#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgg h SER 17 N 0.00 0.62 -0.65 -1.43 0.02 -1.97 -2.70 113.55 107.44 3mgg h SER 17 Ca 0.00 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.56 3mgg h SER 17 Cb 0.00 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3mgg h SER 17 CO 0.00 1.06 0.21 -0.33 -1.14 0.00 0.00 176.83 176.63 3mgg h GLU 18 N 0.43 1.03 -0.29 3.45 5.08 -2.00 -1.58 114.58 120.70 3mgg h GLU 18 Ca 0.00 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3mgg h GLU 18 Cb 1.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3mgg h GLU 18 CO 0.11 0.88 -0.01 1.96 -1.00 0.00 0.00 179.01 180.94 3mgg h GLN 19 N 1.00 0.45 -0.64 2.33 4.20 -1.88 -2.17 115.11 118.40 3mgg h GLN 19 Ca 0.22 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3mgg h GLN 19 Cb 0.28 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3mgg h GLN 19 CO -0.01 0.49 0.05 0.00 -0.67 0.00 0.00 178.83 178.68 3mgg h ALA 20 N 1.56 0.85 0.00 3.87 0.00 -0.98 -2.85 119.26 121.71 3mgg h ALA 20 Ca 0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3mgg h ALA 20 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3mgg h ALA 20 CO 0.01 0.67 -0.31 0.93 0.00 0.00 0.00 179.25 180.55 3mgg h GLU 21 N 1.01 0.00 -0.50 0.00 5.08 -0.87 -2.77 114.58 116.52 3mgg h GLU 21 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3mgg h GLU 21 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3mgg h GLU 21 CO 0.02 0.31 0.33 1.15 -1.00 0.00 0.00 179.01 179.82 3mgg h THR 22 N 0.00 1.13 -0.41 1.13 2.02 -1.16 -2.08 112.91 113.54 3mgg h THR 22 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3mgg h THR 22 Cb 0.87 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3mgg h THR 22 CO 0.04 0.13 0.00 0.18 0.37 0.00 0.00 175.52 176.24 3mgg n LEU 23 N -4.45 3.44 -0.13 2.58 4.77 -1.14 -4.70 117.00 117.36 3mgg n LEU 23 Ca 0.04 -1.57 -0.13 0.00 -0.03 0.00 0.00 56.01 54.32 3mgg n LEU 23 Cb 0.06 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 3mgg n LEU 23 CO 0.36 0.76 0.51 -0.08 -1.33 0.00 0.00 177.39 177.61 3mgg h GLU 24 N 4.22 -0.39 -0.75 3.23 4.57 -1.09 0.14 114.58 124.52 3mgg h GLU 24 Ca 0.00 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3mgg h GLU 24 Cb 0.95 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.58 3mgg h GLU 24 CO 0.00 -0.26 0.47 -0.22 -1.18 0.00 0.00 179.01 177.82 3mgg h LYS 25 N -0.40 0.90 -0.01 1.92 3.64 -1.84 0.02 116.57 120.79 3mgg h LYS 25 Ca 0.08 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3mgg h LYS 25 Cb 0.60 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3mgg h LYS 25 CO -0.58 0.59 -0.01 1.25 -2.27 0.00 0.00 179.45 178.43 3mgg h LEU 26 N 0.92 0.03 0.07 5.20 7.12 -1.77 -3.35 115.31 123.54 3mgg h LEU 26 Ca 0.30 -0.48 -0.38 0.00 0.13 0.00 0.00 57.88 57.45 3mgg h LEU 26 Cb 0.02 -0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.10 3mgg h LEU 26 CO -0.11 0.51 -2.21 0.18 -0.13 0.00 0.00 178.44 176.68 3mgg n LEU 27 N -4.83 2.77 -0.00 2.25 4.77 0.44 -4.77 117.00 117.63 3mgg n LEU 27 Ca -0.08 0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 3mgg n LEU 27 Cb 0.26 -1.02 -0.09 0.00 -2.33 0.00 0.00 43.42 40.24 3mgg n LEU 27 CO 0.34 0.89 -0.50 1.41 -1.33 0.00 0.00 177.39 178.20 3mgg n HIS 28 N -3.38 0.00 -0.35 -1.77 8.25 -0.31 -4.66 115.22 113.00 3mgg n HIS 28 Ca -0.38 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.19 3mgg n HIS 28 Cb 1.02 -0.22 0.30 0.00 1.12 0.00 0.00 29.99 32.22 3mgg n HIS 28 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3mgg h HIS 29 N 0.00 1.08 -0.00 4.41 2.76 -1.19 -0.35 115.15 121.86 3mgg h HIS 29 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3mgg h HIS 29 Cb 0.51 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.14 3mgg h HIS 29 CO 0.00 0.30 -0.01 -0.40 -1.30 0.00 0.00 177.93 176.52 3mgg n ASP 30 N -4.72 0.03 -4.53 3.26 3.85 -1.26 -4.56 116.55 108.63 3mgg n ASP 30 Ca 0.22 -0.29 -0.42 0.00 -0.71 0.00 0.00 54.79 53.59 3mgg n ASP 30 Cb 0.51 -0.23 -0.02 0.00 -1.35 0.00 0.00 41.12 40.03 3mgg n ASP 30 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3mgg s THR 31 N -2.49 4.22 -0.16 2.12 -4.23 -0.14 -4.91 115.64 110.06 3mgg s THR 31 Ca 0.31 -1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 59.54 3mgg s THR 31 Cb 0.21 -5.00 0.04 0.00 1.34 0.00 0.00 72.50 69.09 3mgg s THR 31 CO 0.45 -1.83 -0.02 -0.69 -0.54 0.00 0.00 174.62 171.99 3mgg s VAL 32 N 4.07 0.87 0.37 2.29 1.01 -1.26 -4.85 120.40 122.90 3mgg s VAL 32 Ca 0.44 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3mgg s VAL 32 Cb -0.01 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3mgg s VAL 32 CO -0.06 0.06 0.60 -0.31 0.00 0.00 0.00 175.10 175.38 3mgg s TYR 33 N 1.73 3.51 0.72 5.22 2.02 -1.26 -5.07 117.35 124.22 3mgg s TYR 33 Ca 0.01 0.47 -0.14 0.00 -0.37 0.00 0.00 57.07 57.04 3mgg s TYR 33 Cb -0.15 -2.00 0.03 0.00 -0.40 0.00 0.00 41.96 39.44 3mgg s TYR 33 CO -0.07 0.04 1.14 -1.25 -1.57 0.00 0.00 175.55 173.84 3mgg s PRO 34 N -4.33 2.38 0.36 -1.71 0.04 -1.26 -4.93 135.00 125.55 3mgg s PRO 34 Ca 0.42 1.50 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 3mgg s PRO 34 Cb -0.10 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 3mgg s PRO 34 CO 0.37 -1.60 1.06 -2.30 0.04 0.00 0.00 177.00 174.58 3mgg n PRO 35 N -2.79 1.50 -1.00 0.56 -0.02 -1.26 -2.55 135.00 129.44 3mgg n PRO 35 Ca 0.11 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3mgg n PRO 35 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3mgg n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgg n GLY 36 N 1.12 0.43 3.74 -1.23 0.00 0.18 -4.98 105.19 104.45 3mgg n GLY 36 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3mgg n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgg s ALA 37 N -1.90 3.40 -0.38 4.61 0.00 -1.06 -4.70 121.76 121.73 3mgg s ALA 37 Ca 0.00 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 3mgg s ALA 37 Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.75 3mgg s ALA 37 CO 0.00 -0.28 0.60 0.15 0.00 0.00 0.00 175.76 176.23 3mgg s LYS 38 N -0.30 3.54 -0.02 0.00 1.02 -1.26 -0.23 119.74 122.48 3mgg s LYS 38 Ca 0.51 -0.14 0.06 0.00 0.02 0.00 0.00 55.97 56.42 3mgg s LYS 38 Cb -0.31 -3.85 -0.02 0.00 -0.52 0.00 0.00 37.83 33.13 3mgg s LYS 38 CO 0.36 -0.79 -0.19 0.08 -0.92 0.00 0.00 175.35 173.88 3mgg s VAL 39 N 2.65 2.63 -0.19 3.17 1.01 -0.14 -0.71 120.40 128.82 3mgg s VAL 39 Ca 0.22 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 3mgg s VAL 39 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3mgg s VAL 39 CO 0.16 0.54 -0.05 -0.22 0.00 0.00 0.00 175.10 175.53 3mgg s LEU 40 N -0.81 3.01 -0.45 3.92 2.96 -0.71 -0.75 118.68 125.85 3mgg s LEU 40 Ca 0.11 -0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 53.56 3mgg s LEU 40 Cb -0.10 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 44.88 3mgg s LEU 40 CO 0.01 0.06 0.47 -0.70 -1.32 0.00 0.00 176.35 174.87 3mgg s GLU 41 N 0.97 3.08 0.53 1.98 2.12 0.07 -0.65 118.70 126.81 3mgg s GLU 41 Ca 0.00 -0.88 0.26 0.00 0.36 0.00 0.00 54.97 54.71 3mgg s GLU 41 Cb -0.15 -4.02 1.40 0.00 0.26 0.00 0.00 34.13 31.62 3mgg s GLU 41 CO 0.01 -0.96 1.98 0.00 -0.54 0.00 0.00 175.26 175.75 3mgg h ALA 42 N 8.79 2.54 -1.02 6.30 0.00 -1.59 -2.22 119.26 132.05 3mgg h ALA 42 Ca -0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3mgg h ALA 42 Cb 1.11 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.74 3mgg h ALA 42 CO 0.84 -0.71 -0.43 0.20 0.00 0.00 0.00 179.25 179.16 3mgg s GLY 43 N -4.00 -1.25 0.40 0.00 0.00 -1.23 -4.62 107.32 96.62 3mgg s GLY 43 Ca -0.05 0.51 0.22 0.00 0.00 0.00 0.00 44.72 45.39 3mgg s GLY 43 CO 0.74 3.66 1.63 0.00 0.00 0.00 0.00 173.10 179.13 3mgg n GLY 45 N 0.87 3.35 0.17 0.00 0.00 -1.26 -0.26 105.19 108.05 3mgg n GLY 45 Ca 0.02 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3mgg n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mgg n ILE 46 N 0.00 0.06 -0.56 -0.61 -0.00 -1.26 -4.16 119.36 112.82 3mgg n ILE 46 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 3mgg n ILE 46 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 39.64 39.55 3mgg n ILE 46 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3mgg n GLY 47 N 0.90 0.67 0.23 7.39 0.00 0.64 -3.53 105.19 111.50 3mgg n GLY 47 Ca 0.15 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 3mgg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgg h ALA 48 N 0.00 0.70 0.00 4.61 0.00 -1.91 -2.50 119.26 120.16 3mgg h ALA 48 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3mgg h ALA 48 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3mgg h ALA 48 