#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s PRO 4 N 0.00 1.00 0.44 -1.08 0.04 -1.26 -5.16 135.00 128.99 3mka s PRO 4 Ca 0.00 -1.36 -0.25 0.00 0.04 0.00 0.00 61.00 59.43 3mka s PRO 4 Cb 0.00 -0.62 -0.08 0.00 0.04 0.00 0.00 34.50 33.84 3mka s PRO 4 CO 0.00 0.08 1.35 0.71 0.04 0.00 0.00 177.00 179.18 3mka s TYR 5 N -3.00 2.62 0.06 0.56 2.02 -1.26 -5.04 117.35 113.31 3mka s TYR 5 Ca 0.13 1.36 0.04 0.00 -0.37 0.00 0.00 57.07 58.24 3mka s TYR 5 Cb 0.01 -3.76 -0.03 0.00 -0.40 0.00 0.00 41.96 37.78 3mka s TYR 5 CO 0.01 -2.46 -0.13 -0.59 -1.57 0.00 0.00 175.55 170.81 3mka s PHE 6 N -1.26 1.08 0.62 2.71 -0.12 -1.26 -5.15 117.98 114.60 3mka s PHE 6 Ca 0.61 -0.47 -0.15 0.00 -0.05 0.00 0.00 56.93 56.86 3mka s PHE 6 Cb -0.40 -0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 41.36 3mka s PHE 6 CO 0.50 0.02 1.08 0.96 -0.05 0.00 0.00 175.22 177.73 3mka s ILE 7 N -1.29 3.61 0.23 -4.49 -4.36 -1.26 -4.95 121.20 108.67 3mka s ILE 7 Ca -0.04 0.75 -0.31 0.00 -0.26 0.00 0.00 60.65 60.79 3mka s ILE 7 Cb -0.10 -3.28 -0.11 0.00 1.25 0.00 0.00 42.46 40.22 3mka s ILE 7 CO 0.02 -0.46 1.55 -0.94 0.24 0.00 0.00 174.94 175.36 3mka s SER 8 N -2.73 6.53 0.24 4.36 1.04 -1.26 -4.90 113.70 116.99 3mka s SER 8 Ca 0.65 2.74 -0.04 0.00 0.48 0.00 0.00 55.95 59.77 3mka s SER 8 Cb -0.18 -2.61 0.26 0.00 0.10 0.00 0.00 66.02 63.59 3mka s SER 8 CO 0.39 -0.83 1.75 -0.65 0.98 0.00 0.00 173.24 174.88 3mka h PRO 9 N 5.81 0.95 0.05 4.02 0.11 -2.00 -3.09 132.00 137.85 3mka h PRO 9 Ca -0.45 -0.23 0.03 0.00 0.11 0.00 0.00 66.00 65.46 3mka h PRO 9 Cb 1.21 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3mka h PRO 9 CO 0.85 0.88 -0.28 1.49 -0.21 0.00 0.00 178.00 180.73 3mka h GLU 10 N 0.89 -0.43 -0.65 1.05 4.57 -2.00 -0.72 114.58 117.29 3mka h GLU 10 Ca 0.18 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3mka h GLU 10 Cb 0.39 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 3mka h GLU 10 CO 0.01 -0.29 0.14 1.96 -1.18 0.00 0.00 179.01 179.65 3mka h GLN 11 N -0.45 1.06 -0.37 1.92 4.20 -1.97 -2.08 115.11 117.42 3mka h GLN 11 Ca 0.05 -0.27 0.08 0.00 0.06 0.00 0.00 58.65 58.57 3mka h GLN 11 Cb 0.51 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 3mka h GLN 11 CO -0.20 0.96 -0.12 0.00 -0.67 0.00 0.00 178.83 178.80 3mka h ALA 12 N 1.05 0.21 -0.14 3.87 0.00 -1.42 0.12 119.26 122.96 3mka h ALA 12 Ca 0.20 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.30 3mka h ALA 12 Cb 0.39 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3mka h ALA 12 CO 0.01 -0.48 -0.27 1.98 0.00 0.00 0.00 179.25 180.49 3mka h MET 13 N -0.03 -0.32 -0.15 0.00 -1.53 -0.91 -2.22 114.93 109.78 3mka h MET 13 Ca 0.18 0.02 0.02 0.00 -3.44 0.00 0.00 59.70 56.48 3mka h MET 13 Cb 0.31 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.41 3mka h MET 13 CO -0.40 -0.21 0.02 0.00 0.14 0.00 0.00 176.91 176.46 3mka h ARG 14 N -0.33 0.08 -0.88 0.39 2.47 -0.53 -1.83 114.38 113.75 3mka h ARG 14 Ca 0.10 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3mka h ARG 14 Cb 0.49 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.75 3mka h ARG 14 CO -0.33 0.05 0.54 0.93 0.56 0.00 0.00 179.97 181.73 3mka h GLU 15 N 0.08 1.18 -0.01 0.04 5.08 -0.61 -0.29 114.58 120.05 3mka h GLU 15 Ca 0.07 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3mka h GLU 15 Cb 0.06 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3mka h GLU 15 CO -0.10 0.82 -0.01 0.00 -1.00 0.00 0.00 179.01 178.73 3mka h ARG 16 N 1.20 0.03 -0.76 2.33 3.08 -1.33 -1.81 114.38 117.11 3mka h ARG 16 Ca 0.32 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.47 3mka h ARG 16 Cb -0.07 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.90 3mka h ARG 16 CO -0.06 0.43 0.37 1.03 -1.07 0.00 0.00 179.97 180.67 3mka h SER 17 N -0.38 0.46 -0.06 7.04 0.87 -1.04 -2.12 113.55 118.32 3mka h SER 17 Ca 0.00 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3mka h SER 17 Cb 0.42 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3mka h SER 17 CO 0.00 0.23 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.20 3mka h GLU 18 N 0.59 0.11 -0.94 2.24 4.39 -0.95 -1.38 114.58 118.62 3mka h GLU 18 Ca 0.39 -0.04 0.17 0.00 0.34 0.00 0.00 59.36 60.23 3mka h GLU 18 Cb 0.49 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.03 3mka h GLU 18 CO -0.32 0.40 0.54 1.25 -1.16 0.00 0.00 179.01 179.72 3mka h LEU 19 N -0.20 0.70 0.24 1.33 6.46 -1.04 0.87 115.31 123.67 3mka h LEU 19 Ca 0.02 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 3mka h LEU 19 Cb 0.35 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 3mka h LEU 19 CO 0.00 0.27 -0.12 0.00 -0.62 0.00 0.00 178.44 177.98 3mka h ALA 20 N 1.60 -0.32 -0.47 1.25 0.00 -1.29 -2.61 119.26 117.42 3mka h ALA 20 Ca 0.53 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.33 3mka h ALA 20 Cb 0.77 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 3mka h ALA 20 CO -0.37 -0.42 -0.20 -0.09 0.00 0.00 0.00 179.25 178.18 3mka h ARG 21 N -0.85 -0.09 -0.56 0.00 2.43 -0.69 -1.19 114.38 113.42 3mka h ARG 21 Ca -0.03 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3mka h ARG 21 Cb 0.51 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 3mka h ARG 21 CO 0.05 -0.06 0.28 0.87 -1.51 0.00 0.00 179.97 179.60 3mka h LYS 22 N -0.10 0.52 -0.51 0.20 1.57 -0.91 0.74 116.57 118.09 3mka h LYS 22 Ca 0.22 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 3mka h LYS 22 Cb 0.44 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3mka h LYS 22 CO -0.53 0.35 0.30 0.78 -0.57 0.00 0.00 179.45 179.78 3mka h GLY 23 N 0.54 0.72 0.79 3.86 0.00 -0.87 -1.19 103.07 106.93 3mka h GLY 23 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3mka h GLY 23 CO -0.18 0.19 -0.10 -2.22 0.00 0.00 0.00 176.54 174.23 3mka h ILE 24 N 0.60 0.88 -1.15 2.60 2.04 -0.67 -2.69 117.51 119.12 3mka h ILE 24 Ca 0.21 -0.42 0.33 0.00 1.00 0.00 0.00 64.86 65.98 3mka h ILE 24 Cb 0.03 1.13 -0.10 0.00 -0.74 0.00 0.00 36.82 37.14 3mka h ILE 24 CO -0.10 0.10 0.75 0.00 0.00 0.00 0.00 178.15 178.90 3mka h ALA 25 N 0.28 2.48 -0.10 1.87 0.00 -0.62 0.46 119.26 123.62 3mka h ALA 25 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mka h ALA 25 Cb 0.36 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3mka h ALA 25 CO 0.04 -0.96 0.00 -2.13 0.00 0.00 0.00 179.25 176.20 3mka n ARG 26 N -4.61 1.34 -3.70 0.00 0.63 -0.47 -3.47 116.66 106.38 3mka n ARG 26 Ca 0.29 -0.52 -0.21 0.00 -0.92 0.00 0.00 57.85 56.49 3mka n ARG 26 Cb 1.10 -1.27 -0.03 0.00 0.45 0.00 0.00 32.46 32.70 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 -1.87 3.94 0.99 5.13 0.00 0.15 -4.92 121.76 125.18 3mka s ALA 27 Ca 0.24 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.32 3mka s ALA 27 Cb 0.12 -1.07 0.19 0.00 0.00 0.00 0.00 23.12 22.35 3mka s ALA 27 CO 0.19 -0.11 1.11 0.15 0.00 0.00 0.00 175.76 177.10 3mka s LYS 28 N -4.06 0.45 0.20 0.00 -0.14 -1.26 -1.12 119.74 113.82 3mka s LYS 28 Ca 0.44 1.37 0.08 0.00 -1.36 0.00 0.00 55.97 56.50 3mka s LYS 28 Cb -0.04 -1.67 -0.04 0.00 -1.68 0.00 0.00 37.83 34.39 3mka s LYS 28 CO 0.27 -2.96 0.00 -1.12 -0.76 0.00 0.00 175.35 170.78 3mka s SER 29 N -2.61 4.70 0.01 2.83 0.01 -1.26 -3.86 113.70 113.53 3mka s SER 29 Ca 0.67 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.46 3mka s SER 29 Cb -0.23 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.02 3mka s SER 29 CO 0.60 0.06 -0.03 -0.69 0.41 0.00 0.00 173.24 173.59 3mka s VAL 30 N -1.91 0.16 0.04 3.43 1.01 0.80 -1.49 120.40 122.44 3mka s VAL 30 Ca 0.29 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3mka