#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgx s VAL 7 N 0.00 4.16 -0.29 0.00 1.01 -1.26 -5.00 120.40 119.02 3mgx s VAL 7 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 3mgx s VAL 7 Cb 0.00 -2.82 0.09 0.00 0.00 0.00 0.00 36.38 33.65 3mgx s VAL 7 CO 0.00 0.50 0.10 -0.62 0.00 0.00 0.00 175.10 175.08 3mgx s ASP 8 N 0.16 3.76 0.00 3.32 2.15 -1.26 -0.06 116.67 124.74 3mgx s ASP 8 Ca 0.00 -1.44 0.30 0.00 0.43 0.00 0.00 52.55 51.84 3mgx s ASP 8 Cb -0.13 -0.70 1.63 0.00 -0.30 0.00 0.00 42.92 43.41 3mgx s ASP 8 CO 0.02 -0.41 2.07 0.18 -0.17 0.00 0.00 175.17 176.86 3mgx n LEU 9 N 4.97 0.00 -0.41 -1.34 4.77 -1.26 -2.94 117.00 120.79 3mgx n LEU 9 Ca -0.04 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 3mgx n LEU 9 Cb 0.43 -0.15 0.55 0.00 -2.33 0.00 0.00 43.42 41.92 3mgx n LEU 9 CO 0.10 -0.01 0.88 0.61 -1.33 0.00 0.00 177.39 177.64 3mgx n GLY 10 N 1.04 -0.11 3.65 -0.72 0.00 -1.26 -4.86 105.19 102.92 3mgx n GLY 10 Ca 0.18 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3mgx n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mgx s ASN 11 N -1.89 6.82 0.58 1.61 3.84 -1.15 -4.86 114.94 119.89 3mgx s ASN 11 Ca 0.38 1.52 0.38 0.00 0.21 0.00 0.00 52.86 55.34 3mgx s ASN 11 Cb 0.20 -2.54 1.79 0.00 -0.55 0.00 0.00 41.25 40.15 3mgx s ASN 11 CO 0.32 -0.90 2.12 -0.65 -2.79 0.00 0.00 177.10 175.20 3mgx h PRO 12 N 8.72 0.00 0.00 0.43 0.11 -1.89 -2.93 132.00 136.45 3mgx h PRO 12 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3mgx h PRO 12 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mgx h PRO 12 CO 0.99 0.00 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.23 3mgx h ASP 13 N 0.00 0.00 1.01 -2.05 3.32 -1.93 -2.62 116.42 114.14 3mgx h ASP 13 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mgx h ASP 13 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3mgx h ASP 13 CO 0.00 0.11 0.00 -0.07 -1.72 0.00 0.00 179.24 177.56 3mgx h LEU 14 N 0.00 0.00 -2.83 1.55 3.38 -1.92 -3.27 115.31 112.22 3mgx h LEU 14 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mgx h LEU 14 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3mgx h LEU 14 CO 0.01 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.32 3mgx n TYR 15 N -2.68 0.01 0.22 1.13 4.01 -0.99 -4.19 117.16 114.68 3mgx n TYR 15 Ca 0.02 -0.46 0.11 0.00 -0.16 0.00 0.00 57.90 57.41 3mgx n TYR 15 Cb 0.30 -0.05 0.41 0.00 -0.31 0.00 0.00 39.34 39.69 3mgx n TYR 15 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3mgx h THR 16 N 0.07 0.39 -1.81 -0.72 2.02 -1.60 -3.45 112.91 107.80 3mgx h THR 16 Ca 0.00 -1.11 -0.60 0.00 0.77 0.00 0.00 66.41 65.46 3mgx h THR 16 Cb 0.47 1.83 -0.12 0.00 -1.74 0.00 0.00 68.15 68.59 3mgx h THR 16 CO 0.00 0.17 -0.61 0.42 0.37 0.00 0.00 175.52 175.87 3mgx s THR 17 N -3.49 2.30 -1.54 3.16 -4.23 -1.26 -4.20 115.64 106.37 3mgx s THR 17 Ca 0.02 -2.01 0.18 0.00 -1.18 0.00 0.00 61.69 58.70 3mgx s THR 17 Cb 0.09 -2.84 0.35 0.00 1.34 0.00 0.00 72.50 71.44 3mgx s THR 17 CO 0.64 -0.12 1.53 0.18 -0.54 0.00 0.00 174.62 176.31 3mgx n LEU 18 N -0.95 0.00 0.15 4.79 4.77 -1.26 -2.81 117.00 121.69 3mgx n LEU 18 Ca -0.04 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.28 3mgx n LEU 18 Cb 0.64 -0.23 0.55 0.00 -2.33 0.00 0.00 43.42 42.05 3mgx n LEU 18 CO 0.45 -0.10 0.84 -0.62 -1.33 0.00 0.00 177.39 176.64 3mgx n GLU 19 N -1.23 0.16 -0.02 3.23 1.02 -1.26 -2.29 120.64 120.24 3mgx n GLU 19 Ca 0.09 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.92 3mgx n GLU 19 Cb 0.13 -1.93 0.56 0.00 -0.02 0.00 0.00 31.44 30.18 3mgx n GLU 19 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 3mgx h ARG 20 N 0.00 0.26 -0.33 3.49 0.11 -1.69 -1.43 114.38 114.79 3mgx h ARG 20 Ca 0.00 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.97 3mgx h ARG 20 Cb 0.14 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 3mgx h ARG 20 CO 0.00 0.17 -0.20 0.45 0.10 0.00 0.00 179.97 180.49 3mgx h HIS 21 N 0.27 0.69 -0.29 4.08 3.86 -1.75 -1.00 115.15 121.01 3mgx h HIS 21 Ca 0.23 -0.14 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3mgx h HIS 21 Cb 0.57 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3mgx h HIS 21 CO -0.00 0.78 -0.01 0.00 0.86 0.00 0.00 177.93 179.56 3mgx h ALA 22 N 1.23 0.39 -0.49 2.45 0.00 -1.45 0.30 119.26 121.68 3mgx h ALA 22 Ca 0.09 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3mgx h ALA 22 Cb 0.65 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3mgx h ALA 22 CO 0.05 0.14 0.32 0.00 0.00 0.00 0.00 179.25 179.76 3mgx h ARG 23 N 0.30 0.64 -0.50 0.00 3.08 -1.40 -2.51 114.38 113.98 3mgx h ARG 23 Ca 0.08 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 3mgx h ARG 23 Cb 0.45 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3mgx h ARG 23 CO 0.02 0.42 -0.11 -1.49 -1.07 0.00 0.00 179.97 177.74 3mgx h TRP 24 N 0.66 1.04 -0.59 3.04 6.55 -1.05 -2.91 115.95 122.69 3mgx h TRP 24 Ca 0.18 -0.21 -0.01 0.00 0.95 0.00 0.00 58.89 59.81 3mgx h TRP 24 Cb -0.07 -0.26 -0.03 0.00 -0.86 0.00 0.00 29.16 27.94 3mgx h TRP 24 CO -0.04 0.98 0.34 -0.09 -1.05 0.00 0.00 178.44 178.58 3mgx h ARG 25 N 0.84 0.81 -0.35 0.49 9.65 -0.24 0.88 114.38 126.46 3mgx h ARG 25 Ca 0.13 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3mgx h ARG 25 Cb 0.65 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 3mgx h ARG 25 CO 0.04 0.60 0.23 1.49 2.80 0.00 0.00 179.97 185.14 3mgx h GLU 26 N 0.80 0.46 0.00 0.20 4.81 -1.42 -1.93 114.58 117.49 3mgx h GLU 26 Ca 0.21 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 3mgx h GLU 26 Cb 0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3mgx h GLU 26 CO -0.04 0.31 -0.71 -0.07 -0.73 0.00 0.00 179.01 177.77 3mgx h LEU 27 N 0.47 0.00 -0.04 1.64 3.38 -1.29 -2.82 115.31 116.65 3mgx h LEU 27 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3mgx h LEU 27 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3mgx h LEU 27 CO -0.03 0.71 -0.61 0.00 0.09 0.00 0.00 178.44 178.60 3mgx h ALA 28 N 1.29 0.13 -0.16 1.53 0.00 -0.74 -1.27 119.26 120.04 3mgx h ALA 28 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 3mgx h ALA 28 Cb 1.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3mgx h ALA 28 CO 0.09 0.40 -0.33 0.00 0.00 0.00 0.00 179.25 179.41 3mgx h ALA 29 N 0.39 1.14 0.00 0.00 0.00 -1.41 -2.48 119.26 116.89 3mgx h ALA 29 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3mgx h ALA 29 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3mgx h ALA 29 CO 0.12 0.56 -0.11 0.93 0.00 0.00 0.00 179.25 180.75 3mgx h GLU 30 N 0.28 0.00 -5.79 0.00 5.08 -1.57 -3.49 114.58 109.09 3mgx h GLU 30 Ca 0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 3mgx h GLU 30 Cb 0.73 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.10 3mgx h GLU 30 CO 0.06 0.00 -0.77 -3.47 -1.00 0.00 0.00 179.01 173.83 3mgx n ASP 31 N -2.50 -6.26 -4.87 1.42 4.64 -0.77 -4.97 116.55 103.24 3mgx n ASP 31 Ca 0.05 -0.74 -0.34 0.00 -1.38 0.00 0.00 54.79 52.38 3mgx n ASP 31 Cb 0.46 -4.37 -0.05 0.00 -1.04 0.00 0.00 41.12 36.12 3mgx n ASP 31 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mgx s ALA 32 N -3.34 3.67 -0.41 -1.67 0.00 -0.55 -5.00 121.76 114.46 3mgx s ALA 32 Ca 0.37 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 3mgx s ALA 32 Cb -0.09 -2.34 0.10 0.00 0.00 0.00 0.00 23.12 20.79 3mgx s ALA 32 CO 0.79 0.55 0.22 -1.64 0.00 0.00 0.00 175.76 175.68 3mgx s MET 33 N -2.26 2.23 -0.20 0.00 -1.94 -1.26 -4.24 119.30 111.63 3mgx s MET 33 Ca 0.39 -1.70 -0.07 0.00 -1.71 0.00 0.00 55.69 52.60 3mgx s MET 33 Cb -0.13 -3.64 -0.03 0.00 2.01 0.00 0.00 34.83 33.03 3mgx s MET 33 CO 0.20 -1.04 0.04 0.08 -0.01 0.00 0.00 175.02 174.30 3mgx s VAL 34 N 1.24 4.45 -0.05 -6.03 1.01 -1.09 -4.89 120.40 115.03 3mgx s VAL 34 Ca 0.06 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 3mgx s VAL 34 Cb -0.23 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3mgx s VAL 34 CO -0.02 0.43 0.68 0.86 0.00 0.00 0.00 175.10 177.05 3mgx s TRP 35 N 0.76 3.60 -0.17 5.22 -0.11 -1.26 -1.32 118.94 125.66 3mgx s TRP 35 Ca 0.02 1.24 -0.06 0.00 1.22 0.00 0.00 56.10 58.53 3mgx s TRP 35 Cb -0.14 -2.77 -0.03 0.00 -1.50 0.00 0.00 33.47 29.03 3mgx s TRP 35 CO 0.02 0.13 0.01 -1.12 -4.62 0.00 0.00 176.95 171.38 3mgx s SER 36 N 0.62 5.23 0.53 5.86 0.01 0.88 -4.71 113.70 122.13 3mgx s SER 36 Ca 0.36 -0.02 -0.18 0.00 1.31 0.00 0.00 55.95 57.42 3mgx s SER 36 Cb -0.18 -1.88 -0.07 0.00 0.21 0.00 0.00 66.02 64.11 3mgx s SER 36 CO 0.18 0.17 1.04 -1.81 0.41 0.00 0.00 173.24 173.23 3mgx s ASP 37 N 0.37 6.18 0.34 2.44 1.01 0.92 -2.25 116.67 125.67 3mgx s ASP 37 Ca -0.00 1.83 -0.27 0.00 0.71 0.00 0.00 52.55 54.81 3mgx s ASP 37 Cb -0.13 -2.54 -0.12 0.00 1.01 0.00 0.00 42.92 41.13 3mgx s ASP 37 CO 0.01 -0.89 1.18 -2.65 0.21 0.00 0.00 175.17 173.03 3mgx n PRO 38 N -1.44 1.80 0.00 8.23 -0.02 -1.26 -4.69 135.00 137.62 3mgx n PRO 38 Ca 0.09 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3mgx n PRO 38 Cb 0.53 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3mgx n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mgx n GLY 39 N 0.95 -2.42 0.14 -1.23 0.00 -1.26 -4.87 105.19 96.50 3mgx n GLY 39 Ca 0.07 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.91 3mgx n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mgx h SER 40 N 0.00 0.00 -2.94 1.61 4.64 -1.89 -3.43 113.55 111.54 3mgx h SER 40 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3mgx h SER 40 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3mgx h SER 40 CO 0.00 0.59 -0.31 -0.55 -0.87 0.00 0.00 176.83 175.69 3mgx s SER 41 N -6.66 6.62 0.39 4.97 0.15 -1.26 -4.25 113.70 113.65 3mgx s SER 41 Ca 0.00 0.73 0.25 0.00 0.70 0.00 0.00 55.95 57.63 3mgx s SER 41 Cb 0.11 -2.16 0.58 0.00 -1.71 0.00 0.00 66.02 62.84 3mgx s SER 41 CO 0.75 0.29 1.69 1.55 1.20 0.00 0.00 173.24 178.72 3mgx h PRO 42 N 4.35 0.00 0.00 5.44 0.13 -1.84 -3.38 132.00 136.70 3mgx h PRO 42 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3mgx h PRO 42 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3mgx h PRO 42 CO 0.63 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.83 3mgx n SER 43 N -2.87 0.06 0.00 1.44 7.64 -1.26 -4.90 113.62 113.73 3mgx n SER 43 Ca 0.04 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.59 3mgx n SER 43 Cb 0.47 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 3mgx n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgx n GLY 44 N 0.20 -0.34 3.51 0.23 0.00 -1.26 -4.62 105.19 102.91 3mgx n GLY 44 Ca 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 3mgx n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mgx s PHE 45 N -1.85 -0.61 0.35 1.61 -0.71 -0.95 -4.61 117.98 111.21 3mgx s PHE 45 Ca 0.00 0.94 -0.07 0.00 -1.04 0.00 0.00 56.93 56.76 3mgx s PHE 45 Cb 0.00 0.44 -0.05 0.00 -1.21 0.00 0.00 43.02 42.20 3mgx s PHE 45 CO 0.00 -0.62 0.66 -1.58 -1.34 0.00 0.00 175.22 172.33 3mgx s TRP 46 N -1.64 3.48 -0.01 3.49 0.52 -0.73 -0.08 118.94 123.97 3mgx s TRP 46 Ca -0.08 0.80 0.02 0.00 0.02 0.00 0.00 56.10 56.86 3mgx s TRP 46 Cb -0.00 -2.24 0.00 0.00 -1.15 0.00 0.00 33.47 30.07 3mgx s TRP 46 CO 0.05 0.02 -0.06 -1.12 0.02 0.00 0.00 176.95 175.87 3mgx s SER 47 N -3.27 0.73 0.16 2.95 0.01 -0.44 -0.63 113.70 113.22 3mgx s SER 47 Ca 0.47 -0.11 0.09 0.00 1.31 0.00 0.00 55.95 57.71 3mgx s SER 47 Cb -0.10 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 3mgx s SER 47 CO 0.32 0.05 -0.12 0.68 0.41 0.00 0.00 173.24 174.58 3mgx s VAL 48 N 0.07 3.13 0.00 3.43 -7.23 0.05 -2.68 120.40 117.17 3mgx s VAL 48 Ca -0.00 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3mgx s VAL 48 Cb -0.05 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3mgx s VAL 48 CO -0.00 -0.04 0.00 0.49 -0.31 0.00 0.00 175.10 175.24 3mgx n PHE 49 N 0.27 0.00 -1.52 2.82 3.72 -1.26 -2.27 117.46 119.21 3mgx n PHE 49 Ca -0.12 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.97 3mgx n PHE 49 Cb 0.54 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.14 3mgx n PHE 49 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3mgx s SER 50 N -2.47 5.21 0.17 4.37 1.04 -1.26 -1.50 113.70 119.26 3mgx s SER 50 Ca 0.00 1.63 -0.14 0.00 0.48 0.00 0.00 55.95 57.92 3mgx s SER 50 Cb 0.00 -2.47 0.07 0.00 0.10 0.00 0.00 66.02 63.71 3mgx s SER 50 CO 0.00 -1.56 1.83 -0.74 0.98 0.00 0.00 173.24 173.75 3mgx h HIS 51 N -0.80 0.60 -0.07 5.02 2.76 -1.86 -1.76 115.15 119.05 3mgx h HIS 51 Ca -0.44 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 57.62 3mgx h HIS 51 Cb 1.22 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 3mgx h HIS 51 CO 0.61 0.37 -0.54 0.07 -1.30 0.00 0.00 177.93 177.14 3mgx h ARG 52 N 0.65 0.20 0.01 5.26 0.11 -1.93 -2.30 114.38 116.39 3mgx h ARG 52 Ca 0.19 -0.12 -0.22 0.00 0.10 0.00 0.00 59.98 59.92 3mgx h ARG 52 Cb -0.04 0.01 0.02 0.00 1.11 0.00 0.00 29.97 31.07 3mgx h ARG 52 CO -0.06 0.69 -0.87 0.00 0.10 0.00 0.00 179.97 179.83 3mgx h ALA 53 N 1.29 0.09 -0.37 0.08 0.00 -1.92 -2.77 119.26 115.66 3mgx h ALA 53 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 3mgx h ALA 53 Cb 1.