CO 0.00 0.19 -1.07 1.96 0.00 0.00 0.00 179.25 180.33 3mgg h GLN 49 N 0.74 0.00 -0.27 0.00 1.08 -1.94 -3.33 115.11 111.39 3mgg h GLN 49 Ca 0.20 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.43 3mgg h GLN 49 Cb 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 3mgg h GLN 49 CO -0.04 0.76 0.08 1.15 -0.95 0.00 0.00 178.83 179.83 3mgg h THR 50 N 0.00 0.91 -0.74 -0.54 2.02 -1.79 0.11 112.91 112.88 3mgg h THR 50 Ca -0.07 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.05 3mgg h THR 50 Cb 1.73 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 3mgg h THR 50 CO 0.10 0.03 0.49 0.58 0.37 0.00 0.00 175.52 177.10 3mgg h VAL 51 N 0.19 1.19 -0.13 3.16 2.07 -1.57 0.01 116.25 121.16 3mgg h VAL 51 Ca 0.12 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3mgg h VAL 51 Cb 0.10 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3mgg h VAL 51 CO -0.14 0.19 -0.15 0.40 0.02 0.00 0.00 177.57 177.89 3mgg h ILE 52 N 1.01 1.35 -0.59 4.57 2.04 -1.59 -1.95 117.51 122.35 3mgg h ILE 52 Ca 0.27 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3mgg h ILE 52 Cb -0.11 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3mgg h ILE 52 CO -0.06 0.39 0.39 0.25 0.00 0.00 0.00 178.15 179.12 3mgg h LEU 53 N -0.05 0.67 -0.54 1.44 5.85 -0.64 -1.78 115.31 120.26 3mgg h LEU 53 Ca 0.02 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 3mgg h LEU 53 Cb 0.68 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3mgg h LEU 53 CO 0.04 0.48 -0.06 0.00 -0.34 0.00 0.00 178.44 178.56 3mgg h ALA 54 N 1.22 0.74 -0.25 1.25 0.00 -1.01 -2.10 119.26 119.11 3mgg h ALA 54 Ca 0.22 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3mgg h ALA 54 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3mgg h ALA 54 CO -0.05 0.62 -0.29 0.87 0.00 0.00 0.00 179.25 180.39 3mgg h LYS 55 N 0.88 0.51 0.00 0.00 1.57 -1.16 -2.48 116.57 115.89 3mgg h LYS 55 Ca 0.15 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3mgg h LYS 55 Cb 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3mgg h LYS 55 CO 0.04 0.75 0.00 0.09 -0.57 0.00 0.00 179.45 179.76 3mgg n ASN 56 N -4.09 0.49 -3.20 0.86 3.02 -0.69 -4.19 115.26 107.46 3mgg n ASN 56 Ca -0.01 0.55 -0.23 0.00 -0.03 0.00 0.00 54.58 54.86 3mgg n ASN 56 Cb 0.44 -0.68 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 3mgg n ASN 56 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mgg n ASN 57 N -1.96 1.18 0.30 6.41 4.13 -0.80 -4.84 115.26 119.69 3mgg n ASN 57 Ca 0.06 -2.96 0.19 0.00 1.68 0.00 0.00 54.58 53.54 3mgg n ASN 57 Cb 0.38 -0.63 0.95 0.00 -1.54 0.00 0.00 39.78 38.95 3mgg n ASN 57 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3mgg h PRO 58 N 3.65 0.00 -0.53 3.52 0.13 -1.68 -2.28 132.00 134.81 3mgg h PRO 58 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3mgg h PRO 58 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3mgg h PRO 58 CO 0.55 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 3mgg n ASP 59 N -3.27 3.16 -4.93 1.44 8.00 -1.26 -4.88 116.55 114.82 3mgg n ASP 59 Ca -0.02 -1.97 -0.29 0.00 0.71 0.00 0.00 54.79 53.22 3mgg n ASP 59 Cb 0.17 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 40.88 3mgg n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mgg s ALA 60 N -1.30 3.90 -0.46 2.24 0.00 -0.86 0.49 121.76 125.78 3mgg s ALA 60 Ca 0.40 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 3mgg s ALA 60 Cb 0.21 -1.92 0.09 0.00 0.00 0.00 0.00 23.12 21.50 3mgg s ALA 60 CO 0.28 0.60 0.36 -1.21 0.00 0.00 0.00 175.76 175.78 3mgg s GLU 61 N -3.00 2.80 -0.17 0.00 2.02 0.68 -4.81 118.70 116.22 3mgg s GLU 61 Ca 0.37 -1.47 -0.11 0.00 0.02 0.00 0.00 54.97 53.78 3mgg s GLU 61 Cb -0.12 -4.01 -0.05 0.00 0.10 0.00 0.00 34.13 30.06 3mgg s GLU 61 CO 0.28 -1.05 0.20 0.42 0.02 0.00 0.00 175.26 175.12 3mgg s ILE 62 N 1.53 5.37 -0.23 -1.63 1.01 0.01 -0.97 121.20 126.29 3mgg s ILE 62 Ca 0.04 0.34 -0.00 0.00 0.00 0.00 0.00 60.65 61.02 3mgg s ILE 62 Cb -0.25 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.72 3mgg s ILE 62 CO 0.04 0.44 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 3mgg s THR 63 N 0.23 2.60 -0.16 2.92 2.01 0.07 -0.13 115.64 123.17 3mgg s THR 63 Ca 0.12 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 3mgg s THR 63 Cb -0.12 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 3mgg s THR 63 CO 0.01 0.25 -0.01 -0.44 -0.69 0.00 0.00 174.62 173.74 3mgg s SER 64 N 1.29 4.98 0.26 3.53 0.01 0.72 -0.75 113.70 123.75 3mgg s SER 64 Ca 0.00 -0.09 0.11 0.00 1.31 0.00 0.00 55.95 57.28 3mgg s SER 64 Cb -0.16 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 64.19 3mgg s SER 64 CO -0.06 0.16 -0.19 0.27 0.41 0.00 0.00 173.24 173.83 3mgg s ILE 65 N 0.40 2.30 -0.04 1.44 -4.36 -0.84 -1.39 121.20 118.72 3mgg s ILE 65 Ca -0.02 -2.36 -0.29 0.00 -0.26 0.00 0.00 60.65 57.72 3mgg s ILE 65 Cb -0.14 -2.24 0.09 0.00 1.25 0.00 0.00 42.46 41.43 3mgg s ILE 65 CO 0.02 -0.44 0.79 -0.62 0.24 0.00 0.00 174.94 174.93 3mgg s ASP 66 N -3.45 -0.52 0.25 4.36 2.15 -1.18 -1.54 116.67 116.74 3mgg s ASP 66 Ca 0.28 0.40 0.25 0.00 0.43 0.00 0.00 52.55 53.91 3mgg s ASP 66 Cb -0.04 0.46 0.60 0.00 -0.30 0.00 0.00 42.92 43.64 3mgg s ASP 66 CO 0.13 -0.60 1.64 -0.29 -0.17 0.00 0.00 175.17 175.89 3mgg h ILE 67 N 2.55 0.00 -3.73 4.11 2.10 -1.90 -2.14 117.51 118.50 3mgg h ILE 67 Ca -0.25 -0.63 -0.63 0.00 1.08 0.00 0.00 64.86 64.44 3mgg h ILE 67 Cb 1.19 1.55 -0.15 0.00 -1.09 0.00 0.00 36.82 38.32 3mgg h ILE 67 CO 0.35 0.00 -0.44 -0.55 -1.08 0.00 0.00 178.15 176.44 3mgg s SER 68 N -4.93 6.13 0.16 2.19 0.15 -1.26 -4.80 113.70 111.34 3mgg s SER 68 Ca 0.09 0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.74 3mgg s SER 68 Cb 0.11 -2.14 0.05 0.00 -1.71 0.00 0.00 66.02 62.33 3mgg s SER 68 CO 0.64 -0.04 1.72 -0.65 1.20 0.00 0.00 173.24 176.11 3mgg h PRO 69 N 7.96 0.80 0.01 5.44 0.11 -2.00 -2.21 132.00 142.10 3mgg h PRO 69 Ca -0.35 -0.14 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3mgg h PRO 69 Cb 1.18 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3mgg h PRO 69 CO 0.62 0.70 -0.19 0.93 -0.21 0.00 0.00 178.00 179.85 3mgg h GLU 70 N 0.73 -0.30 -0.48 1.05 3.07 -2.00 -2.16 114.58 114.49 3mgg h GLU 70 Ca 0.18 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.13 3mgg h GLU 70 Cb 0.19 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 3mgg h GLU 70 CO -0.02 -0.20 0.16 0.77 -1.40 0.00 0.00 179.01 178.33 3mgg h SER 71 N -0.31 0.15 -0.87 1.42 0.02 -1.82 -2.03 113.55 110.12 3mgg h SER 71 Ca 0.05 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 3mgg h SER 71 Cb 0.38 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 3mgg h SER 71 CO -0.17 0.11 0.55 -0.07 -1.14 0.00 0.00 176.83 176.11 3mgg h LEU 72 N 0.33 0.87 -0.51 5.07 3.38 -1.09 0.20 115.31 123.55 3mgg h LEU 72 Ca 0.23 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.23 3mgg h LEU 72 Cb 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3mgg h LEU 72 CO -0.25 0.57 0.32 -0.08 0.09 0.00 0.00 178.44 179.09 3mgg h GLU 73 N 1.01 0.63 -0.47 1.13 4.81 -0.74 0.11 114.58 121.05 3mgg h GLU 73 Ca 0.37 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.47 3mgg h GLU 73 Cb 0.13 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3mgg h GLU 73 CO -0.16 0.42 -0.07 0.87 -0.73 0.00 0.00 179.01 179.33 3mgg h LYS 74 N 0.65 0.84 -0.62 1.92 1.57 -0.67 -1.49 116.57 118.76 3mgg h LYS 74 Ca 0.20 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3mgg h LYS 74 Cb -0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3mgg h LYS 74 CO -0.07 0.89 0.15 0.00 -0.57 0.00 0.00 179.45 179.85 3mgg h ALA 75 N 1.15 0.82 -0.70 3.86 0.00 0.01 -0.59 119.26 123.81 3mgg h ALA 75 Ca 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3mgg h ALA 75 Cb 0.57 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3mgg h ALA 75 CO 0.03 0.54 0.25 -0.09 0.00 0.00 0.00 179.25 179.98 3mgg h ARG 76 N 0.92 1.06 -0.82 0.00 2.43 -0.54 -0.76 114.38 116.68 3mgg h ARG 76 Ca 0.20 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3mgg h ARG 76 Cb 0.36 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3mgg h ARG 76 CO 0.00 0.90 0.46 0.93 -1.51 0.00 0.00 179.97 180.75 3mgg h GLU 77 N 1.01 1.13 -0.12 0.20 5.08 -0.86 -0.60 114.58 120.43 3mgg h GLU 77 Ca 0.23 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3mgg h GLU 77 Cb 0.25 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3mgg h GLU 77 CO -0.01 0.83 0.04 -0.97 -1.00 0.00 0.00 179.01 177.90 3mgg h ASN 78 N 1.13 0.16 0.02 1.42 -0.73 -0.49 -1.15 115.58 115.94 3mgg h ASN 78 Ca 0.29 -0.17 -0.11 0.00 1.87 0.00 0.00 56.30 58.18 3mgg h ASN 78 Cb 0.01 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 3mgg h ASN 78 CO -0.05 0.29 -0.32 0.71 -0.37 0.00 0.00 177.43 177.69 3mgg h THR 79 N 0.03 1.28 -0.24 -3.57 1.35 -1.01 -2.33 112.91 108.43 3mgg h THR 79 Ca 0.04 -1.