s VAL 30 Cb -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 3mka s VAL 30 CO 0.19 -0.27 -0.10 0.68 0.00 0.00 0.00 175.10 175.61 3mka s VAL 31 N -0.86 0.71 -0.02 2.92 -7.23 0.77 -1.41 120.40 115.29 3mka s VAL 31 Ca -0.08 -0.97 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 3mka s VAL 31 Cb -0.06 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.18 3mka s VAL 31 CO -0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 175.10 174.57 3mka s ALA 32 N -1.07 0.33 -0.01 1.32 0.00 -0.08 -0.96 121.76 121.29 3mka s ALA 32 Ca -0.05 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 3mka s ALA 32 Cb -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3mka s ALA 32 CO 0.01 -0.02 0.17 -0.48 0.00 0.00 0.00 175.76 175.44 3mka s LEU 33 N 0.69 1.40 0.40 0.00 0.05 -0.78 0.36 118.68 120.80 3mka s LEU 33 Ca -0.07 -0.05 -0.25 0.00 0.05 0.00 0.00 54.13 53.81 3mka s LEU 33 Cb -0.10 0.76 -0.09 0.00 -2.05 0.00 0.00 46.19 44.71 3mka s LEU 33 CO -0.01 -0.32 1.10 0.00 -0.55 0.00 0.00 176.35 176.57 3mka s ALA 34 N -1.09 3.11 0.31 1.48 0.00 0.24 -1.82 121.76 123.99 3mka s ALA 34 Ca -0.12 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 3mka s ALA 34 Cb -0.06 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3mka s ALA 34 CO 0.02 -0.36 0.66 1.52 0.00 0.00 0.00 175.76 177.59 3mka s TYR 35 N -1.53 0.15 0.27 0.00 -0.85 0.56 -4.72 117.35 111.23 3mka s TYR 35 Ca 0.57 -0.63 -0.04 0.00 -0.52 0.00 0.00 57.07 56.46 3mka s TYR 35 Cb -0.26 0.55 0.35 0.00 0.38 0.00 0.00 41.96 42.98 3mka s TYR 35 CO 0.33 -1.27 1.92 0.00 -1.52 0.00 0.00 175.55 175.01 3mka h ALA 36 N 2.07 1.35 0.00 9.51 0.00 -1.70 -0.21 119.26 130.28 3mka h ALA 36 Ca -0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3mka h ALA 36 Cb 1.25 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3mka h ALA 36 CO 0.32 0.57 -0.07 0.78 0.00 0.00 0.00 179.25 180.85 3mka h GLY 37 N 1.25 0.00 0.00 0.00 0.00 -1.94 -3.48 103.07 98.90 3mka h GLY 37 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 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 -0.66 0.87 3.21 4.60 0.00 -0.09 -2.58 105.19 110.54 3mka n GLY 38 Ca -0.02 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3mka n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mka s VAL 39 N 0.00 1.86 -0.08 1.61 1.01 -1.09 -0.32 120.40 123.39 3mka s VAL 39 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 3mka s VAL 39 Cb 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3mka s VAL 39 CO 0.00 0.52 -0.05 -0.22 0.00 0.00 0.00 175.10 175.35 3mka s LEU 40 N 0.10 3.28 -0.21 3.92 2.96 -0.76 -0.89 118.68 127.09 3mka s LEU 40 Ca -0.09 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3mka s LEU 40 Cb -0.15 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3mka s LEU 40 CO 0.05 0.35 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.93 3mka s PHE 41 N -0.76 2.92 -0.07 5.38 0.08 -0.05 -1.86 117.98 123.63 3mka s PHE 41 Ca 0.12 -1.65 0.01 0.00 0.12 0.00 0.00 56.93 55.52 3mka s PHE 41 Cb -0.11 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3mka s PHE 41 CO 0.02 -0.78 -0.09 0.08 -0.10 0.00 0.00 175.22 174.35 3mka s VAL 42 N 1.29 0.98 0.01 -0.44 1.01 -0.13 -2.30 120.40 120.82 3mka s VAL 42 Ca 0.02 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3mka s VAL 42 Cb -0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3mka s VAL 42 CO -0.09 0.33 -0.06 0.00 0.00 0.00 0.00 175.10 175.28 3mka s ALA 43 N 0.97 0.49 -0.17 5.51 0.00 -0.57 -0.16 121.76 127.83 3mka s ALA 43 Ca -0.09 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 3mka s ALA 43 Cb -0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3mka s ALA 43 CO 0.00 0.06 1.14 -1.83 0.00 0.00 0.00 175.76 175.13 3mka s GLU 44 N -0.62 4.28 -0.25 0.00 -1.05 -0.55 -0.73 118.70 119.78 3mka s GLU 44 Ca -0.02 1.51 -0.02 0.00 -0.15 0.00 0.00 54.97 56.29 3mka s GLU 44 Cb -0.05 -3.66 0.13 0.00 -0.44 0.00 0.00 34.13 30.11 3mka s GLU 44 CO 0.00 -0.60 0.36 1.21 0.95 0.00 0.00 175.26 177.18 3mka s ASN 45 N 1.50 0.44 0.17 0.83 3.84 0.73 -4.49 114.94 117.96 3mka s ASN 45 Ca 0.50 0.08 -0.11 0.00 0.21 0.00 0.00 52.86 53.55 3mka s ASN 45 Cb -0.19 1.01 0.06 0.00 -0.55 0.00 0.00 41.25 41.58 3mka s ASN 45 CO 0.13 -0.31 1.65 1.55 -2.79 0.00 0.00 177.10 177.33 3mka h PRO 46 N 8.20 0.98 -7.07 0.43 0.13 -1.82 -3.30 132.00 129.55 3mka h PRO 46 Ca -0.18 -0.28 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 3mka h PRO 46 Cb 1.15 -0.11 0.12 0.00 0.13 0.00 0.00 31.00 32.29 3mka h PRO 46 CO 0.28 0.95 0.52 0.45 -0.23 0.00 0.00 178.00 179.97 3mka s SER 47 N -6.40 5.31 0.00 1.44 0.15 -1.26 -4.77 113.70 108.16 3mka s SER 47 Ca -0.12 2.53 0.16 0.00 0.70 0.00 0.00 55.95 59.22 3mka s SER 47 Cb 0.13 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.73 3mka s SER 47 CO 0.83 -1.52 0.77 -1.14 1.20 0.00 0.00 173.24 173.38 3mka n ARG 48 N -1.26 1.71 -0.01 5.44 0.63 -1.26 -4.58 116.66 117.33 3mka n ARG 48 Ca 0.12 -0.40 0.03 0.00 -0.92 0.00 0.00 57.85 56.68 3mka n ARG 48 Cb 0.48 -1.27 -0.08 0.00 0.45 0.00 0.00 32.46 32.04 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 -0.77 2.73 -4.38 6.15 7.64 -1.26 -4.97 113.62 118.76 3mka n SER 49 Ca 0.05 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 3mka n SER 49 Cb 0.30 1.32 -0.11 0.00 -1.01 0.00 0.00 64.21 64.70 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 -3.87 4.72 0.47 -3.43 1.43 -1.26 -5.08 118.68 111.66 3mka s LEU 50 Ca -0.04 -0.97 -0.20 0.00 -1.03 0.00 0.00 54.13 51.90 3mka s LEU 50 Cb 0.06 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 3mka s LEU 50 CO 0.41 -0.38 0.98 0.00 0.23 0.00 0.00 176.35 177.59 3mka s GLN 51 N 1.57 4.02 0.00 1.70 -2.07 -1.26 -4.87 119.66 118.74 3mka s GLN 51 Ca 0.02 1.15 0.00 0.00 -1.82 0.00 0.00 55.36 54.71 3mka s GLN 51 Cb -0.19 -2.14 0.00 0.00 -1.09 0.00 0.00 33.01 29.59 3mka s GLN 51 CO 0.07 -0.22 0.12 1.63 -1.32 0.00 0.00 175.29 175.57 3mka n LYS 52 N -0.98 2.06 -4.51 9.60 5.02 -1.26 -5.00 118.16 123.09 3mka n LYS 52 Ca 0.08 -0.12 -0.24 0.00 -2.02 0.00 0.00 58.31 56.01 3mka n LYS 52 Cb 0.54 -0.50 -0.17 0.00 -0.02 0.00 0.00 35.03 34.88 3mka n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mka s ILE 53 N -0.33 1.02 0.16 -0.18 1.01 -1.26 -0.74 121.20 120.88 3mka s ILE 53 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 3mka s ILE 53 Cb 0.00 -0.95 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 3mka s ILE 53 CO 0.00 0.33 0.31 -0.44 0.00 0.00 0.00 174.94 175.14 3mka s SER 54 N 0.71 0.01 0.04 3.58 0.01 0.52 -5.00 113.70 113.56 3mka s SER 54 Ca -0.14 -0.81 -0.22 0.00 1.31 0.00 0.00 55.95 56.09 3mka s SER 54 Cb -0.16 0.45 -0.06 0.00 0.21 0.00 0.00 66.02 66.46 3mka s SER 54 CO 0.03 -0.90 0.66 -0.70 0.41 0.00 0.00 173.24 172.73 3mka s GLU 55 N -3.95 4.38 -0.23 12.44 2.12 -1.26 -0.69 118.70 131.50 3mka s GLU 55 Ca 0.15 0.87 -0.11 0.00 0.36 0.00 0.00 54.97 56.25 3mka s GLU 55 Cb 0.03 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.99 3mka s GLU 55 CO -0.01 0.40 -0.29 1.28 -0.54 0.00 0.00 175.26 176.09 3mka n LEU 56 N 2.51 1.74 0.00 2.70 4.77 0.15 -4.86 117.00 124.01 3mka n LEU 56 Ca -0.06 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 3mka n LEU 56 Cb 0.51 -0.69 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 3mka n LEU 56 CO 0.44 0.51 0.09 0.00 -1.33 0.00 0.00 177.39 177.11 3mka n TYR 57 N -3.98 -0.97 -0.36 -1.77 9.36 -0.85 -4.70 117.16 113.89 3mka n TYR 57 Ca -0.46 -0.98 -0.09 0.00 3.32 0.00 0.00 57.90 59.69 3mka n TYR 57 Cb 0.83 0.26 -0.07 0.00 -0.63 