0.52 4.11 1.09 0.19 0.10 121.20 128.76 3mka s ILE 141 Ca -0.00 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 58.73 3mka s ILE 141 Cb -0.12 -1.54 0.02 0.00 -1.06 0.00 0.00 42.46 39.76 3mka s ILE 141 CO 0.02 0.49 0.73 0.42 -0.10 0.00 0.00 174.94 176.50 3mka s THR 142 N 0.52 2.96 0.43 2.92 -4.23 -0.37 -1.39 115.64 116.49 3mka s THR 142 Ca -0.16 -0.68 0.09 0.00 -1.18 0.00 0.00 61.69 59.77 3mka s THR 142 Cb -0.17 -3.09 0.27 0.00 1.34 0.00 0.00 72.50 70.85 3mka s THR 142 CO 0.06 -0.06 2.07 0.10 -0.54 0.00 0.00 174.62 176.24 3mka h TYR 143 N 0.20 0.42 -0.37 3.99 -0.00 -1.83 0.48 116.97 119.86 3mka h TYR 143 Ca -0.43 0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.30 3mka h TYR 143 Cb 1.29 -0.14 -0.02 0.00 0.00 0.00 0.00 36.73 37.86 3mka h TYR 143 CO 0.39 0.25 0.17 0.22 -0.00 0.00 0.00 178.16 179.20 3mka h ASP 144 N 0.44 0.46 0.00 0.10 -0.00 -1.89 -3.41 116.42 112.12 3mka h ASP 144 Ca 0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 3mka h ASP 144 Cb 0.02 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.23 3mka h ASP 144 CO -0.03 0.40 0.00 0.61 -0.00 0.00 0.00 179.24 180.22 3mka n GLY 145 N -1.28 0.78 3.77 -0.78 0.00 0.17 -4.21 105.19 103.63 3mka n GLY 145 Ca 0.02 0.00 -0.39 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 -2.36 6.43 -0.08 1.61 0.01 -1.26 -4.64 113.70 113.41 3mka s SER 146 Ca 0.00 2.47 0.04 0.00 1.31 0.00 0.00 55.95 59.78 3mka s SER 146 Cb 0.00 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 3mka s SER 146 CO 0.00 -0.75 -0.22 -0.51 0.41 0.00 0.00 173.24 172.17 3mka s ILE 147 N -1.35 1.84 -0.02 1.44 2.07 -1.26 -1.23 121.20 122.70 3mka s ILE 147 Ca 0.57 -0.92 0.07 0.00 -1.41 0.00 0.00 60.65 58.96 3mka s ILE 147 Cb -0.34 -1.59 -0.02 0.00 0.13 0.00 0.00 42.46 40.65 3mka s ILE 147 CO 0.43 0.51 -0.23 0.00 -1.91 0.00 0.00 174.94 173.74 3mka s ALA 148 N 0.21 1.90 -0.70 1.50 0.00 0.12 -4.95 121.76 119.83 3mka s ALA 148 Ca -0.12 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 3mka s ALA 148 Cb -0.16 -0.49 0.13 0.00 0.00 0.00 0.00 23.12 22.60 3mka s ALA 148 CO 0.06 0.46 0.81 0.34 0.00 0.00 0.00 175.76 177.43 3mka s ASP 149 N -0.51 6.36 -0.17 0.00 -1.08 -1.26 -0.88 116.67 119.12 3mka s ASP 149 Ca 0.08 -1.73 -0.18 0.00 -0.52 0.00 0.00 52.55 50.19 3mka s ASP 149 Cb -0.09 -2.31 -0.04 0.00 -1.46 0.00 0.00 42.92 39.02 3mka s ASP 149 CO -0.01 -1.04 0.51 -1.61 0.52 0.00 0.00 175.17 173.54 3mka s GLU 150 N 2.36 4.24 0.17 4.34 0.41 -0.45 -5.00 118.70 124.77 3mka s GLU 150 Ca 0.17 0.42 -0.05 0.00 -0.41 0.00 0.00 54.97 55.11 3mka s GLU 150 Cb -0.18 -3.52 0.05 0.00 -1.78 0.00 0.00 34.13 28.70 3mka s GLU 150 CO 0.01 -0.05 1.46 -1.35 -0.49 0.00 0.00 175.26 174.83 3mka h PRO 151 N 7.23 0.59 0.00 0.39 0.11 -1.96 -3.28 132.00 135.08 3mka h PRO 151 Ca -0.36 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 65.35 3mka h PRO 151 Cb 1.16 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mka h PRO 151 CO 0.74 1.02 -0.80 0.72 -0.21 0.00 0.00 178.00 179.47 3mka n HIS 152 N -3.94 0.00 -3.83 0.65 8.25 -1.26 -4.85 115.22 110.24 3mka n HIS 152 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 3mka n HIS 152 Cb 0.64 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.80 -0.00 -0.00 4.41 -0.12 -1.26 0.86 117.98 120.06 3mka s PHE 153 Ca 0.00 -0.37 -0.01 0.00 -0.05 0.00 0.00 56.93 56.50 3mka s PHE 153 Cb 0.00 0.39 -0.00 0.00 -0.63 0.00 0.00 43.02 42.78 3mka s PHE 153 CO 0.00 -0.99 0.02 0.08 -0.05 0.00 0.00 175.22 174.28 3mka s VAL 154 N -3.92 0.03 -0.03 -2.49 1.01 0.11 -4.87 120.40 110.24 3mka s VAL 154 Ca 0.13 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3mka s VAL 154 Cb -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.25 3mka s VAL 154 CO 0.02 -0.14 -0.11 -0.69 0.00 0.00 0.00 175.10 174.18 3mka s VAL 155 N -0.40 0.94 0.03 2.92 1.01 -1.26 -0.82 120.40 122.82 3mka s VAL 155 Ca -0.05 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3mka s VAL 155 Cb -0.03 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.56 3mka s VAL 155 CO -0.00 0.28 0.35 -0.04 0.00 0.00 0.00 175.10 175.69 3mka s MET 156 N 0.06 0.81 0.00 2.72 -1.94 -0.23 -5.01 119.30 115.71 3mka s MET 156 Ca -0.01 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.61 3mka s MET 156 Cb -0.08 0.36 0.00 0.00 2.01 0.00 0.00 34.83 37.12 3mka s MET 156 CO 0.01 -0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.17 3mka n GLY 157 N 0.75 1.09 7.00 -0.03 0.00 -1.26 -0.09 105.19 112.65 3mka n GLY 157 Ca -0.19 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3mka n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mka n GLY 158 N 1.30 1.99 3.51 -0.02 0.00 0.30 -4.23 105.19 108.04 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 5.02 -0.16 2.61 -4.23 -1.25 -4.31 115.64 113.33 3mka s THR 159 Ca 0.00 -0.08 -0.18 0.00 -1.18 0.00 0.00 61.69 60.25 3mka s THR 159 Cb 0.00 -4.04 -0.23 0.00 1.34 0.00 0.00 72.50 69.57 3mka s THR 159 CO 0.00 -0.39 0.37 0.71 -0.54 0.00 0.00 174.62 174.77 3mka h THR 160 N 5.72 0.98 -0.70 3.99 1.35 -1.95 -3.41 112.91 118.88 3mka h THR 160 Ca -0.27 -2.27 0.12 0.00 -0.55 0.00 0.00 66.41 63.44 3mka h THR 160 Cb 1.11 2.49 -0.12 0.00 -1.73 0.00 0.00 68.15 69.91 3mka h THR 160 CO 0.80 0.53 -0.23 -0.62 -0.25 0.00 0.00 175.52 175.75 3mka n GLU 161 N -4.17 -0.12 0.24 4.72 4.71 -1.26 0.51 120.64 125.27 3mka n GLU 161 Ca -0.28 1.08 -0.16 0.00 -0.01 0.00 0.00 57.16 57.79 3mka n GLU 161 Cb 0.78 -1.60 -0.08 0.00 -1.01 0.00 0.00 31.44 29.52 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 -0.72 -0.62 3.49 0.13 -1.90 1.71 132.00 134.09 3mka h PRO 162 Ca 0.28 0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.53 3mka h PRO 162 Cb 0.46 0.16 -0.06 0.00 0.13 0.00 0.00 31.00 31.70 3mka h PRO 162 CO -0.70 -0.48 0.31 0.82 -0.23 0.00 0.00 178.00 177.72 3mka h ILE 163 N -0.75 0.91 -0.17 -3.56 2.04 -1.02 0.53 117.51 115.49 3mka h ILE 163 Ca -0.03 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 3mka h ILE 163 Cb 0.66 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3mka h ILE 163 CO -0.04 0.11 -0.16 0.00 0.00 0.00 0.00 178.15 178.06 3mka h ALA 164 N 1.35 0.25 -0.47 1.87 0.00 0.31 0.86 119.26 123.42 3mka h ALA 164 Ca 0.29 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 164 Cb 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3mka h ALA 164 CO -0.21 0.14 0.16 -0.91 0.00 0.00 0.00 179.25 178.43 3mka h ASN 165 N 0.06 0.68 -0.82 0.00 2.35 0.29 0.18 115.58 118.31 3mka h ASN 165 Ca 0.03 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 3mka h ASN 165 Cb 0.68 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 3mka