#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mc3 s LYS 2 N 0.00 0.56 0.09 1.57 1.02 -1.01 -4.84 119.74 117.13 1mc3 s LYS 2 Ca 0.00 -0.76 0.07 0.00 0.02 0.00 0.00 55.97 55.30 1mc3 s LYS 2 Cb 0.00 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 1mc3 s LYS 2 CO 0.00 -0.13 -0.18 0.20 -0.92 0.00 0.00 175.35 174.31 1mc3 s GLY 3 N -2.10 1.08 0.05 -3.33 0.00 -0.59 -1.45 107.32 100.98 1mc3 s GLY 3 Ca -0.05 -1.13 0.06 0.00 0.00 0.00 0.00 44.72 43.60 1mc3 s GLY 3 CO -0.04 -1.14 -0.18 -0.42 0.00 0.00 0.00 173.10 171.32 1mc3 s ILE 4 N -1.17 1.45 -0.15 0.90 1.01 0.11 -0.89 121.20 122.47 1mc3 s ILE 4 Ca 0.03 -1.17 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 1mc3 s ILE 4 Cb -0.10 -1.29 0.04 0.00 0.01 0.00 0.00 42.46 41.12 1mc3 s ILE 4 CO 0.03 0.09 -0.05 -0.63 0.00 0.00 0.00 174.94 174.38 1mc3 s ILE 5 N -0.87 1.02 -0.48 2.92 1.01 -0.12 -2.12 121.20 122.56 1mc3 s ILE 5 Ca 0.05 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 1mc3 s ILE 5 Cb -0.09 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.22 1mc3 s ILE 5 CO 0.02 0.16 1.27 -0.76 0.00 0.00 0.00 174.94 175.63 1mc3 s LEU 6 N 1.68 3.57 -0.20 2.97 2.01 -1.18 -1.14 118.68 126.39 1mc3 s LEU 6 Ca 0.02 0.52 0.13 0.00 0.01 0.00 0.00 54.13 54.81 1mc3 s LEU 6 Cb -0.15 -3.45 0.43 0.00 0.01 0.00 0.00 46.19 43.04 1mc3 s LEU 6 CO -0.08 -1.40 1.20 0.00 1.01 0.00 0.00 176.35 177.09 1mc3 n ALA 7 N 8.47 3.72 -2.33 4.21 0.00 0.17 -1.34 120.51 133.41 1mc3 n ALA 7 Ca 0.13 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1mc3 n ALA 7 Cb 0.49 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1mc3 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mc3 n GLY 8 N -0.82 1.02 0.00 0.00 0.00 -1.15 -4.51 105.19 99.73 1mc3 n GLY 8 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1mc3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc3 n GLY 9 N 5.00 -2.52 0.02 -0.02 0.00 -1.26 -4.74 105.19 101.67 1mc3 n GLY 9 Ca 0.00 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.68 1mc3 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mc3 n SER 10 N -2.02 0.63 -4.23 1.61 7.64 -1.26 -4.91 113.62 111.07 1mc3 n SER 10 Ca 0.00 -0.24 -0.30 0.00 1.01 0.00 0.00 58.87 59.34 1mc3 n SER 10 Cb 0.00 0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 1mc3 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mc3 n GLY 11 N 1.42 -0.16 0.25 0.23 0.00 -1.26 -4.85 105.19 100.82 1mc3 n GLY 11 Ca 0.04 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1mc3 n GLY 11 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1mc3 h THR 12 N -1.82 1.10 0.00 2.61 1.35 -1.93 -2.89 112.91 111.32 1mc3 h THR 12 Ca -0.66 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1mc3 h THR 12 Cb 1.39 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1mc3 h THR 12 CO 0.69 0.13 0.00 0.54 -0.25 0.00 0.00 175.52 176.62 1mc3 n ARG 13 N -4.40 0.02 -0.54 4.72 1.74 -1.26 -1.08 116.66 115.85 1mc3 n ARG 13 Ca -0.01 0.36 0.04 0.00 -0.77 0.00 0.00 57.85 57.46 1mc3 n ARG 13 Cb 0.17 -1.55 0.22 0.00 -1.02 0.00 0.00 32.46 30.28 1mc3 n ARG 13 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1mc3 n LEU 14 N -1.59 3.74 -0.36 0.55 4.77 -1.09 -4.24 117.00 118.77 1mc3 n LEU 14 Ca 0.02 -3.36 -0.04 0.00 -0.03 0.00 0.00 56.01 52.60 1mc3 n LEU 14 Cb 0.12 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.65 1mc3 n LEU 14 CO 0.10 0.94 0.57 0.45 -1.33 0.00 0.00 177.39 178.11 1mc3 h HIS 15 N 1.20 -1.22 -0.92 -1.77 3.86 -1.22 -2.22 115.15 112.86 1mc3 h HIS 15 Ca 0.09 0.10 0.23 0.00 -1.16 0.00 0.00 60.37 59.64 1mc3 h HIS 15 Cb 1.46 0.67 -0.13 0.00 1.06 0.00 0.00 27.41 30.47 1mc3 h HIS 15 CO 0.65 -0.40 0.42 -1.00 0.86 0.00 0.00 177.93 178.46 1mc3 h PRO 16 N -0.04 0.38 0.78 2.45 0.13 -1.93 -3.12 132.00 130.67 1mc3 h PRO 16 Ca 0.29 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.36 1mc3 h PRO 16 Cb 0.56 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 31.61 1mc3 h PRO 16 CO -0.93 0.25 -0.38 0.82 -0.23 0.00 0.00 178.00 177.54 1mc3 h ILE 17 N 0.39 0.00 0.00 -3.56 2.04 -1.82 -3.22 117.51 111.35 1mc3 h ILE 17 Ca 0.59 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 66.23 1mc3 h ILE 17 Cb 1.15 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1mc3 h ILE 17 CO -0.54 0.00 0.00 0.35 0.00 0.00 0.00 178.15 177.96 1mc3 n THR 18 N -5.42 0.00 0.46 -0.27 -2.24 -1.13 -1.34 114.28 104.33 1mc3 n THR 18 Ca -0.13 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.78 1mc3 n THR 18 Cb 0.42 -0.53 0.37 0.00 -2.10 0.00 0.00 70.33 68.48 1mc3 n THR 18 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1mc3 h ARG 19 N 0.00 0.00 0.00 -0.78 3.08 -1.55 -3.38 114.38 111.75 1mc3 h ARG 19 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1mc3 h ARG 19 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1mc3 h ARG 19 CO 0.00 0.00 -0.86 0.41 -1.07 0.00 0.00 179.97 178.45 1mc3 n GLY 20 N 1.00 -0.26 3.49 0.04 0.00 -0.45 -5.06 105.19 103.95 1mc3 n GLY 20 Ca 0.04 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1mc3 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mc3 s VAL 21 N -2.38 2.85 0.41 1.61 1.01 -1.24 -5.08 120.40 117.59 1mc3 s VAL 21 Ca -0.15 -1.54 -0.27 0.00 0.00 0.00 0.00 61.98 60.02 1mc3 s VAL 21 Cb 0.04 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 34.00 1mc3 s VAL 21 CO 0.22 0.07 1.45 -0.55 0.00 0.00 0.00 175.10 176.29 1mc3 s SER 22 N -2.23 6.12 0.39 3.32 0.15 -1.26 -4.26 113.70 115.92 1mc3 s SER 22 Ca 0.19 2.98 0.13 0.00 0.70 0.00 0.00 55.95 59.94 1mc3 s SER 22 Cb -0.10 -2.66 0.94 0.00 -1.71 0.00 0.00 66.02 62.48 1mc3 s SER 22 CO 0.11 -1.02 1.87 0.50 1.20 0.00 0.00 173.24 175.90 1mc3 h LYS 23 N 2.67 0.54 0.00 5.44 3.64 -1.90 -1.48 116.57 125.48 1mc3 h LYS 23 Ca -0.51 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1mc3 h LYS 23 Cb 1.25 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1mc3 h LYS 23 CO 0.63 0.36 0.00 1.04 -2.27 0.00 0.00 179.45 179.20 1mc3 n GLN 24 N -4.54 0.52 -0.00 1.90 3.00 -1.26 -2.12 117.38 114.88 1mc3 n GLN 24 Ca 0.17 0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.29 1mc3 n GLN 24 Cb 0.55 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.19 1mc3 n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1mc3 n LEU 25 N -1.13 0.82 -4.74 1.08 4.77 -0.56 -1.66 117.00 115.59 1mc3 n LEU 25 Ca 0.14 -0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 55.31 1mc3 n LEU 25 Cb 0.12 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1mc3 n LEU 25 CO 0.14 0.20 0.73 -0.76 -1.33 0.00 0.00 177.39 176.38 1mc3 s LEU 26 N -2.88 3.15 0.05 2.23 1.43 -0.90 -4.77 118.68 116.98 1mc3 s LEU 26 Ca 0.06 2.08 -0.20 0.00 -1.03 0.00 0.00 54.13 55.04 1mc3 s LEU 26 Cb 0.13 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 1mc3 s LEU 26 CO 0.73 -2.23 0.59 -2.16 0.23 0.00 0.00 176.35 173.51 1mc3 s PRO 27 N -4.40 4.26 -0.60 1.29 0.04 -1.26 -4.55 135.00 129.79 1mc3 s PRO 27 Ca 0.67 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 1mc3 s PRO 27 Cb -0.22 -3.28 0.15 0.00 0.04 0.00 0.00 34.50 31.19 1mc3 s PRO 27 CO 0.50 0.53 0.43 0.42 0.04 0.00 0.00 177.00 178.92 1mc3 s ILE 28 N -0.76 3.87 0.00 0.56 -1.09 -0.47 -4.87 121.20 118.44 1mc3 s ILE 28 Ca 0.30 -2.66 0.00 0.00 -2.23 0.00 0.00 60.65 56.06 1mc3 s ILE 28 Cb -0.19 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1mc3 s ILE 28 CO 0.19 -0.85 0.00 0.00 -1.23 0.00 0.00 174.94 173.04 1mc3 n TYR 29 N 3.84 0.00 0.43 3.97 9.36 -1.26 -2.58 117.16 130.92 1mc3 n TYR 29 Ca 0.05 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.33 1mc3 n TYR 29 Cb 0.39 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.15 1mc3 n TYR 29 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1mc3 n ASP 30 N 8.26 1.95 -4.24 2.98 5.75 -1.26 -5.00 116.55 124.99 1mc3 n ASP 30 Ca 0.00 -1.48 -0.25 0.00 -0.01 0.00 0.00 54.79 53.06 1mc3 n ASP 30 Cb 0.00 -0.01 -0.14 0.00 -1.03 0.00 0.00 41.12 39.94 1mc3 n ASP 30 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1mc3 s LYS 31 N -0.92 1.30 0.00 0.11 1.02 -1.06 -5.07 119.74 115.12 1mc3 s LYS 31 Ca 0.13 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1mc3 s LYS 31 Cb 0.09 -1.41 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 1mc3 s LYS 31 CO 0.14 0.36 0.00 -2.30 -0.92 0.00 0.00 175.35 172.62 1mc3 n PRO 32 N 1.78 1.17 0.00 -1.68 -0.02 -1.26 -1.37 135.00 133.63 1mc3 n PRO 32 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1mc3 n PRO 32 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1mc3 n PRO 32 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1mc3 n ILE 34 N 0.00 0.00 0.22 4.25 3.06 -0.66 -4.19 119.36 122.04 1mc3 n ILE 34 Ca 0.00 0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.35 1mc3 n ILE 34 Cb 0.00 0.00 0.66 0.00 0.54 0.00 0.00 39.64 40.84 1mc3 n ILE 34 CO 0.00 0.00 0.00 1.88 -2.50 0.00 0.00 176.55 175.93 1mc3 h TYR 35 N 0.00 0.00 0.28 9.51 -1.99 -1.91 -2.63 116.97 120.24 1mc3 h TYR 35 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1mc3 h TYR 35 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1mc3 h TYR 35 CO 0.00 0.00 -0.13 1.88 -0.00 0.00 0.00 178.16 179.91 1mc3 h TYR 36 N 0.00 -0.35 -0.79 4.88 -1.99 -1.88 -2.23 116.97 114.61 1mc3 h TYR 36 Ca 0.04 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.85 1mc3 h TYR 36 Cb 0.18 0.12 -0.05 0.00 2.00 0.00 0.00 36.73 38.97 1mc3 h TYR 36 CO 0.00 -0.13 0.52 -1.00 -0.00 0.00 0.00 178.16 177.55 1mc3 h PRO 37 N -1.06 0.75 -0.14 4.88 0.13 -1.68 -2.10 132.00 132.78 1mc3 h PRO 37 Ca -0.04 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1mc3 h PRO 37 Cb 0.38 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.31 1mc3 h PRO 37 CO 0.06 0.50 -0.02 1.25 -0.23 0.00 0.00 178.00 179.56 1mc3 h LEU 38 N 0.77 -0.10 -1.86 1.56 5.85 -1.53 -2.18 115.31 117.81 1mc3 h LEU 38 Ca 0.36 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.25 1mc3 h LEU 38 Cb 0.38 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1mc3 