0.00 0.00 39.34 39.74 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 0.85 -1.92 -0.16 2.98 3.32 -1.95 -2.59 116.42 116.95 3mka h ASP 58 Ca -0.12 0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3mka h ASP 58 Cb 0.51 0.87 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 3mka h ASP 58 CO 0.16 -0.27 -0.12 0.54 -1.72 0.00 0.00 179.24 177.82 3mka n ARG 59 N -5.33 1.88 -4.13 3.56 5.12 -1.26 -0.63 116.66 115.88 3mka n ARG 59 Ca 0.03 -2.96 -0.27 0.00 -1.93 0.00 0.00 57.85 52.72 3mka n ARG 59 Cb 0.31 -1.69 -0.17 0.00 -1.16 0.00 0.00 32.46 29.75 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 -3.04 1.22 0.32 1.55 1.01 -0.98 -1.83 120.40 118.65 3mka s VAL 60 Ca 0.39 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.02 3mka s VAL 60 Cb 0.35 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 3mka s VAL 60 CO 0.01 0.39 0.05 -0.83 0.00 0.00 0.00 175.10 174.73 3mka s GLY 61 N 1.38 1.91 -0.02 4.51 0.00 0.77 -0.67 107.32 115.20 3mka s GLY 61 Ca -0.00 -1.83 0.02 0.00 0.00 0.00 0.00 44.72 42.91 3mka s GLY 61 CO -0.06 -1.81 -0.08 -0.12 0.00 0.00 0.00 173.10 171.04 3mka s PHE 62 N -2.44 0.80 -0.02 1.90 5.36 0.14 -0.68 117.98 123.04 3mka s PHE 62 Ca 0.35 -0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 56.12 3mka s PHE 62 Cb -0.03 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 42.10 3mka s PHE 62 CO 0.21 -0.06 0.05 0.00 -1.46 0.00 0.00 175.22 173.96 3mka s ALA 63 N 0.05 -0.12 0.12 11.12 0.00 -0.48 -0.35 121.76 132.10 3mka s ALA 63 Ca -0.00 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 3mka s ALA 63 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3mka s ALA 63 CO -0.00 -0.04 0.16 0.00 0.00 0.00 0.00 175.76 175.88 3mka s ALA 64 N -0.13 0.23 -0.00 0.00 0.00 0.08 -0.35 121.76 121.59 3mka s ALA 64 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3mka s ALA 64 Cb -0.01 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 3mka s ALA 64 CO 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 175.76 175.21 3mka s ALA 65 N -3.96 0.09 0.00 0.00 0.00 -0.45 -4.86 121.76 112.58 3mka s ALA 65 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3mka s ALA 65 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3mka s ALA 65 CO -0.04 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3mka n GLY 66 N 3.04 0.67 3.66 0.00 0.00 -1.26 -0.81 105.19 110.48 3mka n GLY 66 Ca -0.12 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.86 4.19 0.09 1.61 2.20 -0.27 -4.91 119.74 120.79 3mka s LYS 67 Ca 0.00 1.58 -0.29 0.00 -0.36 0.00 0.00 55.97 56.90 3mka s LYS 67 Cb 0.00 -3.77 -0.12 0.00 -1.51 0.00 0.00 37.83 32.43 3mka s LYS 67 CO 0.00 -0.75 1.47 0.35 -0.36 0.00 0.00 175.35 176.05 3mka h PHE 68 N 8.28 -1.32 -1.07 4.03 3.57 -1.96 -1.39 116.94 127.09 3mka h PHE 68 Ca -0.26 0.04 0.30 0.00 3.53 0.00 0.00 57.97 61.58 3mka h PHE 68 Cb 1.10 0.57 -0.05 0.00 2.79 0.00 0.00 35.95 40.35 3mka h PHE 68 CO 0.81 -0.50 0.75 -2.95 -2.23 0.00 0.00 178.31 174.19 3mka h ASN 69 N -0.62 0.10 0.29 0.41 7.08 -1.99 0.16 115.58 121.01 3mka h ASN 69 Ca 0.00 0.02 -0.26 0.00 -3.08 0.00 0.00 56.30 52.97 3mka h ASN 69 Cb 0.63 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.89 3mka h ASN 69 CO -0.27 0.02 -1.11 -0.33 -2.08 0.00 0.00 177.43 173.67 3mka h GLU 70 N 0.09 0.49 0.00 4.14 5.08 -1.78 -3.03 114.58 119.57 3mka h GLU 70 Ca 0.53 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3mka h GLU 70 Cb 1.92 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.37 3mka h GLU 70 CO -0.07 1.24 -0.71 1.97 -1.00 0.00 0.00 179.01 180.44 3mka n PHE 71 N -3.73 0.25 -0.07 4.33 1.16 -0.33 -2.88 117.46 116.19 3mka n PHE 71 Ca -0.10 0.07 -0.15 0.00 -1.87 0.00 0.00 57.45 55.41 3mka n PHE 71 Cb 0.92 -0.42 -0.05 0.00 -1.61 0.00 0.00 39.48 38.32 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 0.89 -0.47 5.98 3.58 -0.87 -1.39 116.42 124.15 3mka h ASP 72 Ca 0.00 -0.54 0.09 0.00 0.42 0.00 0.00 57.03 56.99 3mka h ASP 72 Cb 0.65 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.37 3mka h ASP 72 CO 0.00 1.27 0.04 -1.13 -2.88 0.00 0.00 179.24 176.54 3mka h ASN 73 N 0.55 -0.11 0.67 2.28 -0.73 -1.54 -0.08 115.58 116.63 3mka h ASN 73 Ca 0.01 0.10 -0.08 0.00 1.87 0.00 0.00 56.30 58.20 3mka h ASN 73 Cb 1.12 0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.86 3mka h ASN 73 CO 0.11 -0.02 -0.37 -0.07 -0.37 0.00 0.00 177.43 176.71 3mka h LEU 74 N 0.16 0.00 -0.12 0.34 4.07 -1.39 -2.42 115.31 115.96 3mka h LEU 74 Ca 0.24 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.10 3mka h LEU 74 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 3mka h LEU 74 CO -0.36 0.37 -0.31 -0.09 -1.08 0.00 0.00 178.44 176.98 3mka h ARG 75 N 0.00 0.41 -0.06 1.13 2.43 -0.32 -2.02 114.38 115.95 3mka h ARG 75 Ca -0.00 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3mka h ARG 75 Cb 0.80 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3mka h ARG 75 CO 0.05 0.91 -0.03 0.00 -1.51 0.00 0.00 179.97 179.38 3mka h ARG 76 N -0.01 -0.03 0.00 0.20 3.08 -0.89 -1.61 114.38 115.12 3mka h ARG 76 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3mka h ARG 76 Cb 0.92 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 3mka h ARG 76 CO 0.07 -0.02 -0.09 0.78 -1.07 0.00 0.00 179.97 179.64 3mka h GLY 77 N -0.03 0.00 1.65 0.04 0.00 -1.46 -0.10 103.07 103.17 3mka h GLY 77 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.13 3mka h GLY 77 CO -0.08 0.00 -1.04 -1.33 0.00 0.00 0.00 176.54 174.10 3mka h GLY 78 N 0.68 0.33 1.09 4.60 0.00 -0.72 -1.35 103.07 107.69 3mka h GLY 78 Ca -0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 3mka h GLY 78 CO 0.01 0.59 -0.15 -2.22 0.00 0.00 0.00 176.54 174.77 3mka h ILE 79 N 0.13 1.27 -0.54 2.60 2.04 -0.34 -0.46 117.51 122.22 3mka h ILE 79 Ca -0.09 -1.30 -0.07 0.00 1.00 0.00 0.00 64.86 64.40 3mka h ILE 79 Cb 1.71 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 3mka h ILE 79 CO 0.17 0.46 0.08 1.56 0.00 0.00 0.00 178.15 180.41 3mka h GLN 80 N 0.87 0.90 -0.41 2.37 4.20 -0.95 -1.60 115.11 120.48 3mka h GLN 80 Ca 0.13 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 3mka h GLN 80 Cb 0.72 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3mka h GLN 80 CO 0.05 0.88 0.08 0.35 -0.67 0.00 0.00 178.83 179.52 3mka h PHE 81 N 0.78 0.71 -0.28 2.96 3.57 -1.09 -2.00 116.94 121.60 3mka h PHE 81 Ca 0.16 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3mka h PHE 81 Cb 0.42 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3mka h PHE 81 CO 0.03 0.69 -0.06 0.00 -2.23 0.00 0.00 178.31 176.74 3mka h ALA 82 N 0.94 0.38 -0.67 2.41 0.00 -0.97 -2.03 119.26 119.32 3mka h ALA 82 Ca 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3mka h ALA 82 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3mka h ALA 82 CO 0.01 0.19 0.36 -0.44 0.00 0.00 0.00 179.25 179.37 3mka h ASP 83 N 0.29 0.84 -0.44 0.00 3.32 -1.31 -1.04 116.42 118.07 3mka h ASP 83 Ca 0.07 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3mka h ASP 83 Cb 0.54 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3mka h ASP 83 CO 0.03 0.70 0.08 0.74 -1.72 0.00 0.00 179.24 179.07 3mka h THR 84 N 0.92 1.24 -0.26 0.35 2.02 -1.27 -1.31 112.91 114.60 3mka h THR 84 Ca 0.24 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.42 3mka h THR 84 Cb 0.05 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3mka h THR 84 CO -0.04 0.31 -0.34 0.03 0.37 0.00 0.00 175.52 175.85 3mka h ARG 85 N 0.59 0.56 0.00 6.66 2.47 -1.21 -1.61 114.38 121.84 3mka h ARG 85 Ca 0.14 -0.26 -0.07 0.00 -1.26 0.00 0.00 59.98 58.53 3mka h ARG 85 Cb 0.36 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3mka h ARG 85 CO 0.01 0.83 -0.34 0.78 0.56 0.00 0.00 179.97 181.80 3mka h GLY 86 N 1.04 0.00 0.59 0.04 0.00 -0.95 -1.81 103.07 101.97 3mka h GLY 86 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 3mka h GLY 86 CO 0.07 0.00 -0.58 -1.82 0.00 0.00 0.00 176.54 174.21 3mka h TYR 87 N 0.00 0.45 0.00 5.60 3.20 -1.01 -3.06 116.97 122.15 3mka h TYR 87 Ca -0.00 -0.29 -0.04 0.00 3.14 0.00 0.00 58.73 61.54 3mka h TYR 87 Cb 0.65 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3mka h TYR 87 CO 0.00 1.18 -0.17 0.00 -1.64 0.00 0.00 178.16 177.53 3mka h ALA 88 N 0.15 1.20 -3.00 1.82 0.00 -1.19 -3.43 119.26 114.80 3mka h ALA 88 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mka h ALA 88 Cb 1.