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3mgx h ALA 53 CO 0.08 0.54 -0.15 0.00 0.00 0.00 0.00 179.25 179.72 3mgx h ALA 55 N 1.22 0.87 -0.30 0.00 0.00 -1.49 -2.62 119.26 116.94 3mgx h ALA 55 Ca 0.10 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 3mgx h ALA 55 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3mgx h ALA 55 CO 0.04 0.64 -0.39 0.00 0.00 0.00 0.00 179.25 179.54 3mgx h ALA 56 N 1.11 0.75 -0.45 0.00 0.00 -1.30 -2.08 119.26 117.28 3mgx h ALA 56 Ca 0.04 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3mgx h ALA 56 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3mgx h ALA 56 CO 0.08 0.66 -0.17 0.28 0.00 0.00 0.00 179.25 180.09 3mgx h VAL 57 N 0.59 1.27 -0.13 0.00 2.07 -1.37 -3.18 116.25 115.49 3mgx h VAL 57 Ca 0.05 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3mgx h VAL 57 Cb 0.93 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3mgx h VAL 57 CO 0.08 0.45 0.00 0.18 0.02 0.00 0.00 177.57 178.30 3mgx n LEU 58 N -4.13 1.93 -4.74 2.57 4.77 -0.99 -4.83 117.00 111.58 3mgx n LEU 58 Ca 0.01 -0.75 -0.38 0.00 -0.03 0.00 0.00 56.01 54.86 3mgx n LEU 58 Cb 0.42 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.48 3mgx n LEU 58 CO 0.45 0.38 0.97 0.00 -1.33 0.00 0.00 177.39 177.86 3mgx s ALA 59 N -1.84 2.69 0.39 -1.18 0.00 -0.79 -3.70 121.76 117.33 3mgx s ALA 59 Ca 0.34 1.32 0.07 0.00 0.00 0.00 0.00 51.96 53.70 3mgx s ALA 59 Cb 0.19 -3.57 0.80 0.00 0.00 0.00 0.00 23.12 20.54 3mgx s ALA 59 CO 0.29 -1.48 1.99 -1.35 0.00 0.00 0.00 175.76 175.22 3mgx h PRO 60 N 1.18 0.46 -0.00 0.00 0.11 -1.90 -2.49 132.00 129.35 3mgx h PRO 60 Ca -0.51 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3mgx h PRO 60 Cb 1.31 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mgx h PRO 60 CO 0.56 0.39 -0.25 -1.13 -0.21 0.00 0.00 178.00 177.36 3mgx n SER 61 N -4.40 0.60 -4.72 -2.05 3.41 -1.26 -4.90 113.62 100.30 3mgx n SER 61 Ca 0.02 -0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 57.74 3mgx n SER 61 Cb 0.14 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3mgx n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mgx s ALA 62 N -2.68 3.39 -1.17 7.33 0.00 -0.94 -4.93 121.76 122.76 3mgx s ALA 62 Ca 0.21 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 3mgx s ALA 62 Cb 0.19 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 3mgx s ALA 62 CO 0.55 -0.37 2.19 -0.35 0.00 0.00 0.00 175.76 177.79 3mgx n PRO 63 N 3.34 2.37 -4.09 0.00 -0.04 -1.26 -4.86 135.00 130.47 3mgx n PRO 63 Ca 0.07 -2.15 -0.11 0.00 -0.04 0.00 0.00 63.50 61.26 3mgx n PRO 63 Cb 0.46 -3.01 -0.11 0.00 -0.04 0.00 0.00 33.50 30.81 3mgx n PRO 63 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mgx s LEU 64 N 1.36 2.36 0.11 1.53 1.02 -1.26 -1.57 118.68 122.22 3mgx s LEU 64 Ca 0.52 -0.73 0.04 0.00 0.02 0.00 0.00 54.13 53.99 3mgx s LEU 64 Cb 0.14 -0.08 -0.04 0.00 0.02 0.00 0.00 46.19 46.24 3mgx s LEU 64 CO -0.01 -0.33 -0.11 0.28 0.02 0.00 0.00 176.35 176.20 3mgx s THR 65 N -2.32 1.09 -1.42 5.49 -1.32 0.95 -4.88 115.64 113.23 3mgx s THR 65 Ca -0.02 -1.72 0.14 0.00 -1.21 0.00 0.00 61.69 58.87 3mgx s THR 65 Cb -0.04 -1.48 0.04 0.00 -1.51 0.00 0.00 72.50 69.52 3mgx s THR 65 CO -0.02 -0.54 0.83 -1.20 -2.21 0.00 0.00 174.62 171.47 3mgx n SER 66 N 0.44 1.72 0.32 8.08 7.64 -1.26 -1.18 113.62 129.38 3mgx n SER 66 Ca -0.15 -1.36 0.20 0.00 1.01 0.00 0.00 58.87 58.57 3mgx n SER 66 Cb 0.58 0.28 1.09 0.00 -1.01 0.00 0.00 64.21 65.15 3mgx n SER 66 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 3mgx h GLU 67 N 1.97 0.00 -0.02 1.43 4.11 -1.85 0.41 114.58 120.64 3mgx h GLU 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3mgx h GLU 67 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3mgx h GLU 67 CO 0.00 0.01 -0.35 0.66 0.07 0.00 0.00 179.01 179.39 3mgx n TYR 68 N -3.33 0.00 0.00 2.06 4.01 -1.26 -3.87 117.16 114.76 3mgx n TYR 68 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3mgx n TYR 68 Cb 0.09 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3mgx n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mgx n GLY 69 N 1.39 3.87 0.28 2.72 0.00 0.13 -0.45 105.19 113.12 3mgx n GLY 69 Ca 0.11 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.47 3mgx n GLY 69 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3mgx n MET 70 N -1.64 0.65 -4.13 1.61 0.00 -1.26 -4.56 117.12 107.78 3mgx n MET 70 Ca 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 57.70 55.96 3mgx n MET 70 Cb 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 33.22 32.19 3mgx n MET 70 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3mgx s MET 71 N -1.20 0.73 0.25 3.17 -1.94 -1.26 0.07 119.30 119.12 3mgx s MET 71 Ca 0.13 -1.16 -0.31 0.00 -1.71 0.00 0.00 55.69 52.63 3mgx s MET 71 Cb 0.11 -0.21 -0.13 0.00 2.01 0.00 0.00 34.83 36.61 3mgx s MET 71 CO 0.01 -0.00 1.51 -0.89 -0.01 0.00 0.00 175.02 175.64 3mgx n ILE 72 N 0.40 0.80 0.00 2.53 2.08 -1.26 -2.49 119.36 121.42 3mgx n ILE 72 Ca -0.15 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 62.96 3mgx n ILE 72 Cb 0.59 -1.67 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 3mgx n ILE 72 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3mgx n GLY 73 N 2.43 1.74 3.47 7.39 0.00 -1.26 -4.98 105.19 113.97 3mgx n GLY 73 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3mgx n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mgx s PHE 74 N -1.79 2.59 0.00 1.61 0.08 -1.04 -4.60 117.98 114.83 3mgx s PHE 74 Ca 0.00 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.82 3mgx s PHE 74 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 3mgx s PHE 74 CO 0.00 0.26 0.00 -0.40 -0.10 0.00 0.00 175.22 174.98 3mgx n ASP 75 N 1.58 0.00 -0.11 1.36 5.68 -0.27 -4.84 116.55 119.94 3mgx n ASP 75 Ca -0.16 -0.56 -0.06 0.00 -0.50 0.00 0.00 54.79 53.51 3mgx n ASP 75 Cb 0.52 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.63 3mgx n ASP 75 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3mgx h ARG 76 N 0.00 0.81 0.00 0.11 2.43 -1.87 -2.84 114.38 113.02 3mgx h ARG 76 Ca 0.00 -0.25 -0.15 0.00 -0.81 0.00 0.00 59.98 58.77 3mgx h ARG 76 Cb 0.00 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3mgx h ARG 76 CO 0.00 0.85 -0.82 -0.44 -1.51 0.00 0.00 179.97 178.06 3mgx h ASP 77 N 0.74 0.00 -3.12 -3.80 3.32 -1.97 -3.38 116.42 108.21 3mgx h ASP 77 Ca 0.13 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.57 3mgx h ASP 77 Cb 0.54 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.68 3mgx h ASP 77 CO 0.03 0.68 -0.70 -1.00 -1.72 0.00 0.00 179.24 176.54 3mgx s HIS 78 N -2.87 2.71 0.50 4.55 3.76 -1.16 -5.12 115.29 117.66 3mgx s HIS 78 Ca 0.02 -2.95 -0.17 0.00 -0.15 0.00 0.00 55.06 51.81 3mgx s HIS 78 Cb 0.08 -2.18 -0.08 0.00 1.11 0.00 0.00 32.58 31.51 3mgx s HIS 78 CO 0.78 -0.67 0.97 -1.25 -0.85 0.00 0.00 174.74 173.73 3mgx s PRO 79 N -0.71 3.98 0.16 8.40 0.05 -1.08 -1.11 135.00 144.68 3mgx s PRO 79 Ca 0.25 0.95 -0.31 0.00 0.05 0.00 0.00 61.00 61.94 3mgx s PRO 79 Cb -0.08 -2.15 -0.10 0.00 0.05 0.00 0.00 34.50 32.22 3mgx s PRO 79 CO -0.13 -0.23 1.52 0.34 0.05 0.00 0.00 177.00 178.54 3mgx s ASP 80 N -2.97 6.65 0.53 6.66 -1.08 0.40 -4.91 116.67 121.95 3mgx s ASP 80 Ca 0.59 2.54 0.19 0.00 -0.52 0.00 0.00 52.55 55.36 3mgx s ASP 80 Cb -0.10 -2.59 1.39 0.00 -1.46 0.00 0.00 42.92 40.16 3mgx s ASP 80 CO 0.29 -0.77 2.16 -1.13 0.52 0.00 0.00 175.17 176.24 3mgx h ASN 81 N 6.72 0.00 0.79 -0.34 -0.73 -1.95 0.01 115.58 120.08 3mgx h ASN 81 Ca -0.43 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.74 3mgx h ASN 81 Cb 1.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.80 3mgx h ASN 81 CO 0.90 0.01 -0.09 -1.20 -0.37 0.00 0.00 177.43 176.68 3mgx n SER 82 N -4.35 0.13 -4.69 1.15 7.64 -1.26 -4.94 113.62 107.29 3mgx n SER 82 Ca -0.03 0.17 -0.54 0.00 1.01 0.00 0.00 58.87 59.49 3mgx n SER 82 Cb 0.10 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 3mgx n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgx n GLY 83 N 1.44 1.06 1.32 0.23 0.00 -0.01 -1.05 105.19 108.18 3mgx n GLY 83 Ca 0.09 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.99 3mgx n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgx n GLY 84 N 4.16 1.42 0.48 -0.02 0.00 0.79 -4.84 105.19 107.19 3mgx n GLY 84 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 3mgx n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgx n ARG 85 N -2.00 0.27 -2.78 1.61 1.74 -0.21 -4.84 116.66 110.44 3mgx n ARG 85 Ca 0.00 0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 3mgx n ARG 85 Cb 0.00 -1.01 -0.05 0.00 -1.02 0.00 0.00 32.46 30.38 3mgx n ARG 85 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3mgx s MET 86 N -2.23 4.72 0.20 5.56 1.75 -0.66 -4.81 119.30 123.84 3mgx s MET 86 Ca -0.17 1.41 -0.15 0.00 -1.25 0.00 0.00 55.69 55.53 3mgx s MET 86 Cb 0.06 -3.33 0.21 0.00 2.84 0.00 0.00 34.83 34.61 3mgx s MET 86 CO 0.23 0.35 1.62 1.98 -0.65 0.00 0.00 175.02 178.56 3mgx h MET 87 N 5.00 -0.03 0.00 4.11 4.05 -1.91 -1.40 114.93 124.76 3mgx h MET 87 Ca -0.44 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.97 3mgx h MET 87 Cb 1.21 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.01 3mgx h MET 87 CO 0.70 -0.02 -0.07 -0.24 0.23 0.00 0.00 176.91 177.51 3mgx h VAL 88 N -0.03 0.22 -0.26 -5.77 3.04 -1.97 -2.65 116.25 108.83 3mgx h VAL 88 Ca 0.29 -0.55 -0.16 0.00 -1.01 0.00 0.00 66.70 65.26 3mgx h VAL 88 Cb 0.46 1.44 -0.11 0.00 -2.01 0.00 0.00 31.29 31.08 3mgx h VAL 88 CO -0.63 0.07 -0.36 1.33 -1.01 0.00 0.00 177.57 176.97 3mgx n VAL 89 N -3.26 2.42 -4.31 1.51 0.24 -0.59 -4.81 118.33 109.53 3mgx n VAL 89 Ca -0.01 -3.20 -0.17 0.00 -2.04 0.00 0.00 64.34 58.93 3mgx n VAL 89 Cb 0.28 -0.42 -0.10 0.00 -1.47 0.00 0.00 33.84 32.13 3mgx n VAL 89 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3mgx s SER 90 N -3.00 2.25 0.41 -1.34 1.04 -0.84 -0.15 113.70 112.07 3mgx s SER 90 Ca 0.43 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.89 3mgx s SER 90 Cb 0.39 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 3mgx s SER 90 CO -0.03 -0.23 0.18 -0.62 0.98 0.00 0.00 173.24 173.51 3mgx n GLU 91 N -0.29 0.54 0.00 4.02 -0.58 -1.26 -4.63 120.64 118.44 3mgx n GLU 91 Ca -0.09 -3.53 0.00 0.00 -0.42 0.00 0.00 57.16 53.12 3mgx n GLU 91 Cb 0.60 2.09 0.00 0.00 -0.57 0.00 0.00 31.44 33.57 3mgx n GLU 91 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3mgx n HIS 92 N -0.89 0.00 0.13 -0.32 8.25 -1.26 -2.55 115.22 118.58 3mgx n HIS 92 Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 3mgx n HIS 92 Cb 0.63 0.01 0.13 0.00 1.12 0.00 0.00 29.99 31.89 3mgx n HIS 92 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3mgx h GLU 93 N 0.00 0.00 -0.39 -0.41 4.39 -1.98 -1.82 114.58 114.37 3mgx h GLU 93 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3mgx h GLU 93 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3mgx h GLU 93 CO 0.00 0.63 -0.32 0.37 -1.16 0.00 0.00 179.01 178.54 3mgx h GLN 94 N 0.00 0.86 -0.31 2.33 5.75 -1.93 -0.29 115.11 121.51 3mgx h GLN 94 Ca -0.01 -0.40 -0.09 0.00 -0.15 0.00 0.00 58.65 58.00 3mgx h GLN 94 Cb 1.22 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.76 3mgx h GLN 94 CO 0.08 1.05 -0.17 1.25 -2.65 0.00 0.00 178.83 178.39 3mgx h HIS 95 N 0.72 0.76 -0.67 3.99 2.76 -1.41 -2.74 115.15 118.55 3mgx h HIS 95 Ca 0.08 -0.19 -0.06 0.00 -2.20 0.00 0.00 60.37 58.00 3mgx h HIS 95 Cb 0.87 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 3mgx h HIS 95 CO 0.05 0.89 0.20 -0.09 -1.30 0.00 0.00 177.93 177.68 3mgx h ARG 96 N 0.42 1.04 0.25 5.26 2.43 -1.26 -1.68 114.38 120.84 3mgx h ARG 96 Ca 0.07 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3mgx h ARG 96 Cb 0.70 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3mgx h ARG 96 CO 0.05 0.90 -0.12 -0.22 -1.51 0.00 0.00 179.97 179.07 3mgx h LYS 97 N 1.00 -0.33 -0.54 0.20 3.64 -1.06 -1.82 116.57 117.68 3mgx h LYS 97 Ca 0.22 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3mgx h LYS 97 Cb 0.31 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3mgx h LYS 97 CO -0.01 -0.12 0.06 -0.07 -2.27 0.00 0.00 179.45 177.05 3mgx h LEU 98 N -0.48 0.82 -1.40 5.20 -0.00 -1.43 -0.76 115.31 117.26 3mgx h LEU 98 Ca -0.03 -0.18 -0.06 0.00 -0.00 0.00 0.00 57.88 57.60 3mgx h LEU 98 Cb 0.36 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 3mgx h LEU 98 CO 0.06 0.85 -0.30 -0.09 -0.00 0.00 0.00 178.44 178.96 3mgx h ARG 99 N 0.82 0.00 -0.01 1.13 2.43 -1.30 -0.49 114.38 116.96 3mgx h ARG 99 Ca 0.17 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.10 3mgx h ARG 99 Cb 0.40 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3mgx h ARG 99 CO 0.01 0.30 -0.95 -0.22 -1.51 0.00 0.00 179.97 177.60 3mgx h LYS 100 N 0.00 0.51 -0.04 0.20 3.64 -0.58 -0.94 116.57 119.36 3mgx h LYS 100 Ca -0.00 -0.54 -0.25 0.00 -1.27 0.00 0.00 60.65 58.59 3mgx h LYS 100 Cb 0.56 0.15 0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3mgx h LYS 100 CO 0.04 1.17 -0.96 -0.07 -2.27 0.00 0.00 179.45 177.36 3mgx h LEU 101 N 0.30 0.86 0.04 5.20 4.07 -0.83 -3.35 115.31 121.59 3mgx h LEU 101 Ca -0.09 -0.65 -0.31 0.00 0.08 0.00 0.00 57.88 56.91 3mgx h LEU 101 Cb 1.59 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 43.03 3mgx h LEU 101 CO 0.17 1.45 -1.73 0.58 -1.08 0.00 0.00 178.44 177.83 3mgx h VAL 102 N 0.41 0.85 -0.50 1.22 2.07 -1.21 -3.42 116.25 115.65 3mgx h VAL 102 Ca -0.10 -2.66 0.05 0.00 0.82 0.00 0.00 66.70 64.81 3mgx h VAL 102 Cb 1.60 2.48 -0.06 0.00 -1.52 0.00 0.00 31.29 33.79 3mgx h VAL 102 CO 0.19 0.62 -0.30 0.61 0.02 0.00 0.00 177.57 178.71 3mgx n GLY 103 N 1.65 -2.25 0.31 2.17 0.00 -0.36 -1.69 105.19 105.03 3mgx n GLY 103 Ca -0.19 0.78 0.20 0.00 0.00 0.00 0.00 46.02 46.80 3mgx n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mgx h PRO 104 N 0.00 0.00 0.00 1.61 0.13 -1.82 -0.84 132.00 131.08 3mgx h PRO 104 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3mgx h PRO 104 Cb 0.