h ASN 165 CO 0.04 0.69 0.47 0.00 -1.65 0.00 0.00 177.43 176.98 3mka h ALA 166 N 1.01 1.26 -0.75 -0.83 0.00 0.06 -1.80 119.26 118.22 3mka h ALA 166 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3mka h ALA 166 Cb 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3mka h ALA 166 CO -0.01 0.61 0.34 -0.07 0.00 0.00 0.00 179.25 180.12 3mka h LEU 167 N 1.15 1.00 -0.55 0.00 3.38 0.52 -2.52 115.31 118.30 3mka h LEU 167 Ca 0.29 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3mka h LEU 167 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3mka h LEU 167 CO -0.05 0.87 0.33 0.50 0.09 0.00 0.00 178.44 180.18 3mka h LYS 168 N 1.07 0.75 -0.35 1.13 3.64 0.17 -2.18 116.57 120.79 3mka h LYS 168 Ca 0.26 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3mka h LYS 168 Cb 0.15 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3mka h LYS 168 CO -0.03 0.55 -0.12 0.93 -2.27 0.00 0.00 179.45 178.51 3mka h GLU 169 N 0.74 0.71 -0.01 1.90 4.39 -1.35 -3.33 114.58 117.64 3mka h GLU 169 Ca 0.20 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3mka h GLU 169 Cb -0.01 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3mka h GLU 169 CO -0.04 0.89 -0.20 -1.13 -1.16 0.00 0.00 179.01 177.37 3mka n SER 170 N -4.36 1.19 -4.73 1.42 3.41 -0.96 -4.96 113.62 104.63 3mka n SER 170 Ca -0.02 -1.06 -0.42 0.00 -0.26 0.00 0.00 58.87 57.11 3mka n SER 170 Cb 0.37 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 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 -2.38 3.27 -0.04 7.33 5.04 -0.82 -5.03 117.35 124.72 3mka s TYR 171 Ca 0.27 1.15 0.02 0.00 -2.44 0.00 0.00 57.07 56.07 3mka s TYR 171 Cb 0.20 -3.61 0.01 0.00 0.35 0.00 0.00 41.96 38.91 3mka s TYR 171 CO 0.48 -1.97 -0.10 0.00 -1.34 0.00 0.00 175.55 172.62 3mka s ALA 172 N 0.49 0.98 0.48 3.97 0.00 -1.26 -5.07 121.76 121.36 3mka s ALA 172 Ca 0.59 -0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 3mka s ALA 172 Cb -0.36 -0.42 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 3mka s ALA 172 CO 0.35 0.12 1.15 -2.00 0.00 0.00 0.00 175.76 175.37 3mka s GLU 173 N 0.44 3.66 -1.44 0.00 2.12 -1.26 -3.70 118.70 118.51 3mka s GLU 173 Ca -0.08 1.70 -0.09 0.00 0.36 0.00 0.00 54.97 56.87 3mka s GLU 173 Cb -0.12 -2.28 0.02 0.00 0.26 0.00 0.00 34.13 32.01 3mka s GLU 173 CO 0.01 -0.62 0.98 0.09 -0.54 0.00 0.00 175.26 175.18 3mka n ASN 174 N -0.72 -5.99 -4.79 -1.70 3.02 -1.26 -4.95 115.26 98.86 3mka n ASN 174 Ca 0.09 -0.50 -0.34 0.00 -0.03 0.00 0.00 54.58 53.79 3mka n ASN 174 Cb 0.49 -4.76 -0.01 0.00 -0.61 0.00 0.00 39.78 34.89 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 -3.26 2.75 0.71 5.41 0.00 -1.24 -4.37 121.76 121.75 3mka s ALA 175 Ca 0.52 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 3mka s ALA 175 Cb -0.24 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.61 3mka s ALA 175 CO 0.64 -0.65 1.10 -1.54 0.00 0.00 0.00 175.76 175.32 3mka s SER 176 N -2.07 4.79 0.15 0.00 1.04 -1.26 -2.65 113.70 113.69 3mka s SER 176 Ca 0.69 1.94 -0.16 0.00 0.48 0.00 0.00 55.95 58.89 3mka s SER 176 Cb -0.20 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.39 3mka s SER 176 CO 0.27 -1.84 1.79 0.25 0.98 0.00 0.00 173.24 174.69 3mka h LEU 177 N -0.51 0.46 -0.51 2.42 5.85 -1.99 -0.43 115.31 120.60 3mka h LEU 177 Ca -0.45 