#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 5.19 -0.34 0.00 1.01 -1.26 -5.00 120.40 120.00 3mgx s VAL 7 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3mgx s VAL 7 Cb 0.00 -3.35 0.15 0.00 0.00 0.00 0.00 36.38 33.18 3mgx s VAL 7 CO 0.00 0.46 0.34 -0.62 0.00 0.00 0.00 175.10 175.28 3mgx s ASP 8 N 0.25 1.45 0.00 3.32 3.68 -1.26 0.10 116.67 124.21 3mgx s ASP 8 Ca 0.07 -1.29 0.29 0.00 2.13 0.00 0.00 52.55 53.74 3mgx s ASP 8 Cb -0.12 0.50 1.61 0.00 -1.45 0.00 0.00 42.92 43.46 3mgx s ASP 8 CO -0.01 -0.31 2.03 0.18 0.13 0.00 0.00 175.17 177.19 3mgx n LEU 9 N 4.65 0.00 -0.38 -1.34 4.77 -1.26 -2.68 117.00 120.75 3mgx n LEU 9 Ca 0.06 0.11 0.14 0.00 -0.03 0.00 0.00 56.01 56.29 3mgx n LEU 9 Cb 0.45 -0.11 0.61 0.00 -2.33 0.00 0.00 43.42 42.04 3mgx n LEU 9 CO 0.06 -0.01 0.92 0.61 -1.33 0.00 0.00 177.39 177.63 3mgx n GLY 10 N 0.91 -0.21 3.63 -0.72 0.00 -1.26 -4.84 105.19 102.71 3mgx n GLY 10 Ca 0.18 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.98 6.59 0.60 1.61 2.47 -1.09 -4.84 114.94 118.30 3mgx s ASN 11 Ca 0.40 1.39 0.38 0.00 0.42 0.00 0.00 52.86 55.45 3mgx s ASN 11 Cb 0.21 -2.54 1.80 0.00 -1.45 0.00 0.00 41.25 39.27 3mgx s ASN 11 CO 0.34 -1.12 2.15 -0.65 -3.72 0.00 0.00 177.10 174.10 3mgx h PRO 12 N 9.70 0.00 0.00 0.43 0.11 -1.88 -2.61 132.00 137.74 3mgx h PRO 12 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3mgx h PRO 12 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3mgx h PRO 12 CO 1.02 0.01 0.00 -0.44 -0.21 0.00 0.00 178.00 178.38 3mgx h ASP 13 N 0.00 0.00 1.05 -2.05 3.32 -1.93 -2.29 116.42 114.52 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 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3mgx h ASP 13 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 3mgx n LEU 14 N -2.31 0.31 -0.13 1.55 4.77 -0.98 -3.91 117.00 116.30 3mgx n LEU 14 Ca 0.01 0.54 0.04 0.00 -0.03 0.00 0.00 56.01 56.57 3mgx n LEU 14 Cb 0.20 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 40.89 3mgx n LEU 14 CO 0.19 -0.15 0.43 -1.22 -1.33 0.00 0.00 177.39 175.31 3mgx n TYR 15 N -1.80 0.00 0.23 -1.77 4.01 -0.86 -4.30 117.16 112.66 3mgx n TYR 15 Ca 0.06 -0.50 0.12 0.00 -0.16 0.00 0.00 57.90 57.42 3mgx n TYR 15 Cb 0.33 -0.08 0.27 0.00 -0.31 0.00 0.00 39.34 39.55 3mgx n TYR 15 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3mgx h THR 16 N 1.90 0.08 -1.66 -0.72 1.35 -1.67 -3.46 112.91 108.73 3mgx h THR 16 Ca 0.00 -1.00 -0.63 0.00 -0.55 0.00 0.00 66.41 64.24 3mgx h THR 16 Cb 0.94 1.93 -0.13 0.00 -1.73 0.00 0.00 68.15 69.16 3mgx h THR 16 CO 0.00 0.04 -0.59 0.42 -0.25 0.00 0.00 175.52 175.14 3mgx s THR 17 N -3.29 2.02 -1.61 6.82 -4.23 -1.26 -4.38 115.64 109.71 3mgx s THR 17 Ca 0.05 -1.98 0.22 0.00 -1.18 0.00 0.00 61.69 58.80 3mgx s THR 17 Cb 0.06 -3.00 0.45 0.00 1.34 0.00 0.00 72.50 71.36 3mgx s THR 17 CO 0.65 -0.00 1.69 0.18 -0.54 0.00 0.00 174.62 176.60 3mgx n LEU 18 N -0.99 0.00 0.26 4.79 4.77 -1.26 -2.79 117.00 121.78 3mgx n LEU 18 Ca -0.05 0.20 0.17 0.00 -0.03 0.00 0.00 56.01 56.30 3mgx n LEU 18 Cb 0.67 -0.20 0.90 0.00 -2.33 0.00 0.00 43.42 42.46 3mgx n LEU 18 CO 0.49 -0.06 1.02 -0.33 -1.33 0.00 0.00 177.39 177.18 3mgx h GLU 19 N 0.00 0.00 -0.68 3.23 5.08 -1.96 -2.59 114.58 117.66 3mgx h GLU 19 Ca 0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 3mgx h GLU 19 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3mgx h GLU 19 CO 0.00 0.00 0.46 0.07 -1.00 0.00 0.00 179.01 178.54 3mgx h ARG 20 N 0.00 0.24 -0.06 2.33 0.11 -1.70 -1.81 114.38 113.48 3mgx h ARG 20 Ca 0.00 -0.01 -0.12 0.00 0.10 0.00 0.00 59.98 59.94 3mgx h ARG 20 Cb 0.07 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 3mgx h ARG 20 CO 0.00 0.16 -0.52 0.45 0.10 0.00 0.00 179.97 180.17 3mgx h HIS 21 N 0.25 0.21 -0.21 4.08 3.86 -1.75 -1.33 115.15 120.26 3mgx h HIS 21 Ca 0.33 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 3mgx h HIS 21 Cb 0.93 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 3mgx h HIS 21 CO -0.00 0.65 -0.06 0.00 0.86 0.00 0.00 177.93 179.38 3mgx h ALA 22 N 1.34 0.29 -0.40 2.45 0.00 -1.52 0.19 119.26 121.60 3mgx h ALA 22 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3mgx h ALA 22 Cb 0.96 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3mgx h ALA 22 CO 0.08 0.09 0.22 -0.09 0.00 0.00 0.00 179.25 179.54 3mgx h ARG 23 N 0.13 0.43 -0.23 0.00 2.43 -1.46 -2.10 114.38 113.58 3mgx h ARG 23 Ca 0.05 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3mgx h ARG 23 Cb 0.53 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3mgx h ARG 23 CO 0.02 0.28 -0.21 -1.49 -1.51 0.00 0.00 179.97 177.06 3mgx h TRP 24 N 0.44 0.46 -0.12 2.20 6.55 -1.15 -2.81 115.95 121.52 3mgx h TRP 24 Ca 0.17 -0.09 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 3mgx h TRP 24 Cb 0.05 -0.12 -0.00 0.00 -0.86 0.00 0.00 29.16 28.22 3mgx h TRP 24 CO -0.09 0.61 0.03 -0.09 -1.05 0.00 0.00 178.44 177.85 3mgx h ARG 25 N 0.38 0.19 -0.33 0.49 9.65 -0.28 -0.98 114.38 123.50 3mgx h ARG 25 Ca 0.06 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.94 3mgx h ARG 25 Cb 0.59 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.10 3mgx h ARG 25 CO 0.04 0.37 0.05 1.49 2.80 0.00 0.00 179.97 184.72 3mgx h GLU 26 N -0.01 0.16 -0.09 0.20 4.81 -1.33 -1.30 114.58 117.02 3mgx h GLU 26 Ca 0.04 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 3mgx h GLU 26 Cb 0.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3mgx h GLU 26 CO 0.00 0.11 -0.69 -0.07 -0.73 0.00 0.00 179.01 177.62 3mgx h LEU 27 N 0.16 0.46 -0.12 1.64 3.38 -1.45 -2.90 115.31 116.48 3mgx h LEU 27 Ca 0.16 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 3mgx h LEU 27 Cb 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3mgx h LEU 27 CO -0.21 1.01 -0.42 0.00 0.09 0.00 0.00 178.44 178.91 3mgx h ALA 28 N 0.98 0.21 -0.08 1.53 0.00 -1.06 0.10 119.26 120.95 3mgx h ALA 28 Ca -0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 3mgx h ALA 28 Cb 1.