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.34 3mgx h PRO 104 CO -0.47 0.01 -0.02 1.28 -0.23 0.00 0.00 178.00 178.57 3mgx n LEU 105 N -3.24 0.11 0.00 1.56 4.77 -0.68 -3.38 117.00 116.14 3mgx n LEU 105 Ca -0.02 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3mgx n LEU 105 Cb 0.13 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3mgx n LEU 105 CO 0.23 -0.02 0.45 0.18 -1.33 0.00 0.00 177.39 176.91 3mgx n LEU 106 N -1.59 1.71 -4.71 2.23 4.77 -0.38 -4.83 117.00 114.20 3mgx n LEU 106 Ca 0.07 -1.71 -0.29 0.00 -0.03 0.00 0.00 56.01 54.05 3mgx n LEU 106 Cb 0.35 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.62 3mgx n LEU 106 CO 0.28 0.43 0.68 -0.94 -1.33 0.00 0.00 177.39 176.50 3mgx s SER 107 N -0.81 2.49 0.21 -1.43 1.04 -0.84 -4.15 113.70 110.21 3mgx s SER 107 Ca 0.00 0.89 -0.09 0.00 0.48 0.00 0.00 55.95 57.23 3mgx s SER 107 Cb 0.00 -1.37 0.29 0.00 0.10 0.00 0.00 66.02 65.04 3mgx s SER 107 CO 0.00 -3.18 1.73 0.03 0.98 0.00 0.00 173.24 172.81 3mgx h ARG 108 N -1.93 0.36 -0.85 4.02 3.08 -1.91 0.19 114.38 117.33 3mgx h ARG 108 Ca -0.50 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 3mgx h ARG 108 Cb 1.32 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 3mgx h ARG 108 CO 0.52 0.24 0.48 0.00 -1.07 0.00 0.00 179.97 180.14 3mgx h ALA 109 N 1.44 1.09 -0.09 0.04 0.00 -1.92 -1.28 119.26 118.54 3mgx h ALA 109 Ca 0.31 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3mgx h ALA 109 Cb 0.41 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3mgx h ALA 109 CO -0.33 0.58 -0.51 0.00 0.00 0.00 0.00 179.25 178.99 3mgx h ALA 110 N 1.26 0.98 -0.26 0.00 0.00 -1.59 -3.06 119.26 116.58 3mgx h ALA 110 Ca 0.30 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3mgx h ALA 110 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mgx h ALA 110 CO -0.05 0.66 -0.26 0.00 0.00 0.00 0.00 179.25 179.60 3mgx h ALA 111 N 1.29 1.06 -0.31 0.00 0.00 -0.06 -2.94 119.26 118.29 3mgx h ALA 111 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 3mgx h ALA 111 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3mgx h ALA 111 CO 0.08 0.57 -0.28 0.00 0.00 0.00 0.00 179.25 179.62 3mgx h ARG 112 N 0.45 0.63 0.00 0.00 2.47 -1.16 -2.42 114.38 114.35 3mgx h ARG 112 Ca 0.06 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 3mgx h ARG 112 Cb 0.70 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 3mgx h ARG 112 CO 0.05 0.85 0.00 1.57 0.56 0.00 0.00 179.97 183.00 3mgx h LYS 113 N 0.55 0.00 -0.00 0.04 2.10 -1.50 -3.02 116.57 114.73 3mgx h LYS 113 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3mgx h LYS 113 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 3mgx h LYS 113 CO 0.06 0.00 -0.49 1.28 -2.00 0.00 0.00 179.45 178.30 3mgx n LEU 114 N -2.57 0.96 0.03 7.07 7.99 -1.05 -4.28 117.00 125.16 3mgx n LEU 114 Ca 0.04 -0.27 0.02 0.00 -0.01 0.00 0.00 56.01 55.80 3mgx n LEU 114 Cb 0.41 -0.13 0.38 0.00 -0.11 0.00 0.00 43.42 43.97 3mgx n LEU 114 CO 0.29 0.20 1.03 0.00 -1.51 0.00 0.00 177.39 177.40 3mgx h ALA 115 N 3.35 1.57 -0.67 -1.18 0.00 -1.31 -2.47 119.26 118.55 3mgx h ALA 115 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3mgx h ALA 115 Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3mgx h ALA 115 CO 0.00 0.33 0.16 1.49 0.00 0.00 0.00 179.25 181.23 3mgx h GLU 116 N 0.46 1.08 -0.62 0.00 4.57 -1.78 -2.56 114.58 115.73 3mgx h GLU 116 Ca 0.11 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 57.97 3mgx h GLU 116 Cb 0.15 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3mgx h GLU 116 CO -0.01 0.97 0.14 -0.09 -1.18 0.00 0.00 179.01 178.84 3mgx h ARG 117 N 1.01 1.00 -0.51 1.92 9.65 -1.72 -1.45 114.38 124.28 3mgx h ARG 117 Ca 0.21 -0.24 0.02 0.00 -1.10 0.00 0.00 59.98 58.87 3mgx h ARG 117 Cb 0.37 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 3mgx h ARG 117 CO 0.00 0.91 0.31 0.28 2.80 0.00 0.00 179.97 184.27 3mgx h VAL 118 N 0.91 1.06 -0.40 0.20 2.07 -1.39 0.18 116.25 118.90 3mgx h VAL 118 Ca 0.19 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3mgx h VAL 118 Cb 0.37 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3mgx h VAL 118 CO 0.00 0.11 0.22 -0.09 0.02 0.00 0.00 177.57 177.84 3mgx h ARG 119 N 0.62 0.55 -0.64 1.57 2.43 -1.27 -1.07 114.38 116.58 3mgx h ARG 119 Ca 0.20 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3mgx h ARG 119 Cb 0.00 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3mgx h ARG 119 CO -0.08 0.44 0.21 0.82 -1.51 0.00 0.00 179.97 179.84 3mgx h ILE 120 N 0.51 1.25 -0.33 1.20 1.08 -0.96 -0.98 117.51 119.29 3mgx h ILE 120 Ca 0.14 -0.84 -0.14 0.00 -0.39 0.00 0.00 64.86 63.64 3mgx h ILE 120 Cb 0.04 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 3mgx h ILE 120 CO -0.02 0.32 -0.35 -0.08 -0.69 0.00 0.00 178.15 177.33 3mgx h GLU 121 N 0.92 0.74 -0.40 2.37 4.57 -0.46 -0.21 114.58 122.10 3mgx h GLU 121 Ca 0.21 -0.36 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 3mgx h GLU 121 Cb 0.28 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3mgx h GLU 121 CO -0.01 0.97 -0.14 0.28 -1.18 0.00 0.00 179.01 178.93 3mgx h VAL 122 N 0.62 1.28 -0.85 0.32 2.07 -1.13 -2.28 116.25 116.26 3mgx h VAL 122 Ca 0.06 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 3mgx h VAL 122 Cb 0.88 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3mgx h VAL 122 CO 0.08 0.42 0.44 1.23 0.02 0.00 0.00 177.57 179.76 3mgx h GLY 123 N 0.62 1.30 1.78 2.17 0.00 -0.95 0.27 103.07 108.26 3mgx h GLY 123 Ca 0.10 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 3mgx h GLY 123 CO 0.05 0.59 -0.45 -0.55 0.00 0.00 0.00 176.54 176.18 3mgx h ASP 124 N 1.21 0.26 -0.20 0.19 3.45 -1.03 -3.08 116.42 117.21 3mgx h ASP 124 Ca 0.30 -0.12 -0.06 0.00 0.43 0.00 0.00 57.03 57.57 3mgx h ASP 124 Cb 0.08 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3mgx h ASP 124 CO -0.04 0.68 -0.13 0.58 -1.57 0.00 0.00 179.24 178.76 3mgx h VAL 125 N 0.20 1.31 0.00 -1.35 2.07 -0.95 -3.09 116.25 114.45 3mgx h VAL 125 Ca 0.01 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3mgx h VAL 125 Cb 0.88 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3mgx h VAL 125 CO 0.07 0.37 0.00 0.18 0.02 0.00 0.00 177.57 178.21 3mgx n LEU 126 N -4.52 0.76 -0.01 2.57 4.77 0.04 -2.21 117.00 118.41 3mgx n LEU 126 Ca -0.05 -0.38 0.09 0.00 -0.03 0.00 0.00 56.01 55.64 3mgx n LEU 126 Cb 0.35 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 3mgx n LEU 126 CO 0.40 0.17 -0.58 0.61 -1.33 0.00 0.00 177.39 176.66 3mgx n GLY 127 N 0.23 -0.85 0.00 -0.72 0.00 -1.17 -4.15 105.19 98.53 3mgx n GLY 127 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3mgx n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgx n ARG 128 N -2.01 3.19 -0.00 1.61 1.74 -0.94 -4.71 116.66 115.54 3mgx n ARG 128 Ca -0.02 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.15 3mgx n ARG 128 Cb 0.46 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.46 31.06 3mgx n ARG 128 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3mgx n VAL 129 N -1.14 0.00 0.64 1.55 0.24 -1.13 -4.39 118.33 114.10 3mgx n VAL 129 Ca 0.00 -0.10 0.06 0.00 -2.04 0.00 0.00 64.34 62.26 3mgx n VAL 129 Cb 0.00 0.90 0.32 0.00 -1.47 0.00 0.00 33.84 33.59 3mgx n VAL 129 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3mgx n LEU 130 N -1.52 0.00 -4.73 1.34 7.94 -1.26 -4.48 117.00 114.29 3mgx n LEU 130 Ca 0.03 0.18 -0.29 0.00 -1.11 0.00 0.00 56.01 54.81 3mgx n LEU 130 Cb 0.31 -0.18 0.14 0.00 0.53 0.00 0.00 43.42 44.23 3mgx n LEU 130 CO 0.38 -0.11 0.67 -1.81 -1.11 0.00 0.00 177.39 175.42 3mgx s ASP 131 N -2.35 3.37 0.07 1.96 1.01 -1.26 -4.53 116.67 114.95 3mgx s ASP 131 Ca 0.14 1.27 -0.37 0.00 0.71 0.00 0.00 52.55 54.30 3mgx s ASP 131 Cb 0.08 -1.94 -0.19 0.00 1.01 0.00 0.00 42.92 41.89 3mgx s ASP 131 CO 0.17 -2.67 1.57 1.23 0.21 0.00 0.00 175.17 175.67 3mgx h GLY 132 N -1.57 -1.32 -4.82 0.21 0.00 -1.84 -3.39 103.07 90.34 3mgx h GLY 132 Ca -0.51 0.56 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 3mgx h GLY 132 CO 0.58 -0.43 -0.33 -0.54 0.00 0.00 0.00 176.54 175.82 3mgx s GLU 133 N -5.93 0.54 0.06 4.80 2.02 -1.26 -3.91 118.70 115.02 3mgx s GLU 133 Ca -0.19 0.01 -0.09 0.00 0.02 0.00 0.00 54.97 54.72 3mgx s GLU 133 Cb 0.03 0.24 -0.00 0.00 0.10 0.00 0.00 34.13 34.51 3mgx s GLU 133 CO 0.60 -0.13 0.18 0.54 0.02 0.00 0.00 175.26 176.48 3mgx s VAL 134 N -0.81 0.13 -0.04 2.63 0.11 -1.26 -5.14 120.40 116.01 3mgx s VAL 134 Ca -0.09 -1.06 -0.07 0.00 -2.93 0.00 0.00 61.98 57.83 3mgx s VAL 134 Cb -0.04 -1.13 0.01 0.00 -1.53 0.00 0.00 36.38 33.69 3mgx s VAL 134 CO 0.03 -0.58 0.17 0.00 -3.33 0.00 0.00 175.10 171.38 3mgx s ASP 136 N -0.39 7.40 0.18 0.00 3.68 -1.26 -2.07 116.67 124.20 3mgx s ASP 136 Ca -0.05 1.68 0.21 0.00 2.13 0.00 0.00 52.55 56.52 3mgx s ASP 136 Cb -0.03 -2.55 -0.02 0.00 -1.45 0.00 0.00 42.92 38.87 3mgx s ASP 136 CO 0.01 -0.04 1.01 0.00 0.13 0.00 0.00 175.17 176.28 3mgx h ALA 137 N 5.60 0.56 0.00 3.66 0.00 -0.96 -3.32 119.26 124.80 3mgx h ALA 137 Ca -0.43 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3mgx h ALA 137 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3mgx h ALA 137 CO 0.71 0.24 0.00 0.00 0.00 0.00 0.00 179.25 180.20 3mgx h ALA 138 N 1.85 1.00 -3.94 0.00 0.00 -1.88 -1.31 119.26 114.97 3mgx h ALA 138 Ca -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.41 3mgx h ALA 138 Cb 1.15 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.68 3mgx h ALA 138 CO 0.01 0.00 -0.80 0.95 0.00 0.00 0.00 179.25 179.41 3mgx s THR 139 N -3.29 1.12 0.00 0.00 -4.23 -1.25 -4.37 115.64 103.62 3mgx s THR 139 Ca 0.06 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3mgx s THR 139 Cb 0.09 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.95 3mgx s THR 139 CO 0.54 0.13 0.00 0.00 -0.54 0.00 0.00 174.62 174.75 3mgx n ALA 140 N 2.23 0.00 0.04 3.99 0.00 -1.26 -4.59 120.51 120.93 3mgx n ALA 140 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3mgx n ALA 140 Cb 0.55 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3mgx n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3mgx n ILE 141 N -2.08 0.34 0.14 0.00 2.08 -1.26 -4.77 119.36 113.81 3mgx n ILE 141 Ca 0.00 0.11 -0.14 0.00 0.56 0.00 0.00 62.75 63.28 3mgx n ILE 141 Cb 0.25 -0.84 -0.08 0.00 -0.75 0.00 0.00 39.64 38.23 3mgx n ILE 141 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3mgx h GLY 142 N 0.00 -0.29 2.00 7.39 0.00 -1.47 -3.24 103.07 107.45 3mgx h GLY 142 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3mgx h GLY 142 CO 0.00 -0.11 -0.11 -0.56 0.00 0.00 0.00 176.54 175.76 3mgx h PRO 143 N -0.29 0.00 -0.20 4.80 0.13 -1.77 -3.35 132.00 131.32 3mgx h PRO 143 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3mgx h PRO 143 Cb 0.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 3mgx h PRO 143 CO 0.05 0.11 0.11 -0.09 -0.23 0.00 0.00 178.00 177.95 3mgx h ARG 144 N 0.00 0.29 0.14 0.86 9.65 -1.86 -2.81 114.38 120.65 3mgx h ARG 144 Ca -0.00 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3mgx h ARG 144 Cb 0.94 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 3mgx h ARG 144 CO 0.01 0.28 -0.07 0.82 2.80 0.00 0.00 179.97 183.81 3mgx h ILE 145 N 0.22 0.98 -0.34 1.20 1.08 -1.69 -2.50 117.51 116.45 3mgx h ILE 145 Ca 0.07 -0.53 -0.03 0.00 -0.39 0.00 0.00 64.86 63.98 3mgx h ILE 145 Cb 0.08 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 3mgx h ILE 145 CO -0.01 0.12 0.08 -0.65 -0.69 0.00 0.00 178.15 177.00 3mgx h PRO 146 N -0.44 0.50 -0.59 2.37 0.11 -1.75 -2.62 132.00 129.59 3mgx h PRO 146 Ca -0.02 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 3mgx h PRO 146 Cb 0.35 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3mgx h PRO 146 CO 0.03 0.47 -0.01 0.00 -0.21 0.00 0.00 178.00 178.28 3mgx h ALA 147 N 1.59 0.79 -0.66 -0.75 0.00 -1.43 -1.60 119.26 117.20 3mgx h ALA 147 Ca 0.12 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3mgx h ALA 147 Cb 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3mgx h ALA 147 CO -0.00 0.64 0.13 0.00 0.00 0.00 0.00 179.25 180.01 3mgx h ALA 148 N 0.97 0.88 -0.19 0.00 0.00 -1.23 -1.63 119.26 118.07 3mgx h ALA 148 Ca 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3mgx h ALA 148 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3mgx h ALA 148 CO 0.03 0.63 -0.04 0.28 0.00 0.00 0.00 179.25 180.15 3mgx h VAL 149 N 1.01 1.28 -0.69 0.00 2.07 -1.34 -2.84 116.25 115.74 3mgx h VAL 149 Ca 0.20 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3mgx h VAL 149 Cb 0.41 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3mgx h VAL 149 CO 0.01 0.30 0.38 0.58 0.02 0.00 0.00 177.57 178.86 3mgx h VAL 150 N 0.08 1.20 -0.49 2.57 2.07 -1.25 -1.88 116.25 118.55 3mgx h VAL 150 Ca 0.05 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.13 3mgx h VAL 150 Cb 0.48 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3mgx h VAL 150 CO 0.02 0.22 0.20 0.00 0.02 0.00 0.00 177.57 178.03 3mgx h GLU 152 N 0.39 0.00 -0.08 0.00 5.08 -1.20 -1.87 114.58 116.90 3mgx h GLU 152 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3mgx h GLU 152 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3mgx h GLU 152 CO -0.22 0.51 0.00 0.82 -1.00 0.00 0.00 179.01 179.13 3mgx h ILE 153 N 0.00 1.24 0.00 3.13 1.08 -1.03 -2.93 117.51 119.00 3mgx h ILE 153 Ca -0.01 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 3mgx h ILE 153 Cb 1.05 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.38 3mgx h ILE 153 CO 0.07 0.20 0.00 -0.07 -0.69 0.00 0.00 178.15 177.66 3mgx h LEU 154 N -0.14 0.00 -0.75 1.44 3.38 -1.22 -1.84 115.31 116.18 3mgx