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3mka h ALA 88 CO 0.11 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.23 3mka n TYR 89 N -3.58 0.00 -4.03 0.00 4.01 -0.69 -5.09 117.16 107.79 3mka n TYR 89 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 3mka n TYR 89 Cb 0.31 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.48 0.39 7.72 2.15 -1.18 -4.93 116.67 122.31 3mka s ASP 90 Ca 0.00 -0.61 0.18 0.00 0.43 0.00 0.00 52.55 52.55 3mka s ASP 90 Cb 0.00 0.10 1.11 0.00 -0.30 0.00 0.00 42.92 43.83 3mka s ASP 90 CO 0.00 -0.33 1.75 0.03 -0.17 0.00 0.00 175.17 176.45 3mka h ARG 91 N 4.30 0.37 0.00 4.34 3.08 -1.86 0.22 114.38 124.82 3mka h ARG 91 Ca -0.33 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3mka h ARG 91 Cb 1.20 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3mka h ARG 91 CO 0.46 0.25 0.00 -2.13 -1.07 0.00 0.00 179.97 177.47 3mka n ARG 92 N -4.68 0.50 0.00 0.04 3.00 -1.26 -2.45 116.66 111.81 3mka n ARG 92 Ca 0.27 0.04 0.11 0.00 -0.00 0.00 0.00 57.85 58.27 3mka n ARG 92 Cb 0.92 -1.50 0.04 0.00 0.00 0.00 0.00 32.46 31.92 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 -1.10 0.90 -4.70 6.15 8.00 0.76 -4.89 116.55 121.67 3mka n ASP 93 Ca 0.13 -0.77 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 3mka n ASP 93 Cb 0.10 0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 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 -2.94 4.88 0.14 2.53 1.01 -1.03 -5.02 120.40 119.97 3mka s VAL 94 Ca 0.11 1.91 0.06 0.00 0.00 0.00 0.00 61.98 64.05 3mka s VAL 94 Cb 0.17 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3mka s VAL 94 CO 0.77 0.12 -0.13 0.42 0.00 0.00 0.00 175.10 176.28 3mka s THR 95 N 1.37 1.35 0.17 3.92 -4.23 -1.26 -5.02 115.64 111.93 3mka s THR 95 Ca 0.47 -1.83 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 3mka s THR 95 Cb -0.19 -1.64 0.06 0.00 1.34 0.00 0.00 72.50 72.07 3mka s THR 95 CO 0.22 -0.49 1.74 1.23 -0.54 0.00 0.00 174.62 176.78 3mka h GLY 96 N 3.29 0.87 0.07 3.99 0.00 -1.92 -1.87 103.07 107.50 3mka h GLY 96 Ca -0.39 -0.45 0.19 0.00 0.00 0.00 0.00 47.33 46.68 3mka h GLY 96 CO 0.54 0.43 0.50 -0.09 0.00 0.00 0.00 176.54 177.92 3mka h ARG 97 N 0.76 0.60 -0.38 4.80 2.43 -1.95 -0.32 114.38 120.31 3mka h ARG 97 Ca 0.19 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 3mka h ARG 97 Cb 0.15 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3mka h ARG 97 CO -0.02 0.40 -0.35 1.96 -1.51 0.00 0.00 179.97 180.44 3mka h GLN 98 N 0.62 0.88 -0.49 0.20 4.20 -1.77 -1.17 115.11 117.58 3mka h GLN 98 Ca 0.54 -0.44 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 3mka h GLN 98 Cb 0.88 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3mka h GLN 98 CO -0.42 1.09 0.05 -0.07 -0.67 0.00 0.00 178.83 178.81 3mka h LEU 99 N 0.73 0.74 0.19 1.46 -0.00 -0.71 -1.82 115.31 115.89 3mka h LEU 99 Ca 0.07 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 3mka h LEU 99 Cb 0.93 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 3mka h LEU 99 CO 0.09 0.78 -0.09 0.00 -0.00 0.00 0.00 178.44 179.22 3mka h ALA 100 N 1.31 -0.25 -0.98 1.53 0.00 -0.89 -2.13 119.26 117.85 3mka h ALA 100 Ca 0.15 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.07 3mka h ALA 100 Cb 0.39 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 3mka h ALA 100 CO 0.01 -0.51 0.61 -0.97 0.00 0.00 0.00 179.25 178.40 3mka h ASN 101 N -0.52 0.77 -0.25 0.00 -0.73 -1.07 0.26 115.58 114.03 3mka h ASN 101 Ca -0.03 0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.14 3mka h ASN 101 Cb 0.39 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 3mka h ASN 101 CO 0.04 0.33 -0.14 0.58 -0.37 0.00 0.00 177.43 177.87 3mka h VAL 102 N 0.78 1.30 -0.89 2.57 2.07 -1.16 -2.04 116.25 118.88 3mka h VAL 102 Ca 0.53 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3mka h VAL 102 Cb 0.79 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 3mka h VAL 102 CO -0.30 0.39 0.54 1.88 0.02 0.00 0.00 177.57 180.10 3mka h TYR 103 N 0.26 1.17 0.10 1.57 0.05 -0.60 -0.74 116.97 118.79 3mka h TYR 103 Ca 0.05 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.85 3mka h TYR 103 Cb 0.66 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 3mka h TYR 103 CO 0.06 0.78 -0.17 0.00 -1.05 0.00 0.00 178.16 177.78 3mka h ALA 104 N 1.30 -0.29 -1.00 3.88 0.00 -0.87 0.25 119.26 122.53 3mka h ALA 104 Ca 0.32 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3mka h ALA 104 Cb -0.06 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3mka h ALA 104 CO -0.06 -0.70 0.64 0.37 0.00 0.00 0.00 179.25 179.51 3mka h GLN 105 N -0.33 1.13 0.19 0.00 5.75 -1.03 -0.07 115.11 120.75 3mka h GLN 105 Ca 0.02 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3mka h GLN 105 Cb 0.35 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.65 3mka h GLN 105 CO -0.10 0.75 -0.09 1.15 -2.65 0.00 0.00 178.83 177.89 3mka h THR 106 N 1.17 0.85 -0.86 2.39 2.02 -0.43 -1.74 112.91 116.32 3mka h THR 106 Ca 0.43 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 3mka h THR 106 Cb 0.17 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 3mka h THR 106 CO -0.17 0.19 0.52 -0.07 0.37 0.00 0.00 175.52 176.36 3mka h LEU 107 N -0.79 1.03 -0.94 2.58 3.38 -0.47 0.37 115.31 120.47 3mka h LEU 107 Ca -0.03 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 57.98 3mka h LEU 107 Cb 0.52 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 3mka h LEU 107 CO 0.04 0.79 0.58 1.23 0.09 0.00 0.00 178.44 181.17 3mka h GLY 108 N 1.20 1.48 1.14 0.83 0.00 -0.94 0.15 103.07 106.93 3mka h GLY 108 Ca 0.31 -0.40 -0.26 0.00 0.00 0.00 0.00 47.33 46.98 3mka h GLY 108 CO -0.06 0.20 -1.03 -0.84 0.00 0.00 0.00 176.54 174.80 3mka h THR 109 N 0.97 1.31 -0.60 4.70 2.02 -0.46 -2.99 112.91 117.86 3mka h THR 109 Ca 0.44 -2.29 0.02 0.00 0.77 0.00 0.00 66.41 65.35 3mka h THR 109 Cb 0.36 2.53 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 3mka h THR 109 CO -0.23 0.70 0.38 0.40 0.37 0.00 0.00 175.52 177.14 3mka h ILE 110 N 0.27 1.11 -0.70 3.11 2.04 -0.36 0.11 117.51 123.09 3mka h ILE 110 Ca -0.14 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.53 3mka h ILE 110 Cb 1.71 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 3mka h ILE 110 CO 0.20 0.14 0.37 0.15 0.00 0.00 0.00 178.15 179.01 3mka h PHE 111 N 0.77 0.67 0.07 1.37 3.57 -0.75 -1.18 116.94 121.46 3mka h PHE 111 Ca 0.23 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.50 3mka h PHE 111 Cb -0.03 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3mka h PHE 111 CO -0.04 0.28 -1.25 1.15 -2.23 0.00 0.00 178.31 176.21 3mka h THR 112 N 0.65 1.45 0.00 4.41 2.02 -1.30 -3.43 112.91 116.72 3mka h THR 112 Ca 0.33 -3.11 -0.06 0.00 0.77 0.00 0.00 66.41 64.34 3mka h THR 112 Cb 