h LEU 38 CO -0.14 -0.03 0.38 0.77 -0.34 0.00 0.00 178.44 179.08 1mc3 h SER 39 N 0.02 0.13 0.60 1.25 4.64 -0.73 -1.60 113.55 117.87 1mc3 h SER 39 Ca 0.07 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1mc3 h SER 39 Cb 0.10 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1mc3 h SER 39 CO -0.13 0.07 -0.29 0.58 -0.87 0.00 0.00 176.83 176.19 1mc3 h VAL 40 N 0.15 0.36 0.00 0.95 2.07 -1.20 0.15 116.25 118.72 1mc3 h VAL 40 Ca 0.26 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1mc3 h VAL 40 Cb 0.83 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1mc3 h VAL 40 CO -0.04 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.76 1mc3 n LEU 41 N -5.40 0.00 0.00 2.57 4.77 -0.60 -0.89 117.00 117.45 1mc3 n LEU 41 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1mc3 n LEU 41 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1mc3 n LEU 41 CO 0.35 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.59 1mc3 n LEU 43 N 0.73 0.00 -0.32 2.23 4.77 0.51 -1.49 117.00 123.43 1mc3 n LEU 43 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1mc3 n LEU 43 Cb 0.00 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.69 1mc3 n LEU 43 CO 0.00 0.00 0.89 0.00 -1.33 0.00 0.00 177.39 176.95 1mc3 n ALA 44 N 0.00 2.68 -1.49 -1.18 0.00 -0.07 -4.64 120.51 115.80 1mc3 n ALA 44 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.04 1mc3 n ALA 44 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 1mc3 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mc3 n GLY 45 N 1.17 0.45 3.64 0.00 0.00 -0.96 -4.70 105.19 104.79 1mc3 n GLY 45 Ca 0.19 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 1mc3 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mc3 s ILE 46 N -2.11 5.30 -0.03 -0.61 1.01 -0.55 -4.98 121.20 119.22 1mc3 s ILE 46 Ca 0.00 0.32 0.18 0.00 0.00 0.00 0.00 60.65 61.14 1mc3 s ILE 46 Cb 0.00 -3.57 -0.27 0.00 0.01 0.00 0.00 42.46 38.63 1mc3 s ILE 46 CO 0.00 0.29 0.37 0.54 0.00 0.00 0.00 174.94 176.14 1mc3 n ARG 47 N 4.60 0.57 -3.43 2.79 1.74 -1.26 -4.86 116.66 116.80 1mc3 n ARG 47 Ca -0.13 -0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.38 1mc3 n ARG 47 Cb 0.52 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 1mc3 n ARG 47 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1mc3 s GLU 48 N -3.20 3.26 -0.06 5.56 2.02 -1.26 -0.05 118.70 124.97 1mc3 s GLU 48 Ca -0.07 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.20 1mc3 s GLU 48 Cb 0.11 -3.90 0.02 0.00 0.10 0.00 0.00 34.13 30.46 1mc3 s GLU 48 CO 0.73 -0.65 -0.06 0.42 0.02 0.00 0.00 175.26 175.72 1mc3 s ILE 49 N 1.88 0.73 -0.19 -1.63 1.01 -0.87 -1.54 121.20 120.58 1mc3 s ILE 49 Ca 0.08 -0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1mc3 s ILE 49 Cb -0.18 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1mc3 s ILE 49 CO 0.11 0.28 0.20 -0.22 0.00 0.00 0.00 174.94 175.31 1mc3 s LEU 50 N 1.08 4.21 -0.23 2.97 2.96 -0.07 -1.19 118.68 128.41 1mc3 s LEU 50 Ca -0.08 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.10 1mc3 s LEU 50 Cb -0.14 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 1mc3 s LEU 50 CO -0.01 0.13 0.01 -0.63 -1.32 0.00 0.00 176.35 174.54 1mc3 s ILE 51 N 0.51 3.87 -0.22 6.68 1.01 0.01 -0.94 121.20 132.13 1mc3 s ILE 51 Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1mc3 s ILE 51 Cb -0.12 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1mc3 s ILE 51 CO 0.01 0.39 0.13 -0.63 0.00 0.00 0.00 174.94 174.84 1mc3 s ILE 52 N 1.46 5.23 0.31 2.92 1.01 -0.29 -2.18 121.20 129.65 1mc3 s ILE 52 Ca 0.05 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.87 1mc3 s ILE 52 Cb -0.15 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1mc3 s ILE 52 CO 0.01 0.40 0.16 0.42 0.00 0.00 0.00 174.94 175.92 1mc3 s THR 53 N 0.72 0.34 0.69 2.92 -4.23 -0.79 0.44 115.64 115.74 1mc3 s THR 53 Ca 0.07 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.47 1mc3 s THR 53 Cb -0.13 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.21 1mc3 s THR 53 CO 0.01 0.00 1.08 0.42 -0.54 0.00 0.00 174.62 175.59 1mc3 s THR 54 N -3.60 3.82 0.42 3.99 -4.23 -1.26 -0.66 115.64 114.11 1mc3 s THR 54 Ca 0.35 0.59 0.14 0.00 -1.18 0.00 0.00 61.69 61.59 1mc3 s THR 54 Cb 0.05 -3.53 0.15 0.00 1.34 0.00 0.00 72.50 70.51 1mc3 s THR 54 CO 0.17 -0.77 1.93 -0.65 -0.54 0.00 0.00 174.62 174.77 1mc3 h PRO 55 N -0.62 0.01 -0.00 3.99 0.11 -1.87 -2.86 132.00 130.76 1mc3 h PRO 55 Ca -0.45 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.44 1mc3 h PRO 55 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1mc3 h PRO 55 CO 0.62 0.25 -0.93 0.93 -0.21 0.00 0.00 178.00 178.66 1mc3 h GLU 56 N 0.01 0.39 0.00 1.05 3.07 -1.96 -3.35 114.58 113.79 1mc3 h GLU 56 Ca 0.00 -0.42 -0.08 0.00 -0.50 0.00 0.00 59.36 58.36 1mc3 h GLU 56 Cb 0.43 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1mc3 h GLU 56 CO 0.03 1.09 -0.85 -0.44 -1.40 0.00 0.00 179.01 177.44 1mc3 h ASP 57 N 0.22 0.00 -0.41 1.42 3.32 -1.92 -3.42 116.42 115.63 1mc3 h ASP 57 Ca -0.08 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.01 1mc3 h ASP 57 Cb 1.57 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.07 1mc3 h ASP 57 CO 0.16 0.31 -0.24 1.17 -1.72 0.00 0.00 179.24 178.92 1mc3 n LYS 58 N -2.95 -0.18 0.18 3.56 4.81 -1.09 -0.20 118.16 122.29 1mc3 n LYS 58 Ca -0.02 0.80 0.17 0.00 -0.87 0.00 0.00 58.31 58.38 1mc3 n LYS 58 Cb 0.69 -1.18 0.79 0.00 0.02 0.00 0.00 35.03 35.35 1mc3 n LYS 58 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1mc3 h GLY 59 N 0.00 0.00 1.25 3.14 0.00 -1.85 0.29 103.07 105.91 1mc3 h GLY 59 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.19 1mc3 h GLY 59 CO -0.39 0.00 -0.69 -0.97 0.00 0.00 0.00 176.54 174.49 1mc3 h TYR 60 N 0.00 0.99 -0.29 5.60 -1.99 -0.88 0.14 116.97 120.54 1mc3 h TYR 60 Ca 0.10 -0.41 -0.07 0.00 2.00 0.00 0.00 58.73 60.35 1mc3 h TYR 60 Cb 0.50 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 1mc3 h TYR 60 CO 0.00 1.22 -0.10 0.74 -0.00 0.00 0.00 178.16 180.02 1mc3 h PHE 61 N 0.54 0.66 -0.67 4.88 -1.00 -0.79 -1.38 116.94 119.17 1mc3 h PHE 61 Ca -0.03 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.58 1mc3 h PHE 61 Cb 1.30 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 40.67 1mc3 h PHE 61 CO 0.07 0.80 0.35 1.96 -1.61 0.00 0.00 178.31 179.88 1mc3 h GLN 62 N 0.33 0.96 -0.01 1.51 4.20 -1.02 0.77 115.11 121.84 1mc3 h GLN 62 Ca 0.07 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1mc3 h GLN 62 Cb 0.60 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1mc3 h GLN 62 CO 0.04 0.74 0.00 -0.09 -0.67 0.00 0.00 178.83 178.84 1mc3 h ARG 63 N 0.93 0.01 0.01 1.46 2.43 -0.53 0.49 114.38 119.18 1mc3 h ARG 63 Ca 0.23 -0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.07 1mc3 h ARG 63 Cb 0.08 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 1mc3 h ARG 63 CO -0.03 0.01 -2.08 -0.11 -1.51 0.00 0.00 179.97 176.24 1mc3 n LEU 64 N -4.53 0.82 -0.00 3.80 7.94 -0.48 -4.66 117.00 119.88 1mc3 n LEU 64 Ca -0.03 0.18 0.04 0.00 -1.11 0.00 0.00 56.01 55.09 1mc3 n LEU 64 Cb 0.09 0.12 -0.06 0.00 0.53 0.00 0.00 43.42 44.10 1mc3 n LEU 64 CO 0.34 0.52 -0.49 0.18 -1.11 0.00 0.00 177.39 176.82 1mc3 n LEU 65 N -2.97 0.06 0.00 -1.96 4.77 0.26 -5.08 117.00 112.07 1mc3 n LEU 65 Ca -0.27 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1mc3 n LEU 65 Cb 1.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1mc3 n LEU 65 CO 0.42 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1mc3 n GLY 66 N 1.91 1.46 0.30 -0.72 0.00 0.17 -1.87 105.19 106.44 1mc3 n GLY 66 Ca -0.01 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1mc3 n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mc3 n ASP 67 N -2.17 0.91 0.00 1.61 5.68 -1.26 -4.85 116.55 116.46 1mc3 n ASP 67 Ca 0.00 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1mc3 n ASP 67 Cb 0.00 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1mc3 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mc3 n GLY 68 N 1.04 1.13 0.30 6.12 0.00 -0.78 -1.65 105.19 111.36 1mc3 n GLY 68 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.37 1mc3 n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mc3 h SER 69 N 0.00 0.00 0.76 1.61 4.64 -1.82 0.28 113.55 119.03 1mc3 h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mc3 h SER 69 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1mc3 h SER 69 CO 0.00 0.02 0.00 -0.08 -0.87 0.00 0.00 176.83 175.90 1mc3 h GLU 70 N 0.00 0.00 -0.03 4.77 4.81 -1.88 -2.05 114.58 120.20 1mc3 h GLU 70 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mc3 h GLU 70 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1mc3 h GLU 70 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.47 1mc3 n PHE 71 N -2.57 0.06 -3.44 0.92 3.01 -0.01 -4.89 117.46 110.54 1mc3 n PHE 71 Ca 0.01 -0.68 -0.19 0.00 1.01 0.00 0.00 57.45 57.61 1mc3 n PHE 71 Cb 0.24 -0.09 0.07 0.00 -0.01 0.00 0.00 39.48 39.69 1mc3 n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mc3 n GLY 72 N -0.76 -0.71 3.23 1.37 0.00 -0.77 -4.74 105.19 102.81 1mc3 n GLY 72 Ca 0.07 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 1mc3 n GLY 72 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mc3 s ILE 73 N -3.44 0.12 -0.53 -0.61 -4.36 -0.63 -4.90 121.20 106.85 1mc3 s ILE 73 Ca 0.22 -1.00 -0.12 0.00 -0.26 0.00 0.00 60.65 59.49 1mc3 s ILE 73 Cb -0.04 -1.24 0.13 0.00 1.25 0.00 0.00 42.46 42.56 1mc3 s ILE 73 CO 0.76 -0.55 0.43 0.00 0.24 0.00 0.00 174.94 175.82 1mc3 s GLN 74 N -3.66 2.74 -0.10 0.37 1.03 0.93 -3.21 119.66 117.75 1mc3 s GLN 74 Ca 0.03 -1.82 -0.17 0.00 0.04 0.00 0.00 55.36 53.44 1mc3 s GLN 74 Cb 0.03 -4.09 -0.05 0.00 0.03 0.00 0.00 33.01 28.94 1mc3 s GLN 74 CO -0.10 -1.25 0.42 -0.51 -2.54 0.00 0.00 175.29 171.31 1mc3 s LEU 75 N 1.32 4.31 0.12 2.60 1.43 -0.66 -2.06 118.68 125.74 1mc3 s LEU 75 Ca 0.06 0.78 0.11 0.00 -1.03 0.00 0.00 54.13 54.05 1mc3 s LEU 75 Cb -0.26 