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.49 3mgg h THR 79 Cb 0.18 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 3mgg h THR 79 CO -0.00 0.44 0.08 -0.08 -0.25 0.00 0.00 175.52 175.71 3mgg h GLU 80 N 0.38 0.36 0.00 4.72 4.57 -0.97 -0.46 114.58 123.19 3mgg h GLU 80 Ca 0.05 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3mgg h GLU 80 Cb 0.76 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 3mgg h GLU 80 CO 0.06 0.43 -0.16 -0.22 -1.18 0.00 0.00 179.01 177.94 3mgg h LYS 81 N 0.22 0.00 -0.57 1.92 3.64 -1.07 -2.16 116.57 118.55 3mgg h LYS 81 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3mgg h LYS 81 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3mgg h LYS 81 CO -0.00 0.16 0.00 0.09 -2.27 0.00 0.00 179.45 177.43 3mgg n ASN 82 N -4.01 3.15 -1.71 4.20 3.02 -0.89 -4.94 115.26 114.08 3mgg n ASN 82 Ca -0.02 -2.17 -0.19 0.00 -0.03 0.00 0.00 54.58 52.17 3mgg n ASN 82 Cb 0.25 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 3mgg n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mgg n GLY 83 N 1.08 0.91 3.74 7.41 0.00 -0.81 -4.98 105.19 112.53 3mgg n GLY 83 Ca 0.18 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3mgg n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgg s ILE 84 N -2.79 4.23 0.00 -0.61 1.01 -0.22 -4.94 121.20 117.87 3mgg s ILE 84 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.62 3mgg s ILE 84 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3mgg s ILE 84 CO 0.00 0.36 0.02 0.29 0.00 0.00 0.00 174.94 175.62 3mgg n LYS 85 N 2.30 5.83 -1.03 2.79 4.76 -1.26 -4.65 118.16 126.88 3mgg n LYS 85 Ca 0.01 -0.02 -0.06 0.00 -2.87 0.00 0.00 58.31 55.37 3mgg n LYS 85 Cb 0.48 -0.47 0.31 0.00 -1.84 0.00 0.00 35.03 33.51 3mgg n LYS 85 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3mgg n ASN 86 N -0.84 4.92 -4.20 4.39 6.94 -1.26 -4.94 115.26 120.27 3mgg n ASN 86 Ca 0.00 -3.22 -0.30 0.00 -0.02 0.00 0.00 54.58 51.05 3mgg n ASN 86 Cb 0.00 -0.75 -0.17 0.00 -2.36 0.00 0.00 39.78 36.51 3mgg n ASN 86 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3mgg s VAL 87 N -2.99 1.82 -0.12 3.53 1.01 -1.26 -0.81 120.40 121.57 3mgg s VAL 87 Ca 0.56 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3mgg s VAL 87 Cb 0.44 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3mgg s VAL 87 CO 0.14 0.51 -0.16 -0.54 0.00 0.00 0.00 175.10 175.05 3mgg s LYS 88 N 0.10 3.27 -0.04 2.72 1.02 0.81 -5.00 119.74 122.62 3mgg s LYS 88 Ca -0.09 -0.73 -0.03 0.00 0.02 0.00 0.00 55.97 55.14 3mgg s LYS 88 Cb -0.15 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 3mgg s LYS 88 CO 0.05 0.23 0.13 -0.06 -0.92 0.00 0.00 175.35 174.77 3mgg s PHE 89 N 0.30 3.46 -0.19 3.18 0.08 -1.26 -0.20 117.98 123.35 3mgg s PHE 89 Ca -0.12 0.35 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 3mgg s PHE 89 Cb -0.16 -1.83 0.06 0.00 -0.57 0.00 0.00 43.02 40.52 3mgg s PHE 89 CO 0.06 0.63 0.47 -1.17 -0.10 0.00 0.00 175.22 175.11 3mgg s LEU 90 N -1.57 -0.21 0.18 -0.37 2.96 -0.49 -4.95 118.68 114.24 3mgg s LEU 90 Ca 0.22 1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 54.84 3mgg s LEU 90 Cb -0.12 1.56 -0.08 0.00 0.50 0.00 0.00 46.19 48.05 3mgg s LEU 90 CO 0.12 -0.20 1.07 -1.58 -1.32 0.00 0.00 176.35 174.45 3mgg s GLN 91 N 1.32 4.63 -0.06 1.98 2.00 -1.26 -3.10 119.66 125.17 3mgg s GLN 91 Ca -0.09 1.68 -0.30 0.00 -2.00 0.00 0.00 55.36 54.65 3mgg s GLN 91 Cb -0.07 -3.28 0.11 0.00 0.80 0.00 0.00 33.01 30.57 3mgg s GLN 91 CO -0.13 0.13 0.97 0.00 -0.50 0.00 0.00 175.29 175.77 3mgg s ALA 92 N -0.34 -1.89 -0.26 1.58 0.00 -0.81 -4.90 121.76 115.14 3mgg s ALA 92 Ca 0.48 1.18 -0.13 0.00 0.00 0.00 0.00 51.96 53.50 3mgg s ALA 92 Cb -0.29 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3mgg s ALA 92 CO 0.35 -0.65 0.26 1.21 0.00 0.00 0.00 175.76 176.93 3mgg s ASN 93 N -2.36 6.15 0.58 0.00 3.84 -1.26 -3.47 114.94 118.42 3mgg s ASN 93 Ca 0.06 0.16 0.28 0.00 0.21 0.00 0.00 52.86 53.57 3mgg s ASN 93 Cb -0.01 -2.16 1.63 0.00 -0.55 0.00 0.00 41.25 40.17 3mgg s ASN 93 CO -0.08 -0.08 2.11 -0.29 -2.79 0.00 0.00 177.10 175.97 3mgg h ILE 94 N 5.29 0.52 0.00 -5.21 2.10 -1.96 -0.86 117.51 117.38 3mgg h ILE 94 Ca -0.34 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.60 3mgg h ILE 94 Cb 1.17 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 3mgg h ILE 94 CO 0.61 0.00 -0.09 0.49 -1.08 0.00 0.00 178.15 178.08 3mgg n PHE 95 N -3.88 0.44 -3.01 2.19 3.72 -1.26 -4.32 117.46 111.34 3mgg n PHE 95 Ca 0.02 0.13 -0.16 0.00 -0.05 0.00 0.00 57.45 57.38 3mgg n PHE 95 Cb 0.31 -0.68 -0.02 0.00 -0.94 0.00 0.00 39.48 38.15 3mgg n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3mgg n SER 96 N -1.87 -1.57 -4.76 4.37 3.41 -0.34 -4.94 113.62 107.92 3mgg n SER 96 Ca 0.06 -2.87 -0.38 0.00 -0.26 0.00 0.00 58.87 55.41 3mgg n SER 96 Cb 0.39 0.59 0.01 0.00 -0.26 0.00 0.00 64.21 64.94 3mgg n SER 96 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mgg s LEU 97 N -0.46 4.01 0.00 1.04 2.01 -1.14 -4.43 118.68 119.71 3mgg s LEU 97 Ca 0.33 2.65 0.28 0.00 0.01 0.00 0.00 54.13 57.39 3mgg s LEU 97 Cb 0.14 -4.13 1.03 0.00 0.01 0.00 0.00 46.19 43.23 3mgg s LEU 97 CO -0.16 -1.19 1.76 -0.81 1.01 0.00 0.00 176.35 176.95 3mgg n PRO 98 N -0.52 0.30 -1.72 1.29 -0.04 -1.26 -4.92 135.00 128.13 3mgg n PRO 98 Ca 0.07 -0.10 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 3mgg n PRO 98 Cb 0.45 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.45 3mgg n PRO 98 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3mgg s PHE 99 N -2.77 2.99 0.64 0.54 0.08 -1.26 -5.04 117.98 113.16 3mgg s PHE 99 Ca 0.20 1.47 -0.14 0.00 0.12 0.00 0.00 56.93 58.58 3mgg s PHE 99 Cb 0.19 -2.95 -0.01 0.00 -0.57 0.00 0.00 43.02 39.67 3mgg s PHE 99 CO 0.55 -1.26 1.07 -2.00 -0.10 0.00 0.00 175.22 173.48 3mgg s GLU 100 N -4.63 3.08 0.55 0.44 2.12 -1.26 -4.96 118.70 114.04 3mgg s GLU 100 Ca 0.61 1.16 -0.20 0.00 0.36 0.00 0.00 54.97 56.90 3mgg s GLU 100 Cb -0.15 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.18 3mgg s GLU 100 CO 0.48 -1.00 1.17 -0.51 -0.54 0.00 0.00 175.26 174.86 3mgg s ASP 101 N -3.07 5.55 -1.51 -1.70 1.01 -1.26 -3.39 116.67 112.29 3mgg s ASP 101 Ca 0.62 2.30 -0.06 0.00 0.71 0.00 0.00 52.55 56.12 3mgg s ASP 101 Cb -0.16 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.23 3mgg s ASP 101 CO 0.44 -1.34 0.49 -1.20 0.21 0.00 0.00 175.17 173.76 3mgg n SER 102 N -1.31 -1.09 -0.24 0.27 7.64 -0.33 -4.87 113.62 113.69 3mgg n SER 102 Ca 0.12 -1.04 0.08 0.00 1.01 0.00 0.00 58.87 59.05 3mgg n SER 102 Cb 0.50 -2.81 -0.04 0.00 -1.01 0.00 0.00 64.21 60.85 3mgg n SER 102 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3mgg n SER 103 N -2.88 1.36 -4.43 6.43 3.41 -0.37 -4.45 113.62 112.69 3mgg n SER 103 Ca -0.20 -1.18 -0.30 0.00 -0.26 0.00 0.00 58.87 56.93 3mgg n SER 103 Cb 0.63 0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 65.13 3mgg n SER 103 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3mgg s PHE 104 N -2.26 2.45 0.06 7.33 0.08 -0.33 -4.97 117.98 120.34 3mgg s PHE 104 Ca 0.11 -0.32 0.08 0.00 0.12 0.00 0.00 56.93 56.92 3mgg s PHE 104 Cb 0.14 -1.38 -0.22 0.00 -0.57 0.00 0.00 43.02 40.99 3mgg s PHE 104 CO 0.54 0.27 1.06 -0.44 -0.10 0.00 0.00 175.22 176.55 3mgg h ASP 105 N 4.27 0.04 -5.06 1.36 3.32 -1.24 -0.70 116.42 118.41 3mgg h ASP 105 Ca -0.49 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.41 3mgg h ASP 105 Cb 1.16 -0.01 -0.16 0.00 0.22 0.00 0.00 39.33 40.53 3mgg h ASP 105 CO 0.45 1.05 -0.26 -1.00 -1.72 0.00 0.00 179.24 177.75 3mgg s HIS 106 N -2.67 -0.07 -0.05 4.55 3.76 -0.99 -2.87 115.29 116.94 3mgg s HIS 106 Ca -0.02 -0.10 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 3mgg s HIS 106 Cb 0.09 0.08 -0.00 0.00 1.11 0.00 0.00 32.58 33.86 3mgg s HIS 106 CO 0.83 -0.51 -0.20 0.42 -0.85 0.00 0.00 174.74 174.43 3mgg s ILE 107 N -2.72 1.67 -0.22 0.60 -1.09 0.11 -1.74 121.20 117.81 3mgg s ILE 107 Ca -0.04 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.56 3mgg s ILE 107 Cb -0.00 -1.43 0.04 0.00 -1.58 0.00 0.00 42.46 39.49 3mgg s ILE 107 CO -0.04 0.47 -0.15 0.12 -1.23 0.00 0.00 174.94 174.11 3mgg s PHE 108 N 0.04 3.03 -0.21 3.97 5.36 0.18 -0.63 117.98 129.72 3mgg s PHE 108 Ca -0.06 -2.01 -0.02 0.00 -0.96 0.00 0.00 56.93 53.89 3mgg s PHE 108 Cb -0.13 -1.92 0.01 0.00 -0.34 0.00 0.00 43.02 40.64 