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 3mka h LEU 177 Cb 1.24 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3mka h LEU 177 CO 0.53 0.36 0.26 0.74 -0.34 0.00 0.00 178.44 179.98 3mka h THR 178 N 0.52 1.19 -0.62 1.05 2.02 -1.92 -0.14 112.91 115.01 3mka h THR 178 Ca 0.14 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 3mka h THR 178 Cb -0.03 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 3mka h THR 178 CO -0.03 0.20 0.28 0.44 0.37 0.00 0.00 175.52 176.79 3mka h ASP 179 N 0.67 0.82 -0.62 4.18 3.32 -1.86 -0.49 116.42 122.44 3mka h ASP 179 Ca 0.18 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3mka h ASP 179 Cb 0.09 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3mka h ASP 179 CO -0.02 0.73 0.29 0.00 -1.72 0.00 0.00 179.24 178.52 3mka h ALA 180 N 1.12 0.81 -0.48 3.45 0.00 -0.72 -0.41 119.26 123.03 3mka h ALA 180 Ca 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 180 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3mka h ALA 180 CO -0.02 0.38 0.28 1.25 0.00 0.00 0.00 179.25 181.13 3mka h LEU 181 N 0.86 0.58 -0.76 0.00 5.85 -0.60 -0.41 115.31 120.83 3mka h LEU 181 Ca 0.21 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3mka h LEU 181 Cb 0.13 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3mka h LEU 181 CO -0.03 0.48 0.30 0.03 -0.34 0.00 0.00 178.44 178.88 3mka h ARG 182 N 0.63 1.14 -0.72 1.25 3.08 -0.68 -0.05 114.38 119.03 3mka h ARG 182 Ca 0.17 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3mka h ARG 182 Cb 0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3mka h ARG 182 CO -0.03 0.93 0.25 0.82 -1.07 0.00 0.00 179.97 180.87 3mka h ILE 183 N 1.10 1.25 -0.63 2.04 2.04 -0.68 -1.48 117.51 121.16 3mka h ILE 183 Ca 0.25 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 3mka h ILE 183 Cb 0.22 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3mka h ILE 183 CO -0.02 0.34 0.23 0.00 0.00 0.00 0.00 178.15 178.70 3mka h ALA 184 N 1.12 0.82 -0.93 1.87 0.00 -0.68 -2.11 119.26 119.35 3mka h ALA 184 Ca 0.23 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 184 Cb 0.27 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3mka h ALA 184 CO -0.01 0.46 0.61 0.28 0.00 0.00 0.00 179.25 180.59 3mka h VAL 185 N 0.89 1.20 -0.41 0.00 2.07 -0.55 -1.16 116.25 118.29 3mka h VAL 185 Ca 0.21 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3mka h VAL 185 Cb 0.23 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 3mka h VAL 185 CO -0.01 0.22 0.20 0.00 0.02 0.00 0.00 177.57 177.99 3mka h ALA 186 N 1.44 0.54 -0.53 1.67 0.00 -0.63 2.46 119.26 124.21 3mka h ALA 186 Ca 0.35 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3mka h ALA 186 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3mka h ALA 186 CO -0.09 0.10 0.15 0.00 0.00 0.00 0.00 179.25 179.41 3mka h ALA 187 N 1.04 0.70 -0.59 0.00 0.00 -1.07 -0.53 119.26 118.81 3mka h ALA 187 Ca 0.14 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3mka h ALA 187 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3mka h ALA 187 CO -0.02 0.38 -0.00 -0.07 0.00 0.00 0.00 179.25 179.54 3mka h LEU 188 N 0.74 1.00 -1.13 0.00 3.38 -0.86 -3.01 115.31 115.44 3mka h LEU 188 Ca 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3mka h LEU 188 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3mka