0.29 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 3mka h THR 112 CO -0.23 0.87 -1.28 -0.62 0.37 0.00 0.00 175.52 174.63 3mka n GLU 113 N -3.40 2.59 -0.74 6.66 -0.58 0.35 -5.05 120.64 120.47 3mka n GLU 113 Ca -0.08 -0.01 -0.30 0.00 -0.42 0.00 0.00 57.16 56.36 3mka n GLU 113 Cb 1.00 -1.11 0.25 0.00 -0.57 0.00 0.00 31.44 31.01 3mka n GLU 113 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3mka s GLN 114 N -2.16 -1.63 0.02 3.49 -1.52 -0.46 -4.96 119.66 112.43 3mka s GLN 114 Ca -0.02 0.23 -0.19 0.00 -1.95 0.00 0.00 55.36 53.43 3mka s GLN 114 Cb 0.02 -1.52 -0.24 0.00 -0.22 0.00 0.00 33.01 31.05 3mka s GLN 114 CO 0.18 -4.04 1.11 0.00 -0.25 0.00 0.00 175.29 172.29 3mka h ALA 115 N -2.83 0.08 -4.16 6.09 0.00 -1.97 -3.45 119.26 113.03 3mka h ALA 115 Ca -0.49 -0.59 -0.64 0.00 0.00 0.00 0.00 54.91 53.19 3mka h ALA 115 Cb 1.32 0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.84 3mka h ALA 115 CO 0.38 0.41 -0.87 0.21 0.00 0.00 0.00 179.25 179.39 3mka s LYS 116 N -3.22 2.09 1.04 0.00 2.20 -1.26 -5.13 119.74 115.45 3mka s LYS 116 Ca -0.13 -0.79 -0.14 0.00 -0.36 0.00 0.00 55.97 54.55 3mka s LYS 116 Cb 0.04 -1.86 0.21 0.00 -1.51 0.00 0.00 37.83 34.71 3mka s LYS 116 CO 0.84 0.38 1.12 -1.25 -0.36 0.00 0.00 175.35 176.08 3mka s PRO 117 N -0.24 0.11 -0.08 4.03 0.04 -1.26 -4.90 135.00 132.70 3mka s PRO 117 Ca 0.01 0.24 -0.24 0.00 0.04 0.00 0.00 61.00 61.05 3mka s PRO 117 Cb -0.11 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 3mka s PRO 117 CO 0.02 -2.88 0.73 0.71 0.04 0.00 0.00 177.00 175.61 3mka s TYR 118 N -3.10 3.56 -1.29 0.56 1.51 -1.26 -4.94 117.35 112.40 3mka s TYR 118 Ca 0.67 1.27 -0.10 0.00 -1.01 0.00 0.00 57.07 57.90 3mka s TYR 118 Cb -0.15 -2.84 0.16 0.00 -0.11 0.00 0.00 41.96 39.02 3mka s TYR 118 CO 0.56 0.04 1.87 0.39 -1.11 0.00 0.00 175.55 177.30 3mka n GLU 119 N 3.95 3.56 -3.84 -0.62 1.02 -1.26 -4.72 120.64 118.73 3mka n GLU 119 Ca -0.00 -3.49 -0.10 0.00 -0.02 0.00 0.00 57.16 53.55 3mka n GLU 119 Cb 0.51 -2.96 -0.08 0.00 -0.02 0.00 0.00 31.44 28.90 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 0.66 0.12 -0.01 2.62 -7.23 -1.26 -1.12 120.40 114.19 3mka s VAL 120 Ca 0.40 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 3mka s VAL 120 Cb 0.09 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 35.89 3mka s VAL 120 CO -0.00 -0.56 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.52 3mka s GLU 121 N -3.29 0.14 0.05 4.82 2.12 0.01 -2.96 118.70 119.59 3mka s GLU 121 Ca 0.00 0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.34 3mka s GLU 121 Cb 0.02 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 3mka s GLU 121 CO -0.08 -0.04 -0.03 -0.48 -0.54 0.00 0.00 175.26 174.10 3mka s LEU 122 N 0.38 2.47 -0.09 2.70 0.05 -0.61 -1.34 118.68 122.24 3mka s LEU 122 Ca -0.03 -0.99 0.03 0.00 0.05 0.00 0.00 54.13 53.19 3mka s LEU 122 Cb -0.06 0.21 0.01 0.00 -2.05 0.00 0.00 46.19 44.30 3mka s LEU 122 CO -0.01 -0.60 -0.19 0.00 -0.55 0.00 0.00 176.35 175.00 3mka s VAL 124 N 0.50 2.81 0.04 0.00 1.01 -0.47 -1.38 120.40 122.90 3mka s VAL 124 Ca -0.17 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.18 3mka s VAL 124 Cb -0.17 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3mka s VAL 124 CO 0.06 0.50 -0.24 0.00 0.00 0.00 0.00 175.10 175.43 3mka s ALA 125 N 0.86 2.04 -0.05 5.51 0.00 0.14 -1.24 121.76 129.01 3mka s ALA 125 Ca -0.04 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.76 3mka s ALA 125 Cb -0.15 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.56 3mka s ALA 125 CO -0.00 0.48 -0.04 -2.00 0.00 0.00 0.00 175.76 174.19 3mka s GLU 126 N -1.13 0.89 0.42 0.00 2.12 -0.66 -0.16 118.70 120.17 3mka s GLU 126 Ca 0.10 -0.10 0.08 0.00 0.36 0.00 0.00 54.97 55.41 3mka s GLU 126 Cb -0.09 -0.94 -0.00 0.00 0.26 0.00 0.00 34.13 33.35 3mka s GLU 126 CO 0.02 -0.12 0.48 0.14 -0.54 0.00 0.00 175.26 175.23 3mka s VAL 127 N 1.13 2.85 0.82 3.70 -7.23 -0.76 -1.45 120.40 119.45 3mka s VAL 127 Ca -0.08 -1.16 -0.12 0.00 -1.81 0.00 0.00 61.98 58.82 3mka s VAL 127 Cb -0.14 -3.00 0.08 0.00 0.56 0.00 0.00 36.38 33.88 3mka s VAL 127 CO -0.01 -0.00 1.10 0.00 -0.31 0.00 0.00 175.10 175.88 3mka s ALA 128 N -2.41 2.15 0.53 1.32 0.00 -1.26 -4.87 121.76 117.23 3mka s ALA 128 Ca 0.52 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 3mka s ALA 128 Cb -0.07 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 3mka s ALA 128 CO 0.31 -1.83 1.03 -1.01 0.00 0.00 0.00 175.76 174.26 3mka s HIS 129 N -3.14 3.10 -0.35 0.00 3.76 -1.26 -4.78 115.29 112.61 3mka s HIS 129 Ca 0.61 1.53 -0.42 0.00 -0.15 0.00 0.00 55.06 56.63 3mka s HIS 129 Cb -0.15 -2.98 -0.17 0.00 1.11 0.00 0.00 32.58 30.40 3mka s HIS 129 CO 0.54 -0.82 1.74 0.98 -0.85 0.00 0.00 174.74 176.34 3mka n TYR 130 N -1.51 1.94 0.00 1.40 9.36 -1.26 -0.14 117.16 126.95 3mka n TYR 130 Ca 0.08 0.69 0.00 0.00 3.32 0.00 0.00 57.90 61.99 3mka n TYR 130 Cb 0.53 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 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 4.37 2.98 3.79 2.98 0.00 -1.26 -5.04 105.19 113.00 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 -0.13 0.65 -0.33 1.61 2.02 0.81 -5.03 118.70 118.30 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 -1.80 0.11 0.00 0.10 0.00 0.00 34.13 32.54 3mka s GLU 132 CO 0.00 -2.49 0.14 0.95 0.02 0.00 0.00 175.26 173.89 3mka s THR 133 N -3.37 0.60 -0.01 3.63 -4.23 -1.26 -4.77 115.64 106.22 3mka s THR 133 Ca 0.67 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 3mka s THR 133 Cb -0.11 -1.45 0.01 0.00 1.34 0.00 0.00 72.50 72.28 3mka s THR 133 CO 0.54 -0.77 -0.03 -0.75 -0.54 0.00 0.00 174.62 173.07 3mka s LYS 134 N 1.49 0.30 0.16 3.99 2.20 -1.26 -5.11 119.74 121.52 3mka s LYS 134 Ca 0.12 -0.07 -0.32 0.00 -0.36 0.00 0.00 55.97 55.34 3mka s LYS 134 Cb -0.19 -0.34 -0.10 0.00 -1.51 0.00 0.00 37.83 35.69 3mka s LYS 134 CO -0.21 0.02 1.60 1.03 -0.36 0.00 0.00 175.35 177.42 3mka s ARG 135 N 0.22 4.20 1.03 4.03 0.52 -1.26 -4.30 118.95 123.39 3mka s ARG 135 Ca -0.02 2.39 -0.16 0.00 -0.52 0.00 0.00 55.73 57.42 3mka s ARG 135 Cb -0.05 -3.18 0.03 0.00 0.52 0.00 0.00 34.95 32.28 3mka s ARG 135 CO -0.00 -0.64 0.03 -2.30 0.02 0.00 0.00 175.30 172.41 3mka n PRO 136 N 4.09 -0.77 -4.46 3.54 -0.02 -1.26 -4.86 135.00 131.26 3mka n PRO 136 Ca 0.14 -0.20 -0.20 0.00 -2.02 0.00 0.00 63.50 61.22 3mka n PRO 136 Cb 0.38 -1.67 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 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 -3.33 0.94 0.00 -0.52 2.02 -0.53 -4.99 118.70 112.30 3mka s GLU 137 Ca 0.54 -0.55 0.02 0.00 0.02 0.00 0.00 54.97 55.01 3mka s GLU 137 Cb -0.15 -0.92 -0.01 0.00 0.10 0.00 0.00 34.13 33.15 3mka s GLU 137 CO 0.68 0.24 -0.08 -0.51 0.02 0.00 0.00 175.26 175.62 3mka s LEU 138 N -0.60 2.04 0.01 1.80 1.43 -1.24 -1.66 118.68 120.45 3mka s LEU 138 Ca 0.03 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3mka s LEU 138 Cb -0.06 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.78 3mka s LEU 138 CO 0.00 0.06 -0.05 -0.31 0.23 0.00 0.00 176.35 176.28 3mka s TYR 139 N -0.31 0.48 -0.06 0.29 2.02 -0.37 -1.45 117.35 117.94 3mka s TYR 139 Ca 0.02 -0.