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1mc3 s LEU 75 CO -0.00 0.09 -0.26 -1.61 0.23 0.00 0.00 176.35 174.80 1mc3 s GLU 76 N 0.23 1.43 0.19 1.70 2.02 -0.33 -4.83 118.70 119.10 1mc3 s GLU 76 Ca 0.23 -1.30 0.10 0.00 0.02 0.00 0.00 54.97 54.03 1mc3 s GLU 76 Cb -0.15 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 1mc3 s GLU 76 CO 0.10 0.45 -0.19 0.71 0.02 0.00 0.00 175.26 176.34 1mc3 s TYR 77 N -1.03 2.42 -0.19 1.61 1.51 -1.26 -0.81 117.35 119.60 1mc3 s TYR 77 Ca 0.13 -0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 55.71 1mc3 s TYR 77 Cb -0.10 -1.20 0.05 0.00 -0.11 0.00 0.00 41.96 40.60 1mc3 s TYR 77 CO 0.05 0.50 0.50 0.00 -1.11 0.00 0.00 175.55 175.49 1mc3 s ALA 78 N -1.66 -1.23 -0.12 3.71 0.00 -0.93 -4.91 121.76 116.62 1mc3 s ALA 78 Ca 0.22 1.41 -0.10 0.00 0.00 0.00 0.00 51.96 53.49 1mc3 s ALA 78 Cb -0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 1mc3 s ALA 78 CO 0.12 -0.24 0.20 -1.21 0.00 0.00 0.00 175.76 174.63 1mc3 s GLU 79 N 0.27 3.75 -0.48 0.00 2.02 -1.26 -1.88 118.70 121.12 1mc3 s GLU 79 Ca -0.00 -0.03 -0.08 0.00 0.02 0.00 0.00 54.97 54.88 1mc3 s GLU 79 Cb -0.03 -3.27 0.12 0.00 0.10 0.00 0.00 34.13 31.05 1mc3 s GLU 79 CO 0.01 0.61 0.34 -1.14 0.02 0.00 0.00 175.26 175.09 1mc3 s GLN 80 N -0.60 2.42 0.28 1.61 0.74 0.16 -4.93 119.66 119.34 1mc3 s GLN 80 Ca 0.15 -1.84 -0.05 0.00 0.05 0.00 0.00 55.36 53.68 1mc3 s GLN 80 Cb -0.13 -3.86 0.52 0.00 1.10 0.00 0.00 33.01 30.64 1mc3 s GLN 80 CO 0.04 -1.17 1.49 -2.30 -0.55 0.00 0.00 175.29 172.80 1mc3 n PRO 81 N 4.74 -0.08 -3.88 1.67 -0.02 -1.26 -4.45 135.00 131.72 1mc3 n PRO 81 Ca -0.05 1.47 -0.12 0.00 -2.02 0.00 0.00 63.50 62.78 1mc3 n PRO 81 Cb 0.41 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 1mc3 n PRO 81 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1mc3 s SER 82 N -5.17 0.01 -0.73 2.55 0.15 -1.26 -4.79 113.70 104.46 1mc3 s SER 82 Ca -0.14 -0.04 -0.23 0.00 0.70 0.00 0.00 55.95 56.24 1mc3 s SER 82 Cb 0.26 0.05 -0.18 0.00 -1.71 0.00 0.00 66.02 64.45 1mc3 s SER 82 CO 0.74 -0.05 1.88 -0.81 1.20 0.00 0.00 173.24 176.20 1mc3 n PRO 83 N 2.84 1.28 -0.16 5.44 -0.04 -1.26 -4.76 135.00 138.34 1mc3 n PRO 83 Ca -0.14 -1.82 0.03 0.00 -0.04 0.00 0.00 63.50 61.54 1mc3 n PRO 83 Cb 0.59 -3.00 0.10 0.00 -0.04 0.00 0.00 33.50 31.16 1mc3 n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mc3 n ASP 84 N 8.94 1.59 0.00 3.54 8.00 -1.26 -4.98 116.55 132.38 1mc3 n ASP 84 Ca 0.48 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1mc3 n ASP 84 Cb 0.42 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1mc3 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mc3 n GLY 85 N 0.61 3.11 0.18 0.44 0.00 -1.26 0.26 105.19 108.53 1mc3 n GLY 85 Ca 0.08 -1.99 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 1mc3 n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mc3 h LEU 86 N 0.00 0.70 -1.81 0.99 3.38 -0.91 -3.26 115.31 114.41 1mc3 h LEU 86 Ca 0.00 -0.63 0.29 0.00 0.09 0.00 0.00 57.88 57.63 1mc3 h LEU 86 Cb 0.00 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1mc3 h LEU 86 CO 0.00 1.21 0.73 0.00 0.09 0.00 0.00 178.44 180.48 1mc3 h ALA 87 N 0.50 2.77 0.00 1.53 0.00 -1.44 -0.02 119.26 122.60 1mc3 h ALA 87 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1mc3 h ALA 87 Cb 1.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1mc3 h ALA 87 CO 0.11 -1.10 0.04 0.94 0.00 0.00 0.00 179.25 179.24 1mc3 n GLN 88 N -4.34 0.09 -0.25 0.00 7.27 -1.23 -2.05 117.38 116.87 1mc3 n GLN 88 Ca 0.23 0.58 -0.06 0.00 0.07 0.00 0.00 57.00 57.82 1mc3 n GLN 88 Cb 1.04 -1.84 0.05 0.00 2.41 0.00 0.00 30.24 31.90 1mc3 n GLN 88 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1mc3 h ALA 89 N 1.89 0.90 -0.16 1.69 0.00 -1.22 -0.00 119.26 122.36 1mc3 h ALA 89 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1mc3 h ALA 89 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1mc3 h ALA 89 CO 0.00 0.46 -0.43 0.74 0.00 0.00 0.00 179.25 180.02 1mc3 h PHE 90 N 0.97 0.46 0.39 0.00 -1.00 -1.64 0.72 116.94 116.84 1mc3 h PHE 90 Ca 0.24 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 1mc3 h PHE 90 Cb 0.12 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1mc3 h PHE 90 CO 0.01 0.76 -0.19 0.82 -1.61 0.00 0.00 178.31 178.10 1mc3 h ILE 91 N 0.32 0.00 -1.02 -0.55 2.04 -1.59 -0.93 117.51 115.79 1mc3 h ILE 91 Ca 0.02 -0.09 0.26 0.00 1.00 0.00 0.00 64.86 66.06 1mc3 h ILE 91 Cb 0.90 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 1mc3 h ILE 91 CO 0.07 0.00 0.67 0.40 0.00 0.00 0.00 178.15 179.30 1mc3 h ILE 92 N -0.62 0.55 -0.59 -0.67 2.04 -0.95 -0.60 117.51 116.68 1mc3 h ILE 92 Ca -0.05 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1mc3 h ILE 92 Cb 0.40 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1mc3 h ILE 92 CO 0.09 0.06 0.05 0.61 0.00 0.00 0.00 178.15 178.96 1mc3 n GLY 93 N -1.54 3.07 0.03 5.37 0.00 0.25 -4.66 105.19 107.71 1mc3 n GLY 93 Ca 0.23 -0.91 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 1mc3 n GLY 93 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mc3 h GLU 94 N 3.67 -0.08 -1.36 1.61 4.81 0.34 -0.41 114.58 123.17 1mc3 h GLU 94 Ca 0.05 0.01 0.43 0.00 -0.13 0.00 0.00 59.36 59.72 1mc3 h GLU 94 Cb 2.02 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 31.30 1mc3 h GLU 94 CO 0.53 -0.05 0.89 1.15 -0.73 0.00 0.00 179.01 180.80 1mc3 h THR 95 N -0.08 0.15 0.20 0.32 2.02 -1.83 -0.04 112.91 113.66 1mc3 h THR 95 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1mc3 h THR 95 Cb 0.06 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1mc3 h THR 95 CO 0.01 0.02 -0.09 0.15 0.37 0.00 0.00 175.52 175.97 1mc3 h PHE 96 N 0.09 -0.25 -0.48 3.16 3.57 -1.78 -3.22 116.94 118.03 1mc3 h PHE 96 Ca 0.80 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.35 1mc3 h PHE 96 Cb 2.60 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 41.39 1mc3 h PHE 96 CO -0.00 0.16 0.32 -0.07 -2.23 0.00 0.00 178.31 176.49 1mc3 h LEU 97 N -0.85 0.39 0.00 0.59 3.38 0.27 -3.47 115.31 115.62 1mc3 h LEU 97 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1mc3 h LEU 97 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1mc3 h LEU 97 CO 0.04 0.26 0.00 -3.20 0.09 0.00 0.00 178.44 175.63 1mc3 n ASN 98 N -4.48 0.00 -0.21 -0.43 2.85 -0.16 -1.90 115.26 110.94 1mc3 n ASN 98 Ca 0.06 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.55 1mc3 n ASN 98 Cb 0.22 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.28 1mc3 n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mc3 n GLY 99 N 0.00 1.08 3.83 8.20 0.00 -1.26 -4.89 105.19 112.14 1mc3 n GLY 99 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1mc3 n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mc3 s GLU 100 N -0.70 1.89 0.70 1.61 2.02 -0.80 -4.47 118.70 118.95 1mc3 s GLU 100 Ca 0.07 0.42 -0.11 0.00 0.02 0.00 0.00 54.97 55.38 1mc3 s GLU 100 Cb 0.04 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.37 1mc3 s GLU 100 CO 0.06 -1.71 1.06 -1.25 0.02 0.00 0.00 175.26 173.44 1mc3 s PRO 101 N -5.29 2.87 0.30 0.39 0.04 -1.26 -4.34 135.00 127.71 1mc3 s PRO 101 Ca 0.61 0.93 0.01 0.00 0.04 0.00 0.00 61.00 62.60 1mc3 s PRO 101 Cb -0.13 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1mc3 s PRO 101 CO 0.53 -1.14 0.32 -1.54 0.04 0.00 0.00 177.00 175.21 1mc3 s SER 102 N -3.80 1.02 -0.11 6.66 1.04 -1.25 -2.40 113.70 114.86 1mc3 s SER 102 Ca 0.58 -1.55 -0.04 0.00 0.48 0.00 0.00 55.95 55.43 1mc3 s SER 102 Cb -0.14 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1mc3 s SER 102 CO 0.55 -1.10 0.13 0.00 0.98 0.00 0.00 173.24 173.80 1mc3 s LEU 104 N 2.24 3.84 -0.08 0.00 2.96 -0.15 -0.71 118.68 126.78 1mc3 s LEU 104 Ca 0.04 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1mc3 s LEU 104 Cb -0.13 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.63 1mc3 s LEU 104 CO -0.07 0.26 -0.07 0.54 -1.32 0.00 0.00 176.35 175.69 1mc3 s VAL 105 N -0.15 0.84 0.51 1.68 0.11 -0.90 -0.53 120.40 121.96 1mc3 s VAL 105 Ca 0.07 -0.24 -0.22 0.00 -2.93 0.00 0.00 61.98 58.66 1mc3 s VAL 105 Cb -0.12 -0.85 -0.06 0.00 -1.53 0.00 0.00 36.38 33.82 1mc3 s VAL 105 CO 0.01 0.31 1.24 -0.76 -3.33 0.00 0.00 175.10 172.58 1mc3 s LEU 106 N 1.28 3.90 0.37 2.54 1.43 0.51 -3.07 118.68 125.64 1mc3 s LEU 106 Ca -0.04 2.49 0.27 0.00 -1.03 0.00 0.00 54.13 55.81 1mc3 s LEU 106 Cb -0.14 -4.30 0.87 0.00 0.03 0.00 0.00 46.19 42.65 1mc3 s LEU 106 CO -0.03 -1.25 1.77 1.23 0.23 0.00 0.00 176.35 178.31 1mc3 h GLY 107 N 1.67 0.00 -3.19 -3.19 0.00 -1.56 -3.27 103.07 93.52 1mc3 h GLY 107 Ca -0.50 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.67 1mc3 h GLY 107 CO 0.58 0.00 0.17 2.09 0.00 0.00 0.00 176.54 179.38 1mc3 n ASP 108 N -2.70 4.60 -4.61 0.19 5.75 -1.26 -4.59 116.55 113.93 1mc3 n ASP 108 Ca 0.03 -3.21 -0.34 0.00 -0.01 0.00 0.00 54.79 51.26 1mc3 n ASP 108 Cb 0.38 -0.70 -0.10 0.00 -1.03 0.00 0.00 41.12 39.67 1mc3 n ASP 108 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1mc3 s ASN 109 N -1.29 5.24 -0.14 -1.12 0.02 -1.24 -0.90 114.94 115.51 1mc3 s ASN 109 Ca 0.52 0.04 0.01 0.00 -1.02 0.00 0.00 52.86 52.41 1mc3 s ASN 109 Cb 0.42 -1.74 -0.01 0.00 0.02 0.00 0.00 41.25 39.95 1mc3 s ASN 109 CO 0.12 0.25 -0.16 -0.63 0.02 0.00 0.00 177.10 176.70 1mc3 s ILE 110 N -0.10 2.67 0.02 0.60 1.09 -0.81 -4.00 121.20 120.67 1mc3 s ILE 110 Ca 0.04 -0.78 0.07 0.00 -1.10 0.00 0.00 60.65 58.89 1mc3 s ILE 110 Cb -0.13 -2.11 -0.02 0.00 -1.06 0.00 0.00 42.46 39.14 1mc3 s ILE 110 CO 0.02 0.52 -0.22 -0.36 -0.10 0.00 0.00 174.94 174.80 1mc3 s PHE 111 N 0.61 1.96 -0.29 3.97 0.40 -1.26 -2.10 117.98 121.27 1mc3 s PHE 111 Ca -0.09 -0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 55.71 1mc3 s PHE 111 Cb -0.16 -1.20 0.14 0.00 0.51 0.00 0.00 43.02 42.31 1mc3 s PHE 111 CO 0.03 0.06 0.91 0.12 0.70 0.00 0.00 175.22 177.04 1mc3 s PHE 112 N -0.70 -0.74 0.09 0.36 5.36 -0.68 -4.99 117.98 116.67 1mc3 s PHE 112 Ca 0.09 1.39 -0.26 0.00 -0.96 0.00 0.00 56.93 57.19 