3mgg s PHE 108 CO 0.03 -0.85 -0.11 0.08 -1.46 0.00 0.00 175.22 172.92 3mgg s VAL 109 N 1.19 2.82 -0.09 3.12 1.01 0.17 -1.62 120.40 127.01 3mgg s VAL 109 Ca -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 3mgg s VAL 109 Cb -0.17 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 33.99 3mgg s VAL 109 CO -0.09 0.45 0.08 0.00 0.00 0.00 0.00 175.10 175.54 3mgg n PHE 111 N 5.29 -2.23 -0.04 0.00 3.72 0.67 -4.86 117.46 120.02 3mgg n PHE 111 Ca -0.04 0.92 -0.09 0.00 -0.05 0.00 0.00 57.45 58.19 3mgg n PHE 111 Cb 0.50 -4.77 -0.03 0.00 -0.94 0.00 0.00 39.48 34.24 3mgg n PHE 111 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3mgg n VAL 112 N -4.36 0.59 0.21 -4.37 0.31 -1.26 -4.71 118.33 104.74 3mgg n VAL 112 Ca -0.22 -0.07 0.13 0.00 -0.01 0.00 0.00 64.34 64.17 3mgg n VAL 112 Cb 0.64 -1.65 0.72 0.00 -0.91 0.00 0.00 33.84 32.65 3mgg n VAL 112 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3mgg h LEU 113 N -0.32 0.00 -2.32 7.52 3.38 -1.91 -2.17 115.31 119.49 3mgg h LEU 113 Ca -0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3mgg h LEU 113 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3mgg h LEU 113 CO -0.12 0.00 -0.00 1.05 0.09 0.00 0.00 178.44 179.46 3mgg h GLU 114 N 0.00 0.00 -0.29 1.13 4.11 -1.84 -1.60 114.58 116.09 3mgg h GLU 114 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3mgg h GLU 114 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3mgg h GLU 114 CO -0.00 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.80 3mgg n HIS 115 N -4.04 0.37 -3.97 2.06 8.25 -0.82 -0.05 115.22 117.02 3mgg n HIS 115 Ca -0.03 -0.19 -0.21 0.00 -0.26 0.00 0.00 57.72 57.03 3mgg n HIS 115 Cb 0.09 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.16 3mgg n HIS 115 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3mgg s LEU 116 N -1.49 3.75 -0.16 2.41 1.43 -0.60 -4.61 118.68 119.42 3mgg s LEU 116 Ca 0.35 -0.34 0.14 0.00 -1.03 0.00 0.00 54.13 53.25 3mgg s LEU 116 Cb 0.20 -2.32 -0.19 0.00 0.03 0.00 0.00 46.19 43.91 3mgg s LEU 116 CO 0.28 -0.18 0.05 1.67 0.23 0.00 0.00 176.35 178.40 3mgg n GLN 117 N -1.28 1.42 -3.33 1.70 7.27 -1.25 -4.20 117.38 117.71 3mgg n GLN 117 Ca -0.05 -0.01 -0.26 0.00 0.07 0.00 0.00 57.00 56.75 3mgg n GLN 117 Cb 0.59 -1.40 -0.07 0.00 2.41 0.00 0.00 30.24 31.76 3mgg n GLN 117 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3mgg n SER 118 N -2.59 2.94 -0.25 1.69 7.64 -1.26 -4.94 113.62 116.85 3mgg n SER 118 Ca -0.26 -3.28 0.03 0.00 1.01 0.00 0.00 58.87 56.37 3mgg n SER 118 Cb 1.01 -0.66 0.16 0.00 -1.01 0.00 0.00 64.21 63.71 3mgg n SER 118 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3mgg h PRO 119 N 4.03 0.52 -0.64 1.43 0.11 -1.88 -2.06 132.00 133.51 3mgg h PRO 119 Ca 0.16 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.33 3mgg h PRO 119 Cb 0.71 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.63 3mgg h PRO 119 CO 0.74 0.35 0.29 1.49 -0.21 0.00 0.00 178.00 180.66 3mgg h GLU 120 N 0.54 0.50 -0.61 1.05 4.81 -1.92 -1.45 114.58 117.50 3mgg h GLU 120 Ca 0.37 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3mgg h GLU 120 Cb 0.47 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 3mgg h GLU 120 CO -0.32 0.33 0.24 0.93 -0.73 0.00 0.00 179.01 179.46 3mgg h GLU 121 N 0.51 0.89 -0.55 1.92 4.39 -1.80 -1.25 114.58 118.70 3mgg h GLU 121 Ca 0.31 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 3mgg h GLU 121 Cb 0.34 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3mgg h GLU 121 CO -0.27 0.73 0.00 0.00 -1.16 0.00 0.00 179.01 178.32 3mgg h ALA 122 N 1.39 0.96 -0.12 3.43 0.00 -1.08 -0.67 119.26 123.17 3mgg h ALA 122 Ca 0.21 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3mgg h ALA 122 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3mgg h ALA 122 CO -0.02 0.63 -0.52 -0.07 0.00 0.00 0.00 179.25 179.27 3mgg h LEU 123 N 0.87 0.36 -0.52 0.00 3.38 -0.84 -0.76 115.31 117.80 3mgg h LEU 123 Ca 0.16 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3mgg h LEU 123 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3mgg h LEU 123 CO 0.02 0.82 -0.64 0.11 0.09 0.00 0.00 178.44 178.84 3mgg h LYS 124 N 0.26 0.37 -0.22 1.13 1.57 -1.00 -0.69 116.57 117.99 3mgg h LYS 124 Ca 0.01 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 3mgg h LYS 124 Cb 1.01 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3mgg h LYS 124 CO 0.09 0.89 -0.04 1.03 -0.57 0.00 0.00 179.45 180.85 3mgg h SER 125 N 0.27 0.42 -0.66 0.86 0.87 -0.90 -2.99 113.55 111.42 3mgg h SER 125 Ca -0.01 -0.35 -0.05 0.00 -1.23 0.00 0.00 61.79 60.14 3mgg h SER 125 Cb 1.18 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 3mgg h SER 125 CO 0.11 0.67 0.21 -0.07 -0.53 0.00 0.00 176.83 177.21 3mgg h LEU 126 N 0.16 0.98 -1.76 2.23 3.38 -1.07 -2.49 115.31 116.74 3mgg h LEU 126 Ca 0.06 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 57.97 3mgg h LEU 126 Cb 0.48 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3mgg h LEU 126 CO 0.02 0.92 0.39 0.50 0.09 0.00 0.00 178.44 180.36 3mgg h LYS 127 N 1.01 0.25 -0.84 1.13 3.64 -0.98 -1.78 116.57 118.99 3mgg h LYS 127 Ca 0.22 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3mgg h LYS 127 Cb 0.29 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3mgg h LYS 127 CO -0.01 0.16 0.52 0.87 -2.27 0.00 0.00 179.45 178.73 3mgg h LYS 128 N 0.25 1.14 -0.01 1.90 1.57 -1.31 -2.63 116.57 117.48 3mgg h LYS 128 Ca 0.27 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3mgg h LYS 128 Cb 0.73 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3mgg h LYS 128 CO -0.06 0.79 -0.03 1.33 -0.57 0.00 0.00 179.45 180.91 3mgg n VAL 129 N -4.45 0.00 -3.55 0.50 0.24 -0.69 -1.18 118.33 109.20 3mgg n VAL 129 Ca 0.09 -0.16 -0.37 0.00 -2.04 0.00 0.00 64.34 61.86 3mgg n VAL 129 Cb 0.05 0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 3mgg n VAL 129 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3mgg s LEU 130 N -2.09 4.45 0.43 1.34 2.96 -0.99 -1.19 118.68 123.58 3mgg s LEU 130 Ca 0.38 0.89 -0.13 0.00 -0.22 0.00 0.00 54.13 55.05 3mgg s LEU 130 Cb 0.21 -2.62 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 3mgg s LEU 130 CO 0.37 0.30 0.84 -1.59 -1.32 0.00 0.00 176.35 174.95 3mgg s LYS 131 N -1.23 3.87 0.22 1.98 -2.85 -0.27 -3.96 119.74 117.50 3mgg s LYS 131 Ca 0.25 0.66 -0.32 0.00 -1.00 0.00 0.00 55.97 55.56 3mgg s LYS 131 Cb -0.16 -2.31 -0.13 0.00 -2.06 0.00 0.00 37.83 33.17 3mgg s LYS 131 CO 0.13 -0.08 1.53 -2.30 0.10 0.00 0.00 175.35 174.74 3mgg n PRO 132 N -1.25 2.26 0.00 1.78 -0.02 -1.26 -0.61 135.00 135.91 3mgg n PRO 132 Ca 0.04 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3mgg n PRO 132 Cb 0.54 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3mgg n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgg n GLY 133 N 2.81 2.11 3.79 -1.23 0.00 0.22 -4.95 105.19 107.94 3mgg n GLY 133 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3mgg n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mgg s GLY 134 N -2.18 1.61 0.24 -0.02 0.00 0.23 -4.74 107.32 102.46 3mgg s GLY 134 Ca 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 44.72 44.08 3mgg s GLY 134 CO 0.00 -0.08 -0.12 -0.51 0.00 0.00 0.00 173.10 172.39 3mgg s THR 135 N -3.37 1.81 -0.01 0.90 -4.23 -1.14 -1.42 115.64 108.17 3mgg s THR 135 Ca 0.67 -2.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.02 3mgg s THR 135 Cb -0.12 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 3mgg s THR 135 CO 0.53 -0.48 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.46 3mgg s ILE 136 N -2.92 1.33 -0.10 2.99 2.07 0.28 -0.71 121.20 124.13 3mgg s ILE 136 Ca 0.26 -0.73 0.03 0.00 -1.41 0.00 0.00 60.65 58.79 3mgg s ILE 136 Cb 0.00 -1.11 0.01 0.00 0.13 0.00 0.00 42.46 41.49 3mgg s ILE 136 CO 0.10 0.37 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.41 3mgg s THR 137 N -0.41 1.76 -0.10 4.00 2.01 0.19 -1.63 115.64 121.47 3mgg s THR 137 Ca 0.06 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.27 3mgg s THR 137 Cb -0.07 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.90 3mgg s THR 137 CO -0.01 0.49 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.53 3mgg s VAL 138 N 0.64 1.75 -0.14 3.82 1.01 -0.38 0.41 120.40 127.51 3mgg s VAL 138 Ca -0.13 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 3mgg s VAL 138 Cb -0.16 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.71 3mgg s VAL 138 CO 0.04 0.49 -0.08 -0.63 0.00 0.00 0.00 175.10 174.91 3mgg s ILE 139 N 0.55 1.20 0.04 2.22 1.01 0.59 -0.63 121.20 126.18 3mgg s ILE 139 Ca -0.15 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3mgg