h LEU 154 Ca 0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 3mgx h LEU 154 Cb 0.32 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.13 3mgx h LEU 154 CO 0.00 0.00 -0.32 0.61 0.09 0.00 0.00 178.44 178.83 3mgx n GLY 155 N -0.14 0.23 3.76 0.83 0.00 -0.80 -3.98 105.19 105.09 3mgx n GLY 155 Ca 0.01 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3mgx n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mgx s VAL 156 N -3.10 3.50 0.41 1.61 -7.23 -0.77 -4.99 120.40 109.82 3mgx s VAL 156 Ca 0.26 1.50 -0.26 0.00 -1.81 0.00 0.00 61.98 61.67 3mgx s VAL 156 Cb -0.11 -3.95 -0.10 0.00 0.56 0.00 0.00 36.38 32.77 3mgx s VAL 156 CO 0.32 0.35 1.28 -2.65 -0.31 0.00 0.00 175.10 174.09 3mgx n PRO 157 N 1.25 1.98 0.21 4.82 -0.02 -1.26 -4.84 135.00 137.15 3mgx n PRO 157 Ca -0.01 0.70 0.14 0.00 -2.02 0.00 0.00 63.50 62.31 3mgx n PRO 157 Cb 0.45 -2.38 0.75 0.00 -0.02 0.00 0.00 33.50 32.29 3mgx n PRO 157 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mgx h ALA 158 N 2.18 1.94 -0.12 3.55 0.00 -1.99 -1.59 119.26 123.24 3mgx h ALA 158 Ca -0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3mgx h ALA 158 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3mgx h ALA 158 CO 0.60 -0.18 -0.07 0.93 0.00 0.00 0.00 179.25 180.53 3mgx h GLU 159 N 0.00 0.17 -0.02 0.00 3.07 -2.04 -2.98 114.58 112.78 3mgx h GLU 159 Ca 0.06 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3mgx h GLU 159 Cb 0.29 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3mgx h GLU 159 CO -0.00 0.26 -0.10 -0.25 -1.40 0.00 0.00 179.01 177.51 3mgx n ASP 160 N -4.36 2.51 0.04 1.42 8.00 -0.61 -4.63 116.55 118.92 3mgx n ASP 160 Ca -0.01 -1.75 -0.11 0.00 0.71 0.00 0.00 54.79 53.62 3mgx n ASP 160 Cb 0.20 0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.36 3mgx n ASP 160 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3mgx h GLU 161 N 3.59 -0.05 -0.57 -1.24 5.08 -1.36 -1.92 114.58 118.12 3mgx h GLU 161 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3mgx h GLU 161 Cb 0.81 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 3mgx h GLU 161 CO 0.00 -0.03 0.38 -0.44 -1.00 0.00 0.00 179.01 177.91 3mgx h ASP 162 N -0.05 0.64 -0.34 1.42 3.45 -1.82 0.28 116.42 119.99 3mgx h ASP 162 Ca 0.02 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.43 3mgx h ASP 162 Cb 0.08 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 3mgx h ASP 162 CO -0.05 0.46 0.06 -0.03 -1.57 0.00 0.00 179.24 178.11 3mgx h MET 163 N 0.75 0.57 -0.07 3.56 4.05 -1.82 -2.95 114.93 119.01 3mgx h MET 163 Ca 0.21 -0.15 -0.15 0.00 -0.28 0.00 0.00 59.70 59.33 3mgx h MET 163 Cb -0.07 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 3mgx h MET 163 CO -0.05 0.64 -0.63 -0.07 0.23 0.00 0.00 176.91 177.04 3mgx h LEU 164 N 0.40 0.31 0.06 3.39 3.38 -0.44 -2.69 115.31 119.72 3mgx h LEU 164 Ca 0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3mgx h LEU 164 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3mgx h LEU 164 CO 0.01 0.86 -0.03 0.40 0.09 0.00 0.00 178.44 179.77 3mgx h ILE 165 N 0.20 0.99 -0.72 1.22 1.08 -0.54 -1.09 117.51 118.65 3mgx h ILE 165 Ca -0.01 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 3mgx h ILE 165 Cb 1.15 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.96 3mgx h ILE 165 CO 0.10 0.04 0.45 0.44 -0.69 0.00 0.00 178.15 178.49 3mgx h ASP 166 N -0.15 0.86 -0.18 1.72 3.32 -1.50 0.74 116.42 121.23 3mgx h ASP 166 Ca -0.01 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 3mgx h ASP 166 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3mgx h ASP 166 CO 0.01 0.66 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.75 3mgx h LEU 167 N 0.98 0.75 -0.47 1.55 3.38 -1.46 -2.64 115.31 117.40 3mgx h LEU 167 Ca 0.26 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3mgx h LEU 167 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3mgx h LEU 167 CO -0.05 1.04 0.02 0.74 0.09 0.00 0.00 178.44 180.28 3mgx h THR 168 N 0.58 1.26 -0.59 0.22 2.02 -0.85 -1.34 112.91 114.23 3mgx h THR 168 Ca 0.05 -1.03 0.09 0.00 0.77 0.00 0.00 66.41 66.30 3mgx h THR 168 Cb 0.91 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 68.24 3mgx h THR 168 CO 0.08 0.36 0.22 0.78 0.37 0.00 0.00 175.52 177.32 3mgx h ASN 169 N 0.68 0.21 1.10 4.18 4.21 -0.75 -2.85 115.58 122.35 3mgx h ASN 169 Ca 0.14 0.07 -0.18 0.00 1.21 0.00 0.00 56.30 57.54 3mgx h ASN 169 Cb 0.48 0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.71 3mgx h ASN 169 CO 0.02 0.13 -0.86 -0.74 -1.29 0.00 0.00 177.43 174.69 3mgx h HIS 170 N 0.40 0.00 0.00 1.19 2.76 -1.41 -3.15 115.15 114.94 3mgx h HIS 170 Ca 0.29 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.42 3mgx h HIS 170 Cb 0.35 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 3mgx h HIS 170 CO -0.17 0.86 -0.20 0.00 -1.30 0.00 0.00 177.93 177.12 3mgx h ALA 171 N 1.14 1.40 0.00 5.26 0.00 -1.00 -3.15 119.26 122.92 3mgx h ALA 171 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3mgx h ALA 171 Cb 1.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3mgx h ALA 171 CO 0.11 0.25 -0.10 1.19 0.00 0.00 0.00 179.25 180.70 3mgx n PHE 172 N -3.92 0.00 -0.94 0.00 3.01 -1.20 -4.70 117.46 109.72 3mgx n PHE 172 Ca -0.02 -0.71 0.00 0.00 1.01 0.00 0.00 57.45 57.73 3mgx n PHE 172 Cb 0.29 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 3mgx n PHE 172 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mgx n GLY 173 N -1.01 2.19 3.74 1.37 0.00 -1.19 -4.93 105.19 105.38 3mgx n GLY 173 Ca 0.11 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3mgx n GLY 173 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mgx s GLY 174 N 0.00 1.99 0.33 -0.02 0.00 -1.26 -4.92 107.32 103.43 3mgx s GLY 174 Ca 0.00 1.55 0.08 0.00 0.00 0.00 0.00 44.72 46.35 3mgx s GLY 174 CO 0.00 2.58 1.76 0.83 0.00 0.00 0.00 173.10 178.27 3mgx h GLU 175 N 5.18 0.18 -2.94 2.90 5.08 -1.97 -3.44 114.58 119.58 3mgx h GLU 175 Ca -0.46 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 57.61 3mgx h GLU 175 Cb 1.22 -0.01 -0.32 0.00 0.50 0.00 0.00 28.75 30.14 3mgx h GLU 175 CO 0.82 0.52 -0.52 0.16 -1.00 0.00 0.00 179.01 178.99 3mgx s ASP 176 N -6.89 0.13 -0.99 1.42 -4.77 -1.26 -4.56 116.67 99.76 3mgx s ASP 176 Ca -0.04 0.55 -0.01 0.00 -3.30 0.00 0.00 52.55 49.76 3mgx s ASP 176 Cb 0.14 0.56 0.32 0.00 -1.09 0.00 0.00 42.92 42.85 3mgx s ASP 176 CO 0.75 -0.21 1.74 0.61 0.70 0.00 0.00 175.17 178.76 3mgx n GLY 181 N 4.91 6.07 3.90 2.12 0.00 -1.26 -5.17 105.19 115.76 3mgx n GLY 181 Ca -0.14 -2.60 -0.33 0.00 0.00 0.00 0.00 46.02 42.95 3mgx n GLY 181 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mgx s MET 182 N -4.22 3.56 0.06 1.61 1.00 -1.26 -5.11 119.30 114.94 3mgx s MET 182 Ca 0.40 -0.16 -0.10 0.00 0.00 0.00 0.00 55.69 55.82 3mgx s MET 182 Cb 0.19 -3.01 -0.06 0.00 0.00 0.00 0.00 34.83 31.96 3mgx s MET 182 CO -0.12 0.59 0.38 0.99 0.00 0.00 0.00 175.02 176.86 3mgx s THR 183 N -1.44 5.12 0.40 2.05 2.01 -1.26 -4.97 115.64 117.55 3mgx s THR 183 Ca 0.33 0.46 0.19 0.00 0.31 0.00 0.00 61.69 62.99 3mgx s THR 183 Cb -0.13 -3.64 0.40 0.00 0.01 0.00 0.00 72.50 69.14 3mgx s THR 183 CO 0.21 0.34 1.76 -0.65 -0.69 0.00 0.00 174.62 175.59 3mgx h PRO 184 N 3.90 0.35 -0.23 4.92 0.11 -1.80 0.15 132.00 139.40 3mgx h PRO 184 Ca -0.50 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 3mgx h PRO 184 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3mgx h PRO 184 CO 0.66 0.23 -0.52 -0.09 -0.21 0.00 0.00 178.00 178.06 3mgx h ARG 185 N 0.36 0.65 -0.41 1.05 2.43 -1.88 -1.69 114.38 114.89 3mgx h ARG 185 Ca 0.61 -0.40 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3mgx h ARG 185 Cb 1.60 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.18 3mgx h ARG 185 CO -0.31 1.01 -0.21 1.96 -1.51 0.00 0.00 179.97 180.91 3mgx h GLN 186 N 0.51 0.88 -0.56 0.20 4.20 -1.43 -2.22 115.11 116.69 3mgx h GLN 186 Ca 0.02 -0.39 -0.06 0.00 0.06 0.00 0.00 58.65 58.27 3mgx h GLN 186 Cb 1.08 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3mgx h GLN 186 CO 0.10 1.04 0.09 0.00 -0.67 0.00 0.00 178.83 179.39 3mgx h ALA 187 N 0.82 1.11 -0.59 3.87 0.00 -0.76 -1.35 119.26 122.36 3mgx h ALA 187 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3mgx h ALA 187 Cb 0.78 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3mgx h ALA 187 CO 0.06 0.58 0.29 1.25 0.00 0.00 0.00 179.25 181.44 3mgx h HIS 188 N 0.85 0.84 -0.55 0.00 6.17 -1.24 -2.65 115.15 118.58 3mgx h HIS 188 Ca 0.18 -0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 3mgx h HIS 188 Cb 0.37 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 30.01 3mgx h HIS 188 CO 0.02 0.64 0.25 1.15 0.71 0.00 0.00 177.93 180.70 3mgx h THR 189 N 0.80 1.21 -0.68 6.26 2.02 -1.00 -2.43 112.91 119.09 3mgx h THR 189 Ca 0.20 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.78 3mgx h THR 189 Cb 0.10 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3mgx h THR 189 CO -0.03 0.24 0.45 -0.33 0.37 0.00 0.00 175.52 176.23 3mgx h GLU 190 N 0.74 0.88 -0.32 6.66 4.39 -1.12 0.83 114.58 126.64 3mgx h GLU 190 Ca 0.19 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 3mgx h GLU 190 Cb 0.15 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3mgx h GLU 190 CO -0.02 0.58 0.06 0.82 -1.16 0.00 0.00 179.01 179.28 3mgx h ILE 191 N 0.90 1.23 -0.25 3.13 1.08 -1.25 -1.73 117.51 120.62 3mgx h ILE 191 Ca 0.25 -0.80 -0.07 0.00 -0.39 0.00 0.00 64.86 63.86 3mgx h ILE 191 Cb -0.07 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3mgx h ILE 191 CO -0.06 0.26 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.46 3mgx h LEU 192 N 0.35 0.41 -0.57 1.44 3.38 -0.89 0.31 115.31 119.75 3mgx h LEU 192 Ca 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3mgx h LEU 192 Cb 0.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3mgx h LEU 192 CO 0.01 0.58 0.17 0.58 0.09 0.00 0.00 178.44 179.86 3mgx h VAL 193 N 0.40 1.24 -0.64 1.22 2.07 -0.77 -1.51 116.25 118.26 3mgx h VAL 193 Ca 0.07 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 3mgx h VAL 193 Cb 0.48 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3mgx h VAL 193 CO 0.03 0.31 0.10 0.22 0.02 0.00 0.00 177.57 178.25 3mgx h TYR 194 N 0.80 1.13 -0.54 1.57 3.20 -0.64 -2.67 116.97 119.83 3mgx h TYR 194 Ca 0.18 -0.16 0.07 0.00 3.14 0.00 0.00 58.73 61.96 3mgx h TYR 194 Cb 0.30 -0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.20 3mgx h TYR 194 CO 0.02 0.96 0.22 0.74 -1.64 0.00 0.00 178.16 178.46 3mgx h PHE 195 N 0.98 0.39 -0.77 -3.82 0.04 -0.13 0.15 116.94 113.78 3mgx h PHE 195 Ca 0.19 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.99 3mgx h PHE 195 Cb 0.44 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3mgx h PHE 195 CO 0.03 0.14 0.50 0.22 -0.60 0.00 0.00 178.31 178.61 3mgx h ASP 196 N 0.42 0.90 -0.13 2.17 1.82 -1.17 0.36 116.42 120.79 3mgx h ASP 196 Ca 0.26 -0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.78 3mgx h ASP 196 Cb 0.25 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 3mgx h ASP 196 CO -0.24 0.66 -0.17 -0.33 -1.61 0.00 0.00 179.24 177.56 3mgx h GLU 197 N 1.05 0.52 -0.08 0.28 5.08 -1.04 -2.22 114.58 118.17 3mgx h GLU 197 Ca 0.28 -0.17 -0.22 0.00 -1.00 0.00 0.00 59.36 58.25 3mgx h GLU 197 Cb -0.10 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.11 3mgx h GLU 197 CO -0.06 0.68 -0.83 1.25 -1.00 0.00 0.00 179.01 179.04 3mgx h LEU 198 N 0.48 0.73 -0.60 1.33 5.85 -0.03 -2.91 115.31 120.16 3mgx h LEU 198 Ca 0.08 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3mgx h LEU 198 Cb 0.57 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3mgx h LEU 198 CO 0.04 1.29 0.38 0.40 -0.34 0.00 0.00 178.44 180.21 3mgx h ILE 199 N 0.39 1.16 -0.65 4.05 2.04 -0.17 -1.69 117.51 122.64 3mgx h ILE 199 Ca -0.06 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3mgx h ILE 199 Cb 1.45 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3mgx h ILE 199 CO 0.16 0.16 0.37 0.74 0.00 0.00 0.00 178.15 179.58 3mgx h THR 200 N 0.81 1.20 -0.03 -0.27 2.02 -1.41 -2.05 112.91 113.18 3mgx h THR 200 Ca 0.22 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.79 3mgx h THR 200 Cb -0.06 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3mgx h THR 200 CO -0.04 0.22 -0.54 0.00 0.37 0.00 0.00 175.52 175.52 3mgx h ALA 201 N 1.18 1.04 0.00 6.16 0.00 -1.33 -3.03 119.26 123.28 3mgx h ALA 201 Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mgx h ALA 201 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mgx h ALA 201 CO -0.04 0.68 -0.22 0.54 0.00 0.00 0.00 179.25 180.22 3mgx n ARG 202 N -3.90 0.24 -0.06 0.00 5.12 -0.65 -1.63 116.66 115.77 3mgx n ARG 202 Ca -0.02 0.15 -0.15 0.00 -1.93 0.00 0.00 57.85 55.90 3mgx n ARG 202 Cb 0.56 -1.73 -0.06 0.00 -1.16 0.00 0.00 32.46 30.07 3mgx n ARG 202 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mgx h ARG 203 N 0.00 0.67 -0.02 5.56 2.47 -1.25 -2.95 114.38 118.86 3mgx h ARG 203 Ca 0.00 -0.44 -0.15 0.00 -1.26 0.00 0.00 59.98 58.14 3mgx h ARG 203 Cb 0.71 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.10 3mgx h ARG 203 CO 0.00 1.06 -0.56 -0.22 0.56 0.00 0.00 179.97 180.81 3mgx h LYS 204 N 0.37 0.41 -3.00 0.04 3.64 -1.55 -3.42 116.57 113.05 3mgx h LYS 204 Ca 0.01 -0.42 -0.61 0.00 -1.27 0.00 0.00 60.65 58.36 3mgx h LYS 204 Cb 1.04 0.11 -0.40 0.00 -0.41 0.00 0.00 32.23 32.57 3mgx h LYS 204 CO 0.10 1.08 -0.75 -2.00 -2.27 0.00 0.00 179.45 175.61 3mgx s GLU 205 N -3.30 1.19 0.46 1.90 2.12 -0.64 -5.12 118.70 115.30 3mgx s GLU 205 Ca -0.13 -1.88 -0.21 0.00 0.36 0.00 0.00 54.97 53.10 3mgx s GLU 205 Cb 0.04 -2.23 -0.09 0.00 0.26 0.00 0.00 34.13 32.10 3mgx s GLU 205 CO 0.82 -1.15 1.02 -2.14 -0.54 0.00 0.00 175.26 173.26 3mgx s PRO 206 N 0.50 3.96 0.00 4.30 0.02 -1.11 -4.31 135.00 138.37 3mgx s PRO 206 Ca 0.17 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.51 3mgx s PRO 206 Cb -0.24 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.10 3mgx s PRO 206 CO -0.01 -0.