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.59 3mka s TYR 139 Cb -0.04 -0.30 -0.01 0.00 -0.40 0.00 0.00 41.96 41.21 3mka s TYR 139 CO -0.00 -0.03 -0.22 0.50 -1.57 0.00 0.00 175.55 174.23 3mka s ARG 140 N -0.46 2.60 -0.13 -0.62 3.52 -0.02 -1.37 118.95 122.47 3mka s ARG 140 Ca -0.01 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 3mka s ARG 140 Cb -0.04 -2.24 0.02 0.00 -1.56 0.00 0.00 34.95 31.13 3mka s ARG 140 CO -0.00 0.42 -0.16 0.42 -0.81 0.00 0.00 175.30 175.17 3mka s ILE 141 N -0.24 1.62 0.69 4.11 1.09 0.10 -0.47 121.20 128.10 3mka s ILE 141 Ca -0.01 -0.69 -0.08 0.00 -1.10 0.00 0.00 60.65 58.77 3mka s ILE 141 Cb -0.13 -1.48 0.05 0.00 -1.06 0.00 0.00 42.46 39.83 3mka s ILE 141 CO 0.03 0.47 1.02 0.42 -0.10 0.00 0.00 174.94 176.77 3mka s THR 142 N 1.16 2.70 0.44 2.92 -4.23 -0.15 -1.58 115.64 116.90 3mka s THR 142 Ca -0.02 -0.09 0.10 0.00 -1.18 0.00 0.00 61.69 60.50 3mka s THR 142 Cb -0.14 -3.16 0.24 0.00 1.34 0.00 0.00 72.50 70.78 3mka s THR 142 CO -0.05 -0.18 2.05 0.10 -0.54 0.00 0.00 174.62 176.00 3mka h TYR 143 N -0.56 0.31 0.00 3.99 -0.00 -1.82 0.25 116.97 119.14 3mka h TYR 143 Ca -0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.26 3mka h TYR 143 Cb 1.30 -0.10 -0.00 0.00 0.00 0.00 0.00 36.73 37.92 3mka h TYR 143 CO 0.38 0.24 -0.09 0.22 -0.00 0.00 0.00 178.16 178.92 3mka h ASP 144 N 0.32 0.00 0.00 0.10 3.58 -1.88 -3.41 116.42 115.13 3mka h ASP 144 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3mka h ASP 144 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3mka h ASP 144 CO -0.01 0.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.05 3mka n GLY 145 N -0.92 0.75 3.78 -0.78 0.00 0.89 -4.29 105.19 104.62 3mka n GLY 145 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.49 5.88 0.01 1.61 0.01 -1.26 -4.64 113.70 112.82 3mka s SER 146 Ca 0.00 2.06 0.05 0.00 1.31 0.00 0.00 55.95 59.37 3mka s SER 146 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 3mka s SER 146 CO 0.00 -1.10 -0.15 -0.51 0.41 0.00 0.00 173.24 171.89 3mka s ILE 147 N -1.92 1.18 -0.02 1.44 2.07 -1.26 -0.97 121.20 121.71 3mka s ILE 147 Ca 0.70 -0.79 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 3mka s ILE 147 Cb -0.21 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.37 3mka s ILE 147 CO 0.26 0.21 -0.08 0.00 -1.91 0.00 0.00 174.94 173.42 3mka s ALA 148 N -0.55 0.73 -0.73 1.50 0.00 0.37 -4.96 121.76 118.13 3mka s ALA 148 Ca 0.04 -0.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 3mka s ALA 148 Cb -0.07 -0.27 0.10 0.00 0.00 0.00 0.00 23.12 22.88 3mka s ALA 148 CO 0.00 0.12 0.96 0.34 0.00 0.00 0.00 175.76 177.18 3mka s ASP 149 N 0.18 6.32 -0.19 0.00 -1.08 -1.26 -0.84 116.67 119.80 3mka s ASP 149 Ca -0.02 -1.42 -0.17 0.00 -0.52 0.00 0.00 52.55 50.41 3mka s ASP 149 Cb -0.07 -2.39 -0.04 0.00 -1.46 0.00 0.00 42.92 38.96 3mka s ASP 149 CO 0.00 -1.25 0.47 -1.61 0.52 0.00 0.00 175.17 173.30 3mka s GLU 150 N 3.32 4.21 0.21 4.34 0.41 -0.53 -5.00 118.70 125.66 3mka s GLU 150 Ca 0.23 0.35 0.02 0.00 -0.41 0.00 0.00 54.97 55.15 3mka s GLU 150 Cb -0.15 -3.53 0.17 0.00 -1.78 0.00 0.00 34.13 28.84 3mka s GLU 150 CO 0.03 -0.06 1.51 -1.35 -0.49 0.00 0.00 175.26 174.91 3mka h PRO 151 N 7.30 0.33 0.00 0.39 0.11 -1.97 -3.30 132.00 134.86 3mka h PRO 151 Ca -0.36 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3mka h PRO 151 Cb 1.16 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3mka h PRO 151 CO 0.74 0.86 -0.60 0.72 -0.21 0.00 0.00 178.00 179.50 3mka n HIS 152 N -3.87 0.00 -3.75 0.65 8.25 -1.26 -4.85 115.22 110.39 3mka n HIS 152 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 3mka n HIS 152 Cb 0.64 0.00 -0.03 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 -1.60 -0.14 0.01 4.41 -0.12 -1.26 0.81 117.98 120.09 3mka s PHE 153 Ca 0.00 -0.22 0.01 0.00 -0.05 0.00 0.00 56.93 56.67 3mka s PHE 153 Cb 0.00 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.84 3mka s PHE 153 CO 0.00 -0.99 -0.03 0.08 -0.05 0.00 0.00 175.22 174.24 3mka s VAL 154 N -3.88 0.16 -0.03 -2.49 1.01 0.16 -4.90 120.40 110.43 3mka s VAL 154 Ca 0.10 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3mka s VAL 154 Cb -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.17 3mka s VAL 154 CO -0.01 -0.13 -0.08 -0.69 0.00 0.00 0.00 175.10 174.18 3mka s VAL 155 N -0.51 0.76 0.02 2.92 1.01 -1.26 -0.90 120.40 122.44 3mka s VAL 155 Ca -0.04 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 3mka s VAL 155 Cb -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.66 3mka s VAL 155 CO -0.00 0.25 0.27 -0.04 0.00 0.00 0.00 175.10 175.58 3mka s MET 156 N 0.35 0.72 0.00 2.72 -1.94 -0.50 -5.02 119.30 115.63 3mka s MET 156 Ca -0.06 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 3mka s MET 156 Cb -0.10 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.05 3mka s MET 156 CO 0.01 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 3mka n GLY 157 N 0.86 1.21 7.00 -0.03 0.00 -1.26 -0.14 105.19 112.83 3mka n GLY 157 Ca -0.20 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 1.36 2.08 3.50 -0.02 0.00 -0.27 -4.22 105.19 107.62 3mka n GLY 158 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 5.10 -0.15 2.61 -4.23 -1.26 -4.34 115.64 113.38 3mka s THR 159 Ca 0.00 -0.23 -0.17 0.00 -1.18 0.00 0.00 61.69 60.11 3mka s THR 159 Cb 0.00 -3.99 -0.24 0.00 1.34 0.00 0.00 72.50 69.61 3mka s THR 159 CO 0.00 -0.34 0.40 0.71 -0.54 0.00 0.00 174.62 174.85 3mka h THR 160 N 5.68 0.94 -0.71 3.99 1.35 -1.97 -3.41 112.91 118.78 3mka h THR 160 Ca -0.27 -2.30 0.11 0.00 -0.55 0.00 0.00 66.41 63.40 3mka h THR 160 Cb 1.12 2.52 -0.11 0.00 -1.73 0.00 0.00 68.15 69.95 3mka h THR 160 CO 0.77 0.59 -0.28 -0.62 -0.25 0.00 0.00 175.52 175.74 3mka n GLU 161 N -4.06 -0.17 0.18 4.72 4.71 -1.26 -0.10 120.64 124.66 3mka n GLU 161 Ca -0.28 1.09 -0.15 0.00 -0.01 0.00 0.00 57.16 57.81 3mka n GLU 161 Cb 0.83 -1.62 -0.07 0.00 -1.01 0.00 0.00 31.44 29.57 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 -0.65 -0.79 3.49 0.13 -1.83 0.24 132.00 132.60 3mka h PRO 162 Ca 0.25 0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.45 3mka h PRO 162 Cb 0.42 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 31.65 3mka h PRO 162 CO -0.70 -0.43 0.51 0.82 -0.23 0.00 0.00 178.00 177.96 3mka h ILE 163 N -0.67 1.13 -0.65 -3.56 2.04 -0.83 -0.44 117.51 114.54 3mka h ILE 163 Ca -0.00 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3mka h ILE 163 Cb 0.64 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3mka h ILE 163 CO -0.13 0.18 0.33 0.00 0.00 0.00 0.00 178.15 178.53 3mka h ALA 164 N 1.32 0.83 -0.74 1.87 0.00 0.00 -1.70 119.26 120.85 3mka h ALA 164 Ca 0.31 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3mka h ALA 164 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3mka h ALA 164 CO -0.10 0.38 0.21 -0.91 0.00 0.00 0.00 179.25 178.82 3mka h ASN 165 N 0.89 1.09 -0.75 0.00 2.35 0.16 -0.23 115.58 119.09 3mka h ASN 165 Ca 0.22 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3mka h ASN 165 Cb 0.09 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 3mka h ASN 165 CO -0.03 1.02 0.38 0.00 -1.65 0.00 0.00 177.43 177.16 3mka h ALA 166 N 1.11 0.96 -0.58 -0.83 0.00 -0.82 -1.30 119.26 117.80 3mka h ALA 166 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3mka h ALA 166 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3mka h ALA 166 CO -0.00 0.50 0.13 1.25 0.00 0.00 0.00 179.25 181.13 3mka h LEU 167 N 1.04 0.89 -0.47 0.00 5.85 -0.83 -1.47 115.31 120.32 3mka h LEU 167 Ca 0.26 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3mka h LEU 167 Cb 0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3mka h LEU 167 CO -0.04 0.90 0.21 0.50 -0.34 0.00 0.00 178.44 179.67 3mka h LYS 168 N 0.85 0.70 -0.56 1.25 3.64 -0.64 0.82 116.57 122.62 3mka h LYS 168 Ca 0.18 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 3mka h LYS 168 Cb 0.37 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3mka h LYS 168 CO 0.00 0.61 -0.01 0.93 -2.27 0.00 0.00 179.45 178.72 3mka h GLU 169 N 0.62 1.00 -0.31 1.90 5.08 -1.13 -3.31 114.58 118.43 3mka h GLU 169 Ca 0.16 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3mka h GLU 169 Cb 0.16 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3mka h GLU 169 CO -0.02 1.