s ILE 139 Cb -0.17 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 3mgg s ILE 139 CO 0.05 0.30 -0.05 -1.61 0.00 0.00 0.00 174.94 173.62 3mgg s GLU 140 N 1.62 0.48 0.73 2.79 0.41 -0.82 -0.24 118.70 123.68 3mgg s GLU 140 Ca 0.03 -0.80 -0.03 0.00 -0.41 0.00 0.00 54.97 53.76 3mgg s GLU 140 Cb -0.14 -0.09 0.12 0.00 -1.78 0.00 0.00 34.13 32.25 3mgg s GLU 140 CO -0.09 -0.01 1.02 0.20 -0.49 0.00 0.00 175.26 175.89 3mgg s GLY 141 N -1.80 1.76 -0.31 -1.39 0.00 -1.26 -1.17 107.32 103.16 3mgg s GLY 141 Ca -0.09 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.06 3mgg s GLY 141 CO -0.02 -1.03 0.36 -0.35 0.00 0.00 0.00 173.10 172.06 3mgg s ASP 142 N -4.72 1.06 0.57 1.64 -1.08 -1.20 -1.70 116.67 111.24 3mgg s ASP 142 Ca 0.66 -0.75 0.38 0.00 -0.52 0.00 0.00 52.55 52.32 3mgg s ASP 142 Cb -0.06 0.76 2.06 0.00 -1.46 0.00 0.00 42.92 44.22 3mgg s ASP 142 CO 0.45 -0.35 2.17 0.45 0.52 0.00 0.00 175.17 178.41 3mgg h HIS 143 N 8.01 0.00 0.00 -5.34 3.86 -1.61 -0.69 115.15 119.38 3mgg h HIS 143 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3mgg h HIS 143 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 3mgg h HIS 143 CO 0.28 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.48 3mgg n GLY 144 N -1.08 -1.12 0.43 2.45 0.00 -1.26 -2.62 105.19 101.99 3mgg n GLY 144 Ca -0.02 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3mgg n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mgg n SER 145 N -1.39 1.55 -4.63 1.61 3.41 -0.27 -4.90 113.62 109.01 3mgg n SER 145 Ca 0.08 -1.29 -0.42 0.00 -0.26 0.00 0.00 58.87 56.98 3mgg n SER 145 Cb 0.21 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3mgg n SER 145 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mgg s TYR 147 N 3.22 0.20 0.36 0.00 1.13 -1.05 -5.03 117.35 116.18 3mgg s TYR 147 Ca 0.38 -0.59 -0.13 0.00 -1.41 0.00 0.00 57.07 55.32 3mgg s TYR 147 Cb -0.14 -0.12 0.04 0.00 -1.10 0.00 0.00 41.96 40.64 3mgg s TYR 147 CO 0.12 -0.46 0.71 -0.59 -2.51 0.00 0.00 175.55 172.82 3mgg s PHE 148 N -3.42 0.29 -0.03 -3.49 -0.71 -1.26 -1.36 117.98 108.00 3mgg s PHE 148 Ca 0.02 -0.85 -0.01 0.00 -1.04 0.00 0.00 56.93 55.05 3mgg s PHE 148 Cb 0.03 0.63 0.02 0.00 -1.21 0.00 0.00 43.02 42.49 3mgg s PHE 148 CO -0.08 -1.44 0.06 -1.58 -1.34 0.00 0.00 175.22 170.84 3mgg s HIS 149 N -2.65 -0.05 0.65 3.49 2.46 -0.33 -3.72 115.29 115.14 3mgg s HIS 149 Ca 0.18 0.21 -0.16 0.00 0.47 0.00 0.00 55.06 55.76 3mgg s HIS 149 Cb -0.04 -0.11 -0.00 0.00 -0.13 0.00 0.00 32.58 32.30 3mgg s HIS 149 CO 0.13 -0.08 1.17 -1.25 -2.47 0.00 0.00 174.74 172.23 3mgg s PRO 150 N 0.71 2.69 -1.54 2.88 0.04 -1.26 -1.16 135.00 137.36 3mgg s PRO 150 Ca -0.06 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 3mgg s PRO 150 Cb -0.08 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3mgg s PRO 150 CO -0.03 -1.39 2.73 0.39 0.04 0.00 0.00 177.00 178.75 3mgg n GLU 151 N -2.18 3.80 -1.70 4.56 4.71 -1.24 -4.86 120.64 123.73 3mgg n GLU 151 Ca 0.12 -2.55 -0.42 0.00 -0.01 0.00 0.00 57.16 54.30 3mgg n GLU 151 Cb 0.51 -2.82 -0.03 0.00 -1.01 0.00 0.00 31.44 28.08 3mgg n GLU 151 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3mgg n GLY 152 N 3.22 1.65 0.24 0.62 0.00 -1.26 -4.88 105.19 104.78 3mgg n GLY 152 Ca 0.71 0.70 -0.00 0.00 0.00 0.00 0.00 46.02 47.43 3mgg n GLY 152 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3mgg h LYS 153 N 8.20 0.36 -0.15 1.61 2.10 -1.99 -0.73 116.57 125.97 3mgg h LYS 153 Ca -0.46 -0.10 -0.21 0.00 -2.00 0.00 0.00 60.65 57.88 3mgg h LYS 153 Cb 1.22 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3mgg h LYS 153 CO 0.95 0.53 -0.73 0.87 -2.00 0.00 0.00 179.45 179.07 3mgg h LYS 154 N 0.33 0.68 -0.70 0.07 1.79 -1.91 -1.28 116.57 115.55 3mgg h LYS 154 Ca 0.06 -0.53 -0.02 0.00 -2.18 0.00 0.00 60.65 57.98 3mgg h LYS 154 Cb 0.51 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 3mgg h LYS 154 CO 0.03 1.15 0.37 0.00 -1.08 0.00 0.00 179.45 179.93 3mgg h ALA 155 N 0.70 1.34 -0.43 3.86 0.00 -1.58 0.45 119.26 123.61 3mgg h ALA 155 Ca -0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3mgg h ALA 155 Cb 1.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3mgg h ALA 155 CO 0.14 0.54 -0.26 0.82 0.00 0.00 0.00 179.25 180.49 3mgg h ILE 156 N 0.98 1.27 -0.58 0.00 2.04 -0.96 -1.97 117.51 118.29 3mgg h ILE 156 Ca 0.25 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 3mgg h ILE 156 Cb 0.04 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3mgg h ILE 156 CO -0.04 0.48 0.08 -0.33 0.00 0.00 0.00 178.15 178.35 3mgg h GLU 157 N 0.78 0.97 -0.07 2.37 5.08 -0.42 -1.42 114.58 121.88 3mgg h GLU 157 Ca 0.09 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3mgg h GLU 157 Cb 0.82 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3mgg h GLU 157 CO 0.07 0.93 0.03 0.00 -1.00 0.00 0.00 179.01 179.04 3mgg h ALA 158 N 1.01 0.09 -0.51 3.43 0.00 -0.83 -2.63 119.26 119.81 3mgg h ALA 158 Ca 0.18 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3mgg h ALA 158 Cb 0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3mgg h ALA 158 CO 0.01 -0.37 0.26 2.35 0.00 0.00 0.00 179.25 181.51 3mgg h TRP 159 N 0.01 0.49 0.00 0.00 2.91 -1.22 -1.01 115.95 117.12 3mgg h TRP 159 Ca 0.02 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 3mgg h TRP 159 Cb 0.09 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.60 3mgg h TRP 159 CO -0.04 0.24 -0.00 -0.91 -1.03 0.00 0.00 178.44 176.70 3mgg h ASN 160 N 0.52 0.00 -0.09 2.65 2.35 -1.05 -0.87 115.58 119.07 3mgg h ASN 160 Ca 0.22 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 3mgg h ASN 160 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3mgg h ASN 160 CO -0.15 0.00 -0.20 0.00 -1.65 0.00 0.00 177.43 175.43 3mgg h LEU 162 N 0.44 0.79 -0.24 0.00 3.38 -1.20 0.67 115.31 119.15 3mgg h LEU 162 Ca 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3mgg h LEU 162 Cb 0.59 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3mgg h LEU 162 CO 0.04 0.69 0.04 0.40 0.09 0.00 0.00 178.44 179.70 3mgg h ILE 163 N 0.84 1.22 -0.72 1.22 2.04 -1.48 -2.36 117.51 118.27 3mgg h ILE 163 Ca 0.21 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3mgg h ILE 163 Cb 0.09 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3mgg h ILE 163 CO -0.03 0.24 0.22 0.03 0.00 0.00 0.00 178.15 178.61 3mgg h ARG 164 N 0.20 1.12 -0.32 2.37 3.08 -0.97 -1.76 114.38 118.09 3mgg h ARG 164 Ca 0.07 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 3mgg h ARG 164 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3mgg h ARG 164 CO 0.00 0.96 -0.02 0.28 -1.07 0.00 0.00 179.97 180.12 3mgg h VAL 165 N 1.06 1.27 -0.92 2.04 2.07 -0.85 -0.73 116.25 120.19 3mgg h VAL 165 Ca 0.23 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3mgg h VAL 165 Cb 0.31 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3mgg h VAL 165 CO -0.01 0.33 0.51 -0.61 0.02 0.00 0.00 177.57 177.81 3mgg h GLN 166 N 0.37 1.27 -0.62 1.57 4.15 -1.31 -1.89 115.11 118.65 3mgg h GLN 166 Ca 0.09 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 3mgg h GLN 166 Cb 0.48 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3mgg h GLN 166 CO 0.02 0.92 0.12 0.00 -1.93 0.00 0.00 178.83 177.97 3mgg h ALA 167 N 1.28 0.82 0.00 3.38 0.00 -1.16 0.23 119.26 123.81 3mgg h ALA 167 Ca 0.32 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mgg h ALA 167 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3mgg h ALA 167 CO -0.05 0.56 0.00 0.98 0.00 0.00 0.00 179.25 180.73 3mgg n TYR 168 N -4.30 0.00 -2.05 0.00 9.36 -0.29 -3.92 117.16 115.96 3mgg n TYR 168 Ca 0.03 -0.03 0.04 0.00 3.32 0.00 0.00 57.90 61.27 3mgg n TYR 168 Cb 0.26 -0.22 0.07 0.00 -0.63 0.00 0.00 39.34 38.82 3mgg n TYR 168 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3mgg n LYS 170 N 1.76 0.48 -2.91 2.98 4.76 -1.11 -5.10 118.16 119.02 3mgg n LYS 170 Ca 0.00 -2.13 -0.14 0.00 -2.87 0.00 0.00 58.31 53.17 3mgg n LYS 170 Cb 0.02 -0.62 -0.01 0.00 -1.84 0.00 0.00 35.03 32.58 3mgg n LYS 170 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mgg n GLY 171 N -0.16 3.38 2.73 0.72 0.00 0.05 -3.78 105.19 108.14 3mgg n GLY 171 Ca 0.09 -2.26 -0.19 0.00 0.00 0.00 0.00 46.02 43.66 3mgg n GLY 171 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mgg s ASN 172 N -2.42 1.93 0.00 1.61 2.47 0.93 -3.89 114.94 115.56 3mgg s ASN 172 Ca 0.08 -0.82 0.15 0.00 0.42 0.00 0.00 52.86 52.68 3mgg s ASN 172 Cb -0.01 0.39 0.66 0.00 -1.45 0.00 0.00 41.25 40.84 3mgg s ASN 172 CO 0.05 -0.40 1.45 -1.54 -3.72 0.00 0.00 177.10 172.94 3mgg n SER 173 N 5.30 0.00 -1.48 -4.21 3.41 -1.26 -2.42 113.62 