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3mgx h ALA 28 CO 0.12 0.33 -0.19 0.00 0.00 0.00 0.00 179.25 179.52 3mgx h ALA 29 N 0.50 1.55 -0.02 0.00 0.00 -1.27 -1.95 119.26 118.07 3mgx h ALA 29 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3mgx h ALA 29 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3mgx h ALA 29 CO 0.09 0.33 -0.08 -0.85 0.00 0.00 0.00 179.25 178.74 3mgx n GLU 30 N -4.26 1.67 -3.64 0.00 0.28 -1.10 -4.97 120.64 108.62 3mgx n GLU 30 Ca -0.01 -1.15 -0.22 0.00 -0.16 0.00 0.00 57.16 55.62 3mgx n GLU 30 Cb 0.28 -1.48 0.04 0.00 1.43 0.00 0.00 31.44 31.72 3mgx n GLU 30 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3mgx n ASP 31 N 0.34 -2.23 -4.77 -1.84 2.03 -0.73 -4.94 116.55 104.40 3mgx n ASP 31 Ca 0.16 -0.82 -0.34 0.00 0.52 0.00 0.00 54.79 54.31 3mgx n ASP 31 Cb 0.43 -4.16 0.02 0.00 -0.72 0.00 0.00 41.12 36.69 3mgx n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mgx s ALA 32 N -3.60 2.61 -0.33 -1.67 0.00 0.32 -4.96 121.76 114.13 3mgx s ALA 32 Ca 0.10 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.75 3mgx s ALA 32 Cb -0.03 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.86 3mgx s ALA 32 CO 0.81 -0.97 0.10 1.41 0.00 0.00 0.00 175.76 177.10 3mgx s MET 33 N -3.67 1.03 -0.18 0.00 1.75 -1.26 -4.17 119.30 112.81 3mgx s MET 33 Ca 0.70 -1.44 -0.03 0.00 -1.25 0.00 0.00 55.69 53.66 3mgx s MET 33 Cb -0.22 -2.45 -0.02 0.00 2.84 0.00 0.00 34.83 34.99 3mgx s MET 33 CO 0.33 -0.99 -0.04 0.08 -0.65 0.00 0.00 175.02 173.75 3mgx s VAL 34 N 1.25 3.66 -0.02 10.11 1.01 -0.86 -4.90 120.40 130.64 3mgx s VAL 34 Ca 0.11 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 3mgx s VAL 34 Cb -0.19 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3mgx s VAL 34 CO -0.17 0.47 0.68 0.86 0.00 0.00 0.00 175.10 176.94 3mgx s TRP 35 N 0.74 3.65 -0.15 5.22 -0.11 -1.26 -0.71 118.94 126.32 3mgx s TRP 35 Ca -0.02 1.28 -0.04 0.00 1.22 0.00 0.00 56.10 58.54 3mgx s TRP 35 Cb -0.15 -2.75 -0.03 0.00 -1.50 0.00 0.00 33.47 29.04 3mgx s TRP 35 CO 0.02 0.21 0.01 -1.12 -4.62 0.00 0.00 176.95 171.45 3mgx s SER 36 N 0.30 5.19 0.66 5.86 0.01 0.33 -4.76 113.70 121.28 3mgx s SER 36 Ca 0.36 0.01 -0.13 0.00 1.31 0.00 0.00 55.95 57.50 3mgx s SER 36 Cb -0.18 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 3mgx s SER 36 CO 0.19 0.22 1.06 -1.81 0.41 0.00 0.00 173.24 173.31 3mgx s ASP 37 N 0.06 5.57 0.60 2.44 1.01 0.29 -2.41 116.67 124.23 3mgx s ASP 37 Ca 0.02 1.67 -0.18 0.00 0.71 0.00 0.00 52.55 54.77 3mgx s ASP 37 Cb -0.13 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3mgx s ASP 37 CO 0.02 -1.31 0.97 -2.65 0.21 0.00 0.00 175.17 172.40 3mgx n PRO 38 N -2.73 0.89 0.00 8.23 -0.02 -1.26 -4.66 135.00 135.46 3mgx n PRO 38 Ca 0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3mgx n PRO 38 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.28 -1.51 0.18 -1.23 0.00 -1.26 -4.88 105.19 97.77 3mgx n GLY 39 Ca 0.14 0.50 -0.04 0.00 0.00 0.00 0.00 46.02 46.62 