1mc3 s PHE 112 Cb -0.09 0.44 0.08 0.00 -0.34 0.00 0.00 43.02 43.11 1mc3 s PHE 112 CO 0.01 -0.37 0.89 0.20 -1.46 0.00 0.00 175.22 174.49 1mc3 s GLY 113 N 1.85 -0.36 0.23 13.12 0.00 -1.26 0.28 107.32 121.18 1mc3 s GLY 113 Ca -0.07 0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.87 1mc3 s GLY 113 CO -0.17 0.16 1.07 1.62 0.00 0.00 0.00 173.10 175.78 1mc3 s GLN 114 N -3.28 4.67 -0.89 2.90 2.00 -1.26 -3.80 119.66 120.00 1mc3 s GLN 114 Ca 0.08 1.71 -0.05 0.00 -2.00 0.00 0.00 55.36 55.09 1mc3 s GLN 114 Cb -0.01 -3.24 -0.01 0.00 0.80 0.00 0.00 33.01 30.54 1mc3 s GLN 114 CO -0.04 0.22 0.74 0.41 -0.50 0.00 0.00 175.29 176.12 1mc3 n GLY 115 N 1.58 -1.19 0.23 2.59 0.00 -1.26 -4.93 105.19 102.21 1mc3 n GLY 115 Ca 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 1mc3 n GLY 115 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1mc3 n PHE 116 N -2.67 0.00 -0.29 1.61 7.35 -1.25 -4.43 117.46 117.79 1mc3 n PHE 116 Ca -0.09 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.64 1mc3 n PHE 116 Cb 0.57 -0.84 0.12 0.00 0.35 0.00 0.00 39.48 39.68 1mc3 n PHE 116 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1mc3 h SER 117 N -0.60 -0.69 0.34 -2.13 4.64 -1.89 -0.11 113.55 113.12 1mc3 h SER 117 Ca -0.57 0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1mc3 h SER 117 Cb 1.59 0.48 -0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1mc3 h SER 117 CO -0.28 -0.26 -0.21 -0.65 -0.87 0.00 0.00 176.83 174.56 1mc3 h PRO 118 N 0.01 -0.49 -0.86 4.77 0.11 -1.87 -0.09 132.00 133.58 1mc3 h PRO 118 Ca 0.41 0.03 0.28 0.00 0.11 0.00 0.00 66.00 66.83 1mc3 h PRO 118 Cb 0.66 0.11 -0.16 0.00 0.11 0.00 0.00 31.00 31.73 1mc3 h PRO 118 CO -0.83 -0.33 0.16 1.17 -0.21 0.00 0.00 178.00 177.97 1mc3 n LYS 119 N -3.57 -0.06 0.53 1.05 4.81 -0.74 0.48 118.16 120.66 1mc3 n LYS 119 Ca -0.06 1.25 -0.21 0.00 -0.87 0.00 0.00 58.31 58.42 1mc3 n LYS 119 Cb 0.21 -2.07 -0.10 0.00 0.02 0.00 0.00 35.03 33.10 1mc3 n LYS 119 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1mc3 h LEU 120 N 0.00 -1.15 -0.39 3.14 3.38 -0.42 -2.64 115.31 117.24 1mc3 h LEU 120 Ca 0.59 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.67 1mc3 h LEU 120 Cb 1.35 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 42.30 1mc3 h LEU 120 CO -0.76 -0.81 -0.33 0.03 0.09 0.00 0.00 178.44 176.65 1mc3 h ARG 121 N -1.36 -0.25 -0.27 1.13 2.47 0.19 0.15 114.38 116.43 1mc3 h ARG 121 Ca -0.14 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.65 1mc3 h ARG 121 Cb 1.04 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 29.34 1mc3 h ARG 121 CO 0.23 -0.17 -0.48 1.25 0.56 0.00 0.00 179.97 181.36 1mc3 h HIS 122 N -0.26 -1.43 -0.17 3.04 2.76 -1.17 0.29 115.15 118.20 1mc3 h HIS 122 Ca 0.17 0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.45 1mc3 h HIS 122 Cb 0.54 0.66 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 1mc3 h HIS 122 CO -0.54 -0.49 0.15 -0.39 -1.30 0.00 0.00 177.93 175.36 1mc3 h VAL 123 N -0.45 0.70 -0.03 5.26 -1.51 -0.95 0.46 116.25 119.73 1mc3 h VAL 123 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 1mc3 h VAL 123 Cb 0.62 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1mc3 h VAL 123 CO -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 175.83 1mc3 n ALA 124 N -2.46 2.61 0.22 5.19 0.00 0.87 -2.57 120.51 124.37 1mc3 n ALA 124 Ca 0.01 -0.24 0.11 0.00 0.00 0.00 0.00 53.44 53.33 1mc3 n ALA 124 Cb 0.28 -1.32 0.26 0.00 0.00 0.00 0.00 19.45 18.68 1mc3 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mc3 n ALA 125 N -0.58 2.42 -2.88 0.00 0.00 0.16 -4.87 120.51 114.77 1mc3 n ALA 125 Ca 0.18 -1.02 -0.44 0.00 0.00 0.00 0.00 53.44 52.15 1mc3 n ALA 125 Cb 0.15 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1mc3 n ALA 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1mc3 s ARG 126 N -1.37 3.05 -0.27 0.00 0.52 -1.06 -5.03 118.95 114.80 1mc3 s ARG 126 Ca 0.41 -1.16 -0.23 0.00 -0.52 0.00 0.00 55.73 54.23 1mc3 s ARG 126 Cb 0.23 -4.14 -0.01 0.00 0.52 0.00 0.00 34.95 31.54 1mc3 s ARG 126 CO 0.31 -1.19 0.74 -0.08 0.02 0.00 0.00 175.30 175.10 1mc3 s THR 127 N 2.20 4.88 0.00 0.02 -1.32 -1.26 -4.84 115.64 115.31 1mc3 s THR 127 Ca 0.10 1.29 0.00 0.00 -1.21 0.00 0.00 61.69 61.87 1mc3 s THR 127 Cb -0.22 -4.06 0.00 0.00 -1.51 0.00 0.00 72.50 66.71 1mc3 s THR 127 CO 0.09 -0.09 0.00 -1.84 -2.21 0.00 0.00 174.62 170.57 1mc3 n GLU 128 N 5.96 0.00 0.00 7.08 -0.00 -1.26 -5.10 120.64 127.31 1mc3 n GLU 128 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 1mc3 n GLU 128 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.92 1mc3 n GLU 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mc3 n GLY 129 N 1.57 -0.39 3.50 -1.84 0.00 -1.26 -4.96 105.19 101.81 1mc3 n GLY 129 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1mc3 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mc3 s ALA 130 N -1.81 -2.46 -0.03 4.61 0.00 -0.42 -3.86 121.76 117.78 1mc3 s ALA 130 Ca 0.00 2.16 0.02 0.00 0.00 0.00 0.00 51.96 54.14 1mc3 s ALA 130 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 1mc3 s ALA 130 CO 0.00 -0.83 -0.08 0.99 0.00 0.00 0.00 175.76 175.84 1mc3 s THR 131 N 2.35 3.59 0.13 0.00 2.01 -1.08 -0.60 115.64 122.04 1mc3 s THR 131 Ca -0.05 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.37 1mc3 s THR 131 Cb -0.07 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1mc3 s THR 131 CO -0.18 0.51 -0.15 0.68 -0.69 0.00 0.00 174.62 174.80 1mc3 s VAL 132 N -0.88 1.39 -0.28 3.82 -7.23 -1.17 -2.04 120.40 114.02 1mc3 s VAL 132 Ca 0.14 -1.73 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1mc3 s VAL 132 Cb -0.11 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.29 1mc3 s VAL 132 CO 0.04 -0.39 0.03 -0.36 -0.31 0.00 0.00 175.10 174.10 1mc3 s PHE 133 N -2.09 3.11 0.36 2.82 0.40 -1.24 -0.35 117.98 121.00 1mc3 s PHE 133 Ca 0.09 -1.18 -0.02 0.00 -0.60 0.00 0.00 56.93 55.22 1mc3 s PHE 133 Cb -0.05 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1mc3 s PHE 133 CO 0.03 -0.63 0.60 0.20 0.70 0.00 0.00 175.22 176.13 1mc3 s GLY 134 N 1.44 1.53 -0.06 4.36 0.00 -0.90 -0.61 107.32 113.09 1mc3 s GLY 134 Ca 0.02 -0.71 -0.07 0.00 0.00 0.00 0.00 44.72 43.96 1mc3 s GLY 134 CO -0.00 -0.62 0.18 -0.47 0.00 0.00 0.00 173.10 172.19 1mc3 s TYR 135 N -2.34 -0.17 -0.25 1.90 5.04 0.26 -2.73 117.35 119.07 1mc3 s TYR 135 Ca 0.43 0.41 -0.29 0.00 -2.44 0.00 0.00 57.07 55.18 1mc3 s TYR 135 Cb -0.10 0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.25 1mc3 s TYR 135 CO 0.36 -0.12 1.52 -0.65 -1.34 0.00 0.00 175.55 175.32 1mc3 s GLN 136 N -0.10 3.83 0.00 4.97 -0.21 -1.26 -0.61 119.66 126.28 1mc3 s GLN 136 Ca -0.02 1.53 0.00 0.00 0.02 0.00 0.00 55.36 56.89 1mc3 s GLN 136 Cb -0.02 -3.99 0.00 0.00 1.00 0.00 0.00 33.01 30.00 1mc3 s GLN 136 CO 0.00 -1.24 0.00 1.55 -2.12 0.00 0.00 175.29 173.48 1mc3 n VAL 137 N 6.35 0.00 0.00 1.09 3.14 -0.68 -4.95 118.33 123.28 1mc3 n VAL 137 Ca 0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 1mc3 n VAL 137 Cb 0.46 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 1mc3 n VAL 137 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1mc3 n ASP 139 N 0.00 0.00 0.00 6.55 4.64 -1.26 -4.87 116.55 121.61 1mc3 n ASP 139 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1mc3 n ASP 139 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1mc3 n ASP 139 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1mc3 n PRO 140 N 0.00 0.00 -0.03 -0.67 -0.02 -1.26 -3.27 135.00 129.75 1mc3 n PRO 140 Ca 0.00 0.04 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 1mc3 n PRO 140 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1mc3 n PRO 140 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mc3 h GLU 141 N 0.00 0.00 -0.71 -0.52 3.07 -1.94 -3.36 114.58 111.12 1mc3 h GLU 141 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1mc3 h GLU 141 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1mc3 h GLU 141 CO 0.00 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 1mc3 n ARG 142 N -3.37 0.39 -3.99 2.33 1.74 -1.20 -4.00 116.66 108.55 1mc3 n ARG 142 Ca -0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 1mc3 n ARG 142 Cb 0.03 -1.22 -0.11 0.00 -1.02 0.00 0.00 32.46 30.14 1mc3 n ARG 142 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1mc3 s PHE 143 N -0.58 0.29 -0.11 -1.55 -0.00 -1.26 -5.00 117.98 109.79 1mc3 s PHE 143 Ca 0.00 -0.61 -0.30 0.00 -0.00 0.00 0.00 56.93 56.02 1mc3 s PHE 143 Cb 0.00 -0.22 -0.03 0.00 -0.00 0.00 0.00 43.02 42.77 1mc3 s PHE 143 CO 0.00 -0.25 1.34 0.20 -0.00 0.00 0.00 175.22 176.50 1mc3 s GLY 144 N -1.82 1.73 0.06 1.99 0.00 -1.26 -3.83 107.32 104.19 1mc3 s GLY 144 Ca -0.10 0.62 -0.00 0.00 0.00 0.00 0.00 44.72 45.24 1mc3 s GLY 144 CO -0.03 2.54 0.22 0.14 0.00 0.00 0.00 173.10 175.97 1mc3 s VAL 145 N 3.23 5.38 -0.06 1.40 1.01 -1.04 -0.43 120.40 129.88 1mc3 s VAL 145 Ca 0.59 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1mc3 s VAL 145 Cb -0.25 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1mc3 s VAL 145 CO 0.20 0.14 -0.01 0.54 0.00 0.00 0.00 175.10 175.96 1mc3 s VAL 146 N -1.51 0.41 0.63 2.92 0.11 -0.77 -2.90 120.40 119.29 1mc3 s VAL 146 Ca 0.35 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.45 1mc3 s VAL 146 Cb -0.13 -0.53 0.07 0.00 -1.53 0.00 0.00 36.38 34.26 1mc3 s VAL 146 CO 0.28 0.24 0.88 -0.70 -3.33 0.00 0.00 175.10 172.47 1mc3 s GLU 147 N 1.61 2.17 0.00 1.54 2.12 -0.40 -4.61 118.70 121.13 1mc3 s GLU 147 Ca -0.00 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.44 1mc3 s GLU 147 Cb -0.13 -2.40 0.00 0.00 0.26 0.00 0.00 34.13 31.86 1mc3 s GLU 147 CO -0.04 -1.05 0.00 1.97 -0.54 0.00 0.00 175.26 175.61 1mc3 n PHE 148 N -2.58 0.00 -3.67 5.30 -1.74 -1.26 -1.88 117.46 111.63 1mc3 n PHE 148 Ca 0.11 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.90 1mc3 n PHE 148 Cb 0.60 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.58 1mc3 n PHE 148 