112.96 3mgg n SER 173 Ca -0.03 0.37 0.09 0.00 -0.26 0.00 0.00 58.87 59.05 3mgg n SER 173 Cb 0.46 -0.44 0.33 0.00 -0.26 0.00 0.00 64.21 64.30 3mgg n SER 173 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mgg n LEU 174 N -1.44 4.36 0.11 1.04 4.77 -1.26 -1.56 117.00 123.03 3mgg n LEU 174 Ca 0.05 -2.20 0.03 0.00 -0.03 0.00 0.00 56.01 53.86 3mgg n LEU 174 Cb 0.15 -0.55 0.42 0.00 -2.33 0.00 0.00 43.42 41.12 3mgg n LEU 174 CO 0.13 0.79 0.95 -0.37 -1.33 0.00 0.00 177.39 177.55 3mgg h VAL 175 N 3.87 1.15 -0.86 4.08 -1.51 -1.65 -3.26 116.25 118.07 3mgg h VAL 175 Ca 0.00 -0.62 0.21 0.00 -1.23 0.00 0.00 66.70 65.06 3mgg h VAL 175 Cb 1.30 1.09 -0.15 0.00 -2.13 0.00 0.00 31.29 31.40 3mgg h VAL 175 CO 0.19 0.20 0.01 1.23 -1.23 0.00 0.00 177.57 177.96 3mgg h GLY 176 N 0.64 1.00 2.00 5.19 0.00 -1.58 -0.38 103.07 109.94 3mgg h GLY 176 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3mgg h GLY 176 CO 0.01 -0.37 0.00 0.07 0.00 0.00 0.00 176.54 176.25 3mgg h ARG 177 N 0.07 0.00 -0.33 4.80 0.11 -1.83 -2.88 114.38 114.32 3mgg h ARG 177 Ca 0.49 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.48 3mgg h ARG 177 Cb 0.91 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.94 3mgg h ARG 177 CO -0.78 0.00 0.01 0.00 0.10 0.00 0.00 179.97 179.30 3mgg n GLN 178 N -2.99 2.55 0.03 0.08 10.64 -0.15 -4.64 117.38 122.90 3mgg n GLN 178 Ca -0.02 -2.97 -0.01 0.00 -1.83 0.00 0.00 57.00 52.17 3mgg n GLN 178 Cb 0.09 -1.86 0.29 0.00 -0.86 0.00 0.00 30.24 27.89 3mgg n GLN 178 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 3mgg h ILE 179 N 1.52 1.22 0.48 -0.39 2.04 -1.56 -1.70 117.51 119.12 3mgg h ILE 179 Ca 0.11 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3mgg h ILE 179 Cb 1.60 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3mgg h ILE 179 CO 0.33 0.31 -0.23 0.22 0.00 0.00 0.00 178.15 178.77 3mgg h TYR 180 N 0.42 -0.60 0.00 1.37 3.20 -1.86 -0.02 116.97 119.48 3mgg h TYR 180 Ca 0.08 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3mgg h TYR 180 Cb 0.44 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 3mgg h TYR 180 CO 0.01 -0.30 -0.14 -1.00 -1.64 0.00 0.00 178.16 175.09 3mgg h PRO 181 N -0.81 0.00 -0.32 1.82 0.13 -1.88 0.30 132.00 131.23 3mgg h PRO 181 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 3mgg h PRO 181 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 3mgg h PRO 181 CO 0.11 0.14 0.03 -0.07 -0.23 0.00 0.00 178.00 177.98 3mgg h LEU 182 N 0.00 0.53 -0.66 1.56 3.38 -1.12 0.14 115.31 119.15 3mgg h LEU 182 Ca -0.00 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 3mgg h LEU 182 Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3mgg h LEU 182 CO 0.02 0.69 -0.15 -0.07 0.09 0.00 0.00 178.44 179.02 3mgg h LEU 183 N 0.36 0.90 -0.00 1.67 4.07 -0.43 -1.45 115.31 120.42 3mgg h LEU 183 Ca 0.09 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 57.75 3mgg h LEU 183 Cb 0.40 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 3mgg h LEU 183 CO 0.01 1.04 0.00 -0.61 -1.08 0.00 0.00 178.44 177.80 3mgg h GLN 184 N 0.79 0.01 0.00 1.13 -0.00 -0.12 -2.53 115.11 114.39 3mgg h GLN 184 Ca 0.12 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.74 3mgg h GLN 184 Cb 0.68 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.15 3mgg h GLN 184 CO 0.05 0.20 -0.13 0.93 0.00 0.00 0.00 178.83 179.88 3mgg h GLU 185 N -0.19 0.00 0.00 1.69 4.39 -0.70 -2.29 114.58 117.48 3mgg h GLU 185 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3mgg h GLU 185 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3mgg h GLU 185 CO -0.00 0.13 0.00 0.43 -1.16 0.00 0.00 179.01 178.41 3mgg n SER 186 N -3.37 0.00 0.00 1.42 7.64 -0.55 -4.90 113.62 113.87 3mgg n SER 186 Ca -0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.33 3mgg n SER 186 Cb 0.33 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3mgg n SER 186 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgg n GLY 187 N 0.63 0.84 3.85 0.23 0.00 -0.86 -4.76 105.19 105.11 3mgg n GLY 187 Ca 0.05 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3mgg n GLY 187 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mgg s PHE 188 N -2.00 3.40 0.40 1.61 0.08 -0.98 -4.64 117.98 115.85 3mgg s PHE 188 Ca 0.00 1.37 0.07 0.00 0.12 0.00 0.00 56.93 58.49 3mgg s PHE 188 Cb 0.00 -2.80 -0.08 0.00 -0.57 0.00 0.00 43.02 39.57 3mgg s PHE 188 CO 0.00 -0.84 0.01 -1.21 -0.10 0.00 0.00 175.22 173.08 3mgg s GLU 189 N -4.90 1.93 -1.53 0.44 0.41 -0.37 -4.74 118.70 109.93 3mgg s GLU 189 Ca 0.57 -2.09 -0.09 0.00 -0.41 0.00 0.00 54.97 52.95 3mgg s GLU 189 Cb -0.12 -1.60 0.07 0.00 -1.78 0.00 0.00 34.13 30.70 3mgg s GLU 189 CO 0.50 -0.05 0.65 1.63 -0.49 0.00 0.00 175.26 177.50 3mgg n LYS 190 N -0.94 -3.62 -2.61 1.61 5.02 -1.26 -1.47 118.16 114.88 3mgg n LYS 190 Ca -0.05 0.43 -0.40 0.00 -2.02 0.00 0.00 58.31 56.27 3mgg n LYS 190 Cb 0.67 -4.90 -0.05 0.00 -0.02 0.00 0.00 35.03 30.73 3mgg n LYS 190 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mgg s ILE 191 N -3.61 3.82 -0.08 -0.18 1.01 -1.26 -4.56 121.20 116.34 3mgg s ILE 191 Ca 0.38 1.79 -0.04 0.00 0.00 0.00 0.00 60.65 62.77 3mgg s ILE 191 Cb -0.20 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.17 3mgg s ILE 191 CO 0.89 0.41 0.20 -0.13 0.00 0.00 0.00 174.94 176.31 3mgg s ARG 192 N -1.16 0.16 -0.02 2.79 0.52 -0.84 -4.99 118.95 115.41 3mgg s ARG 192 Ca 0.44 0.43 0.04 0.00 -0.52 0.00 0.00 55.73 56.11 3mgg s ARG 192 Cb -0.29 -0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.06 3mgg s ARG 192 CO 0.36 -0.15 -0.13 0.08 0.02 0.00 0.00 175.30 175.48 3mgg s VAL 193 N 1.07 1.05 -0.03 3.52 1.01 -1.26 -0.76 120.40 125.00 3mgg s VAL 193 Ca -0.08 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3mgg s VAL 193 Cb -0.10 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.41 3mgg s VAL 193 CO -0.06 0.30 0.17 -1.83 0.00 0.00 0.00 175.10 173.68 3mgg s GLU 194 N -0.21 0.38 0.52 2.72 -1.05 -0.36 -4.99 118.70 115.72 3mgg s GLU 194 Ca 0.03 -0.11 -0.17 0.00 -0.15 0.00 0.00 54.97 54.57 3mgg s GLU 194 Cb -0.06 0.17 -0.07 0.00 -0.44 0.00 0.00 34.13 33.72 3mgg s GLU 194 CO -0.00 -0.08 1.00 -1.25 0.95 0.00 0.00 175.26 175.88 3mgg s PRO 195 N -0.76 3.81 0.13 -4.83 0.04 -1.26 -1.50 135.00 130.62 3mgg s PRO 195 Ca -0.08 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.07 3mgg s PRO 195 Cb -0.05 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3mgg s PRO 195 CO 0.01 -0.40 -0.12 1.03 0.04 0.00 0.00 177.00 177.57 3mgg s ARG 196 N -3.91 1.03 -0.28 4.56 1.81 0.74 -4.90 118.95 118.00 3mgg s ARG 196 Ca 0.61 -1.33 0.01 0.00 -1.72 0.00 0.00 55.73 53.30 3mgg s ARG 196 Cb -0.12 -0.75 0.17 0.00 -0.45 0.00 0.00 34.95 33.81 3mgg s ARG 196 CO 0.30 0.12 0.51 0.08 -0.68 0.00 0.00 175.30 175.63 3mgg s VAL 198 N -2.71 -0.83 -0.16 3.52 1.01 0.17 -0.86 120.40 120.53 3mgg s VAL 198 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 3mgg s VAL 198 Cb -0.01 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3mgg s VAL 198 CO 0.02 -0.10 -0.05 -0.47 0.00 0.00 0.00 175.10 174.51 3mgg s TYR 199 N 2.71 2.99 -0.01 5.22 5.04 -1.26 -1.68 117.35 130.35 3mgg s TYR 199 Ca 0.13 -0.43 0.04 0.00 -2.44 0.00 0.00 57.07 54.37 3mgg s TYR 199 Cb -0.13 -1.97 -0.01 0.00 0.35 0.00 0.00 41.96 40.20 3mgg s TYR 199 CO -0.24 -0.14 -0.13 0.42 -1.34 0.00 0.00 175.55 174.13 3mgg s ILE 200 N 0.56 1.00 0.28 3.14 1.01 0.31 -4.99 121.20 122.51 3mgg s ILE 200 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3mgg s ILE 200 Cb -0.15 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 3mgg s ILE 200 CO 0.03 0.28 0.30 1.51 0.00 0.00 0.00 174.94 177.06 3mgg s ASP 201 N -0.25 0.83 0.31 3.58 1.47 -1.26 -1.21 116.67 120.14 3mgg s ASP 201 Ca 0.04 -1.49 0.21 0.00 1.18 0.00 0.00 52.55 52.49 3mgg s ASP 201 Cb -0.05 0.53 1.14 0.00 -0.34 0.00 0.00 42.92 44.19 3mgg s ASP 201 CO -0.00 -1.05 1.64 -1.54 0.68 0.00 0.00 175.17 174.89 3mgg n SER 202 N -0.99 0.54 -0.08 2.11 3.41 -1.25 -1.45 113.62 115.92 3mgg n SER 202 Ca 0.03 0.75 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 3mgg n SER 202 Cb 0.63 -0.82 0.79 0.00 -0.26 0.00 0.00 64.21 64.55 3mgg n SER 202 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mgg n SER 203 N -2.24 0.24 -3.22 4.04 3.41 -1.26 -4.02 113.62 110.57 3mgg n SER 203 Ca -0.01 -1.18 -0.26 0.00 -0.26 0.00 0.00 58.87 57.16 3mgg n SER 203 Cb 0.04 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 3mgg n SER 203 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mgg n LYS 204 N -0.77 2.30 -0.09 4.33 5.02 -0.53 -4.94 118.16 123.48 3mgg n LYS 204 Ca 0.21 -4.37 0.13 0.00 -2.02 0.00 0.00 58.31 52.26 3mgg n LYS 204 Cb 0.14 -2.03 0.52 0.00 -0.02 0.00 0.00 35.03 33.63 3mgg n LYS 204 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3mgg h PRO 205 N 3.67 0.36 -0.68 1.97 0.13 -1.79 -1.39 132.00 134.27 3mgg h PRO 205 Ca 0.15 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 3mgg h PRO 205 Cb 0.68 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.70 3mgg h PRO 205 CO 0.74 0.24 0.16 1.05 -0.23 0.00 0.00 178.00 179.96 3mgg h GLU 206 N 0.37 1.08 0.05 0.86 9.09 -1.95 -1.77 114.58 122.31 3mgg h GLU 206 Ca 0.29 -0.25 -0.23 0.00 0.05 0.00 0.00 59.36 59.22 3mgg h GLU 206 Cb 0.64 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 3mgg h GLU 206 CO -0.08 0.96 -1.04 -0.07 0.05 0.00 0.00 179.01 178.82 3mgg h LEU 207 N 1.03 0.30 0.13 3.06 3.38 -1.80 -0.09 115.31 121.32 3mgg h LEU 207 Ca 0.21 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3mgg h LEU 207 Cb 0.