h LEU 188 CO -0.00 1.05 0.33 0.03 0.09 0.00 0.00 178.44 179.94 3mka h ARG 189 N 0.94 0.94 -3.09 1.13 2.47 0.48 -3.16 114.38 114.10 3mka h ARG 189 Ca 0.17 -0.12 -0.68 0.00 -1.26 0.00 0.00 59.98 58.09 3mka h ARG 189 Cb 0.54 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.69 3mka h ARG 189 CO 0.03 0.72 3.66 0.00 0.56 0.00 0.00 179.97 184.94 3mka n ALA 190 N -2.44 7.29 0.86 0.04 0.00 -0.26 -4.16 120.51 121.83 3mka n ALA 190 Ca 0.06 -3.62 0.12 0.00 0.00 0.00 0.00 53.44 50.01 3mka n ALA 190 Cb 0.12 -3.35 0.19 0.00 0.00 0.00 0.00 19.45 16.42 3mka n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mka n GLY 191 N 3.49 1.08 0.16 0.00 0.00 -1.19 -4.49 105.19 104.23 3mka n GLY 191 Ca 0.74 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 3mka n GLY 191 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mka n SER 192 N 1.23 1.91 0.00 1.61 7.64 -1.26 -5.08 113.62 119.67 3mka n SER 192 Ca 0.16 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.37 3mka n SER 192 Cb 0.56 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3mka n SER 192 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mka n GLY 204 N 1.33 0.27 0.03 0.23 0.00 -1.26 -5.13 105.19 100.65 3mka n GLY 204 Ca -0.48 -1.28 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 3mka n GLY 204 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mka n VAL 205 N 8.81 0.35 0.36 1.61 0.31 -1.26 -4.54 118.33 123.96 3mka n VAL 205 Ca 0.00 -0.22 0.12 0.00 -0.01 0.00 0.00 64.34 64.23 3mka n VAL 205 Cb 0.00 -0.81 0.52 0.00 -0.91 0.00 0.00 33.84 32.64 3mka n VAL 205 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mka h ALA 206 N 0.27 1.00 -0.50 3.52 0.00 -1.97 -1.41 119.26 120.17 3mka h ALA 206 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3mka h ALA 206 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mka h ALA 206 CO 0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 3mka n SER 207 N -2.30 2.86 -4.35 0.00 3.41 -1.26 -4.51 113.62 107.48 3mka n SER 207 Ca 0.02 -1.97 -0.20 0.00 -0.26 0.00 0.00 58.87 56.45 3mka n SER 207 Cb 0.21 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.10 2.50 -0.11 1.04 1.02 -0.53 -1.63 118.68 119.87 3mka s LEU 208 Ca 0.36 -0.94 -0.01 0.00 0.02 0.00 0.00 54.13 53.56 3mka s LEU 208 Cb 0.19 -0.77 0.03 0.00 0.02 0.00 0.00 46.19 45.67 3mka s LEU 208 CO 0.26 -0.09 -0.03 -0.70 0.02 0.00 0.00 176.35 175.81 3mka s GLU 209 N -3.23 1.02 0.02 1.70 2.12 -0.26 -4.66 118.70 115.40 3mka s GLU 209 Ca 0.20 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.41 3mka s GLU 209 Cb -0.03 -1.45 -0.02 0.00 0.26 0.00 0.00 34.13 32.89 3mka s GLU 209 CO 0.07 -0.35 -0.13 0.08 -0.54 0.00 0.00 175.26 174.39 3mka s VAL 210 N 1.83 1.00 0.14 3.70 1.01 -1.26 -1.64 120.40 125.17 3mka s VAL 210 Ca 0.04 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 3mka s VAL 210 Cb -0.13 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.44 3mka s VAL 210 CO -0.07 0.11 0.68 0.00 0.00 0.00 0.00 175.10 175.82 3mka s ALA 211 N -0.60 -1.61 0.09 5.51 0.00 -0.87 -1.29 121.76 123.00 3mka s ALA 211 Ca 0.02 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3mka s ALA 211 Cb -0.06 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3mka s ALA 211 CO 0.00 -0.79 -0.07 0.14 0.00 0.00 0.00 175.76 175.05 