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1mc3 s ASP 149 N 0.00 -0.38 0.00 5.98 1.11 -1.09 -4.90 116.67 117.39 1mc3 s ASP 149 Ca 0.00 -0.35 0.00 0.00 0.18 0.00 0.00 52.55 52.38 1mc3 s ASP 149 Cb 0.00 0.65 0.00 0.00 1.07 0.00 0.00 42.92 44.64 1mc3 s ASP 149 CO 0.00 -1.15 0.00 -0.90 1.18 0.00 0.00 175.17 174.30 1mc3 n ASP 150 N -0.41 0.00 0.00 0.27 5.68 -1.26 0.14 116.55 120.97 1mc3 n ASP 150 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1mc3 n ASP 150 Cb 0.62 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1mc3 n ASP 150 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1mc3 n ASN 151 N 0.00 -0.41 0.00 -1.12 0.23 -1.26 -4.75 115.26 107.94 1mc3 n ASN 151 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1mc3 n ASN 151 Cb 0.00 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1mc3 n ASN 151 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1mc3 n PHE 152 N -2.14 0.00 0.00 -2.53 7.35 0.37 -4.56 117.46 115.95 1mc3 n PHE 152 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1mc3 n PHE 152 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1mc3 n PHE 152 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1mc3 n ARG 153 N 0.00 0.00 -0.00 -4.13 0.00 -1.26 -2.67 116.66 108.60 1mc3 n ARG 153 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1mc3 n ARG 153 Cb 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 32.46 31.93 1mc3 n ARG 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mc3 n ALA 154 N 0.00 -2.82 0.38 2.89 0.00 -1.25 -4.37 120.51 115.35 1mc3 n ALA 154 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1mc3 n ALA 154 Cb 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 1mc3 n ALA 154 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1mc3 n ILE 155 N -0.56 0.00 -3.63 0.00 -6.64 -0.79 -4.85 119.36 102.90 1mc3 n ILE 155 Ca 0.00 -0.35 -0.07 0.00 -1.77 0.00 0.00 62.75 60.55 1mc3 n ILE 155 Cb 0.00 1.04 -0.06 0.00 -1.44 0.00 0.00 39.64 39.18 1mc3 n ILE 155 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 1mc3 s SER 156 N -1.54 -0.31 -0.58 7.28 1.04 -1.26 -4.96 113.70 113.37 1mc3 s SER 156 Ca 0.05 0.52 0.06 0.00 0.48 0.00 0.00 55.95 57.07 1mc3 s SER 156 Cb 0.06 0.51 0.26 0.00 0.10 0.00 0.00 66.02 66.95 1mc3 s SER 156 CO 0.28 -0.15 0.72 0.18 0.98 0.00 0.00 173.24 175.25 1mc3 n LEU 157 N 1.61 3.08 -4.59 2.42 4.32 -1.26 -1.27 117.00 121.31 1mc3 n LEU 157 Ca -0.10 -5.31 -0.43 0.00 -0.02 0.00 0.00 56.01 50.14 1mc3 n LEU 157 Cb 0.57 -0.38 -0.03 0.00 -1.62 0.00 0.00 43.42 41.96 1mc3 n LEU 157 CO 0.05 2.09 0.96 -1.61 -1.22 0.00 0.00 177.39 177.67 1mc3 s GLU 158 N -2.32 3.65 -0.01 3.23 0.41 -1.14 -4.89 118.70 117.63 1mc3 s GLU 158 Ca 0.40 0.43 -0.15 0.00 -0.41 0.00 0.00 54.97 55.24 1mc3 s GLU 158 Cb 0.17 -3.92 -0.06 0.00 -1.78 0.00 0.00 34.13 28.54 1mc3 s GLU 158 CO -0.04 -1.37 0.41 -2.00 -0.49 0.00 0.00 175.26 171.77 1mc3 s GLU 159 N 4.33 3.95 -1.31 1.61 -6.30 -1.26 -2.50 118.70 117.21 1mc3 s GLU 159 Ca 0.45 0.41 -0.02 0.00 -2.50 0.00 0.00 54.97 53.31 1mc3 s GLU 159 Cb -0.08 -3.24 0.01 0.00 0.00 0.00 0.00 34.13 30.82 1mc3 s GLU 159 CO 0.30 0.65 0.80 1.63 0.02 0.00 0.00 175.26 178.66 1mc3 n LYS 160 N 1.95 -5.39 -1.63 4.30 5.02 -1.25 -4.79 118.16 116.37 1mc3 n LYS 160 Ca -0.14 0.67 -0.51 0.00 -2.02 0.00 0.00 58.31 56.31 1mc3 n LYS 160 Cb 0.52 -5.36 -0.06 0.00 -0.02 0.00 0.00 35.03 30.12 1mc3 n LYS 160 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1mc3 n PRO 161 N -4.31 1.42 0.22 1.97 -0.04 -1.26 -4.82 135.00 128.18 1mc3 n PRO 161 Ca -0.26 0.51 0.16 0.00 -0.04 0.00 0.00 63.50 63.87 1mc3 n PRO 161 Cb 0.66 -2.20 0.71 0.00 -0.04 0.00 0.00 33.50 32.63 1mc3 n PRO 161 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1mc3 h LYS 162 N 5.46 0.00 0.00 0.54 -0.00 -1.95 -3.44 116.57 117.19 1mc3 h LYS 162 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 1mc3 h LYS 162 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.54 1mc3 h LYS 162 CO 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 179.45 180.28 1mc3 n GLN 163 N -2.67 0.00 0.00 0.07 0.00 -1.26 -5.17 117.38 108.35 1mc3 n GLN 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1mc3 n GLN 163 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.43 1mc3 n GLN 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1mc3 n PRO 164 N -0.89 0.00 0.00 2.61 -0.04 -1.26 -5.11 135.00 130.32 1mc3 n PRO 164 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mc3 n PRO 164 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1mc3 n PRO 164 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1mc3 n LYS 165 N 0.00 0.00 -3.06 0.54 0.00 -1.26 -4.87 118.16 109.51 1mc3 n LYS 165 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.15 1mc3 n LYS 165 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 1mc3 n LYS 165 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1mc3 n SER 166 N 0.15 2.28 -0.55 -5.58 2.88 -1.26 -5.07 113.62 106.47 1mc3 n SER 166 Ca 0.00 -2.13 0.07 0.00 -1.33 0.00 0.00 58.87 55.48 1mc3 n SER 166 Cb 0.00 0.06 0.17 0.00 -0.75 0.00 0.00 64.21 63.69 1mc3 n SER 166 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1mc3 n ASN 167 N -1.63 3.06 -4.40 -3.46 2.04 -1.26 -4.86 115.26 104.74 1mc3 n ASN 167 Ca -0.05 -2.55 -0.44 0.00 -0.44 0.00 0.00 54.58 51.09 1mc3 n ASN 167 Cb 0.35 -0.35 -0.05 0.00 -2.53 0.00 0.00 39.78 37.21 1mc3 n ASN 167 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1mc3 s TRP 168 N -1.98 2.94 0.56 -2.53 0.52 -1.26 -1.68 118.94 115.51 1mc3 s TRP 168 Ca 0.28 -0.83 -0.18 0.00 0.02 0.00 0.00 56.10 55.40 1mc3 s TRP 168 Cb 0.21 -4.02 -0.05 0.00 -1.15 0.00 0.00 33.47 28.46 1mc3 s TRP 168 CO 0.09 -1.33 1.07 0.00 0.02 0.00 0.00 176.95 176.79 1mc3 s ALA 169 N 2.95 2.75 -0.18 0.98 0.00 0.22 -1.85 121.76 126.63 1mc3 s ALA 169 Ca 0.14 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 1mc3 s ALA 169 Cb -0.22 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1mc3 s ALA 169 CO 0.08 -0.70 0.05 0.08 0.00 0.00 0.00 175.76 175.27 1mc3 s VAL 170 N -2.21 4.73 0.91 0.00 1.01 0.43 0.91 120.40 126.18 1mc3 s VAL 170 Ca 0.66 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.47 1mc3 s VAL 170 Cb -0.18 -3.13 0.20 0.00 0.00 0.00 0.00 36.38 33.28 1mc3 s VAL 170 CO 0.31 0.47 1.24 0.35 0.00 0.00 0.00 175.10 177.47 1mc3 n THR 171 N 3.51 0.00 0.18 3.92 -2.24 0.22 -4.69 114.28 115.19 1mc3 n THR 171 Ca -0.17 -1.21 -0.07 0.00 -2.27 0.00 0.00 64.05 60.34 1mc3 n THR 171 Cb 0.52 -1.29 0.04 0.00 -2.10 0.00 0.00 70.33 67.50 1mc3 n THR 171 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mc3 n GLY 172 N -3.52 2.78 3.05 3.38 0.00 -1.26 -4.68 105.19 104.93 1mc3 n GLY 172 Ca 0.17 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1mc3 n GLY 172 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mc3 s LEU 173 N -0.84 4.89 0.11 0.99 2.96 -1.26 -0.36 118.68 125.17 1mc3 s LEU 173 Ca 0.15 -2.17 0.09 0.00 -0.22 0.00 0.00 54.13 51.98 1mc3 s LEU 173 Cb 0.12 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1mc3 s LEU 173 CO 0.02 -0.42 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.12 1mc3 s TYR 174 N 0.90 2.48 0.00 5.38 1.51 0.31 -3.60 117.35 124.34 1mc3 s TYR 174 Ca 0.11 -0.29 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 1mc3 s TYR 174 Cb -0.20 -1.33 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1mc3 s TYR 174 CO -0.07 0.37 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.50 1mc3 s PHE 175 N -1.11 1.65 0.00 2.71 0.40 -0.86 -0.98 117.98 119.79 1mc3 s PHE 175 Ca 0.17 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1mc3 s PHE 175 Cb -0.10 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1mc3 s PHE 175 CO 0.09 -0.00 0.00 0.66 0.70 0.00 0.00 175.22 176.67 1mc3 n TYR 176 N 2.43 0.00 -3.77 0.36 4.02 -0.48 -2.63 117.16 117.09 1mc3 n TYR 176 Ca -0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.64 1mc3 n TYR 176 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.81 1mc3 n TYR 176 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1mc3 s ASP 177 N 1.00 -0.19 0.04 7.72 1.47 -1.25 -3.86 116.67 121.59 1mc3 s ASP 177 Ca 0.00 -0.54 -0.07 0.00 1.18 0.00 0.00 52.55 53.11 1mc3 s ASP 177 Cb 0.00 0.54 -0.02 0.00 -0.34 0.00 0.00 42.92 43.10 1mc3 s ASP 177 CO 0.00 -1.00 0.41 -1.20 0.68 0.00 0.00 175.17 174.06 1mc3 n SER 178 N -0.30 -0.24 0.00 2.11 7.64 -1.26 0.01 113.62 121.57 1mc3 n SER 178 Ca -0.10 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1mc3 n SER 178 Cb 0.63 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1mc3 n SER 178 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1mc3 n LYS 179 N -3.97 0.00 -0.11 1.43 4.01 -1.26 -2.32 118.16 115.95 1mc3 n LYS 179 Ca 0.00 0.04 -0.10 0.00 -0.51 0.00 0.00 58.31 57.74 1mc3 n LYS 179 Cb 0.06 -1.86 -0.03 0.00 -0.51 0.00 0.00 35.03 32.69 1mc3 n LYS 179 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1mc3 h VAL 180 N 0.00 1.23 -0.01 -0.18 3.04 -0.83 -1.94 116.25 117.56 1mc3 h VAL 180 Ca 0.00 -0.81 -0.03 0.00 -1.01 0.00 0.00 66.70 64.86 1mc3 h VAL 180 Cb 0.73 1.15 -0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1mc3 h VAL 180 CO 0.00 0.27 -0.13 0.58 -1.01 0.00 0.00 177.57 177.28 1mc3 h VAL 181 N 0.36 1.10 0.00 1.51 2.07 -1.72 -1.29 116.25 118.27 1mc3 h VAL 181 Ca 0.10 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1mc3 h VAL 181 Cb 0.34 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1mc3 h VAL 181 CO 0.01 0.13 0.00 1.21 0.02 0.00 0.00 177.57 178.94 1mc3 n GLU 182 N -4.38 0.00 -0.28 1.57 0.00 -0.99 -1.48 120.64 115.08 1mc3 n GLU 182 Ca -0.02 0.46 0.27 0.00 0.00 0.00 0.00 57.16 57.86 1mc3 n GLU 182 Cb 0.20 -1.43 0.61 0.00 0.00 0.00 0.00 31.44 30.82 1mc3 n GLU 182 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 1mc3 h TYR 183 N 0.00 0.34 -0.07 4.31 0.99 -1.15 0.53 116.97 121.93 1mc3 h TYR 183 Ca 0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1mc3 h TYR 183 Cb 0.00 -0.10 -0.00 0.00 1.00 0.00 