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 0.28 -3.38 1.61 4.64 -1.88 -3.43 113.55 111.39 3mgx h SER 40 Ca 0.00 -0.14 -0.66 0.00 -0.47 0.00 0.00 61.79 60.52 3mgx h SER 40 Cb 0.00 -0.08 -0.13 0.00 -0.31 0.00 0.00 62.40 61.88 3mgx h SER 40 CO 0.00 0.75 -0.66 -0.94 -0.87 0.00 0.00 176.83 175.11 3mgx s SER 41 N -6.89 5.02 0.34 4.97 1.04 -1.26 -4.34 113.70 112.58 3mgx s SER 41 Ca -0.04 -0.12 0.11 0.00 0.48 0.00 0.00 55.95 56.38 3mgx s SER 41 Cb 0.13 -1.23 0.63 0.00 0.10 0.00 0.00 66.02 65.64 3mgx s SER 41 CO 0.79 0.22 1.78 1.55 0.98 0.00 0.00 173.24 178.56 3mgx h PRO 42 N 3.84 0.08 0.00 4.02 0.13 -1.84 -3.35 132.00 134.88 3mgx h PRO 42 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3mgx h PRO 42 Cb 1.17 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3mgx h PRO 42 CO 0.58 0.45 0.00 -1.13 -0.23 0.00 0.00 178.00 177.68 3mgx n SER 43 N -4.07 0.72 0.00 1.44 3.41 -1.26 -4.79 113.62 109.07 3mgx n SER 43 Ca -0.02 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3mgx n SER 43 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3mgx n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mgx n GLY 44 N -0.16 -0.88 3.50 5.00 0.00 -1.26 -4.69 105.19 106.71 3mgx n GLY 44 Ca 0.00 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.89 -0.63 0.40 1.61 -0.71 -1.01 -4.65 117.98 111.09 3mgx s PHE 45 Ca 0.00 1.02 -0.07 0.00 -1.04 0.00 0.00 56.93 56.83 3mgx s PHE 45 Cb 0.00 0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 3mgx s PHE 45 CO 0.00 -0.63 0.72 -1.58 -1.34 0.00 0.00 175.22 172.39 3mgx s TRP 46 N -1.47 3.50 -0.01 3.49 0.52 -0.54 -0.52 118.94 123.91 3mgx s TRP 46 Ca -0.10 0.87 0.01 0.00 0.02 0.00 0.00 56.10 56.90 3mgx s TRP 46 Cb -0.00 -2.31 0.00 0.00 -1.15 0.00 0.00 33.47 30.01 3mgx s TRP 46 CO 0.07 -0.08 -0.04 -1.12 0.02 0.00 0.00 176.95 175.80 3mgx s SER 47 N -3.44 0.54 0.21 2.95 0.01 0.11 -0.03 113.70 114.05 3mgx s SER 47 Ca 0.48 -0.08 0.10 0.00 1.31 0.00 0.00 55.95 57.77 3mgx s SER 47 Cb -0.10 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 3mgx s SER 47 CO 0.35 0.02 -0.14 0.68 0.41 0.00 0.00 173.24 174.56 3mgx s VAL 48 N 0.14 2.89 0.00 3.43 -7.23 -0.17 -2.02 120.40 117.43 3mgx s VAL 48 Ca -0.01 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3mgx s VAL 48 Cb -0.04 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.45 3mgx s VAL 48 CO -0.00 -0.19 0.00 0.49 -0.31 0.00 0.00 175.10 175.09 3mgx n PHE 49 N -0.12 0.00 -1.26 2.82 3.72 -1.26 -2.51 117.46 118.86 3mgx n PHE 49 Ca -0.10 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.98 3mgx n PHE 49 Cb 0.57 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.21 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 -2.81 4.23 0.20 4.37 1.04 -1.26 -1.60 113.70 117.87 3mgx s SER 50 Ca 0.00 2.01 -0.11 0.00 0.48 0.00 0.00 55.95 58.33 3mgx s SER 50 Cb 0.00 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.70 3mgx s SER 50 CO 0.00 -2.22 1.83 -0.74 0.98 0.00 0.00 173.24 173.09 