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 3mgx n GLY 207 N -0.25 5.38 2.86 0.52 0.00 -1.26 -5.09 105.19 107.34 3mgx n GLY 207 Ca 0.08 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 3mgx n GLY 207 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mgx n ASP 208 N 0.00 3.94 -3.22 1.61 4.64 -1.26 -4.78 116.55 117.49 3mgx n ASP 208 Ca 0.00 -3.26 -0.12 0.00 -1.38 0.00 0.00 54.79 50.03 3mgx n ASP 208 Cb 0.00 -0.89 -0.02 0.00 -1.04 0.00 0.00 41.12 39.18 3mgx n ASP 208 CO 0.00 0.00 0.00 1.51 -0.82 0.00 0.00 177.20 177.89 3mgx s ASP 209 N -1.30 0.42 0.11 1.67 -4.77 -1.26 -4.91 116.67 106.63 3mgx s ASP 209 Ca 0.30 -1.27 -0.17 0.00 -3.30 0.00 0.00 52.55 48.12 3mgx s ASP 209 Cb 0.01 0.73 -0.04 0.00 -1.09 0.00 0.00 42.92 42.52 3mgx s ASP 209 CO -0.09 -1.44 1.57 0.25 0.70 0.00 0.00 175.17 176.16 3mgx h LEU 210 N 2.08 0.55 -0.45 2.11 5.85 -1.49 -1.88 115.31 122.07 3mgx h LEU 210 Ca -0.29 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 3mgx h LEU 210 Cb 1.25 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3mgx h LEU 210 CO 0.38 0.69 0.26 0.58 -0.34 0.00 0.00 178.44 180.01 3mgx h VAL 211 N 0.39 1.15 -0.69 1.05 2.07 -1.83 -1.82 116.25 116.57 3mgx h VAL 211 Ca 0.10 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3mgx h VAL 211 Cb 0.38 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3mgx h VAL 211 CO 0.01 0.15 0.39 0.28 0.02 0.00 0.00 177.57 178.42 3mgx h SER 212 N 0.59 0.86 -0.36 0.57 0.02 -1.86 -1.50 113.55 111.87 3mgx h SER 212 Ca 0.16 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3mgx h SER 212 Cb 0.02 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3mgx h SER 212 CO -0.03 0.70 -0.00 0.74 -1.14 0.00 0.00 176.83 177.09 3mgx h THR 213 N 0.95 1.23 -0.01 -2.27 2.02 -1.15 -2.63 112.91 111.05 3mgx h THR 213 Ca 0.24 -0.97 -0.22 0.00 0.77 0.00 0.00 66.41 66.24 3mgx h THR 213 Cb 0.02 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3mgx h THR 213 CO -0.04 0.34 -0.91 -0.07 0.37 0.00 0.00 175.52 175.21 3mgx h LEU 214 N 0.69 0.47 0.00 2.58 4.07 -1.02 -3.32 115.31 118.77 3mgx h LEU 214 Ca 0.14 -0.37 -0.11 0.00 0.08 0.00 0.00 57.88 57.61 3mgx h LEU 214 Cb 0.43 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 3mgx h LEU 214 CO 0.02 1.17 -0.64 -0.37 -1.08 0.00 0.00 178.44 177.54 3mgx h VAL 215 N 0.21 0.76 0.00 1.22 -1.51 -1.24 -3.27 116.25 112.43 3mgx h VAL 215 Ca -0.07 -2.12 -0.07 0.00 -1.23 0.00 0.00 66.70 63.21 3mgx h VAL 215 Cb 1.54 2.33 -0.01 0.00 -2.13 0.00 0.00 31.29 33.01 3mgx h VAL 215 CO 0.15 0.43 -0.34 0.71 -1.23 0.00 0.00 177.57 177.30 3mgx h THR 216 N 0.00 1.15 -2.76 7.19 1.35 -1.57 -3.39 112.91 114.87 3mgx h THR 216 Ca -0.03 -1.20 -0.55 0.00 -0.55 0.00 0.00 66.41 64.08 3mgx h THR 216 Cb 1.39 1.66 -0.05 0.00 -1.73 0.00 0.00 68.15 69.43 3mgx h THR 216 CO 0.06 0.33 1.16 -0.62 -0.25 0.00 0.00 175.52 176.20 3mgx s ASP 217 N -6.80 6.01 0.19 5.36 -1.08 -1.23 -4.87 116.67 114.24 3mgx s ASP 217 Ca -0.03 0.54 0.24 0.00 -0.52 0.00 0.00 52.55 52.78 3mgx s ASP 217 Cb 0.14 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.97 3mgx s ASP 217 CO 0.70 -1.76 1.72 -0.90 0.52 0.00 0.00 175.17 175.46 3mgx n ASP 218 N 10.00 0.58 0.14 -0.34 3.85 -1.26 -2.67 116.55 126.85 3mgx n ASP 218 Ca 0.16 0.61 0.01 0.00 -0.71 0.00 0.00 54.79 54.86 3mgx n ASP 218 Cb 0.49 -0.74 0.15 0.00 -1.35 0.00 0.00 41.12 39.67 3mgx n ASP 218 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 3mgx h ASP 219 N 0.00 0.00 -3.40 -1.12 3.58 -1.95 -3.44 116.42 110.10 3mgx h ASP 219 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 3mgx h ASP 219 Cb 0.47 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 3mgx h ASP 219 CO 0.00 0.56 0.22 -0.76 -2.88 0.00 0.00 179.24 176.39 3mgx s LEU 220 N -6.96 4.36 0.83 2.28 1.02 -1.09 -5.07 118.68 114.05 3mgx s LEU 220 Ca 0.01 1.43 -0.12 0.00 0.02 0.00 0.00 54.13 55.47 3mgx s LEU 220 Cb 0.10 -3.32 0.10 0.00 0.02 0.00 0.00 46.19 43.09 3mgx s LEU 220 CO 0.74 -0.16 1.19 0.42 0.02 0.00 0.00 176.35 178.56 3mgx s THR 221 N 0.77 2.00 0.50 5.49 -4.23 -1.26 -4.87 115.64 114.04 3mgx s THR 221 Ca 0.44 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.14 3mgx s THR 221 Cb -0.20 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 70.92 3mgx s THR 221 CO 0.23 0.00 2.11 -0.29 -0.54 0.00 0.00 174.62 176.14 3mgx h ILE 222 N -1.15 0.92 -0.14 2.99 2.10 -1.98 -1.84 117.51 118.42 3mgx h ILE 222 Ca -0.46 -0.23 -0.20 0.00 1.08 0.00 0.00 64.86 65.05 3mgx h ILE 222 Cb 1.32 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 3mgx h ILE 222 CO 0.63 0.06 -0.71 -0.78 -1.08 0.00 0.00 178.15 176.27 3mgx h ASP 223 N 0.00 0.73 -0.58 2.19 -0.00 -1.99 -2.35 116.42 114.42 3mgx h ASP 223 Ca -0.00 -0.46 -0.09 0.00 -0.00 0.00 0.00 57.03 56.48 3mgx h ASP 223 Cb 0.13 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.22 3mgx h ASP 223 CO 0.01 1.23 0.02 0.44 -0.00 0.00 0.00 179.24 180.94 3mgx h ASP 224 N 0.44 0.98 -0.26 2.28 3.32 -1.72 -1.18 116.42 120.28 3mgx h ASP 224 Ca -0.03 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 3mgx h ASP 224 Cb 1.31 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3mgx h ASP 224 CO 0.14 1.04 0.07 0.58 -1.72 0.00 0.00 179.24 179.34 3mgx h VAL 225 N 0.90 1.21 -0.60 -1.35 2.07 -1.41 -2.39 116.25 114.67 3mgx h VAL 225 Ca 0.17 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3mgx h VAL 225 Cb 0.52 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3mgx h VAL 225 CO 0.02 0.22 0.33 0.25 0.02 0.00 0.00 177.57 178.42 3mgx h LEU 226 N 0.25 0.75 -0.72 2.57 5.85 -1.31 -1.04 115.31 121.66 3mgx h LEU 226 Ca 0.08 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 3mgx h LEU 226 Cb 0.28 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3mgx h LEU 226 CO 0.00 0.62 -0.54 -0.07 -0.34 0.00 0.00 178.44 178.11 3mgx h LEU 227 N 0.81 0.30 0.00 2.25 4.07 -1.21 -1.56 115.31 119.98 3mgx h LEU 227 Ca 0.21 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 3mgx h LEU 227 Cb 0.04 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3mgx h LEU 227 CO -0.03 0.78 -0.69 0.78 -1.08 0.00 0.00 178.44 178.20 3mgx h ASN 228 N 0.21 0.00 -0.22 -0.43 2.35 -1.32 -0.58 115.58 115.60 3mgx h ASN 228 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 3mgx h ASN 228 Cb 1.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 3mgx h ASN 228 CO 0.09 0.40 -0.26 0.00 -1.65 0.00 0.00 177.43 176.00 3mgx h ASP 230 N 0.60 0.66 -0.98 0.00 3.58 -1.13 -1.45 116.42 117.71 3mgx h ASP 230 Ca 0.08 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.23 3mgx h ASP 230 Cb 0.76 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 3mgx h ASP 230 CO 0.06 1.00 0.63 -1.13 -2.88 0.00 0.00 179.24 176.92 3mgx h ASN 231 N 0.51 1.14 -0.03 2.28 -0.00 -1.06 0.13 115.58 118.56 3mgx h ASN 231 Ca 0.04 -0.04 -0.20 0.00 -0.00 0.00 0.00 56.30 56.10 3mgx h ASN 231 Cb 0.94 -0.29 0.00 0.00 -0.00 0.00 0.00 38.32 38.97 3mgx h ASN 231 CO 0.08 0.84 -0.69 0.58 -0.00 0.00 0.00 177.43 178.25 3mgx h VAL 232 N 1.34 1.31 0.24 2.57 2.07 -1.39 0.14 116.25 122.54 3mgx h VAL 232 Ca 0.36 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 3mgx h VAL 232 Cb -0.13 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3mgx h VAL 232 CO -0.07 0.61 -0.12 0.25 0.02 0.00 0.00 177.57 178.26 3mgx h LEU 233 N 0.47 -0.28 0.14 2.57 5.85 -0.82 -0.38 115.31 122.85 3mgx h LEU 233 Ca -0.03 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3mgx h LEU 233 Cb 1.28 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3mgx h LEU 233 CO 0.13 -0.13 -0.07 0.40 -0.34 0.00 0.00 178.44 178.44 3mgx h ILE 234 N -0.41 0.99 -0.62 4.05 2.04 -0.81 -2.99 117.51 119.77 3mgx h ILE 234 Ca -0.03 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.33 3mgx h ILE 234 Cb 0.31 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3mgx h ILE 234 CO 0.06 0.13 0.32 1.23 0.00 0.00 0.00 178.15 179.89 3mgx h GLY 235 N -0.45 0.90 1.89 5.37 0.00 -0.72 -0.56 103.07 109.50 3mgx h GLY 235 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3mgx h GLY 235 CO 0.03 0.11 -0.03 0.61 0.00 0.00 0.00 176.54 177.26 3mgx n GLY 236 N -1.28 -1.46 0.96 4.60 0.00 -0.16 -4.48 105.19 103.37 3mgx n GLY 236 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3mgx n GLY 236 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mgx n ASN 237 N -1.47 0.48 -0.38 1.61 3.02 -1.00 -4.49 115.26 113.04 3mgx n ASN 237 Ca 0.08 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3mgx n ASN 237 Cb 0.33 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.64 3mgx n ASN 237 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3mgx h GLU 238 N 0.00 1.25 0.02 3.52 4.81 -1.32 -2.91 114.58 119.95 3mgx h GLU 238 Ca 0.00 -0.08 -0.27 0.00 -0.13 0.00 0.00 59.36 58.89 3mgx h GLU 238 Cb 0.90 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 3mgx h GLU 238 CO 0.00 0.83 -1.46 0.25 -0.73 0.00 0.00 179.01 177.89 3mgx n THR 239 N -4.43 1.58 -0.35 0.32 -2.24 -1.26 -4.56 114.28 103.34 3mgx n THR 239 Ca 0.13 -0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 3mgx n THR 239 Cb 0.08 -1.98 0.22 0.00 -2.10 0.00 0.00 70.33 66.55 3mgx n THR 239 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3mgx h THR 240 N -0.80 1.03 -0.82 4.28 2.02 -1.78 -2.31 112.91 114.52 3mgx h THR 240 Ca -0.38 -0.37 0.12 0.00 0.77 0.00 0.00 66.41 66.55 3mgx h THR 240 Cb 1.45 -0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 3mgx h THR 240 CO -0.17 0.20 0.53 0.08 0.37 0.00 0.00 175.52 176.53 3mgx h ARG 241 N 1.07 0.64 0.00 6.66 0.11 -1.71 -1.44 114.38 119.72 3mgx h ARG 241 Ca 0.44 -0.04 -0.13 0.00 0.10 0.00 0.00 59.98 60.35 3mgx h ARG 241 Cb 0.29 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 3mgx h ARG 241 CO -0.19 0.42 -0.63 0.45 0.10 0.00 0.00 179.97 180.12 3mgx h HIS 242 N 0.66 0.00 -0.29 4.08 3.86 -1.68 -1.85 115.15 119.92 3mgx h HIS 242 Ca 0.40 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.45 3mgx h HIS 242 Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 3mgx h HIS 242 CO -0.00 0.61 -0.44 0.00 0.86 0.00 0.00 177.93 178.96 3mgx h ALA 243 N 1.39 0.68 -0.27 2.45 0.00 -1.26 0.11 119.26 122.36 3mgx h ALA 243 Ca -0.01 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3mgx h ALA 243 Cb 1.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3mgx h ALA 243 CO 0.08 0.67 -0.06 0.82 0.00 0.00 0.00 179.25 180.76 3mgx h ILE 244 N 0.59 1.28 -0.72 0.00 1.08 -1.26 -0.62 117.51 117.86 3mgx h ILE 244 Ca 0.04 -1.07 -0.02 0.00 -0.39 0.00 0.00 64.86 63.43 3mgx h ILE 244 Cb 0.99 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 36.14 3mgx h ILE 244 CO 0.09 0.34 0.38 0.74 -0.69 0.00 0.00 178.15 179.01 3mgx h THR 245 N 0.26 1.22 -0.41 -0.27 2.02 -1.33 -2.19 112.91 112.21 3mgx h THR 245 Ca 0.07 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 3mgx h THR 245 Cb 0.53 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3mgx h THR 245 CO 0.03 0.25 0.03 1.23 0.37 0.00 0.00 175.52 177.42 3mgx h GLY 246 N 1.06 0.69 1.03 2.16 0.00 -0.59 -0.25 103.07 107.17 3mgx h GLY 246 Ca 0.25 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 3mgx h GLY 246 CO -0.04 0.39 0.09 0.00 0.00 0.00 0.00 176.54 176.98 3mgx h ALA 247 N 1.42 0.78 -0.59 3.60 0.00 -0.51 0.14 119.26 124.10 3mgx h ALA 247 Ca 0.13 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3mgx h ALA 247 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3mgx h ALA 247 CO 0.01 0.54 0.06 0.28 0.00 0.00 0.00 179.25 180.14 3mgx h VAL 248 N 0.88 1.26 -0.86 0.00 2.07 -1.22 -2.02 116.25 116.35 3mgx h VAL 248 Ca 0.18 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 3mgx h VAL 248 Cb 0.43 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3mgx h VAL 248 CO 0.01 0.38 0.45 -0.74 0.02 0.00 0.00 177.57 177.69 3mgx h HIS 249 N 0.90 1.21 -0.40 1.57 6.17 -0.72 -1.58 115.15 122.30 3mgx h HIS 249 Ca 0.18 -0.04 -0.07 0.00 0.71 0.00 0.00 60.37 61.14 3mgx h HIS 249 Cb 0.47 -0.38 -0.01 0.00 2.52 0.00 0.00 27.41 30.01 3mgx h HIS 249 CO 0.03 0.85 -0.03 0.00 0.71 0.00 0.00 177.93 179.50 3mgx h ALA 250 N 1.24 0.54 0.00 5.26 0.00 -0.61 -1.93 119.26 123.76 3mgx h ALA 250 Ca 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3mgx h ALA 250 Cb 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3mgx h ALA 250 CO -0.04 0.35 -0.09 -0.07 0.00 0.00 0.00 179.25 179.40 3mgx h LEU 251 N 0.54 0.00 0.00 0.00 3.38 -1.12 0.12 115.31 118.23 3mgx h LEU 251 Ca 0.11 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.84 3mgx h LEU 251 Cb 0.52 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3mgx h LEU 251 CO 0.03 0.09 -1.42 0.00 0.09 0.00 0.00 178.44 177.22 3mgx h ALA 252 N 1.91 0.65 0.00 1.53 0.00 -1.07 -3.42 119.26 118.86 3mgx h ALA 252 Ca -0.00 -1.16 -0.33 0.00 0.00 0.00 0.00 54.91 53.42 3mgx h ALA 252 Cb 0.38 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3mgx h ALA 252 CO 0.01 1.33 -2.20 0.25 0.00 0.00 0.00 179.25 178.63 3mgx n THR 253 N -3.09 1.20 -2.45 0.00 -2.24 -0.74 -4.45 114.28 102.51 3mgx n THR 253 Ca -0.11 -0.43 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 3mgx n THR 253 Cb 0.97 -1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 3mgx n THR 253 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3mgx s VAL 254 N -2.42 4.17 0.11 2.28 1.01 0.40 -4.98 120.40 120.98 3mgx s VAL 254 Ca -0.29 1.