0.00 36.73 37.63 1mc3 h TYR 183 CO 0.15 0.04 -0.02 0.00 -0.00 0.00 0.00 178.16 178.34 1mc3 h ALA 184 N 1.55 0.09 -0.38 3.88 0.00 -1.16 -2.99 119.26 120.25 1mc3 h ALA 184 Ca 0.54 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.35 1mc3 h ALA 184 Cb 1.69 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1mc3 h ALA 184 CO -0.15 -0.19 0.43 0.87 0.00 0.00 0.00 179.25 180.21 1mc3 h LYS 185 N -0.21 0.00 -4.28 0.00 1.57 0.25 -3.21 116.57 110.69 1mc3 h LYS 185 Ca 0.02 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.12 1mc3 h LYS 185 Cb 0.41 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.35 1mc3 h LYS 185 CO 0.01 0.00 -0.60 1.14 -0.57 0.00 0.00 179.45 179.43 1mc3 s GLN 186 N -4.59 1.89 -0.27 3.15 -2.07 -1.13 -5.03 119.66 111.60 1mc3 s GLN 186 Ca -0.04 -2.05 -0.13 0.00 -1.82 0.00 0.00 55.36 51.32 1mc3 s GLN 186 Cb 0.15 -3.44 0.10 0.00 -1.09 0.00 0.00 33.01 28.73 1mc3 s GLN 186 CO 0.53 -1.05 0.64 0.08 -1.32 0.00 0.00 175.29 174.18 1mc3 s VAL 187 N 0.69 -0.43 0.10 3.63 1.01 -1.21 -4.85 120.40 119.33 1mc3 s VAL 187 Ca 0.12 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 1mc3 s VAL 187 Cb -0.22 -0.95 -0.07 0.00 0.00 0.00 0.00 36.38 35.14 1mc3 s VAL 187 CO -0.05 0.01 0.62 -1.59 0.00 0.00 0.00 175.10 174.09 1mc3 s LYS 188 N 2.17 4.29 0.19 2.72 0.00 -1.26 -4.95 119.74 122.90 1mc3 s LYS 188 Ca -0.08 0.84 -0.32 0.00 0.00 0.00 0.00 55.97 56.41 1mc3 s LYS 188 Cb -0.08 -3.23 -0.12 0.00 0.00 0.00 0.00 37.83 34.39 1mc3 s LYS 188 CO -0.19 0.62 1.73 -2.30 0.00 0.00 0.00 175.35 175.21 1mc3 n PRO 189 N 1.65 2.72 -0.64 1.78 -0.02 -1.26 -4.72 135.00 134.52 1mc3 n PRO 189 Ca -0.09 0.98 -0.29 0.00 -2.02 0.00 0.00 63.50 62.09 1mc3 n PRO 189 Cb 0.50 -2.83 0.25 0.00 -0.02 0.00 0.00 33.50 31.40 1mc3 n PRO 189 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1mc3 s SER 190 N 1.37 0.84 0.17 2.55 1.04 -1.07 -4.72 113.70 113.89 1mc3 s SER 190 Ca 0.76 1.30 -0.17 0.00 0.48 0.00 0.00 55.95 58.32 1mc3 s SER 190 Cb -0.52 -2.00 0.10 0.00 0.10 0.00 0.00 66.02 63.70 1mc3 s SER 190 CO 0.33 -4.26 1.66 1.05 0.98 0.00 0.00 173.24 173.01 1mc3 h GLU 191 N -2.66 -0.02 -0.90 4.02 9.09 -1.93 0.78 114.58 122.95 1mc3 h GLU 191 Ca -0.58 0.00 0.19 0.00 0.05 0.00 0.00 59.36 59.02 1mc3 h GLU 191 Cb 1.34 0.01 -0.11 0.00 -1.65 0.00 0.00 28.75 28.33 1mc3 h GLU 191 CO 0.48 -0.02 0.44 0.07 0.05 0.00 0.00 179.01 180.04 1mc3 h ARG 192 N -0.02 0.50 0.00 1.06 -0.00 -2.02 -3.46 114.38 110.44 1mc3 h ARG 192 Ca 0.20 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.15 1mc3 h ARG 192 Cb 0.32 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.18 1mc3 h ARG 192 CO -0.43 0.33 0.00 0.41 -0.00 0.00 0.00 179.97 180.28 1mc3 n GLY 193 N -1.33 0.74 3.60 0.08 0.00 0.27 -5.14 105.19 103.41 1mc3 n GLY 193 Ca 0.21 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1mc3 n GLY 193 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mc3 s GLU 194 N -0.93 0.75 -0.59 1.61 -1.05 -1.25 -4.83 118.70 112.40 1mc3 s GLU 194 Ca 0.00 0.59 -0.26 0.00 -0.15 0.00 0.00 54.97 55.15 1mc3 s GLU 194 Cb 0.00 0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 34.00 1mc3 s GLU 194 CO 0.00 -0.15 2.11 -0.51 0.95 0.00 0.00 175.26 177.66 1mc3 s LEU 195 N -0.23 3.30 -0.03 1.83 1.43 0.14 -2.60 118.68 122.53 1mc3 s LEU 195 Ca -0.02 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 1mc3 s LEU 195 Cb -0.03 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 1mc3 s LEU 195 CO 0.01 -2.69 0.94 -1.61 0.23 0.00 0.00 176.35 173.23 1mc3 s GLU 196 N 7.63 4.52 0.59 1.70 0.41 -1.26 -0.17 118.70 132.12 1mc3 s GLU 196 Ca 0.81 1.32 0.30 0.00 -0.41 0.00 0.00 54.97 56.99 1mc3 s GLU 196 Cb -0.14 -3.47 1.82 0.00 -1.78 0.00 0.00 34.13 30.57 1mc3 s GLU 196 CO 0.21 -0.07 2.24 0.97 -0.49 0.00 0.00 175.26 178.11 1mc3 h ILE 197 N 4.83 0.49 -0.81 -1.63 6.09 -1.91 -1.36 117.51 123.22 1mc3 h ILE 197 Ca -0.40 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.09 1mc3 h ILE 197 Cb 1.21 0.97 -0.04 0.00 0.47 0.00 0.00 36.82 39.43 1mc3 h ILE 197 CO 0.76 0.00 0.50 0.74 -3.07 0.00 0.00 178.15 177.08 1mc3 h THR 198 N 0.00 1.22 -0.96 2.19 2.02 -1.99 -2.27 112.91 113.12 1mc3 h THR 198 Ca 0.01 -0.47 0.11 0.00 0.77 0.00 0.00 66.41 66.84 1mc3 h THR 198 Cb 0.08 0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 66.49 1mc3 h THR 198 CO -0.00 0.23 0.61 0.28 0.37 0.00 0.00 175.52 177.01 1mc3 h SER 199 N 1.11 0.88 0.29 4.18 0.02 -1.65 0.49 113.55 118.86 1mc3 h SER 199 Ca 0.29 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.16 1mc3 h SER 199 Cb -0.06 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1mc3 h SER 199 CO -0.06 0.49 -0.48 0.40 -1.14 0.00 0.00 176.83 176.03 1mc3 h ILE 200 N 0.95 1.34 0.00 3.27 2.04 -1.52 -2.73 117.51 120.86 1mc3 h ILE 200 Ca 0.47 -1.70 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 1mc3 h ILE 200 Cb 0.47 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1mc3 h ILE 200 CO -0.23 0.50 -0.39 0.78 0.00 0.00 0.00 178.15 178.82 1mc3 h ASN 201 N 0.18 0.00 0.00 1.72 2.35 -0.63 -3.21 115.58 115.99 1mc3 h ASN 201 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1mc3 h ASN 201 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1mc3 h ASN 201 CO 0.07 0.39 0.00 1.67 -1.65 0.00 0.00 177.43 177.91 1mc3 n GLN 202 N -3.31 0.03 0.00 0.81 -0.06 0.01 -2.52 117.38 112.34 1mc3 n GLN 202 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1mc3 n GLN 202 Cb 0.61 -1.01 0.00 0.00 -4.06 0.00 0.00 30.24 25.78 1mc3 n GLN 202 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1mc3 n TYR 204 N 0.48 0.00 -0.01 3.69 4.02 -1.22 -2.19 117.16 121.94 1mc3 n TYR 204 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1mc3 n TYR 204 Cb 0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.24 1mc3 n TYR 204 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1mc3 h LEU 205 N 0.00 0.03 -0.00 7.72 5.85 -1.82 0.70 115.31 127.79 1mc3 h LEU 205 Ca 0.00 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1mc3 h LEU 205 Cb 0.00 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1mc3 h LEU 205 CO 0.00 0.40 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.17 1mc3 h GLU 206 N -0.34 0.00 0.00 1.25 5.08 -1.75 0.86 114.58 119.69 1mc3 h GLU 206 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mc3 h GLU 206 Cb 0.39 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1mc3 h GLU 206 CO 0.00 0.36 0.24 0.00 -1.00 0.00 0.00 179.01 178.61 1mc3 n ALA 207 N -2.28 0.63 -2.68 3.43 0.00 -1.21 -4.75 120.51 113.65 1mc3 n ALA 207 Ca -0.08 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 1mc3 n ALA 207 Cb 0.19 -0.71 0.02 0.00 0.00 0.00 0.00 19.45 18.95 1mc3 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mc3 n GLY 208 N -1.29 -0.24 2.66 0.00 0.00 0.30 -4.94 105.19 101.68 1mc3 n GLY 208 Ca -0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1mc3 n GLY 208 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mc3 n ASN 209 N -1.34 2.26 -3.99 1.61 2.04 0.12 -4.97 115.26 110.99 1mc3 n ASN 209 Ca -0.11 -2.42 -0.36 0.00 -0.44 0.00 0.00 54.58 51.24 1mc3 n ASN 209 Cb 0.61 -0.46 -0.05 0.00 -2.53 0.00 0.00 39.78 37.35 1mc3 n ASN 209 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1mc3 n LEU 210 N -0.59 4.63 -4.56 -4.53 7.94 -1.17 -1.30 117.00 117.41 1mc3 n LEU 210 Ca 0.15 -5.19 -0.29 0.00 -1.11 0.00 0.00 56.01 49.56 1mc3 n LEU 210 Cb 0.83 -1.09 0.22 0.00 0.53 0.00 0.00 43.42 43.92 1mc3 n LEU 210 CO 0.15 1.66 0.57 0.28 -1.11 0.00 0.00 177.39 178.94 1mc3 s THR 211 N -1.82 2.10 -0.11 1.96 -1.32 0.24 -4.13 115.64 112.55 1mc3 s THR 211 Ca 0.31 0.03 -0.04 0.00 -1.21 0.00 0.00 61.69 60.78 1mc3 s THR 211 Cb -0.01 -2.17 0.05 0.00 -1.51 0.00 0.00 72.50 68.85 1mc3 s THR 211 CO -0.06 -0.04 0.08 -0.69 -2.21 0.00 0.00 174.62 171.69 1mc3 s VAL 212 N -2.59 -0.11 0.02 5.08 1.01 -1.26 -3.02 120.40 119.54 1mc3 s VAL 212 Ca 0.67 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.52 1mc3 s VAL 212 Cb -0.23 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 1mc3 s VAL 212 CO 0.62 -0.06 0.77 -0.70 0.00 0.00 0.00 175.10 175.73 1mc3 s GLU 213 N 2.16 4.49 -0.35 2.72 2.56 0.53 -4.81 118.70 126.01 1mc3 s GLU 213 Ca 0.03 1.06 -0.16 0.00 0.00 0.00 0.00 54.97 55.90 1mc3 s GLU 213 Cb -0.14 -3.38 -0.01 0.00 2.00 0.00 0.00 34.13 32.60 1mc3 s GLU 213 CO -0.06 0.23 0.40 -1.17 -0.56 0.00 0.00 175.26 174.09 1mc3 s LEU 214 N 0.15 4.44 -0.62 2.70 1.98 -1.26 -2.11 118.68 123.96 1mc3 s LEU 214 Ca 0.39 -0.21 -0.20 0.00 -2.89 0.00 0.00 54.13 51.22 1mc3 s LEU 214 Cb -0.20 -2.40 0.09 0.00 0.66 0.00 0.00 46.19 44.34 1mc3 s LEU 214 CO 0.23 -0.38 0.80 -0.76 -1.89 0.00 0.00 176.35 174.34 1mc3 s LEU 215 N 2.11 5.04 0.00 -0.68 1.43 -1.10 -4.99 118.68 120.48 1mc3 s LEU 215 Ca 0.13 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1mc3 s LEU 215 Cb -0.16 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1mc3 s LEU 215 CO 0.12 -1.23 0.00 0.61 0.23 0.00 0.00 176.35 176.08 1mc3 n GLY 216 N 5.30 -2.85 0.00 -3.19 0.00 -1.26 -4.61 105.19 98.58 1mc3 n GLY 216 Ca -0.07 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1mc3 n GLY 216 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mc3 n ARG 217 N -1.17 0.00 0.00 1.61 1.85 -1.26 -3.14 116.66 114.55 1mc3 n ARG 217 Ca 0.00 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 57.25 1mc3 n ARG 217 Cb 0.00 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.03 1mc3 n ARG 217 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1mc3 n GLY 218 N -0.78 0.00 3.82 2.89 0.00 -1.26 -4.61 105.19 105.24 1mc3 n GLY 218 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1mc3 n GLY 218 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mc3 s PHE 219 N -1.14 3.61 -0.08 1.61 0.40 -1.19 -4.33 117.98 116.87 1mc3 s PHE 219 Ca 0.00 0.74 0.01 0.00 -0.60 0.00 0.00 56.93 57.08 1mc3 s PHE 219 Cb 0.00 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 1mc3 s PHE 219 CO 0.00 0.55 -0.08 0.00 