3mka s VAL 212 N -3.63 0.69 -0.69 0.00 -7.23 0.12 -0.65 120.40 109.01 3mka s VAL 212 Ca 0.03 -1.86 -0.09 0.00 -1.81 0.00 0.00 61.98 58.25 3mka s VAL 212 Cb -0.01 -1.59 0.18 0.00 0.56 0.00 0.00 36.38 35.51 3mka s VAL 212 CO -0.10 -0.83 0.57 -0.76 -0.31 0.00 0.00 175.10 173.67 3mka s LEU 213 N -2.92 5.97 -0.88 1.32 1.43 -0.32 -0.77 118.68 122.52 3mka s LEU 213 Ca 0.10 -2.64 -0.25 0.00 -1.03 0.00 0.00 54.13 50.31 3mka s LEU 213 Cb 0.04 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.25 3mka s LEU 213 CO -0.04 -0.51 1.49 -0.62 0.23 0.00 0.00 176.35 176.90 3mka s ASP 214 N 1.64 6.11 0.01 2.29 2.15 0.49 -2.61 116.67 126.76 3mka s ASP 214 Ca 0.16 -0.87 0.01 0.00 0.43 0.00 0.00 52.55 52.28 3mka s ASP 214 Cb -0.17 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 39.93 3mka s ASP 214 CO -0.05 -1.85 0.93 0.00 -0.17 0.00 0.00 175.17 174.03 3mka n ALA 215 N 10.03 0.81 1.33 3.66 0.00 -1.16 -0.05 120.51 135.12 3mka n ALA 215 Ca 0.23 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.81 3mka n ALA 215 Cb 0.50 -0.82 0.40 0.00 0.00 0.00 0.00 19.45 19.53 3mka n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mka n ASN 216 N -1.44 1.93 -4.80 0.00 5.15 -1.26 -4.43 115.26 110.42 3mka n ASN 216 Ca -0.00 -1.65 -0.36 0.00 -0.60 0.00 0.00 54.58 51.97 3mka n ASN 216 Cb 0.10 -0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.27 3mka n ASN 216 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mka s ARG 217 N -1.97 4.43 0.07 1.20 1.81 0.92 -4.99 118.95 120.42 3mka s ARG 217 Ca 0.35 1.20 -0.33 0.00 -1.72 0.00 0.00 55.73 55.23 3mka s ARG 217 Cb 0.21 -2.63 -0.18 0.00 -0.45 0.00 0.00 34.95 31.90 3mka s ARG 217 CO 0.32 0.20 1.62 -1.00 -0.68 0.00 0.00 175.30 175.76 3mka h PRO 218 N 2.82 -0.88 0.00 3.54 0.13 -1.89 -3.39 132.00 132.33 3mka h PRO 218 Ca -0.48 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3mka h PRO 218 Cb 1.19 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3mka h PRO 218 CO 0.64 -0.59 0.00 -2.13 -0.23 0.00 0.00 178.00 175.69 3mka n ARG 219 N -5.50 0.00 -2.42 0.86 0.63 -1.26 -4.28 116.66 104.68 3mka n ARG 219 Ca -0.13 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.41 3mka n ARG 219 Cb 0.38 -0.01 -0.03 0.00 0.45 0.00 0.00 32.46 33.25 3mka n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3mka s ARG 220 N -0.83 3.18 0.53 -0.14 0.52 -1.26 -4.41 118.95 116.54 3mka s ARG 220 Ca 0.00 -0.43 0.19 0.00 -0.52 0.00 0.00 55.73 54.96 3mka s ARG 220 Cb 0.00 -4.72 1.37 0.00 0.52 0.00 0.00 34.95 32.11 3mka s ARG 220 CO 0.00 -2.40 2.16 0.00 0.02 0.00 0.00 175.30 175.09 3mka h ALA 221 N 10.78 1.94 -2.44 2.13 0.00 -1.08 -3.44 119.26 127.14 3mka h ALA 221 Ca -0.07 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.31 3mka h ALA 221 Cb 1.05 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.85 3mka h ALA 221 CO 1.32 -0.02 0.92 0.12 0.00 0.00 0.00 179.25 181.59 3mka s PHE 222 N -5.00 2.65 -0.06 0.00 5.36 -1.26 -0.37 117.98 119.31 3mka s PHE 222 Ca -0.05 0.53 -0.02 0.00 -0.96 0.00 0.00 56.93 56.43 3mka s PHE 222 Cb 0.17 -3.85 0.04 0.00 -0.34 0.00 0.00 43.02 39.03 3mka s PHE 222 CO 0.65 -3.32 0.12 1.03 -1.46 0.00 0.00 175.22 172.25 3mka s ARG 223 N 2.36 0.07 -0.15 10.12 0.52 0.05 -4.96 118.95 126.96 3mka s ARG 223 Ca 0.70 0.34 -0.19 0.00 -0.52 0.00 0.00 55.73 