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.69 3mgx s VAL 254 Cb 0.08 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3mgx s VAL 254 CO 0.47 -0.53 1.36 -2.84 0.00 0.00 0.00 175.10 173.56 3mgx s PRO 255 N 4.18 4.34 0.00 2.72 0.02 -1.26 -2.97 135.00 142.03 3mgx s PRO 255 Ca 0.55 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3mgx s PRO 255 Cb -0.15 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.11 3mgx s PRO 255 CO 0.23 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 3mgx n GLY 256 N 3.38 2.20 0.15 0.52 0.00 -1.26 -4.92 105.19 105.27 3mgx n GLY 256 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3mgx n GLY 256 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mgx h LEU 257 N 0.00 0.38 -0.76 0.99 5.85 -1.89 0.13 115.31 120.02 3mgx h LEU 257 Ca 0.00 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 3mgx h LEU 257 Cb 0.00 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3mgx h LEU 257 CO 0.00 0.35 0.09 0.25 -0.34 0.00 0.00 178.44 178.79 3mgx h LEU 258 N 0.38 0.99 -0.34 2.25 5.85 -1.83 -1.60 115.31 121.01 3mgx h LEU 258 Ca 0.11 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3mgx h LEU 258 Cb 0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3mgx h LEU 258 CO -0.02 0.99 -0.24 0.74 -0.34 0.00 0.00 178.44 179.58 3mgx h THR 259 N 0.96 1.29 -0.45 1.05 2.02 -1.86 -2.64 112.91 113.28 3mgx h THR 259 Ca 0.19 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 3mgx h THR 259 Cb 0.44 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3mgx h THR 259 CO 0.01 0.45 0.21 0.00 0.37 0.00 0.00 175.52 176.56 3mgx h ALA 260 N 0.76 1.51 -0.05 6.16 0.00 -0.48 -0.79 119.26 126.37 3mgx h ALA 260 Ca 0.07 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3mgx h ALA 260 Cb 0.79 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3mgx h ALA 260 CO 0.06 0.39 -0.66 -0.07 0.00 0.00 0.00 179.25 178.97 3mgx h LEU 261 N 0.64 0.24 -0.05 0.00 3.38 -1.29 -1.44 115.31 116.79 3mgx h LEU 261 Ca 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3mgx h LEU 261 Cb 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3mgx h LEU 261 CO -0.02 0.83 -0.04 -0.09 0.09 0.00 0.00 178.44 179.21 3mgx h ARG 262 N 0.14 0.11 0.00 1.13 2.43 -0.90 -3.31 114.38 113.99 3mgx h ARG 262 Ca -0.01 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3mgx h ARG 262 Cb 1.19 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3mgx h ARG 262 CO 0.10 0.54 -0.49 0.38 -1.51 0.00 0.00 179.97 178.99 3mgx h ASP 263 N -0.31 0.00 0.00 -3.80 -0.00 -1.28 -3.48 116.42 107.54 3mgx h ASP 263 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 3mgx h ASP 263 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 3mgx h ASP 263 CO 0.01 0.30 0.00 0.61 -0.00 0.00 0.00 179.24 180.16 3mgx n GLY 264 N 1.20 1.01 0.21 7.15 0.00 -0.72 -4.98 105.19 109.05 3mgx n GLY 264 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3mgx n GLY 264 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mgx h SER 265 N 0.00 0.00 -3.48 1.61 4.64 -1.62 -3.43 113.55 111.27 3mgx h SER 265 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 3mgx h SER 265 Cb 0.00 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.85 3mgx h SER 265 CO 0.00 0.00 -0.73 0.00 -0.87 0.00 0.00 176.83 175.23 3mgx s ALA 266 N -3.31 2.78 0.03 5.18 0.00 -0.92 -5.03 121.76 120.49 3mgx s ALA 266 Ca 0.06 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 3mgx s ALA 266 Cb 0.08 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 3mgx s ALA 266 CO 0.60 0.34 1.16 0.34 0.00 0.00 0.00 175.76 178.20 3mgx s ASP 267 N -0.01 7.13 0.15 0.00 2.15 -1.26 -4.62 116.67 120.21 3mgx s ASP 267 Ca -0.02 1.91 -0.14 0.00 0.43 0.00 0.00 52.55 54.72 3mgx s ASP 267 Cb -0.14 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 39.94 3mgx s ASP 267 CO 0.04 -0.45 1.71 1.62 -0.17 0.00 0.00 175.17 177.92 3mgx h VAL 268 N 4.66 1.20 -0.11 1.11 3.04 -1.96 -2.05 116.25 122.15 3mgx h VAL 268 Ca -0.40 -0.60 -0.13 0.00 -1.01 0.00 0.00 66.70 64.56 3mgx h VAL 268 Cb 1.20 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 3mgx h VAL 268 CO 0.81 0.23 -0.49 0.44 -1.01 0.00 0.00 177.57 177.55 3mgx h ASP 269 N 0.63 0.30 -0.45 3.17 3.32 -1.97 -2.34 116.42 119.08 3mgx h ASP 269 Ca 0.16 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 3mgx h ASP 269 Cb 0.16 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3mgx h ASP 269 CO -0.02 0.74 -0.24 0.74 -1.72 0.00 0.00 179.24 178.75 3mgx h THR 270 N 0.22 1.27 -0.08 0.35 2.02 -1.82 -2.69 112.91 112.18 3mgx h THR 270 Ca 0.01 -1.40 -0.12 0.00 0.77 0.00 0.00 66.41 65.67 3mgx h THR 270 Cb 0.95 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3mgx h THR 270 CO 0.08 0.48 -0.49 -0.37 0.37 0.00 0.00 175.52 175.59 3mgx h VAL 271 N 0.80 1.34 -0.34 3.16 -1.51 -1.30 -2.33 116.25 116.08 3mgx h VAL 271 Ca 0.10 -1.71 0.02 0.00 -1.23 0.00 0.00 66.70 63.87 3mgx h VAL 271 Cb 0.81 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.78 3mgx h VAL 271 CO 0.07 0.51 0.19 0.58 -1.23 0.00 0.00 177.57 177.68 3mgx h VAL 272 N 0.17 1.02 -0.41 7.19 2.07 -1.33 0.18 116.25 125.14 3mgx h VAL 272 Ca 0.01 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3mgx h VAL 272 Cb 0.93 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3mgx h VAL 272 CO 0.07 0.07 0.09 -0.33 0.02 0.00 0.00 177.57 177.49 3mgx h GLU 273 N 0.39 0.60 -0.26 1.57 4.39 -1.34 -1.06 114.58 118.87 3mgx h GLU 273 Ca 0.14 -0.11 -0.18 0.00 0.34 0.00 0.00 59.36 59.54 3mgx h GLU 273 Cb 0.02 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3mgx h GLU 273 CO -0.07 0.56 -0.56 1.49 -1.16 0.00 0.00 179.01 179.26 3mgx h GLU 274 N 0.59 0.81 -0.60 2.33 4.57 -0.89 -1.49 114.58 119.90 3mgx h GLU 274 Ca 0.14 -0.52 0.01 0.00 -1.18 0.00 0.00 59.36 57.80 3mgx h GLU 274 Cb 0.24 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3mgx h GLU 274 CO -0.00 1.15 0.39 0.28 -1.18 0.00 0.00 179.01 179.65 3mgx h VAL 275 N 0.62 1.14 -0.32 0.32 2.07 -0.32 0.21 116.25 119.96 3mgx h VAL 275 Ca 0.01 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3mgx h VAL 275 Cb 1.16 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3mgx h VAL 275 CO 0.12 0.14 0.18 -0.07 0.02 0.00 0.00 177.57 177.97 3mgx h LEU 276 N 0.79 0.39 -0.30 2.57 3.38 -1.12 0.12 115.31 121.15 3mgx h LEU 276 Ca 0.22 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3mgx h LEU 276 Cb -0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3mgx h LEU 276 CO -0.06 0.35 0.04 -0.09 0.09 0.00 0.00 178.44 178.77 3mgx h ARG 277 N 0.40 0.50 -0.60 1.13 2.43 -1.12 -1.21 114.38 115.91 3mgx h ARG 277 Ca 0.11 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3mgx h ARG 277 Cb 0.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3mgx h ARG 277 CO -0.02 0.61 0.05 2.35 -1.51 0.00 0.00 179.97 181.45 3mgx h TRP 278 N 0.31 1.10 0.17 2.20 2.91 -0.43 -3.29 115.95 118.91 3mgx h TRP 278 Ca 0.09 -0.17 -0.32 0.00 1.13 0.00 0.00 58.89 59.62 3mgx h TRP 278 Cb 0.36 -0.29 0.01 0.00 -0.51 0.00 0.00 29.16 28.73 3mgx h TRP 278 CO 0.03 0.96 -1.56 1.79 -1.03 0.00 0.00 178.44 178.62 3mgx h THR 279 N 0.92 1.03 -6.67 2.65 1.35 -0.82 -3.49 112.91 107.87 3mgx h THR 279 Ca 0.17 -2.49 -0.45 0.00 -0.55 0.00 0.00 66.41 63.09 3mgx h THR 279 Cb 0.49 2.80 -0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3mgx h THR 279 CO 0.02 0.80 -0.93 -1.20 -0.25 0.00 0.00 175.52 173.95 3mgx n SER 280 N -3.75 -3.92 -0.16 5.36 7.64 -0.46 -4.86 113.62 113.49 3mgx n SER 280 Ca -0.24 -0.93 0.01 0.00 1.01 0.00 0.00 58.87 58.73 3mgx n SER 280 Cb 1.01 -1.36 0.28 0.00 -1.01 0.00 0.00 64.21 63.13 3mgx n SER 280 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3mgx h PRO 281 N -0.61 0.86 -6.51 1.43 0.11 -1.82 -3.38 132.00 122.09 3mgx h PRO 281 Ca -0.57 -0.06 -0.55 0.00 0.11 0.00 0.00 66.00 64.93 3mgx h PRO 281 Cb 1.21 -0.19 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 3mgx h PRO 281 CO 0.35 0.59 1.02 0.00 -0.21 0.00 0.00 178.00 179.75 3mgx s ALA 282 N -5.71 2.91 0.17 -0.75 0.00 -1.26 -0.33 121.76 116.79 3mgx s ALA 282 Ca -0.10 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 3mgx s ALA 282 Cb 0.17 -4.09 0.03 0.00 0.00 0.00 0.00 23.12 19.24 3mgx s ALA 282 CO 0.77 -2.83 1.44 1.98 0.00 0.00 0.00 175.76 177.12 3mgx h MET 283 N 9.95 0.56 -3.23 0.00 4.05 -1.62 -3.41 114.93 121.23 3mgx h MET 283 Ca -0.26 -0.41 -0.08 0.00 -0.28 0.00 0.00 59.70 58.67 3mgx h MET 283 Cb 1.06 0.07 -0.16 0.00 -0.80 0.00 0.00 31.60 31.77 3mgx h MET 283 CO 1.20 1.03 -0.16 -3.38 0.23 0.00 0.00 176.91 175.83 3mgx s HIS 284 N -3.82 -0.18 -0.04 1.39 -3.43 -1.26 -2.53 115.29 105.43 3mgx s HIS 284 Ca -0.07 0.04 0.02 0.00 -0.80 0.00 0.00 55.06 54.24 3mgx s HIS 284 Cb 0.10 0.17 0.01 0.00 -1.43 0.00 0.00 32.58 31.44 3mgx s HIS 284 CO 0.85 -0.57 -0.08 0.14 -2.00 0.00 0.00 174.74 173.09 3mgx s VAL 285 N -2.79 0.75 -0.01 -5.38 -7.23 -0.84 -4.93 120.40 99.96 3mgx s VAL 285 Ca -0.03 -0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.84 3mgx s VAL 285 Cb -0.00 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 3mgx s VAL 285 CO -0.05 0.26 0.14 -0.22 -0.31 0.00 0.00 175.10 174.92 3mgx s LEU 286 N 0.62 4.17 0.06 1.32 0.20 0.11 -1.05 118.68 124.11 3mgx s LEU 286 Ca -0.10 0.27 0.02 0.00 0.69 0.00 0.00 54.13 55.01 3mgx s LEU 286 Cb -0.13 -2.43 -0.03 0.00 -0.43 0.00 0.00 46.19 43.17 3mgx s LEU 286 CO 0.01 0.28 -0.08 -0.13 -0.29 0.00 0.00 176.35 176.14 3mgx s ARG 287 N -1.79 0.65 -0.14 1.98 1.81 0.14 -4.26 118.95 117.34 3mgx s ARG 287 Ca 0.25 -0.93 0.01 0.00 -1.72 0.00 0.00 55.73 53.33 3mgx s ARG 287 Cb -0.12 -0.34 -0.00 0.00 -0.45 0.00 0.00 34.95 34.03 3mgx s ARG 287 CO 0.16 0.05 -0.16 0.08 -0.68 0.00 0.00 175.30 174.75 3mgx s VAL 288 N -1.95 2.65 0.28 3.52 1.01 -0.33 0.35 120.40 125.95 3mgx s VAL 288 Ca -0.03 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3mgx s VAL 288 Cb -0.06 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.11 3mgx s VAL 288 CO -0.01 0.52 1.46 0.42 0.00 0.00 0.00 175.10 177.50 3mgx s THR 289 N 0.66 2.47 -0.08 3.92 -4.23 -0.65 -0.03 115.64 117.71 3mgx s THR 289 Ca -0.08 0.42 0.14 0.00 -1.18 0.00 0.00 61.69 60.98 3mgx s THR 289 Cb -0.16 -3.27 -0.24 0.00 1.34 0.00 0.00 72.50 70.18 3mgx s THR 289 CO 0.02 0.07 0.52 0.35 -0.54 0.00 0.00 174.62 175.04 3mgx n THR 290 N 1.87 1.56 -4.26 3.99 -2.24 -0.61 -0.53 114.28 114.06 3mgx n THR 290 Ca 0.05 -0.81 -0.19 0.00 -2.27 0.00 0.00 64.05 60.83 3mgx n THR 290 Cb 0.40 -0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 67.64 3mgx n THR 290 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mgx s ALA 291 N -2.57 1.76 -0.00 6.98 0.00 -1.26 -4.72 121.76 121.94 3mgx s ALA 291 Ca -0.06 -2.03 -0.30 0.00 0.00 0.00 0.00 51.96 49.57 3mgx s ALA 291 Cb 0.07 1.44 -0.06 0.00 0.00 0.00 0.00 23.12 24.58 3mgx s ALA 291 CO 0.83 -0.68 1.57 -0.51 0.00 0.00 0.00 175.76 176.96 3mgx s ASP 292 N -3.37 6.71 -0.01 0.00 1.01 -1.26 -4.13 116.67 115.62 3mgx s ASP 292 Ca 0.40 2.26 -0.07 0.00 0.71 0.00 0.00 52.55 55.84 3mgx s ASP 292 Cb 0.02 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.40 3mgx s ASP 292 CO 0.27 -0.85 0.16 0.54 0.21 0.00 0.00 175.17 175.50 3mgx s VAL 293 N 3.13 0.06 -0.36 -1.27 0.11 -0.95 -5.03 120.40 116.10 3mgx s VAL 293 Ca 0.70 -0.53 -0.10 0.00 -2.93 0.00 0.00 61.98 59.13 3mgx s VAL 293 Cb -0.34 -0.40 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 3mgx s VAL 293 CO 0.29 -0.29 0.18 -0.89 -3.33 0.00 0.00 175.10 171.06 3mgx s THR 294 N -1.06 4.45 -0.20 5.04 2.01 -1.26 -1.47 115.64 123.14 3mgx s THR 294 Ca -0.11 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 3mgx s THR 294 Cb -0.06 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3mgx s THR 294 CO 0.01 -0.17 0.07 -0.63 -0.69 0.00 0.00 174.62 173.22 3mgx s ILE 295 N 1.54 4.74 0.00 1.82 1.01 -0.83 -4.87 121.20 124.61 3mgx s ILE 295 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3mgx s ILE 295 Cb -0.19 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.12 3mgx s ILE 295 CO 0.06 0.42 0.00 0.59 0.00 0.00 0.00 174.94 176.01 3mgx n ASN 296 N 3.94 0.00 -0.71 3.58 4.13 -1.26 -1.55 115.26 123.39 3mgx n ASN 296 Ca -0.16 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.15 3mgx n ASN 296 Cb 0.52 0.00 0.19 0.00 -1.54 0.00 0.00 39.78 38.95 3mgx n ASN 296 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mgx n GLY 297 N 0.00 4.96 3.16 7.41 0.00 -1.26 -5.03 105.19 114.42 3mgx n GLY 297 Ca 0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 3mgx n GLY 297 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mgx s ARG 298 N -3.07 2.32 -0.28 1.61 6.06 -0.60 -5.11 118.95 119.88 3mgx s ARG 298 Ca 0.38 -0.70 -0.24 0.00 -2.50 0.00 0.00 55.73 52.67 3mgx s ARG 298 Cb 0.37 -1.87 -0.00 0.00 0.06 0.00 0.00 34.95 33.51 3mgx s ARG 298 CO -0.07 0.19 0.83 -0.51 -2.50 0.00 0.00 175.30 173.24 3mgx s ASP 299 N 0.26 6.77 -0.09 -2.12 1.01 -1.26 -1.96 116.67 119.27 3mgx s ASP 299 Ca -0.12 0.88 0.03 0.00 0.71 0.00 0.00 52.55 54.05 3mgx s ASP 299 Cb -0.15 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3mgx s ASP 299 CO 0.05 -0.59 -0.19 -0.76 0.21 0.00 0.00 175.17 173.89 3mgx s LEU 300 N 2.96 2.41 0.91 1.23 1.02 -0.54 -5.02 118.68 121.64 3mgx s LEU 300 Ca 0.35 -0.40 -0.14 0.00 0.02 0.00 0.00 54.13 53.96 3mgx s LEU 300 Cb -0.14 -1.49 0.14 0.00 