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3mgg h LEU 207 CO 0.00 1.16 -0.12 0.58 0.09 0.00 0.00 178.44 180.16 3mgg h VAL 208 N 0.09 0.74 -0.00 1.22 2.07 -1.02 0.25 116.25 119.59 3mgg h VAL 208 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3mgg h VAL 208 Cb 1.74 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3mgg h VAL 208 CO 0.16 0.00 -0.01 -0.78 0.02 0.00 0.00 177.57 176.96 3mgg h ASP 209 N -0.27 0.02 -0.57 0.57 3.58 -1.39 -2.20 116.42 116.16 3mgg h ASP 209 Ca 0.00 -0.62 -0.07 0.00 0.42 0.00 0.00 57.03 56.76 3mgg h ASP 209 Cb 0.25 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 3mgg h ASP 209 CO -0.03 0.63 0.08 1.23 -2.88 0.00 0.00 179.24 178.27 3mgg h GLY 210 N -0.60 1.02 0.00 -0.78 0.00 -1.01 -0.94 103.07 100.76 3mgg h GLY 210 Ca -0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 47.33 46.38 3mgg h GLY 210 CO 0.00 0.64 -1.58 0.33 0.00 0.00 0.00 176.54 175.93 3mgg n PHE 211 N -4.32 0.52 0.19 5.60 7.35 0.87 -3.35 117.46 124.31 3mgg n PHE 211 Ca 0.02 0.23 -0.11 0.00 -0.76 0.00 0.00 57.45 56.83 3mgg n PHE 211 Cb 0.28 -0.95 -0.06 0.00 0.35 0.00 0.00 39.48 39.10 3mgg n PHE 211 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3mgg h ILE 212 N -1.00 0.31 -0.10 -2.13 2.04 -1.27 0.23 117.51 115.59 3mgg h ILE 212 Ca -0.39 -0.65 -0.18 0.00 1.00 0.00 0.00 64.86 64.64 3mgg h ILE 212 Cb 1.27 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3mgg h ILE 212 CO -0.23 0.07 -0.68 -0.07 0.00 0.00 0.00 178.15 177.24 3mgg h LEU 213 N -1.03 0.50 -1.76 1.44 3.38 -1.40 -1.32 115.31 115.12 3mgg h LEU 213 Ca -0.05 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3mgg h LEU 213 Cb 0.52 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3mgg h LEU 213 CO 0.09 1.04 0.00 0.29 0.09 0.00 0.00 178.44 179.95 3mgg n LYS 214 N -3.87 1.50 0.08 1.13 5.02 -0.36 -4.31 118.16 117.34 3mgg n LYS 214 Ca -0.04 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.66 3mgg n LYS 214 Cb 0.67 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 3mgg n LYS 214 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3mgg n THR 215 N 0.97 0.75 0.51 -0.18 -1.04 -0.86 -4.76 114.28 109.67 3mgg n THR 215 Ca 0.11 0.25 -0.20 0.00 -2.04 0.00 0.00 64.05 62.16 3mgg n THR 215 Cb 0.44 -1.17 -0.09 0.00 -1.82 0.00 0.00 70.33 67.68 3mgg n THR 215 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3mgg h ILE 216 N 0.00 0.00 -0.38 12.58 1.08 -0.45 -3.28 117.51 127.06 3mgg h ILE 216 Ca 0.00 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.48 3mgg h ILE 216 Cb 0.00 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 3mgg h ILE 216 CO 0.00 0.00 0.22 0.40 -0.69 0.00 0.00 178.15 178.08 3mgg h ILE 217 N -1.31 1.03 0.00 -0.67 2.04 -1.47 -1.73 117.51 115.40 3mgg h ILE 217 Ca -0.13 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3mgg h ILE 217 Cb 1.00 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3mgg h ILE 217 CO 0.22 0.08 0.00 -2.65 0.00 0.00 0.00 178.15 175.80 3mgg n PRO 218 N -4.88 0.06 0.00 2.37 -0.02 -1.24 -1.18 135.00 130.11 3mgg n PRO 218 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3mgg n PRO 218 Cb 0.06 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3mgg n PRO 218 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3mgg n VAL 220 N 1.19 0.00 -0.16 -1.45 0.31 -0.65 -1.44 118.33 116.12 3mgg n VAL 220 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 3mgg n VAL 220 Cb 0.03 0.00 0.49 0.00 -0.91 0.00 0.00 33.84 33.45 3mgg n VAL 220 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3mgg h GLU 221 N 0.00 0.42 0.00 5.55 4.39 -1.42 -1.14 114.58 122.39 3mgg h GLU 221 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3mgg h GLU 221 Cb 0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3mgg h GLU 221 CO 0.00 0.28 0.04 0.41 -1.16 0.00 0.00 179.01 178.58 3mgg n GLY 222 N -1.52 -0.60 0.04 -3.84 0.00 -0.52 -1.81 105.19 96.93 3mgg n GLY 222 Ca 0.14 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.26 3mgg n GLY 222 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3mgg n VAL 223 N -1.76 1.12 0.31 1.61 0.24 -0.43 -4.83 118.33 114.59 3mgg n VAL 223 Ca -0.01 -1.23 -0.18 0.00 -2.04 0.00 0.00 64.34 60.89 3mgg n VAL 223 Cb 0.05 0.34 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 3mgg n VAL 223 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3mgg h LYS 224 N 0.00 -0.91 -0.54 7.34 3.64 -1.41 -0.05 116.57 124.65 3mgg h LYS 224 Ca 0.00 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3mgg h LYS 224 Cb 0.72 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 3mgg h LYS 224 CO 0.00 -0.60 0.19 0.93 -2.27 0.00 0.00 179.45 177.69 3mgg h GLU 225 N -0.94 0.79 -0.56 1.90 3.07 -1.88 0.39 114.58 117.35 3mgg h GLU 225 Ca -0.06 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.58 3mgg h GLU 225 Cb 0.80 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 3mgg h GLU 225 CO 0.00 0.67 -0.02 0.37 -1.40 0.00 0.00 179.01 178.63 3mgg h GLN 226 N 0.77 0.97 -0.30 2.33 5.75 -1.86 -1.28 115.11 121.49 3mgg h GLN 226 Ca 0.18 -0.30 -0.16 0.00 -0.15 0.00 0.00 58.65 58.22 3mgg h GLN 226 Cb 0.20 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3mgg h GLN 226 CO -0.01 0.97 -0.45 0.77 -2.65 0.00 0.00 178.83 177.45 3mgg h SER 227 N 0.89 0.86 -0.64 -0.69 0.02 -0.44 -3.07 113.55 110.48 3mgg h SER 227 Ca 0.16 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 3mgg h SER 227 Cb 0.55 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3mgg h SER 227 CO 0.03 1.18 0.19 -0.07 -1.14 0.00 0.00 176.83 177.02 3mgg h LEU 228 N 0.63 0.96 -2.41 5.07 3.38 -0.70 -0.94 115.31 121.31 3mgg h LEU 228 Ca 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3mgg h LEU 228 Cb 1.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3mgg h LEU 228 CO 0.10 0.91 0.00 0.29 0.09 0.00 0.00 178.44 179.83 3mgg n LYS 229 N -4.26 0.54 0.00 1.13 5.02 -0.51 -4.62 118.16 115.47 3mgg n LYS 229 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3mgg n LYS 229 Cb 0.23 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3mgg n LYS 229 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3mgg n GLN 231 N 1.01 0.00 -0.19 1.97 6.02 -0.40 -5.11 117.38 120.68 3mgg n GLN 231 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 3mgg n GLN 231 Cb 0.27 0.00 0.19 0.00 1.02 0.00 0.00 30.24 31.72 3mgg n GLN 231 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3mgg n ILE 232 N 0.00 0.68 -3.56 5.09 -5.35 -0.96 -4.98 119.36 110.28 3mgg n ILE 232 Ca 0.00 -0.84 -0.07 0.00 -0.27 0.00 0.00 62.75 61.57 3mgg n ILE 232 Cb 0.00 0.78 -0.03 0.00 -1.74 0.00 0.00 39.64 38.65 3mgg n ILE 232 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 3mgg s ILE 233 N -1.15 0.00 0.12 7.28 2.07 -1.26 -5.06 121.20 123.19 3mgg s ILE 233 Ca 0.32 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.58 3mgg s ILE 233 Cb 0.18 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 3mgg s ILE 233 CO 0.24 0.00 0.23 -0.54 -1.91 0.00 0.00 174.94 172.96 3mgg s LYS 234 N -2.28 3.35 0.47 3.50 -0.14 -1.26 -4.61 119.74 118.78 3mgg s LYS 234 Ca 0.05 -0.58 0.20 0.00 -1.36 0.00 0.00 55.97 54.28 3mgg s LYS 234 Cb -0.01 -2.94 1.21 0.00 -1.68 0.00 0.00 37.83 34.40 3mgg s LYS 234 CO -0.05 0.55 1.96 1.49 -0.76 0.00 0.00 175.35 178.54 3mgg h GLU 235 N 2.55 0.22 0.49 1.68 4.22 -1.99 -0.67 114.58 121.08 3mgg h GLU 235 Ca -0.47 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 58.93 3mgg h GLU 235 Cb 1.