56.06 3mka s ARG 223 Cb -0.37 -0.19 -0.04 0.00 0.52 0.00 0.00 34.95 34.87 3mka s ARG 223 CO 0.30 -0.16 0.53 1.03 0.02 0.00 0.00 175.30 177.02 3mka s ARG 224 N 1.14 4.29 -0.45 3.54 0.52 -1.26 0.12 118.95 126.85 3mka s ARG 224 Ca -0.09 0.50 -0.18 0.00 -0.52 0.00 0.00 55.73 55.44 3mka s ARG 224 Cb -0.12 -3.50 0.04 0.00 0.52 0.00 0.00 34.95 31.89 3mka s ARG 224 CO -0.05 -0.00 0.49 0.42 0.02 0.00 0.00 175.30 176.18 3mka s ILE 225 N 1.13 5.04 0.18 1.52 1.01 -0.41 -4.96 121.20 124.71 3mka s ILE 225 Ca 0.27 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.57 3mka s ILE 225 Cb -0.16 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 3mka s ILE 225 CO 0.11 -0.54 -0.17 0.28 0.00 0.00 0.00 174.94 174.61 3mka s THR 226 N 2.24 1.84 0.00 2.92 -1.32 -1.26 -4.32 115.64 115.73 3mka s THR 226 Ca 0.13 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.58 3mka s THR 226 Cb -0.18 -1.92 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 3mka s THR 226 CO 0.13 -0.39 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 3mka n GLY 227 N 0.07 3.49 0.21 6.08 0.00 -1.26 -3.15 105.19 110.64 3mka n GLY 227 Ca -0.11 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 3mka n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mka h SER 228 N 0.00 0.31 -0.85 1.61 0.02 -2.00 -2.42 113.55 110.22 3mka h SER 228 Ca 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3mka h SER 228 Cb 0.00 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 3mka h SER 228 CO 0.00 0.21 0.48 0.00 -1.14 0.00 0.00 176.83 176.38 3mka h ALA 229 N 1.32 1.09 -0.76 3.77 0.00 -1.96 -2.43 119.26 120.29 3mka h ALA 229 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3mka h ALA 229 Cb 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3mka h ALA 229 CO -0.21 0.59 0.28 1.25 0.00 0.00 0.00 179.25 181.16 3mka h LEU 230 N 1.18 1.07 -0.84 0.00 5.85 -1.55 -2.53 115.31 118.49 3mka h LEU 230 Ca 0.30 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3mka h LEU 230 Cb 0.01 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 3mka h LEU 230 CO -0.05 0.96 0.49 -0.61 -0.34 0.00 0.00 178.44 178.89 3mka h GLN 231 N 1.12 1.14 -0.64 1.25 5.75 -0.99 -0.80 115.11 121.94 3mka h GLN 231 Ca 0.25 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3mka h GLN 231 Cb 0.25 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 3mka h GLN 231 CO -0.02 0.82 0.32 0.00 -2.65 0.00 0.00 178.83 177.30 3mka h ALA 232 N 1.26 0.82 -0.71 3.38 0.00 -1.12 -2.30 119.26 120.61 3mka h ALA 232 Ca 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3mka h ALA 232 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3mka h ALA 232 CO -0.05 0.37 0.16 -0.07 0.00 0.00 0.00 179.25 179.66 3mka h LEU 233 N 0.88 1.08 -0.86 0.00 3.38 -1.01 -2.97 115.31 115.82 3mka h LEU 233 Ca 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3mka h LEU 233 Cb 0.09 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3mka h LEU 233 CO -0.03 1.04 0.38 0.25 0.09 0.00 0.00 178.44 180.18 3mka h LEU 234 N 1.08 1.10 -0.97 1.67 7.12 -0.89 -3.45 115.31 120.96 3mka h LEU 234 Ca 0.22 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.09 3mka h LEU 234 Cb 0.39 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 3mka h LEU 234 CO 0.01 0.94 0.00 0.52 -0.13 0.00 0.00 178.44 179.77