0.70 0.00 0.00 175.22 176.39 1mc3 s ALA 220 N -0.61 2.90 -0.02 5.36 0.00 0.14 -4.97 121.76 124.57 1mc3 s ALA 220 Ca 0.19 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1mc3 s ALA 220 Cb -0.14 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.77 1mc3 s ALA 220 CO 0.08 0.49 0.02 -0.46 0.00 0.00 0.00 175.76 175.89 1mc3 s TRP 221 N -0.53 0.06 0.04 0.00 -0.00 -1.26 -1.69 118.94 115.55 1mc3 s TRP 221 Ca 0.08 0.08 0.00 0.00 -0.00 0.00 0.00 56.10 56.26 1mc3 s TRP 221 Cb -0.12 -0.20 -0.03 0.00 -0.00 0.00 0.00 33.47 33.13 1mc3 s TRP 221 CO 0.02 -0.07 -0.04 -0.51 -0.00 0.00 0.00 176.95 176.35 1mc3 s LEU 222 N 0.78 2.33 -0.62 5.86 1.43 -0.89 -4.99 118.68 122.57 1mc3 s LEU 222 Ca -0.07 -0.68 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1mc3 s LEU 222 Cb -0.10 0.07 0.16 0.00 0.03 0.00 0.00 46.19 46.36 1mc3 s LEU 222 CO -0.02 -0.38 0.42 -0.62 0.23 0.00 0.00 176.35 175.98 1mc3 s ASP 223 N -1.98 4.32 -0.78 2.29 -1.08 -1.26 -1.92 116.67 116.25 1mc3 s ASP 223 Ca -0.07 -3.53 -0.25 0.00 -0.52 0.00 0.00 52.55 48.17 1mc3 s ASP 223 Cb -0.04 -1.48 -0.08 0.00 -1.46 0.00 0.00 42.92 39.86 1mc3 s ASP 223 CO -0.03 -0.13 2.16 0.42 0.52 0.00 0.00 175.17 178.10 1mc3 s THR 224 N -0.96 3.23 0.00 1.71 -4.23 -0.08 -4.53 115.64 110.78 1mc3 s THR 224 Ca 0.24 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1mc3 s THR 224 Cb -0.09 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1mc3 s THR 224 CO -0.13 -0.49 0.38 0.61 -0.54 0.00 0.00 174.62 174.45 1mc3 n GLY 225 N 6.62 -2.01 3.21 3.99 0.00 -1.26 -4.82 105.19 110.92 1mc3 n GLY 225 Ca 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 1mc3 n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mc3 s THR 226 N 0.00 1.04 0.19 2.61 -4.23 -1.26 -4.09 115.64 109.89 1mc3 s THR 226 Ca 0.00 -1.84 -0.13 0.00 -1.18 0.00 0.00 61.69 58.54 1mc3 s THR 226 Cb 0.00 -1.60 0.11 0.00 1.34 0.00 0.00 72.50 72.35 1mc3 s THR 226 CO 0.00 -0.65 1.71 0.45 -0.54 0.00 0.00 174.62 175.59 1mc3 h HIS 227 N 3.19 0.13 -0.44 3.99 3.86 -1.95 -1.69 115.15 122.24 1mc3 h HIS 227 Ca -0.37 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 58.76 1mc3 h HIS 227 Cb 1.19 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.66 1mc3 h HIS 227 CO 0.64 -0.03 -0.16 -0.44 0.86 0.00 0.00 177.93 178.80 1mc3 h ASP 228 N 0.21 0.83 0.99 2.45 3.32 -1.97 -2.93 116.42 119.33 1mc3 h ASP 228 Ca 0.25 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1mc3 h ASP 228 Cb 0.35 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1mc3 h ASP 228 CO -0.34 0.99 -0.38 0.77 -1.72 0.00 0.00 179.24 178.55 1mc3 h SER 229 N 0.74 0.00 -0.58 6.45 4.64 -1.87 -2.06 113.55 120.87 1mc3 h SER 229 Ca 0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1mc3 h SER 229 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1mc3 h SER 229 CO 0.05 0.38 -0.01 0.25 -0.87 0.00 0.00 176.83 176.63 1mc3 h LEU 230 N 0.00 1.02 -0.31 5.97 5.85 -1.18 -1.52 115.31 125.14 1mc3 h LEU 230 Ca -0.00 -0.29 -0.18 0.00 0.84 0.00 0.00 57.88 58.24 1mc3 h LEU 230 Cb 0.98 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1mc3 h LEU 230 CO 0.05 1.08 -0.50 0.40 -0.34 0.00 0.00 178.44 179.13 1mc3 h ILE 231 N 0.95 1.27 -0.65 4.05 2.04 -1.31 -2.53 117.51 121.34 1mc3 h ILE 231 Ca 0.17 -1.68 0.01 0.00 1.00 0.00 0.00 64.86 64.36 1mc3 h ILE 231 Cb 0.57 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1mc3 h ILE 231 CO 0.03 0.55 0.42 -0.33 0.00 0.00 0.00 178.15 178.82 1mc3 h GLU 232 N 0.67 0.82 0.29 2.37 4.39 -1.24 -0.61 114.58 121.28 1mc3 h GLU 232 Ca 0.02 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1mc3 h GLU 232 Cb 1.11 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1mc3 h GLU 232 CO 0.11 0.54 -0.14 0.00 -1.16 0.00 0.00 179.01 178.37 1mc3 h ALA 233 N 1.25 -0.39 0.06 3.43 0.00 -1.25 -0.97 119.26 121.38 1mc3 h ALA 233 Ca 0.25 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1mc3 h ALA 233 Cb -0.06 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1mc3 h ALA 233 CO -0.07 -0.69 -0.21 0.77 0.00 0.00 0.00 179.25 179.05 1mc3 h SER 234 N -0.45 -0.61 -0.19 0.00 0.02 -1.25 -1.95 113.55 109.11 1mc3 h SER 234 Ca -0.04 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1mc3 h SER 234 Cb 0.34 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1mc3 h SER 234 CO 0.07 -0.29 0.14 0.71 -1.14 0.00 0.00 176.83 176.31 1mc3 h THR 235 N -0.37 0.94 0.20 -2.27 1.35 -0.99 -0.61 112.91 111.16 1mc3 h THR 235 Ca 0.04 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1mc3 h THR 235 Cb 0.42 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1mc3 h THR 235 CO -0.16 0.01 -0.09 0.15 -0.25 0.00 0.00 175.52 175.18 1mc3 h PHE 236 N 0.07 -0.24 -0.79 4.73 3.57 -0.65 -1.15 116.94 122.48 1mc3 h PHE 236 Ca 0.09 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1mc3 h PHE 236 Cb 0.26 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1mc3 h PHE 236 CO -0.00 0.16 0.52 0.28 -2.23 0.00 0.00 178.31 177.04 1mc3 h VAL 237 N -0.80 1.17 -0.76 1.41 2.07 -1.01 -1.62 116.25 116.71 1mc3 h VAL 237 Ca -0.03 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1mc3 h VAL 237 Cb 0.52 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1mc3 h VAL 237 CO 0.04 0.19 0.32 -0.61 0.02 0.00 0.00 177.57 177.53 1mc3 h GLN 238 N 1.03 1.13 -0.07 1.57 4.15 -1.12 -0.73 115.11 121.07 1mc3 h GLN 238 Ca 0.30 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1mc3 h GLN 238 Cb -0.07 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.43 1mc3 h GLN 238 CO -0.08 0.91 0.02 1.15 -1.93 0.00 0.00 178.83 178.90 1mc3 h THR 239 N 1.09 1.16 -0.00 2.39 2.02 -0.49 -1.81 112.91 117.27 1mc3 h THR 239 Ca 0.26 -0.48 -0.16 0.00 0.77 0.00 0.00 66.41 66.79 1mc3 h THR 239 Cb 0.19 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1mc3 h THR 239 CO -0.02 0.14 -0.75 -0.37 0.37 0.00 0.00 175.52 174.88 1mc3 h VAL 240 N -0.07 1.52 -0.42 3.16 -1.51 -1.27 0.18 116.25 117.84 1mc3 h VAL 240 Ca 0.02 -2.52 -0.10 0.00 -1.23 0.00 0.00 66.70 62.88 1mc3 h VAL 240 Cb 0.20 2.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 1mc3 h VAL 240 CO -0.00 0.72 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.62 1mc3 h GLU 241 N 0.02 0.82 0.12 5.19 5.08 -1.06 0.12 114.58 124.88 1mc3 h GLU 241 Ca -0.01 -0.32 -0.29 0.00 -1.00 0.00 0.00 59.36 57.74 1mc3 h GLU 241 Cb 1.32 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1mc3 h GLU 241 CO 0.10 0.95 -1.36 0.87 -1.00 0.00 0.00 179.01 178.57 1mc3 h LYS 242 N 0.65 0.25 -0.01 2.33 1.57 -1.30 -2.58 116.57 117.48 1mc3 h LYS 242 Ca 0.11 -0.43 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1mc3 h LYS 242 Cb 0.65 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1mc3 h LYS 242 CO 0.04 1.16 -0.19 -0.09 -0.57 0.00 0.00 179.45 179.81 1mc3 h ARG 243 N 0.07 0.15 -0.57 3.15 9.65 -0.65 -3.36 114.38 122.82 1mc3 h ARG 243 Ca -0.18 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 1mc3 h ARG 243 Cb 1.99 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.60 1mc3 h ARG 243 CO 0.18 0.86 0.00 1.04 2.80 0.00 0.00 179.97 184.86 1mc3 n GLN 244 N -4.56 2.62 -1.10 0.20 6.02 0.43 -5.01 117.38 115.98 1mc3 n GLN 244 Ca -0.09 -2.49 -0.03 0.00 -0.01 0.00 0.00 57.00 54.38 1mc3 n GLN 244 Cb 0.46 -1.54 -0.01 0.00 1.02 0.00 0.00 30.24 30.17 1mc3 n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mc3 n GLY 245 N 1.57 0.52 3.40 1.08 0.00 -0.97 -4.99 105.19 105.79 1mc3 n GLY 245 Ca 0.22 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1mc3 n GLY 245 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mc3 s PHE 246 N -1.72 1.84 -0.11 1.61 -0.12 -1.25 -5.05 117.98 113.18 1mc3 s PHE 246 Ca 0.00 -0.71 -0.04 0.00 -0.05 0.00 0.00 56.93 56.13 1mc3 s PHE 246 Cb 0.00 -1.02 -0.03 0.00 -0.63 0.00 0.00 43.02 41.34 1mc3 s PHE 246 CO 0.00 0.24 0.03 0.15 -0.05 0.00 0.00 175.22 175.59 1mc3 s LYS 247 N -3.73 3.24 -0.10 1.99 -0.14 -1.26 -4.24 119.74 115.49 1mc3 s LYS 247 Ca 0.28 -0.36 -0.12 0.00 -1.36 0.00 0.00 55.97 54.41 1mc3 s LYS 247 Cb 0.03 -2.92 -0.05 0.00 -1.68 0.00 0.00 37.83 33.21 1mc3 s LYS 247 CO 0.10 0.63 0.27 0.42 -0.76 0.00 0.00 175.35 176.01 1mc3 s ILE 248 N -0.65 5.30 -1.29 2.17 1.01 -1.26 -4.38 121.20 122.09 1mc3 s ILE 248 Ca 0.11 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 61.22 1mc3 s ILE 248 Cb -0.12 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.79 1mc3 s ILE 248 CO 0.02 0.52 1.04 0.00 0.00 0.00 0.00 174.94 176.52 1mc3 n ALA 249 N 2.58 -1.70 -3.19 9.38 0.00 -1.26 -4.94 120.51 121.37 1mc3 n ALA 249 Ca -0.15 0.12 -0.46 0.00 0.00 0.00 0.00 53.44 52.95 1mc3 n ALA 249 Cb 0.53 -3.69 -0.03 0.00 0.00 0.00 0.00 19.45 16.26 1mc3 n ALA 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mc3 h LEU 251 N 8.97 -0.71 -1.04 0.00 3.38 -1.92 -1.75 115.31 122.25 1mc3 h LEU 251 Ca -0.03 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1mc3 h LEU 251 Cb 1.06 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 42.05 1mc3 h LEU 251 CO 0.94 -0.27 0.63 -0.33 0.09 0.00 0.00 178.44 179.50 1mc3 h GLU 252 N -0.26 0.97 -0.39 1.13 3.07 -1.92 -0.08 114.58 117.10 1mc3 h GLU 252 Ca 0.12 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.82 1mc3 h GLU 252 Cb 0.44 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1mc3 h GLU 252 CO -0.33 0.64 -0.15 1.49 -1.40 0.00 0.00 179.01 179.25 1mc3 h GLU 253 N 1.00 0.71 -0.42 2.33 4.81 -1.78 -0.11 114.58 121.11 1mc3 h GLU 253 Ca 0.48 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1mc3 h GLU 253 Cb 0.45 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1mc3 h GLU 253 CO -0.24 0.83 -0.16 0.82 -0.73 0.00 0.00 179.01 179.53 1mc3 h ILE 254 N 0.64 1.28 0.28 2.32 2.04 -0.35 -2.84 117.51 120.87 1mc3 h ILE 254 Ca 0.10 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 1mc3 h ILE 254 Cb 0.62 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1mc3 h ILE 254 CO 0.04 0.43 -0.14 0.00 0.00 0.00 0.00 178.15 178.49 1mc3 h ALA 255 N 0.84 -0.38 -0.58 1.87 