3mgx h HIS 51 N -0.96 0.93 -0.28 5.02 2.76 -1.87 -2.12 115.15 118.64 3mgx h HIS 51 Ca -0.45 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 57.56 3mgx h HIS 51 Cb 1.25 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.90 3mgx h HIS 51 CO 0.54 0.64 -0.48 0.07 -1.30 0.00 0.00 177.93 177.40 3mgx h ARG 52 N 0.96 0.75 -0.32 5.26 0.11 -1.93 -2.64 114.38 116.57 3mgx h ARG 52 Ca 0.25 -0.44 -0.15 0.00 0.10 0.00 0.00 59.98 59.74 3mgx h ARG 52 Cb -0.02 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 3mgx h ARG 52 CO -0.05 1.06 -0.41 0.00 0.10 0.00 0.00 179.97 180.67 3mgx h ALA 53 N 0.86 0.66 -0.42 0.08 0.00 -1.91 -1.99 119.26 116.54 3mgx h ALA 53 Ca 0.03 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 3mgx h ALA 53 Cb 1.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3mgx h ALA 53 CO 0.10 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.97 3mgx h ALA 55 N 0.87 1.02 -0.45 0.00 0.00 -1.45 -2.45 119.26 116.81 3mgx h ALA 55 Ca 0.11 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3mgx h ALA 55 Cb 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3mgx h ALA 55 CO 0.03 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.87 3mgx h ALA 56 N 1.22 0.61 -0.18 0.00 0.00 -1.30 -0.94 119.26 118.68 3mgx h ALA 56 Ca 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3mgx h ALA 56 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3mgx h ALA 56 CO 0.05 0.41 -0.17 0.28 0.00 0.00 0.00 179.25 179.81 3mgx h VAL 57 N 0.65 1.21 -0.07 0.00 2.07 -1.33 -2.92 116.25 115.86 3mgx h VAL 57 Ca 0.13 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3mgx h VAL 57 Cb 0.50 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3mgx h VAL 57 CO 0.02 0.30 0.00 0.18 0.02 0.00 0.00 177.57 178.09 3mgx n LEU 58 N -4.22 2.51 -4.76 2.57 4.77 -0.93 -4.82 117.00 112.12 3mgx n LEU 58 Ca -0.01 -0.88 -0.39 0.00 -0.03 0.00 0.00 56.01 54.71 3mgx n LEU 58 Cb 0.31 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3mgx n LEU 58 CO 0.39 0.44 0.98 0.00 -1.33 0.00 0.00 177.39 177.87 3mgx s ALA 59 N -1.93 2.96 0.43 -1.18 0.00 -0.37 -3.86 121.76 117.80 3mgx s ALA 59 Ca 0.33 1.30 0.14 0.00 0.00 0.00 0.00 51.96 53.72 3mgx s ALA 59 Cb 0.20 -3.54 1.01 0.00 0.00 0.00 0.00 23.12 20.79 3mgx s ALA 59 CO 0.31 -1.20 1.96 -1.35 0.00 0.00 0.00 175.76 175.48 3mgx h PRO 60 N 1.81 0.43 -0.00 0.00 0.11 -1.90 -2.11 132.00 130.33 3mgx h PRO 60 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3mgx h PRO 60 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mgx h PRO 60 CO 0.59 0.28 -0.26 -1.13 -0.21 0.00 0.00 178.00 177.27 3mgx n SER 61 N -4.47 0.29 -4.73 -2.05 3.41 -1.26 -4.87 113.62 99.93 3mgx n SER 61 Ca 0.11 0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.34 3mgx n SER 61 Cb 0.39 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.95 3.46 -1.44 7.33 0.00 -0.79 -4.93 121.76 122.44 3mgx s ALA 62 Ca 0.14 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 3mgx s ALA 62 