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.86 3mka n SER 170 N -4.24 2.86 -4.74 1.42 3.41 -0.57 -5.01 113.62 106.75 3mka n SER 170 Ca 0.02 -1.88 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 3mka n SER 170 Cb 0.34 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 3mka n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3mka s TYR 171 N -1.04 2.91 -0.10 7.33 5.04 0.28 -4.98 117.35 126.78 3mka s TYR 171 Ca 0.25 0.85 0.02 0.00 -2.44 0.00 0.00 57.07 55.75 3mka s TYR 171 Cb 0.14 -3.95 0.01 0.00 0.35 0.00 0.00 41.96 38.52 3mka s TYR 171 CO 0.19 -3.20 -0.15 0.00 -1.34 0.00 0.00 175.55 171.05 3mka s ALA 172 N 0.18 1.67 0.30 3.97 0.00 -1.26 -5.04 121.76 121.58 3mka s ALA 172 Ca 0.63 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 3mka s ALA 172 Cb -0.45 -0.81 -0.10 0.00 0.00 0.00 0.00 23.12 21.77 3mka s ALA 172 CO 0.43 -0.05 1.16 -1.21 0.00 0.00 0.00 175.76 176.09 3mka s GLU 173 N 0.94 4.55 -1.51 0.00 2.02 -1.26 -3.49 118.70 119.95 3mka s GLU 173 Ca -0.08 1.92 -0.06 0.00 0.02 0.00 0.00 54.97 56.78 3mka s GLU 173 Cb -0.15 -3.15 0.01 0.00 0.10 0.00 0.00 34.13 30.94 3mka s GLU 173 CO -0.01 0.09 0.72 0.09 0.02 0.00 0.00 175.26 176.18 3mka n ASN 174 N 1.07 -5.98 -4.78 -0.19 5.03 -1.26 -4.96 115.26 104.17 3mka n ASN 174 Ca -0.01 -0.36 -0.33 0.00 0.87 0.00 0.00 54.58 54.76 3mka n ASN 174 Cb 0.44 -4.81 0.03 0.00 -1.02 0.00 0.00 39.78 34.42 3mka n ASN 174 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3mka s ALA 175 N -3.19 2.59 0.77 5.41 0.00 -1.23 -4.37 121.76 121.74 3mka s ALA 175 Ca 0.38 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3mka s ALA 175 Cb -0.17 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.73 3mka s ALA 175 CO 0.47 -1.08 1.10 -1.54 0.00 0.00 0.00 175.76 174.71 3mka s SER 176 N -2.67 4.44 0.19 0.00 1.04 -1.26 -2.62 113.70 112.82 3mka s SER 176 Ca 0.66 1.86 -0.12 0.00 0.48 0.00 0.00 55.95 58.82 3mka s SER 176 Cb -0.19 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.51 3mka s SER 176 CO 0.40 -2.08 1.85 0.25 0.98 0.00 0.00 173.24 174.64 3mka h LEU 177 N -1.10 0.74 -0.56 2.42 5.85 -1.99 -0.38 115.31 120.29 3mka h LEU 177 Ca -0.44 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3mka h LEU 177 Cb 1.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3mka h LEU 177 CO 0.51 0.55 0.32 0.74 -0.34 0.00 0.00 178.44 180.22 3mka h THR 178 N 0.86 1.18 -0.65 1.05 2.02 -1.94 0.03 112.91 115.45 3mka h THR 178 Ca 0.23 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 3mka h THR 178 Cb -0.08 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 3mka h THR 178 CO -0.05 0.19 0.25 0.44 0.37 0.00 0.00 175.52 176.72 3mka h ASP 179 N 0.75 0.90 -0.68 4.18 3.32 -1.83 -0.54 116.42 122.52 3mka h ASP 179 Ca 0.20 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3mka h ASP 179 Cb 0.02 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3mka h ASP 179 CO -0.03 0.84 0.30 0.00 -1.72 0.00 0.00 179.24 178.62 3mka h ALA 180 N 1.10 0.88 -0.61 3.45 0.00 -0.71 -0.73 119.26 122.65 3mka h ALA 180 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3mka h ALA 180 Cb 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3mka h ALA 180 CO -0.02 0.47 0.29 1.25 0.00 0.00 0.00 179.25 181.24 3mka h LEU 181 N 0.95 0.80 -0.50 0.00 5.85 -0.55 0.01 115.31 121.87 3mka h LEU 181 Ca 0.23 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3mka h LEU 181 Cb 0.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3mka h LEU 181 CO -0.02 0.71 0.26 0.03 -0.34 0.00 0.00 178.44 179.08 3mka h ARG 182 N 0.83 0.71 -0.63 1.25 3.08 -0.62 -0.23 114.38 118.77 3mka h ARG 182 Ca 0.21 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3mka h ARG 182 Cb 0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3mka h ARG 182 CO -0.03 0.57 0.37 0.82 -1.07 0.00 0.00 179.97 180.63 3mka h ILE 183 N 0.67 1.19 -0.58 2.04 2.04 -0.72 -0.35 117.51 121.80 3mka h ILE 183 Ca 0.18 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3mka h ILE 183 Cb 0.07 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3mka h ILE 183 CO -0.03 0.20 0.26 0.00 0.00 0.00 0.00 178.15 178.59 3mka h ALA 184 N 1.18 0.75 -0.72 1.87 0.00 -0.60 -0.61 119.26 121.13 3mka h ALA 184 Ca 0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3mka h ALA 184 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3mka h ALA 184 CO -0.04 0.33 0.26 0.28 0.00 0.00 0.00 179.25 180.08 3mka h VAL 185 N 0.79 1.26 -0.47 0.00 2.07 -0.67 -0.11 116.25 119.11 3mka h VAL 185 Ca 0.20 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3mka h VAL 185 Cb 0.15 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3mka h VAL 185 CO -0.02 0.33 0.22 0.00 0.02 0.00 0.00 177.57 178.12 3mka h ALA 186 N 1.12 0.61 -0.81 1.67 0.00 -0.65 0.18 119.26 121.39 3mka h ALA 186 Ca 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3mka h ALA 186 Cb 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3mka h ALA 186 CO -0.01 0.19 0.44 0.00 0.00 0.00 0.00 179.25 179.86 3mka h ALA 187 N 1.06 1.04 -0.77 0.00 0.00 -0.73 -2.27 119.26 117.59 3mka h ALA 187 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 187 Cb 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3mka h ALA 187 CO -0.02 0.55 0.27 1.25 0.00 0.00 0.00 179.25 181.30 3mka h LEU 188 N 1.12 1.09 -0.77 0.00 7.12 -0.47 -2.95 115.31 120.45 3mka h LEU 188 Ca 0.28 -0.19 -0.03 0.00 0.13 0.00 0.00 57.88 58.07 3mka h LEU 188 Cb 0.04 -0.29 -0.04 0.00 -0.53 0.00 0.00 40.66 39.85 3mka h LEU 188 CO -0.04 0.99 0.37 0.03 -0.13 0.00 0.00 178.44 179.66 3mka h ARG 189 N 1.13 1.11 -3.03 1.25 3.08 -0.11 -2.97 114.38 114.85 3mka h ARG 189 Ca 0.25 -0.16 -0.70 0.00 0.07 0.00 0.00 59.98 59.43 3mka h ARG 189 Cb 0.27 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3mka h ARG 189 CO -0.01 0.86 3.17 0.00 -1.07 0.00 0.00 179.97 182.91 3mka n ALA 190 N -2.39 6.93 0.13 0.04 0.00 -0.94 -5.11 120.51 119.17 3mka n ALA 190 Ca 0.07 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.70 3mka n ALA 190 Cb 0.13 -3.17 0.00 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 2.96 -1.14 0.00 0.00 0.00 -1.13 -3.36 105.19 102.52 3mka n GLY 191 Ca 0.67 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.89 3mka n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mka n GLY 204 N -0.98 2.03 0.00 -0.02 0.00 -1.26 -5.08 105.19 99.88 3mka n GLY 204 Ca 0.00 -1.42 0.05 0.00 0.00 0.00 0.00 46.02 44.65 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 2.49 0.40 -0.03 1.61 0.31 -1.26 -2.24 118.33 119.62 3mka n VAL 205 Ca 0.00 0.10 -0.04 0.00 -0.01 0.00 0.00 64.34 64.39 3mka n VAL 205 Cb 0.00 -0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 31.95 3mka n VAL 205 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mka n ALA 206 N -1.15 1.84 1.95 3.52 0.00 -1.26 -4.50 120.51 120.92 3mka n ALA 206 Ca 0.06 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.18 3mka n ALA 206 Cb 0.06 0.18 0.36 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.38 0.10 -4.37 0.00 3.41 -1.09 -4.64 113.62 104.64 3mka n SER 207 Ca -0.11 -1.63 -0.29 0.00 -0.26 0.00 0.00 58.87 56.58 3mka n SER 207 Cb 0.68 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.38 2.29 -0.17 1.04 1.02 -0.95 -0.19 118.68 120.35 3mka s LEU 208 Ca 0.19 -0.72 0.01 0.00 0.02 0.00 0.00 54.13 53.63 3mka s LEU 208 Cb 0.09 -1.20 0.03 0.00 0.02 0.00 0.00 46.19 45.12 3mka s LEU 208 CO 0.14 0.18 -0.14 -0.70 0.02 0.00 0.00 176.35 175.86 3mka s GLU 209 N -1.91 2.32 -0.02 1.70 2.12 0.09 -4.74 118.70 118.26 3mka s GLU 209 Ca 0.13 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.80 3mka s GLU 209 Cb -0.10 -2.27 -0.00 0.00 0.26 0.00 0.00 34.13 32.02 3mka s GLU 209 CO 0.05 -0.29 -0.11 0.08 -0.54 0.00 0.00 175.26 174.45 3mka s VAL 210 N 1.43 0.92 0.09 3.70 1.01 -1.26 -1.51 120.40 124.77 3mka s VAL 210 Ca 0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 3mka s VAL 210 Cb -0.14 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.48 3mka s VAL 210 CO -0.10 0.27 0.33 0.00 0.00 0.00 0.00 175.10 175.60 3mka s ALA 211 N -0.07 -0.71 0.06 5.51 0.00 -0.97 -1.32 121.76 124.27 3mka s ALA 211 Ca 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 3mka s ALA 211 Cb -0.07 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 3mka s ALA 211 CO 0.00 -0.55 0.08 0.14 0.00 0.00 0.00 175.76 175.43 3mka s VAL 212 N -3.49 0.17 -0.30 0.00 -7.23 0.44 -0.87 120.40 109.12 3mka s VAL 212 Ca 0.01 -1.41 -0.08 0.00 -1.81 0.00 0.00 61.98 58.69 3mka s VAL 212 Cb 0.02 -1.31 -0.00 0.00 0.56 0.00 0.00 36.38 35.65 3mka s VAL 212 CO -0.09 -0.78 0.11 -0.76 -0.31 0.00 0.00 175.10 173.26 3mka s LEU 213 N -2.72 3.92 -0.42 1.32 1.43 -0.07 -0.97 118.68 121.16 3mka s LEU 213 Ca 0.04 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 3mka s LEU 213 Cb 0.05 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3mka s LEU 213 CO -0.09 -0.18 0.49 -0.62 0.23 0.00 0.00 176.35 176.18 3mka s ASP 214 N 1.55 6.23 0.57 2.29 -1.08 0.17 -2.67 116.67 123.74 3mka s ASP 214 Ca 0.04 -0.54 0.32 0.00 -0.52 0.00 0.00 52.55 51.85 3mka s ASP 214 Cb -0.17 -2.25 1.76 0.00 -1.46 0.00 0.00 42.92 40.80 3mka s ASP 214 CO 0.04 -0.62 2.18 0.00 0.52 0.00 0.00 175.17 177.29 3mka h ALA 215 N 8.75 1.29 -0.44 3.66 0.00 -1.79 -2.48 119.26 128.24 3mka h ALA 215 Ca -0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3mka h ALA 215 Cb 1.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3mka h ALA 215 CO 0.82 0.06 0.03 -0.97 0.00 0.00 0.00 179.25 179.19 3mka h ASN 216 N 0.00 0.66 -4.02 0.00 -1.24 -1.90 -3.39 115.58 105.70 3mka h ASN 216 Ca -0.00 -0.14 -0.55 0.00 0.71 0.00 0.00 56.30 56.33 3mka h ASN 216 Cb 0.17 -0.17 0.13 0.00 0.73 0.00 0.00 38.32 39.18 3mka h ASN 216 CO 0.01 0.71 0.67 -0.13 -1.29 0.00 0.00 177.43 177.40 3mka s ARG 217 N -5.03 3.44 0.17 6.67 1.81 -0.93 -4.94 118.95 120.13 3mka s ARG 217 Ca -0.09 2.35 -0.13 0.00 -1.72 0.00 0.00 55.73 56.15 3mka s ARG 217 Cb 0.15 -2.48 0.06 0.00 -0.45 0.00 0.00 34.95 32.23 3mka s ARG 217 CO 0.79 -0.99 1.73 -1.00 -0.68 0.00 0.00 175.30 175.16 3mka h PRO 218 N 1.94 0.83 0.00 3.54 0.13 -1.89 -3.40 132.00 133.15 3mka h PRO 218 Ca -0.51 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3mka h PRO 218 Cb 1.28 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3mka h PRO 218 CO 0.59 0.70 0.00 -2.13 -0.23 0.00 0.00 178.00 176.93 3mka n ARG 219 N -4.52 0.00 -2.54 0.86 0.63 -1.26 -4.41 116.66 105.42 3mka n ARG 219 Ca 0.03 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.55 3mka n ARG 219 Cb 0.14 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.02 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 -0.72 3.19 0.41 -0.14 0.52 -1.26 -4.45 118.95 116.51 3mka s ARG 220 Ca 0.00 -0.25 0.15 0.00 -0.52 0.00 0.00 55.73 55.10 3mka s ARG 220 Cb 0.00 -4.23 0.88 0.00 0.52 0.00 0.00 34.95 32.13 3mka s ARG 220 CO 0.00 -2.17 1.91 0.00 0.02 0.00 0.00 175.30 175.06 3mka h ALA 221 N 10.14 1.48 -2.36 2.13 0.00 -1.09 -3.45 119.26 126.12 3mka h ALA 221 Ca -0.26 -0.26 -0.54 0.00 0.00 0.00 0.00 54.91 53.85 3mka h ALA 221 Cb 1.05 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.81 3mka h ALA 221 CO 1.28 0.35 1.10 0.12 0.00 0.00 0.00 179.25 182.10 3mka s PHE 222 N -4.34 1.95 -0.02 0.00 5.36 -1.26 0.41 117.98 120.07 3mka s PHE 222 Ca -0.03 0.06 -0.01 0.00 -0.96 0.00 0.00 56.93 55.99 3mka s PHE 222 Cb 0.15 -4.02 0.02 0.00 -0.34 0.00 0.00 43.02 38.82 3mka s PHE 222 CO 0.70 -4.33 0.05 -0.98 -1.46 0.00 0.00 175.22 169.20 3mka s ARG 223 N 3.64 0.01 -0.12 10.12 1.70 -0.14 -4.96 118.95 129.20 3mka s ARG 223 Ca 0.78 0.15 -0.19 0.00 -0.47 0.00 0.00 55.73 56.00 3mka s ARG 223 Cb -0.38 -0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 33.84 3mka s ARG 223 CO 0.34 -0.09 0.51 1.03 -1.08 0.00 0.00 175.30 176.00 3mka s ARG 224 N 0.61 4.34 -0.42 3.89 0.52 -1.26 -0.42 118.95 126.20 3mka s ARG 224 Ca -0.05 0.49 -0.17 0.00 -0.52 0.00 0.00 55.73 55.49 3mka s ARG 224 Cb -0.07 -3.45 0.02 0.00 0.52 0.00 0.00 34.95 31.97 3mka s ARG 224 CO -0.02 0.12 0.40 0.42 0.02 0.00 0.00 175.30 176.24 3mka s ILE 225 N 0.75 5.13 0.19 1.52 1.01 -0.43 -4.96 121.20 124.40 3mka s ILE 225 Ca 0.27 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.58 3mka s ILE 225 Cb -0.15 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3mka s ILE 225 CO 0.11 -0.39 -0.15 0.28 0.00 0.00 0.00 174.94 174.79 3mka s THR 226 N 2.02 1.69 0.00 2.92 -1.32 -1.26 -4.38 115.64 115.32 3mka s THR 226 Ca 0.10 -2.10 0.00 0.00 -1.21 0.00 0.00 61.69 58.48 3mka s THR 226 Cb -0.17 -1.95 0.00 0.00 -1.51 0.00 0.00 72.50 68.87 3mka s THR 226 CO 0.13 -0.53 0.00 0.61 -2.21 0.00 0.00 174.62 172.61 3mka n GLY 227 N -0.16 1.63 0.24 6.08 0.00 -1.26 -2.57 105.19 109.15 3mka n GLY 227 Ca -0.10 0.52 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 0.71 -0.51 1.61 0.02 -1.97 -0.61 113.55 112.81 3mka h SER 228 Ca 0.00 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3mka h SER 228 Cb 0.00 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3mka h SER 228 CO 0.00 0.61 0.21 0.00 -1.14 0.00 0.00 176.83 176.51 3mka h ALA 229 N 1.13 0.66 -0.63 3.77 0.00 -1.88 -0.02 119.26 122.29 3mka h ALA 229 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3mka h ALA 229 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3mka h ALA 229 CO -0.03 0.26 0.27 1.25 0.00 0.00 0.00 179.25 181.01 3mka h LEU 230 N 0.69 0.85 -0.73 0.00 5.85 -1.61 -1.16 115.31 119.19 3mka h LEU 230 Ca 0.17 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3mka h LEU 230 Cb 0.18 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3mka h LEU 230 CO -0.02 0.77 0.31 -0.61 -0.34 0.00 0.00 178.44 178.55 3mka h GLN 231 N 0.87 1.09 -0.30 1.25 5.75 -0.66 -2.64 115.11 120.47 3mka h GLN 231 Ca 0.21 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3mka h GLN 231 Cb 0.17 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3mka h GLN 231 CO -0.02 0.88 0.13 0.00 -2.65 0.00 0.00 178.83 177.17 3mka h ALA 232 N 1.15 0.38 0.00 3.38 0.00 -0.56 -2.84 119.26 120.77 3mka h ALA 232 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mka h ALA 232 Cb 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3mka h ALA 232 CO -0.02 -0.03 -0.01 -0.07 0.00 0.00 0.00 179.25 179.12 3mka h LEU 233 N 0.33 0.00 0.00 0.00 3.38 -0.86 -3.14 115.31 115.02 3mka h LEU 233 Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3mka h LEU 233 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3mka h LEU 233 CO -0.01 0.01 -1.20 -0.07 0.09 0.00 0.00 178.44 177.26 3mka h LEU 234 N 0.00 0.00 0.00 1.67 3.38 -1.37 -3.47 115.31 115.52 3mka h LEU 234 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mka h LEU 234 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3mka h LEU 234 CO 0.00 0.38 0.00 0.52 0.09 0.00 0.00 178.44 179.43