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3mgg h GLU 235 CO 0.70 0.15 -0.24 1.49 -2.18 0.00 0.00 179.01 178.94 3mgg h GLU 236 N 0.23 -0.64 0.00 1.92 4.81 -2.00 -2.55 114.58 116.35 3mgg h GLU 236 Ca 0.31 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3mgg h GLU 236 Cb 0.92 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3mgg h GLU 236 CO -0.06 -0.42 -0.01 1.05 -0.73 0.00 0.00 179.01 178.83 3mgg h GLU 237 N -1.10 0.00 -0.25 1.92 4.11 -1.93 -1.13 114.58 116.21 3mgg h GLU 237 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 3mgg h GLU 237 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3mgg h GLU 237 CO 0.11 0.01 0.07 2.35 0.07 0.00 0.00 179.01 181.62 3mgg h TRP 238 N 0.00 0.41 -0.67 2.06 2.91 -1.15 0.27 115.95 119.77 3mgg h TRP 238 Ca -0.00 -0.05 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 3mgg h TRP 238 Cb 0.02 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.52 3mgg h TRP 238 CO 0.00 0.47 0.31 0.93 -1.03 0.00 0.00 178.44 179.12 3mgg h GLU 239 N 0.23 0.97 -0.66 2.65 5.08 -0.84 -1.39 114.58 120.61 3mgg h GLU 239 Ca 0.08 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3mgg h GLU 239 Cb 0.26 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3mgg h GLU 239 CO -0.00 0.77 0.21 -0.22 -1.00 0.00 0.00 179.01 178.77 3mgg h LYS 240 N 0.93 1.01 -0.80 2.33 1.63 -1.03 -2.06 116.57 118.57 3mgg h LYS 240 Ca 0.23 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 3mgg h LYS 240 Cb 0.13 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 3mgg h LYS 240 CO -0.03 0.86 0.38 0.78 -3.45 0.00 0.00 179.45 178.00 3mgg h GLY 241 N 1.06 1.24 1.05 5.01 0.00 0.20 -0.73 103.07 110.89 3mgg h GLY 241 Ca 0.22 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 3mgg h GLY 241 CO -0.01 0.58 -0.07 -2.22 0.00 0.00 0.00 176.54 174.82 3mgg h ILE 242 N 1.14 1.27 -0.58 2.60 1.08 -0.91 -1.43 117.51 120.67 3mgg h ILE 242 Ca 0.28 -1.20 -0.04 0.00 -0.39 0.00 0.00 64.86 63.51 3mgg h ILE 242 Cb 0.12 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 3mgg h ILE 242 CO -0.03 0.42 0.18 -0.08 -0.69 0.00 0.00 178.15 177.95 3mgg h GLU 243 N 0.81 0.87 -0.04 2.37 4.57 -1.02 -1.95 114.58 120.20 3mgg h GLU 243 Ca 0.14 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 3mgg h GLU 243 Cb 0.62 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3mgg h GLU 243 CO 0.04 0.75 -0.57 0.93 -1.18 0.00 0.00 179.01 178.98 3mgg h GLU 244 N 0.85 0.13 -0.47 1.92 5.08 -0.83 -2.80 114.58 118.46 3mgg h GLU 244 Ca 0.19 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3mgg h GLU 244 Cb 0.24 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3mgg h GLU 244 CO -0.01 0.67 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.50 3mgg h LEU 245 N 0.10 0.85 -1.63 1.33 3.38 -0.72 -2.60 115.31 116.02 3mgg h LEU 245 Ca -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3mgg h LEU 245 Cb 1.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3mgg h LEU 245 CO 0.08 0.97 0.09 0.45 0.09 0.00 0.00 178.44 180.13 3mgg h HIS 246 N 0.78 0.32 0.00 1.13 3.86 -1.12 -2.07 115.15 118.05 3mgg h HIS 246 Ca 0.13 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3mgg h HIS 246 Cb 0.61 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 3mgg h HIS 246 CO 0.03 0.27 -0.12 -0.22 0.86 0.00 0.00 177.93 178.75 3mgg h LYS 247 N 0.33 0.00 0.00 2.45 3.64 -1.26 -1.18 116.57 120.55 3mgg h LYS 247 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3mgg h LYS 247 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3mgg h LYS 247 CO -0.01 0.12 0.00 0.25 -2.27 0.00 0.00 179.45 177.54 3mgg n THR 248 N -3.84 0.75 -0.58 1.00 -2.24 -0.78 -2.24 114.28 106.35 3mgg n THR 248 Ca -0.02 0.12 0.09 0.00 -2.27 0.00 0.00 64.05 61.97 3mgg n THR 248 Cb 0.22 -0.97 0.33 0.00 -2.10 0.00 0.00 70.33 67.81 3mgg n THR 248 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mgg n ALA 249 N -1.70 2.92 -4.66 6.98 0.00 -0.45 -3.54 120.51 120.07 3mgg n ALA 249 Ca 0.03 -1.58 -0.33 0.00 0.00 0.00 0.00 53.44 51.57 3mgg n ALA 249 Cb 0.26 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 3mgg n ALA 249 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mgg n GLU 250 N 1.03 0.74 -1.65 0.00 1.02 -0.95 -4.98 120.64 115.84 3mgg n GLU 250 Ca 0.24 -3.74 -0.48 0.00 -0.02 0.00 0.00 57.16 53.17 3mgg n GLU 250 Cb 0.82 0.92 -0.05 0.00 -0.02 0.00 0.00 31.44 33.12 3mgg n GLU 250 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3mgg n HIS 251 N -1.36 2.09 0.00 -0.32 -0.00 -1.26 -0.96 115.22 113.41 3mgg n HIS 251 Ca -0.19 0.35 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 3mgg n HIS 251 Cb 0.65 -2.49 0.00 0.00 -0.00 0.00 0.00 29.99 28.15 3mgg n HIS 251 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3mgg n GLY 252 N 3.23 2.55 3.86 1.57 0.00 -1.26 -5.05 105.19 110.08 3mgg n GLY 252 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3mgg n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mgg s GLY 253 N -2.30 2.19 0.05 -0.02 0.00 -0.14 -4.70 107.32 102.41 3mgg s GLY 253 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 44.72 44.64 3mgg s GLY 253 CO 0.00 0.12 -0.04 -0.51 0.00 0.00 0.00 173.10 172.67 3mgg s THR 254 N -2.10 0.27 -0.06 0.90 -4.23 -0.31 -3.84 115.64 106.27 3mgg s THR 254 Ca 0.52 -1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 3mgg s THR 254 Cb -0.10 -1.29 0.02 0.00 1.34 0.00 0.00 72.50 72.47 3mgg s THR 254 CO 0.22 -0.88 0.27 0.12 -0.54 0.00 0.00 174.62 173.81 3mgg s PHE 255 N -3.37 -0.22 -0.00 3.99 5.36 -0.35 -1.19 117.98 122.19 3mgg s PHE 255 Ca 0.03 0.49 0.01 0.00 -0.96 0.00 0.00 56.93 56.50 3mgg s PHE 255 Cb 0.04 0.08 -0.00 0.00 -0.34 0.00 0.00 43.02 42.80 3mgg s PHE 255 CO -0.07 -0.23 -0.02 0.00 -1.46 0.00 0.00 175.22 173.43 3mgg s TYR 257 N 0.01 -0.57 -0.03 0.00 5.04 -0.68 -2.54 117.35 118.58 3mgg s TYR 257 Ca 0.00 1.28 0.07 0.00 -2.44 0.00 0.00 57.07 55.99 3mgg s TYR 257 Cb -0.02 0.23 -0.02 0.00 0.35 0.00 0.00 41.96 42.51 3mgg s TYR 257 CO -0.00 -0.30 -0.25 0.99 -1.34 0.00 0.00 175.55 174.66 3mgg s THR 258 N 0.81 1.96 0.25 4.34 2.01 -1.26 0.42 115.64 124.18 3mgg s THR 258 Ca -0.05 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 61.00 3mgg s THR 258 Cb -0.05 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3mgg s THR 258 CO -0.06 0.55 0.01 -0.36 -0.69 0.00 0.00 174.62 174.07 3mgg s PHE 259 N -0.45 2.75 -0.05 4.92 0.08 -0.04 -3.26 117.98 121.93 3mgg s PHE 259 Ca 0.06 -0.20 0.05 0.00 0.12 0.00 0.00 56.93 56.95 3mgg s PHE 259 Cb -0.11 -1.23 -0.00 0.00 -0.57 0.00 0.00 43.02 41.10 3mgg s PHE 259 CO 0.00 0.60 -0.19 -0.06 -0.10 0.00 0.00 175.22 175.47 3mgg s PHE 260 N -2.23 1.94 -0.11 0.36 0.08 -0.32 -0.18 117.98 117.52 3mgg s PHE 260 Ca 0.31 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.80 3mgg s PHE 260 Cb -0.07 -1.30 0.01 0.00 -0.57 0.00 0.00 43.02 41.10 3mgg s PHE 260 CO 0.20 -0.19 -0.17 0.21 -0.10 0.00 0.00 175.22 175.17 3mgg s LYS 261 N 0.01 2.38 0.18 0.44 2.20 -0.56 -1.95 119.74 122.43 3mgg s LYS 261 Ca -0.05 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 55.02 3mgg s LYS 261 Cb -0.12 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.19 3mgg s LYS 261 CO 0.03 -0.02 -0.16 0.20 -0.36 0.00 0.00 175.35 175.04 3mgg s GLY 262 N 0.85 1.38 0.01 5.54 0.00 0.20 -1.23 107.32 114.08 3mgg s GLY 262 Ca -0.09 -1.53 0.04 0.00 0.00 0.00 0.00 44.72 43.14 3mgg s GLY 262 CO 0.00 -1.60 -0.13 -0.98 0.00 0.00 0.00 173.10 170.39 3mgg s TRP 263 N -2.38 1.13 0.03 1.90 0.51 0.06 -1.25 118.94 118.94 3mgg s TRP 263 Ca 0.17 -0.28 -0.07 0.00 -2.12 0.00 0.00 56.10 53.80 3mgg s TRP 263 Cb -0.04 -0.70 -0.00 0.00 -0.81 0.00 0.00 33.47 31.92 3mgg s TRP 263 CO 0.06 0.00 0.14 0.20 -0.51 0.00 0.00 176.95 176.85 3mgg s GLY 264 N -0.71 0.10 -0.06 0.98 0.00 -0.65 -2.00 107.32 104.99 3mgg s GLY 264 Ca 0.03 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.41 3mgg s GLY 264 CO 0.00 -0.53 -0.19 -1.59 0.00 0.00 0.00 173.10 170.79 3mgg s THR 265 N -2.38 1.62 -0.01 0.90 2.01 -0.54 -0.56 115.64 116.67 3mgg s THR 265 Ca -0.07 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 3mgg s THR 265 Cb -0.02 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3mgg s THR 265 CO -0.03 0.46 1.22 -0.75 -0.69 0.00 0.00 174.62 174.82 3mgg s LYS 266 N 0.12 4.37 0.45 4.92 2.20 -0.51 -1.24 119.74 130.05 3mgg s LYS 266 Ca -0.07 1.73 -0.22 0.00 -0.36 0.00 0.00 55.97 57.05 3mgg s LYS 266 Cb -0.13 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 3mgg s LYS 266 CO 0.04 -0.39 1.05 -1.83 -0.36 0.00 0.00 175.35 173.86 3mgg s GLU 267 N 1.84 3.95 0.00 4.03 4.04 -1.26 -0.61 118.70 130.69 3mgg s GLU 267 Ca 0.58 1.46 0.00 0.00 0.04 0.00 0.00 54.97 57.05 3mgg s GLU 267 Cb -0.27 -2.32 0.00 0.00 0.02 0.00 0.00 34.13 31.57 3mgg s GLU 267 CO 0.25 -0.32 0.16 0.41 -1.84 0.00 0.00 175.26 173.92