0.00 -0.87 -2.45 119.26 117.69 1mc3 h ALA 255 Ca 0.10 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1mc3 h ALA 255 Cb 0.71 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1mc3 h ALA 255 CO 0.05 -0.68 -0.50 2.35 0.00 0.00 0.00 179.25 180.47 1mc3 h TRP 256 N -0.45 -1.57 0.00 0.00 7.01 -0.95 0.13 115.95 120.12 1mc3 h TRP 256 Ca -0.04 0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1mc3 h TRP 256 Cb 0.34 0.76 -0.00 0.00 -2.10 0.00 0.00 29.16 28.16 1mc3 h TRP 256 CO -0.04 -0.39 -0.03 0.00 -2.79 0.00 0.00 178.44 175.20 1mc3 h ARG 257 N -0.20 0.00 0.00 2.65 3.08 -1.51 1.00 114.38 119.40 1mc3 h ARG 257 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1mc3 h ARG 257 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1mc3 h ARG 257 CO -0.65 0.03 0.00 0.09 -1.07 0.00 0.00 179.97 178.36 1mc3 n ASN 258 N -4.37 0.00 -0.24 7.04 4.13 0.28 -4.84 115.26 117.26 1mc3 n ASN 258 Ca -0.03 -1.23 -0.03 0.00 1.68 0.00 0.00 54.58 54.97 1mc3 n ASN 258 Cb 0.11 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.34 1mc3 n ASN 258 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mc3 n GLY 259 N 0.88 0.53 0.15 7.41 0.00 0.35 -4.88 105.19 109.63 1mc3 n GLY 259 Ca 0.18 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1mc3 n GLY 259 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1mc3 h TRP 260 N 0.00 0.00 -3.20 1.61 6.55 -1.29 -3.45 115.95 116.18 1mc3 h TRP 260 Ca -0.06 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.60 1mc3 h TRP 260 Cb 0.55 0.00 -0.27 0.00 -0.86 0.00 0.00 29.16 28.59 1mc3 h TRP 260 CO 0.31 0.51 -0.47 -0.48 -1.05 0.00 0.00 178.44 177.25 1mc3 s LEU 261 N -6.88 1.09 0.71 -4.49 0.05 -1.24 -4.62 118.68 103.30 1mc3 s LEU 261 Ca 0.01 0.44 -0.11 0.00 0.05 0.00 0.00 54.13 54.52 1mc3 s LEU 261 Cb 0.10 0.72 0.02 0.00 -2.05 0.00 0.00 46.19 44.98 1mc3 s LEU 261 CO 0.73 -0.09 1.07 1.51 -0.55 0.00 0.00 176.35 179.02 1mc3 s ASP 262 N 0.27 5.19 0.40 1.48 -4.77 -1.26 -4.21 116.67 113.77 1mc3 s ASP 262 Ca -0.01 1.64 0.21 0.00 -3.30 0.00 0.00 52.55 51.08 1mc3 s ASP 262 Cb -0.03 -2.48 1.18 0.00 -1.09 0.00 0.00 42.92 40.51 1mc3 s ASP 262 CO -0.01 -1.57 1.72 0.44 0.70 0.00 0.00 175.17 176.45 1mc3 h ASP 263 N -0.81 0.41 -0.69 2.11 5.19 -1.99 0.70 116.42 121.34 1mc3 h ASP 263 Ca -0.44 0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.09 1mc3 h ASP 263 Cb 1.22 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.75 1mc3 h ASP 263 CO 0.56 -0.01 0.45 -0.08 -3.12 0.00 0.00 179.24 177.04 1mc3 h GLU 264 N 0.31 0.89 -0.46 3.56 4.22 -1.99 -0.44 114.58 120.66 1mc3 h GLU 264 Ca 0.67 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 60.02 1mc3 h GLU 264 Cb 1.81 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 1mc3 h GLU 264 CO -0.37 0.59 0.14 0.78 -2.18 0.00 0.00 179.01 177.97 1mc3 h GLY 265 N 0.92 0.78 1.65 1.92 0.00 0.05 -2.37 103.07 106.02 1mc3 h GLY 265 Ca 0.26 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1mc3 h GLY 265 CO -0.06 0.44 -0.04 -2.08 0.00 0.00 0.00 176.54 174.79 1mc3 h VAL 266 N 0.61 1.19 -0.26 4.60 2.07 -1.05 -2.67 116.25 120.75 1mc3 h VAL 266 Ca 0.15 -0.78 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 1mc3 h VAL 266 Cb 0.28 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1mc3 h VAL 266 CO -0.00 0.26 -0.40 0.50 0.02 0.00 0.00 177.57 177.95 1mc3 h LYS 267 N 0.42 0.60 -0.59 1.57 3.64 -0.77 -1.10 116.57 120.34 1mc3 h LYS 267 Ca 0.09 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.10 1mc3 h LYS 267 Cb 0.34 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1mc3 h LYS 267 CO 0.01 0.90 0.10 0.00 -2.27 0.00 0.00 179.45 178.20 1mc3 h ARG 268 N 0.50 0.95 0.63 1.90 3.08 -1.10 -2.11 114.38 118.22 1mc3 h ARG 268 Ca 0.04 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1mc3 h ARG 268 Cb 0.91 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.84 1mc3 h ARG 268 CO 0.08 0.87 -0.30 0.00 -1.07 0.00 0.00 179.97 179.55 1mc3 h ALA 269 N 1.21 -0.91 -1.01 0.04 0.00 -1.33 -2.74 119.26 114.50 1mc3 h ALA 269 Ca 0.19 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.20 1mc3 h ALA 269 Cb 0.38 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1mc3 h ALA 269 CO 0.01 -0.85 0.72 0.00 0.00 0.00 0.00 179.25 179.13 1mc3 h ALA 270 N -1.33 2.91 0.24 0.00 0.00 -1.20 -1.14 119.26 118.74 1mc3 h ALA 270 Ca -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1mc3 h ALA 270 Cb 0.65 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1mc3 h ALA 270 CO 0.14 -1.20 -0.12 0.77 0.00 0.00 0.00 179.25 178.84 1mc3 h SER 271 N 0.03 -0.28 0.07 0.00 0.02 -1.32 0.17 113.55 112.25 1mc3 h SER 271 Ca 0.49 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1mc3 h SER 271 Cb 1.90 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1mc3 h SER 271 CO -0.03 0.16 0.00 -1.54 -1.14 0.00 0.00 176.83 174.28 1mc3 n SER 272 N -5.05 0.00 0.00 3.07 3.41 -0.48 -1.23 113.62 113.35 1mc3 n SER 272 Ca -0.09 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1mc3 n SER 272 Cb 0.26 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1mc3 n SER 272 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1mc3 n LEU 273 N -1.11 0.80 -0.34 1.04 4.77 -0.92 -4.85 117.00 116.38 1mc3 n LEU 273 Ca 0.07 -0.80 0.31 0.00 -0.03 0.00 0.00 56.01 55.56 1mc3 n LEU 273 Cb 0.05 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 41.69 1mc3 n LEU 273 CO 0.07 0.20 0.98 0.00 -1.33 0.00 0.00 177.39 177.31 1mc3 n ALA 274 N -0.01 1.03 1.28 -1.18 0.00 0.60 0.15 120.51 122.38 1mc3 n ALA 274 Ca 0.00 0.82 0.11 0.00 0.00 0.00 0.00 53.44 54.38 1mc3 n ALA 274 Cb 0.05 -0.90 0.63 0.00 0.00 0.00 0.00 19.45 19.23 1mc3 n ALA 274 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1mc3 n LYS 275 N -4.72 0.55 -4.23 0.00 4.81 -1.26 -4.49 118.16 108.81 1mc3 n LYS 275 Ca 0.34 0.03 -0.29 0.00 -0.87 0.00 0.00 58.31 57.52 1mc3 n LYS 275 Cb 1.23 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 34.69 1mc3 n LYS 275 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1mc3 s THR 276 N -2.25 3.35 0.49 3.15 2.01 0.40 -5.02 115.64 117.77 1mc3 s THR 276 Ca 0.29 -1.34 0.27 0.00 0.31 0.00 0.00 61.69 61.22 1mc3 s THR 276 Cb 0.16 -2.58 0.30 0.00 0.01 0.00 0.00 72.50 70.38 1mc3 s THR 276 CO 0.30 0.07 2.14 1.23 -0.69 0.00 0.00 174.62 177.66 1mc3 h GLY 277 N 3.46 0.00 1.31 4.40 0.00 -1.87 -0.38 103.07 109.99 1mc3 h GLY 277 Ca -0.49 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1mc3 h GLY 277 CO 0.52 0.00 -0.47 -1.82 0.00 0.00 0.00 176.54 174.77 1mc3 h TYR 278 N 0.00 0.91 -0.28 5.60 3.20 -1.95 -2.73 116.97 121.71 1mc3 h TYR 278 Ca -0.00 -0.30 -0.16 0.00 3.14 0.00 0.00 58.73 61.41 1mc3 h TYR 278 Cb 0.20 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1mc3 h TYR 278 CO 0.00 1.07 -0.44 0.78 -1.64 0.00 0.00 178.16 177.93 1mc3 h GLY 279 N 0.89 0.87 1.35 1.82 0.00 -1.15 -2.87 103.07 103.98 1mc3 h GLY 279 Ca 0.03 -0.98 -0.08 0.00 0.00 0.00 0.00 47.33 46.30 1mc3 h GLY 279 CO 0.10 0.88 -0.02 1.46 0.00 0.00 0.00 176.54 178.96 1mc3 h GLN 280 N 0.55 0.79 -0.79 4.80 4.20 -1.43 -0.86 115.11 122.38 1mc3 h GLN 280 Ca 0.02 -0.22 0.06 0.00 0.06 0.00 0.00 58.65 58.58 1mc3 h GLN 280 Cb 1.04 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.69 1mc3 h GLN 280 CO 0.10 0.81 0.52 -0.92 -0.67 0.00 0.00 178.83 178.67 1mc3 h TYR 281 N 0.73 0.87 -0.20 2.96 3.20 -1.45 0.13 116.97 123.21 1mc3 h TYR 281 Ca 0.14 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.82 1mc3 h TYR 281 Cb 0.48 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.47 1mc3 h TYR 281 CO 0.03 0.46 -0.70 -0.07 -1.64 0.00 0.00 178.16 176.24 1mc3 h LEU 282 N 0.86 0.94 -0.58 2.82 3.38 -1.09 -2.93 115.31 118.71 1mc3 h LEU 282 Ca 0.34 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1mc3 h LEU 282 Cb 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1mc3 h LEU 282 CO -0.12 1.37 0.20 -0.07 0.09 0.00 0.00 178.44 179.92 1mc3 h LEU 283 N 0.58 0.83 -1.84 1.67 3.38 -0.24 -2.72 115.31 116.96 1mc3 h LEU 283 Ca -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1mc3 h LEU 283 Cb 1.32 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1mc3 h LEU 283 CO 0.15 0.80 0.02 -0.33 0.09 0.00 0.00 178.44 179.16 1mc3 h GLU 284 N 0.81 0.11 0.00 1.13 5.08 -0.79 -0.04 114.58 120.88 1mc3 h GLU 284 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1mc3 h GLU 284 Cb 0.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1mc3 h GLU 284 CO -0.01 0.11 0.00 1.28 -1.00 0.00 0.00 179.01 179.39 1mc3 n LEU 285 N -4.48 0.52 -1.96 1.33 4.77 -1.03 -3.50 117.00 112.64 1mc3 n LEU 285 Ca -0.02 0.60 -0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1mc3 n LEU 285 Cb 0.12 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1mc3 n LEU 285 CO 0.35 -0.36 1.34 0.18 -1.33 0.00 0.00 177.39 177.57 1mc3 n LEU 286 N -2.04 5.92 0.00 2.23 4.77 -0.03 -4.83 117.00 123.02 1mc3 n LEU 286 Ca 0.04 -3.24 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 1mc3 n LEU 286 Cb 0.27 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1mc3 n LEU 286 CO 0.22 1.40 0.00 -2.11 -1.33 0.00 0.00 177.39 175.57 1mc3 n ARG 287 N 1.25 0.00 -3.77 3.23 0.00 -1.23 -5.09 116.66 111.06 1mc3 n ARG 287 Ca 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.13 1mc3 n ARG 287 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 32.46 33.09 1mc3 n ARG 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mc3 s ALA 288 N -1.00 -1.83 0.36 2.89 0.00 -1.26 -5.13 121.76 115.79 1mc3 s ALA 288 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.17 1mc3 s ALA 288 Cb 0.00 0.61 -0.07 0.00 0.00 0.00 0.00 23.12 23.66 1mc3 s ALA 288 CO 0.00 -1.06 -0.00 1.03 0.00 0.00 0.00 175.76 175.73 1mc3 s ARG 289 N -2.73 1.81 0.00 0.00 0.52 -1.26 -5.20 118.95 112.10 1mc3 s ARG 289 Ca 0.16 -1.99 0.18 0.00 -0.52 0.00 0.00 55.73 53.56 1mc3 s ARG 289 Cb -0.00 -1.38 1.09 0.00 0.52 0.00 0.00 34.95 35.18 1mc3 s ARG 289 CO 0.01 -0.05 1.49 -2.30 0.02 0.00 0.00 175.30 174.47