0.02 0.00 0.00 46.19 44.71 3mgx s LEU 300 CO 0.10 0.22 1.21 -2.16 0.02 0.00 0.00 176.35 175.74 3mgx s PRO 301 N 0.01 1.15 0.27 1.29 0.04 -1.26 -2.25 135.00 134.26 3mgx s PRO 301 Ca -0.07 -0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.66 3mgx s PRO 301 Cb -0.15 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3mgx s PRO 301 CO 0.05 -2.13 1.23 0.45 0.04 0.00 0.00 177.00 176.64 3mgx s SER 302 N -4.51 6.98 0.00 6.66 0.15 -1.26 -3.59 113.70 118.14 3mgx s SER 302 Ca 0.67 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.78 3mgx s SER 302 Cb -0.09 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 3mgx s SER 302 CO 0.52 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.17 3mgx n GLY 303 N 1.37 0.79 3.62 9.45 0.00 0.31 -5.00 105.19 115.72 3mgx n GLY 303 Ca 0.01 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 3mgx n GLY 303 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mgx s THR 304 N -2.00 4.82 0.08 2.61 2.01 -1.24 -4.69 115.64 117.24 3mgx s THR 304 Ca 0.00 -0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.67 3mgx s THR 304 Cb 0.00 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.25 3mgx s THR 304 CO 0.00 0.43 1.26 -2.84 -0.69 0.00 0.00 174.62 172.78 3mgx s PRO 305 N 0.62 4.40 -0.03 4.92 0.02 -1.26 -1.63 135.00 142.03 3mgx s PRO 305 Ca 0.04 1.88 0.04 0.00 0.02 0.00 0.00 61.00 62.98 3mgx s PRO 305 Cb -0.13 -3.31 -0.00 0.00 0.02 0.00 0.00 34.50 31.08 3mgx s PRO 305 CO 0.01 -0.31 -0.16 0.08 -0.33 0.00 0.00 177.00 176.29 3mgx s VAL 306 N 1.04 1.29 -0.06 3.83 1.01 0.16 -1.78 120.40 125.89 3mgx s VAL 306 Ca 0.61 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3mgx s VAL 306 Cb -0.32 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 3mgx s VAL 306 CO 0.30 0.37 -0.20 -0.69 0.00 0.00 0.00 175.10 174.88 3mgx s VAL 307 N -0.02 1.67 -0.29 2.92 1.01 0.20 0.28 120.40 126.17 3mgx s VAL 307 Ca -0.02 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3mgx s VAL 307 Cb -0.10 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3mgx s VAL 307 CO 0.01 0.47 0.11 0.00 0.00 0.00 0.00 175.10 175.69 3mgx s ALA 308 N 0.17 3.18 -0.64 5.51 0.00 -0.21 -0.77 121.76 128.99 3mgx s ALA 308 Ca -0.09 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.31 3mgx s ALA 308 Cb -0.14 -2.23 0.07 0.00 0.00 0.00 0.00 23.12 20.82 3mgx s ALA 308 CO 0.04 -0.80 0.91 -1.58 0.00 0.00 0.00 175.76 174.33 3mgx s TRP 309 N 1.58 2.75 0.17 0.00 0.52 -0.96 -1.99 118.94 121.00 3mgx s TRP 309 Ca 0.04 -0.59 -0.10 0.00 0.02 0.00 0.00 56.10 55.47 3mgx s TRP 309 Cb -0.17 -4.21 0.05 0.00 -1.15 0.00 0.00 33.47 28.00 3mgx s TRP 309 CO 0.04 -1.55 1.63 -0.07 0.02 0.00 0.00 176.95 177.02 3mgx h LEU 310 N 11.05 0.98 -1.52 2.99 3.38 -1.71 -2.71 115.31 127.78 3mgx h LEU 310 Ca -0.29 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 3mgx h LEU 310 Cb 1.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3mgx h LEU 310 CO 1.16 1.04 -0.25 -0.65 0.09 0.00 0.00 178.44 179.83 3mgx h PRO 311 N 0.89 0.00 -0.44 1.13 0.11 -1.78 -0.57 132.00 131.34 3mgx h PRO 311 Ca 0.16 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 3mgx h PRO 311 Cb 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 3mgx h PRO 311 CO 0.03 0.25 -0.05 0.00 -0.21 0.00 0.00 178.00 178.01 3mgx h ALA 312 N 1.75 0.60 -0.18 -0.75 0.00 -1.74 -2.91 119.26 116.03 3mgx h ALA 312 Ca -0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3mgx h ALA 312 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3mgx h ALA 312 CO 0.03 0.44 -0.38 0.00 0.00 0.00 0.00 179.25 179.34 3mgx h ALA 313 N 0.88 1.00 0.00 0.00 0.00 -0.84 -2.50 119.26 117.81 3mgx h ALA 313 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3mgx h ALA 313 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3mgx h ALA 313 CO 0.03 0.61 0.00 0.09 0.00 0.00 0.00 179.25 179.98 3mgx n ASN 314 N -4.04 0.00 -0.14 0.00 3.02 -0.26 -2.76 115.26 111.08 3mgx n ASN 314 Ca -0.01 -0.47 0.04 0.00 -0.03 0.00 0.00 54.58 54.10 3mgx n ASN 314 Cb 0.48 -0.15 0.06 0.00 -0.61 0.00 0.00 39.78 39.56 3mgx n ASN 314 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mgx n ARG 315 N -1.15 1.24 -1.94 3.52 1.74 -1.10 -4.88 116.66 114.10 3mgx n ARG 315 Ca 0.17 -1.69 -0.42 0.00 -0.77 0.00 0.00 57.85 55.13 3mgx n ARG 315 Cb 0.16 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 3mgx n ARG 315 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3mgx s ASP 316 N -1.62 6.44 0.60 0.55 2.15 -0.96 -4.78 116.67 119.05 3mgx s ASP 316 Ca 0.13 2.12 0.36 0.00 0.43 0.00 0.00 52.55 55.59 3mgx s ASP 316 Cb 0.11 -2.53 1.93 0.00 -0.30 0.00 0.00 42.92 42.13 3mgx s ASP 316 CO 0.01 -1.13 2.23 -0.65 -0.17 0.00 0.00 175.17 175.45 3mgx h PRO 317 N 10.56 0.00 0.00 4.34 0.11 -1.91 0.29 132.00 145.39 3mgx h PRO 317 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3mgx h PRO 317 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mgx h PRO 317 CO 0.96 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 3mgx h ALA 318 N 1.97 1.00 0.00 -0.75 0.00 -1.94 -3.32 119.26 116.22 3mgx h ALA 318 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3mgx h ALA 318 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3mgx h ALA 318 CO 0.00 0.00 -1.33 -1.91 0.00 0.00 0.00 179.25 176.02 3mgx n GLU 319 N -2.95 2.33 -4.02 0.00 4.07 -0.44 -5.01 120.64 114.62 3mgx n GLU 319 Ca 0.01 0.01 -0.30 0.00 -0.06 0.00 0.00 57.16 56.82 3mgx n GLU 319 Cb 0.32 -1.12 -0.16 0.00 -0.06 0.00 0.00 31.44 30.42 3mgx n GLU 319 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 3mgx s PHE 320 N -2.12 2.27 0.18 4.31 0.08 0.89 -4.94 117.98 118.65 3mgx s PHE 320 Ca -0.04 -1.34 -0.30 0.00 0.12 0.00 0.00 56.93 55.37 3mgx s PHE 320 Cb 0.02 -1.63 -0.08 0.00 -0.57 0.00 0.00 43.02 40.76 3mgx s PHE 320 CO 0.18 -0.70 1.11 -0.51 -0.10 0.00 0.00 175.22 175.20 3mgx s ASP 321 N 1.45 7.24 -1.02 1.36 -0.00 -1.26 -3.87 116.67 120.57 3mgx s ASP 321 Ca 0.04 2.11 -0.17 0.00 -0.00 0.00 0.00 52.55 54.53 3mgx s ASP 321 Cb -0.14 -2.61 0.02 0.00 -0.00 0.00 0.00 42.92 40.20 3mgx s ASP 321 CO -0.10 -0.23 0.67 -0.67 -0.00 0.00 0.00 175.17 174.83 3mgx n ASP 322 N 2.33 -4.80 0.16 0.27 -0.08 -1.26 -4.85 116.55 108.32 3mgx n ASP 322 Ca 0.03 -1.06 0.13 0.00 -1.51 0.00 0.00 54.79 52.38 3mgx n ASP 322 Cb 0.46 -2.11 0.50 0.00 2.34 0.00 0.00 41.12 42.30 3mgx n ASP 322 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3mgx h PRO 323 N -1.44 0.00 0.00 -0.67 0.13 -1.87 -2.89 132.00 125.26 3mgx h PRO 323 Ca -0.64 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.48 3mgx h PRO 323 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 3mgx h PRO 323 CO 0.44 0.00 -0.32 -0.44 -0.23 0.00 0.00 178.00 177.45 3mgx h ASP 324 N 0.00 0.00 -3.29 1.44 3.45 -1.91 -3.46 116.42 112.65 3mgx h ASP 324 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 3mgx h ASP 324 Cb 0.50 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.22 3mgx h ASP 324 CO 0.00 0.07 0.00 0.42 -1.57 0.00 0.00 179.24 178.17 3mgx s THR 325 N -3.21 4.70 -0.51 0.35 -4.23 -1.09 -5.03 115.64 106.62 3mgx s THR 325 Ca 0.05 1.30 -0.28 0.00 -1.18 0.00 0.00 61.69 61.58 3mgx s THR 325 Cb 0.06 -3.94 0.03 0.00 1.34 0.00 0.00 72.50 69.99 3mgx s THR 325 CO 0.71 0.53 1.13 0.12 -0.54 0.00 0.00 174.62 176.57 3mgx s PHE 326 N -0.98 2.76 -0.37 3.99 5.36 -1.26 -5.00 117.98 122.47 3mgx s PHE 326 Ca 0.30 0.58 -0.09 0.00 -0.96 0.00 0.00 56.93 56.77 3mgx s PHE 326 Cb -0.20 -4.42 0.04 0.00 -0.34 0.00 0.00 43.02 38.10 3mgx s PHE 326 CO 0.20 -1.35 0.19 -0.51 -1.46 0.00 0.00 175.22 172.28 3mgx s LEU 327 N 4.53 4.71 0.46 6.12 1.43 -1.26 -4.99 118.68 129.68 3mgx s LEU 327 Ca 0.45 -1.18 0.18 0.00 -1.03 0.00 0.00 54.13 52.55 3mgx s LEU 327 Cb -0.07 -1.96 1.15 0.00 0.03 0.00 0.00 46.19 45.33 3mgx s LEU 327 CO 0.29 -0.41 1.96 -0.65 0.23 0.00 0.00 176.35 177.78 3mgx h PRO 328 N 8.36 0.28 -0.60 1.29 0.11 -1.94 -2.18 132.00 137.31 3mgx h PRO 328 Ca -0.24 -0.02 -0.36 0.00 0.11 0.00 0.00 66.00 65.50 3mgx h PRO 328 Cb 1.09 -0.06 -0.21 0.00 0.11 0.00 0.00 31.00 31.92 3mgx h PRO 328 CO 0.67 0.19 0.06 0.41 -0.21 0.00 0.00 178.00 179.11 3mgx n GLY 329 N -1.56 5.20 3.62 -0.55 0.00 -1.26 -3.44 105.19 107.20 3mgx n GLY 329 Ca 0.12 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 3mgx n GLY 329 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mgx s ARG 330 N -3.40 3.48 -0.06 1.61 3.52 -0.82 -4.97 118.95 118.31 3mgx s ARG 330 Ca 0.50 1.93 -0.02 0.00 -0.13 0.00 0.00 55.73 58.01 3mgx s ARG 330 Cb 0.43 -4.23 0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3mgx s ARG 330 CO 0.02 -1.69 0.12 0.15 -0.81 0.00 0.00 175.30 173.09 3mgx s LYS 331 N 5.54 0.06 0.65 5.12 1.02 -1.26 -4.20 119.74 126.68 3mgx s LYS 331 Ca 0.88 0.35 -0.11 0.00 0.02 0.00 0.00 55.97 57.11 3mgx s LYS 331 Cb -0.31 -0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 36.78 3mgx s LYS 331 CO 0.35 -0.17 1.05 -1.25 -0.92 0.00 0.00 175.35 174.40 3mgx s PRO 332 N 1.21 3.35 -0.51 -1.68 0.04 -1.26 -5.15 135.00 131.00 3mgx s PRO 332 Ca -0.09 0.73 0.04 0.00 0.04 0.00 0.00 61.00 61.73 3mgx s PRO 332 Cb -0.12 -2.05 0.17 0.00 0.04 0.00 0.00 34.50 32.54 3mgx s PRO 332 CO -0.05 -0.75 0.40 -1.71 0.04 0.00 0.00 177.00 174.93 3mgx n ASN 333 N -2.86 0.72 -2.74 6.66 2.85 -1.26 -5.00 115.26 113.62 3mgx n ASN 333 Ca 0.06 -2.67 -0.31 0.00 -0.11 0.00 0.00 54.58 51.56 3mgx n ASN 333 Cb 0.54 -0.62 -0.03 0.00 1.24 0.00 0.00 39.78 40.91 3mgx n ASN 333 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3mgx n ARG 334 N 2.51 2.91 -2.24 1.20 1.74 -1.26 -4.99 116.66 116.53 3mgx n ARG 334 Ca 0.27 -2.75 -0.34 0.00 -0.77 0.00 0.00 57.85 54.25 3mgx n ARG 334 Cb 0.44 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 3mgx n ARG 334 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3mgx s HIS 335 N -2.00 2.75 -0.40 -1.55 -3.43 -1.26 -4.97 115.29 104.43 3mgx s HIS 335 Ca 0.57 1.55 0.04 0.00 -0.80 0.00 0.00 55.06 56.42 3mgx s HIS 335 Cb 0.35 -3.21 0.46 0.00 -1.43 0.00 0.00 32.58 28.75 3mgx s HIS 335 CO -0.22 -1.40 1.44 0.44 -2.00 0.00 0.00 174.74 173.00 3mgx n ILE 336 N -1.42 2.86 -0.14 -5.38 -5.35 -1.26 -4.74 119.36 103.92 3mgx n ILE 336 Ca 0.11 -3.84 0.06 0.00 -0.27 0.00 0.00 62.75 58.81 3mgx n ILE 336 Cb 0.52 -1.15 0.37 0.00 -1.74 0.00 0.00 39.64 37.64 3mgx n ILE 336 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3mgx h THR 337 N 1.83 1.04 -0.42 7.28 2.02 -1.88 -0.26 112.91 122.52 3mgx h THR 337 Ca 0.44 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.38 3mgx h THR 337 Cb 1.32 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3mgx h THR 337 CO 1.01 0.13 0.00 0.49 0.37 0.00 0.00 175.52 177.52 3mgx n PHE 338 N -4.47 0.75 -4.03 3.16 0.99 -1.26 -4.61 117.46 107.98 3mgx n PHE 338 Ca 0.09 -0.33 0.00 0.00 -0.00 0.00 0.00 57.45 57.21 3mgx n PHE 338 Cb 0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 39.48 38.59 3mgx n PHE 338 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3mgx n GLY 339 N 1.00 -0.92 3.55 1.37 0.00 -0.11 -1.36 105.19 108.71 3mgx n GLY 339 Ca 0.15 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 3mgx n GLY 339 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mgx s HIS 340 N 0.00 -0.63 0.00 1.61 2.46 -1.26 -4.69 115.29 112.78 3mgx s HIS 340 Ca 0.00 1.15 0.00 0.00 0.47 0.00 0.00 55.06 56.68 3mgx s HIS 340 Cb 0.00 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.85 3mgx s HIS 340 CO 0.00 -0.53 0.00 0.41 -2.47 0.00 0.00 174.74 172.15 3mgx n GLY 341 N 1.14 0.23 0.21 1.59 0.00 -1.24 -4.25 105.19 102.87 3mgx n GLY 341 Ca -0.17 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.62 3mgx n GLY 341 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3mgx h MET 342 N 0.00 0.00 -0.69 1.61 2.86 -1.89 -2.81 114.93 114.02 3mgx h MET 342 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3mgx h MET 342 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3mgx h MET 342 CO 0.00 0.28 0.00 0.72 1.06 0.00 0.00 176.91 178.97 3mgx n HIS 343 N -3.66 1.09 -1.64 -0.22 -0.00 -1.26 -4.99 115.22 104.54 3mgx n HIS 343 Ca -0.01 -0.53 -0.56 0.00 -0.00 0.00 0.00 57.72 56.61 3mgx n HIS 343 Cb 0.40 -0.07 -0.07 0.00 -0.00 0.00 0.00 29.99 30.25 3mgx n HIS 343 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 3mgx n HIS 344 N 1.42 1.62 -1.26 4.41 -0.00 -1.06 -4.64 115.22 115.72 3mgx n HIS 344 Ca 0.24 0.70 -0.49 0.00 0.46 0.00 0.00 57.72 58.62 3mgx n HIS 344 Cb 0.69 -2.34 -0.07 0.00 -0.12 0.00 0.00 29.99 28.14 3mgx n HIS 344 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3mgx h LEU 346 N 3.86 0.00 -3.54 0.00 5.85 -1.92 -3.10 115.31 116.46 3mgx h LEU 346 Ca -0.31 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.19 3mgx h LEU 346 Cb 1.01 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.90 3mgx h LEU 346 CO 0.72 0.41 0.28 0.61 -0.34 0.00 0.00 178.44 180.12 3mgx n GLY 347 N -0.02 3.51 0.36 3.75 0.00 -1.26 -4.60 105.19 106.92 3mgx n GLY 347 Ca -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 3mgx n GLY 347 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mgx h SER 348 N 2.32 1.12 0.08 1.61 4.64 -1.82 0.19 113.55 121.68 3mgx h SER 348 Ca 0.27 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 3mgx h SER 348 Cb 2.24 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 64.03 3mgx h SER 348 CO 0.71 0.91 -0.29 0.00 -0.87 0.00 0.00 176.83 177.29 3mgx h ALA 349 N 1.27 1.19 -0.23 5.18 0.00 -1.81 -1.45 119.26 123.41 3mgx h ALA 349 Ca 0.31 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3mgx h ALA 349 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3mgx h ALA 349 CO -0.05 0.53 -0.51 1.25 0.00 0.00 0.00 179.25 180.47 3mgx h LEU 350 N 0.29 0.84 -1.02 0.00 5.85 -1.54 -1.68 115.31 118.04 3mgx h LEU 350 Ca 0.04 -0.56 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 3mgx h LEU 350 Cb 0.66 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3mgx h LEU 350 CO 0.05 1.24 0.10 0.00 -0.34 0.00 0.00 178.44 179.49 3mgx h ALA 351 N 0.62 1.20 -0.30 1.25 0.00 -0.83 -1.52 119.26 119.68 3mgx h ALA 351 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 3mgx h ALA 351 Cb 1.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3mgx h ALA 351 CO 0.11 0.54 -0.51 0.00 0.00 0.00 0.00 179.25 179.39 3mgx h ARG 352 N 0.78 0.87 -0.06 0.00 3.08 -1.23 -2.52 114.38 115.30 3mgx h ARG 352 Ca 0.17 -0.53 -0.14 0.00 0.07 0.00 0.00 59.98 59.55 3mgx h ARG 352 Cb 0.33 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3mgx h ARG 352 CO 0.00 1.17 -0.57 0.97 -1.07 0.00 0.00 179.97 180.47 3mgx h ILE 353 N 0.68 1.38 -0.22 2.04 6.09 -1.17 -1.31 117.51 125.00 3mgx h ILE 353 Ca 0.02 -1.91 -0.04 0.00 -1.37 0.00 0.00 64.86 61.57 3mgx h ILE 353 Cb 1.12 1.96 -0.01 0.00 0.47 0.00 0.00 36.82 40.36 3mgx h ILE 353 CO 0.12 0.56 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.41 3mgx h GLU 354 N 0.15 0.39 -0.58 2.19 5.08 -1.25 -2.36 114.58 118.20 3mgx h GLU 354 Ca -0.00 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 3mgx h GLU 354 Cb 1.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3mgx h GLU 354 CO 0.09 0.60 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.62 3mgx h LEU 355 N 0.15 1.01 -0.33 1.33 3.38 -1.44 -2.20 115.31 117.22 3mgx h LEU 355 Ca 0.06 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3mgx h LEU 355 Cb 0.43 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3mgx h LEU 355 CO 0.01 1.07 0.18 -1.28 0.09 0.00 0.00 178.44 178.52 3mgx h SER 356 N 0.92 0.28 -0.18 -0.43 0.87 -1.20 -1.24 113.55 112.57 3mgx h SER 356 Ca 0.16 0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.54 3mgx h SER 356 Cb 0.56 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3mgx h SER 356 CO 0.03 0.21 -0.63 0.58 -0.53 0.00 0.00 176.83 176.49 3mgx h VAL 357 N 0.37 1.28 -0.32 2.23 2.07 -1.43 -2.20 116.25 118.26 3mgx h VAL 357 Ca 0.13 -1.84 0.04 0.00 0.82 0.00 0.00 66.70 65.86 3mgx h VAL 357 Cb 0.02 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 3mgx h VAL 357 CO -0.08 0.59 0.09 0.58 0.02 0.00 0.00 177.57 178.78 3mgx h VAL 358 N 0.59 0.89 -0.32 2.57 2.07 -1.24 -0.52 116.25 120.29 3mgx h VAL 358 Ca -0.01 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3mgx h VAL 358 Cb 1.24 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3mgx h VAL 358 CO 0.13 0.04 -0.13 -0.07 0.02 0.00 0.00 177.57 177.56 3mgx h LEU 359 N 0.22 0.53 0.28 2.57 3.38 -1.22 -2.57 115.31 118.51 3mgx h LEU 359 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3mgx h LEU 359 Cb 0.13 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3mgx h LEU 359 CO -0.16 0.70 -0.14 0.03 0.09 0.00 0.00 178.44 178.96 3mgx h ARG 360 N 0.50 -0.36 -0.46 1.13 3.08 -0.95 -2.78 114.38 114.54 3mgx h ARG 360 Ca 0.09 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3mgx h ARG 360 Cb 0.52 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3mgx h ARG 360 CO 0.03 -0.04 -0.07 0.28 -1.07 0.00 0.00 179.97 179.10 3mgx h VAL 361 N -0.72 1.25 0.00 2.04 2.07 -1.12 -0.92 116.25 118.85 3mgx h VAL 361 Ca -0.04 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 3mgx h VAL 361 Cb 0.49 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3mgx h VAL 361 CO 0.06 0.39 -0.31 -0.07 0.02 0.00 0.00 177.57 177.66 3mgx h LEU 362 N 0.73 0.00 -0.01 2.57 4.07 -1.56 -0.18 115.31 120.93 3mgx h LEU 362 Ca 0.13 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.98 3mgx h LEU 362 Cb 0.54 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 3mgx h LEU 362 CO 0.03 0.31 -0.52 0.00 -1.08 0.00 0.00 178.44 177.18 3mgx h ALA 363 N 1.69 0.67 0.17 1.53 0.00 -1.11 -2.46 119.26 119.75 3mgx h ALA 363 Ca -0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 3mgx h ALA 363 Cb 0.60 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3mgx h ALA 363 CO 0.04 0.65 -1.57 0.93 0.00 0.00 0.00 179.25 179.30 3mgx h GLU 364 N 0.00 0.36 0.00 0.00 5.08 -0.67 -3.42 114.58 115.93 3mgx h GLU 364 Ca -0.01 -0.61 -0.25 0.00 -1.00 0.00 0.00 59.36 57.50 3mgx h GLU 364 Cb 1.39 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.83 3mgx h GLU 364 CO 0.07 1.25 -1.93 0.54 -1.00 0.00 0.00 179.01 177.94 3mgx n ARG 365 N -3.56 1.11 -3.51 2.33 1.74 -0.13 -4.97 116.66 109.68 3mgx n ARG 365 Ca -0.19 0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.57 3mgx n ARG 365 Cb 1.07 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 31.09 3mgx n ARG 365 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mgx s VAL 366 N -2.33 5.27 0.01 1.55 1.01 -0.92 -3.48 120.40 121.52 3mgx s VAL 366 Ca -0.15 0.49 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 3mgx s VAL 366 Cb 0.05 -3.63 -0.26 0.00 0.00 0.00 0.00 36.38 32.54 3mgx s VAL 366 CO 0.46 0.31 1.07 0.77 0.00 0.00 0.00 175.10 177.71 3mgx h SER 367 N 7.31 0.60 -3.43 3.32 4.64 -0.88 -3.41 113.55 121.71 3mgx h SER 367 Ca -0.38 -0.80 -0.10 0.00 -0.47 0.00 0.00 61.79 60.04 3mgx h SER 367 Cb 1.16 -0.19 -0.25 0.00 -0.31 0.00 0.00 62.40 62.82 3mgx h SER 367 CO 0.70 1.34 -0.24 -0.13 -0.87 0.00 0.00 176.83 177.63 3mgx s ARG 368 N -3.05 0.46 -0.18 4.77 0.52 -0.94 -4.88 118.95 115.66 3mgx s ARG 368 Ca -0.12 0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 55.82 3mgx s ARG 368 Cb 0.04 0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.57 3mgx s ARG 368 CO 0.85 -0.13 -0.05 0.08 0.02 0.00 0.00 175.30 176.07 3mgx s VAL 369 N 1.04 3.63 -0.03 3.52 1.01 -1.26 -2.22 120.40 126.08 3mgx s VAL 369 Ca -0.06 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3mgx s VAL 369 Cb -0.06 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3mgx s VAL 369 CO -0.09 0.47 -0.22 -0.62 0.00 0.00 0.00 175.10 174.64 3mgx s ASP 370 N 0.76 2.65 0.00 3.32 2.15 -0.48 -4.24 116.67 120.82 3mgx s ASP 370 Ca -0.02 -0.42 -0.28 0.00 0.43 0.00 0.00 52.55 52.26 3mgx s ASP 370 Cb -0.15 -0.48 -0.04 0.00 -0.30 0.00 0.00 42.92 41.96 3mgx s ASP 370 CO 0.02 0.25 0.87 -0.22 -0.17 0.00 0.00 175.17 175.92 3mgx s LEU 371 N -0.34 4.38 -0.13 -1.34 2.96 -1.26 0.19 118.68 123.14 3mgx s LEU 371 Ca 0.03 1.52 -0.21 0.00 -0.22 0.00 0.00 54.13 55.26 3mgx s LEU 371 Cb -0.10 -3.40 -0.19 0.00 0.50 0.00 0.00 46.19 43.00 3mgx s LEU 371 CO 0.01 -0.16 0.53 -0.33 -1.32 0.00 0.00 176.35 175.07 3mgx h GLU 372 N 6.49 0.00 -3.68 1.98 4.39 -1.55 -3.47 114.58 118.75 3mgx h GLU 372 Ca -0.42 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.22 3mgx h GLU 372 Cb 1.21 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.76 3mgx h GLU 372 CO 0.74 0.73 -0.14 0.50 -1.16 0.00 0.00 179.01 179.69 3mgx s ARG 373 N -2.06 1.50 0.30 2.33 3.52 -1.25 -5.09 118.95 118.20 3mgx s ARG 373 Ca -0.15 -1.23 -0.30 0.00 -0.13 0.00 0.00 55.73 53.92 3mgx s ARG 373 Cb -0.02 0.46 -0.12 0.00 -1.56 0.00 0.00 34.95 33.72 3mgx s ARG 373 CO 0.50 -0.62 1.59 0.39 -0.81 0.00 0.00 175.30 176.35 3mgx n GLU 374 N -0.36 2.70 -2.17 5.12 -0.58 -1.26 -4.56 120.64 119.52 3mgx n GLU 374 Ca -0.02 0.96 -0.38 0.00 -0.42 0.00 0.00 57.16 57.30 3mgx n GLU 374 Cb 0.62 -2.74 -0.00 0.00 -0.57 0.00 0.00 31.44 28.75 3mgx n GLU 374 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3mgx s PRO 375 N -0.64 3.74 0.20 3.49 0.04 -1.26 -4.91 135.00 135.67 3mgx s PRO 375 Ca 0.63 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 3mgx s PRO 375 Cb -0.50 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 3mgx s PRO 375 CO 0.50 -0.60 0.40 0.00 0.04 0.00 0.00 177.00 177.34 3mgx s ALA 376 N -1.46 3.81 0.10 8.56 0.00 -1.02 -4.98 121.76 126.77 3mgx s ALA 376 Ca 0.63 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.90 3mgx s ALA 376 Cb -0.32 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 3mgx s ALA 376 CO 0.39 0.44 -0.22 -1.58 0.00 0.00 0.00 175.76 174.78 3mgx s TRP 377 N -1.87 2.43 0.31 0.00 0.52 -1.26 -0.27 118.94 118.80 3mgx s TRP 377 Ca 0.39 -0.33 -0.29 0.00 0.02 0.00 0.00 56.10 55.90 3mgx s TRP 377 Cb -0.11 -1.34 -0.10 0.00 -1.15 0.00 0.00 33.47 30.77 3mgx s TRP 377 CO 0.29 0.31 1.19 -0.51 0.02 0.00 0.00 176.95 178.24 3mgx s LEU 378 N -1.84 4.48 -1.28 2.99 1.43 -0.12 -4.62 118.68 119.72 3mgx s LEU 378 Ca 0.15 2.45 -0.18 0.00 -1.03 0.00 0.00 54.13 55.52 3mgx s LEU 378 Cb -0.10 -3.66 0.07 0.00 0.03 0.00 0.00 46.19 42.53 3mgx s LEU 378 CO 0.07 -0.34 1.72 -0.60 0.23 0.00 0.00 176.35 177.43 3mgx s ARG 379 N -1.65 3.97 0.17 1.70 3.52 -1.26 -4.71 118.95 120.70 3mgx s ARG 379 Ca 0.47 -1.97 -0.16 0.00 -0.13 0.00 0.00 55.73 53.94 3mgx s ARG 379 Cb -0.35 -5.52 0.02 0.00 -1.56 0.00 0.00 34.95 27.54 3mgx s ARG 379 CO 0.46 -2.25 0.44 0.00 -0.81 0.00 0.00 175.30 173.15 3mgx s ALA 380 N 4.20 -0.77 -0.02 6.12 0.00 -1.26 -4.97 121.76 125.06 3mgx s ALA 380 Ca 0.53 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.22 3mgx s ALA 380 Cb 0.04 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 3mgx s ALA 380 CO 0.07 -0.73 0.03 0.44 0.00 0.00 0.00 175.76 175.57 3mgx n ILE 381 N -0.28 0.00 -0.08 0.00 -5.35 -1.26 -4.67 119.36 107.71 3mgx n ILE 381 Ca -0.11 -0.16 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 3mgx n ILE 381 Cb 0.63 0.63 -0.05 0.00 -1.74 0.00 0.00 39.64 39.11 3mgx n ILE 381 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3mgx h VAL 382 N 0.00 1.31 -4.13 7.28 2.07 -1.95 -3.36 116.25 117.47 3mgx h VAL 382 Ca 0.00 -1.37 -0.55 0.00 0.82 0.00 0.00 66.70 65.60 3mgx h VAL 382 Cb 0.05 1.66 -0.30 0.00 -1.52 0.00 0.00 31.29 31.18 3mgx h VAL 382 CO 0.00 0.42 -0.84 0.54 0.02 0.00 0.00 177.57 177.72 3mgx s VAL 383 N -4.38 1.41 -0.97 2.57 0.11 -1.26 -2.27 120.40 115.60 3mgx s VAL 383 Ca -0.13 -0.73 -0.21 0.00 -2.93 0.00 0.00 61.98 57.98 3mgx s VAL 383 Cb 0.07 -1.19 0.09 0.00 -1.53 0.00 0.00 36.38 33.83 3mgx s VAL 383 CO 0.80 0.40 1.28 -1.58 -3.33 0.00 0.00 175.10 172.66 3mgx s GLN 384 N -0.20 3.59 0.09 1.54 0.74 0.55 -4.71 119.66 121.27 3mgx s GLN 384 Ca 0.02 -1.46 0.10 0.00 0.05 0.00 0.00 55.36 54.07 3mgx s GLN 384 Cb -0.09 -5.12 -0.04 0.00 1.10 0.00 0.00 33.01 28.87 3mgx s GLN 384 CO 0.01 -1.98 -0.27 0.20 -0.55 0.00 0.00 175.29 172.71 3mgx s GLY 385 N 4.26 1.51 -0.01 2.59 0.00 -1.26 -4.62 107.32 109.78 3mgx s GLY 385 Ca 0.39 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.42 3mgx s GLY 385 CO -0.10 -1.32 1.06 -0.19 0.00 0.00 0.00 173.10 172.55 3mgx s TYR 386 N -0.95 3.53 -0.07 1.90 2.02 -1.26 -0.94 117.35 121.57 3mgx s TYR 386 Ca 0.13 1.54 -0.20 0.00 -0.37 0.00 0.00 57.07 58.17 3mgx s TYR 386 Cb -0.10 -3.23 -0.30 0.00 -0.40 0.00 0.00 41.96 37.93 3mgx s TYR 386 CO 0.04 -0.48 0.76 -0.09 -1.57 0.00 0.00 175.55 174.21 3mgx h ARG 387 N 6.92 0.27 -2.81 -0.62 2.43 -0.89 -3.43 114.38 116.25 3mgx h ARG 387 Ca -0.39 -0.45 -0.10 0.00 -0.81 0.00 0.00 59.98 58.23 3mgx h ARG 387 Cb 1.20 0.17 -0.19 0.00 -0.42 0.00 0.00 29.97 30.72 3mgx h ARG 387 CO 0.80 1.22 -0.15 -1.83 -1.51 0.00 0.00 179.97 178.49 3mgx s GLU 388 N -2.44 0.78 -0.34 0.20 -1.05 -1.19 -4.83 118.70 109.83 3mgx s GLU 388 Ca -0.16 -0.11 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 3mgx s GLU 388 Cb 0.02 0.35 0.14 0.00 -0.44 0.00 0.00 34.13 34.20 3mgx s GLU 388 CO 0.80 -0.23 0.25 -1.17 0.95 0.00 0.00 175.26 175.86 3mgx s LEU 389 N -1.37 0.54 -0.15 1.83 2.96 -1.26 -2.44 118.68 118.78 3mgx s LEU 389 Ca -0.12 -1.79 -0.29 0.00 -0.22 0.00 0.00 54.13 51.70 3mgx s LEU 389 Cb -0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.57 3mgx s LEU 389 CO 0.05 -0.32 1.29 -2.84 -1.32 0.00 0.00 176.35 173.21 3mgx s PRO 390 N 1.41 4.23 0.06 0.98 0.02 -1.26 -0.20 135.00 140.24 3mgx s PRO 390 Ca 0.16 1.71 0.01 0.00 0.02 0.00 0.00 61.00 62.90 3mgx s PRO 390 Cb -0.19 -3.78 -0.03 0.00 0.02 0.00 0.00 34.50 30.52 3mgx s PRO 390 CO -0.08 -0.71 -0.06 0.14 -0.33 0.00 0.00 177.00 175.96 3mgx s VAL 391 N 3.50 0.52 -0.16 3.83 -7.23 -0.88 -1.31 120.40 118.66 3mgx s VAL 391 Ca 0.56 -1.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.19 3mgx s VAL 391 Cb -0.23 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 3mgx s VAL 391 CO 0.16 -0.68 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.10 3mgx s ARG 392 N -2.79 3.59 -0.16 4.82 0.52 0.13 -3.47 118.95 121.59 3mgx s ARG 392 Ca 0.01 -0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 54.61 3mgx s ARG 392 Cb -0.01 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3mgx s ARG 392 CO -0.03 0.16 -0.00 -0.06 0.02 0.00 0.00 175.30 175.39 3mgx s PHE 393 N 0.56 3.11 -0.08 -0.53 0.08 -1.25 -1.39 117.98 118.48 3mgx s PHE 393 Ca -0.03 -0.13 -0.00 0.00 0.12 0.00 0.00 56.93 56.89 3mgx s PHE 393 Cb -0.14 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 3mgx s PHE 393 CO 0.03 0.08 -0.05 0.95 -0.10 0.00 0.00 175.22 176.13 3mgx s THR 394 N 0.23 0.72 0.00 0.64 -4.23 -0.94 -4.28 115.64 107.77 3mgx s THR 394 Ca -0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 3mgx s THR 394 Cb -0.13 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 72.93 3mgx s THR 394 CO 0.02 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 3mgx n GLY 395 N 4.73 5.08 3.55 3.99 0.00 -1.26 -0.25 105.19 121.04 3mgx n GLY 395 Ca -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3mgx n GLY 395 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19