Cb 0.18 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.88 3mgx s ALA 62 CO 0.61 -0.44 2.25 -2.30 0.00 0.00 0.00 175.76 175.87 3mgx n PRO 63 N 2.94 2.82 -4.06 0.00 -0.02 -1.26 -4.87 135.00 130.54 3mgx n PRO 63 Ca 0.06 -2.55 -0.10 0.00 -2.02 0.00 0.00 63.50 58.90 3mgx n PRO 63 Cb 0.44 -3.25 -0.11 0.00 -0.02 0.00 0.00 33.50 30.56 3mgx n PRO 63 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mgx s LEU 64 N 2.07 2.36 0.09 2.45 1.02 -1.26 -1.23 118.68 124.19 3mgx s LEU 64 Ca 0.48 -0.74 0.04 0.00 0.02 0.00 0.00 54.13 53.93 3mgx s LEU 64 Cb 0.14 0.04 -0.03 0.00 0.02 0.00 0.00 46.19 46.36 3mgx s LEU 64 CO -0.08 -0.39 -0.11 0.28 0.02 0.00 0.00 176.35 176.07 3mgx s THR 65 N -2.52 0.98 -2.49 5.49 -1.32 0.11 -4.88 115.64 111.02 3mgx s THR 65 Ca -0.03 -1.52 0.20 0.00 -1.21 0.00 0.00 61.69 59.13 3mgx s THR 65 Cb -0.02 -1.24 0.18 0.00 -1.51 0.00 0.00 72.50 69.91 3mgx s THR 65 CO -0.04 -0.45 1.16 -1.20 -2.21 0.00 0.00 174.62 171.88 3mgx n SER 66 N 0.81 2.74 -0.10 8.08 7.64 -1.26 -1.25 113.62 130.27 3mgx n SER 66 Ca -0.18 -1.85 0.14 0.00 1.01 0.00 0.00 58.87 57.99 3mgx n SER 66 Cb 0.56 -0.02 0.52 0.00 -1.01 0.00 0.00 64.21 64.27 3mgx n SER 66 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3mgx h GLU 67 N 3.96 0.35 -0.02 1.43 5.08 -1.87 -1.16 114.58 122.36 3mgx h GLU 67 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3mgx h GLU 67 Cb 0.85 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3mgx h GLU 67 CO 0.00 0.23 -0.23 0.66 -1.00 0.00 0.00 179.01 178.68 3mgx n TYR 68 N -4.46 0.00 0.00 4.33 4.02 -1.26 -4.06 117.16 115.72 3mgx n TYR 68 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 3mgx n TYR 68 Cb 0.46 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 3mgx n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mgx n GLY 69 N 1.33 3.98 0.14 2.72 0.00 -0.44 0.04 105.19 112.97 3mgx n GLY 69 Ca 0.13 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.53 1.15 -4.12 1.61 0.00 -1.26 -4.62 117.12 108.35 3mgx n MET 70 Ca 0.00 -2.22 -0.15 0.00 0.00 0.00 0.00 57.70 55.33 3mgx n MET 70 Cb 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 33.22 31.82 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 -2.25 0.69 0.15 3.17 -1.94 -1.26 0.42 119.30 118.28 3mgx s MET 71 Ca 0.24 -0.92 -0.34 0.00 -1.71 0.00 0.00 55.69 52.97 3mgx s MET 71 Cb 0.21 -0.49 -0.14 0.00 2.01 0.00 0.00 34.83 36.43 3mgx s MET 71 CO 0.02 0.09 1.57 -0.89 -0.01 0.00 0.00 175.02 175.81 3mgx n ILE 72 N 1.17 0.02 0.00 2.53 5.41 -1.26 -2.36 119.36 124.86 3mgx n ILE 72 Ca -0.21 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.54 3mgx n ILE 72 Cb 0.55 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 3mgx n ILE 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mgx n GLY 73 N 3.40 1.06 3.60 7.39 0.00 -1.26 -4.94 105.19 114.43 3mgx n GLY 73 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.20 2.86 0.00 1.61 0.08 -1.00 -4.56 117.98 115.78 3mgx s PHE 74 Ca 0.00 -0.07 0.00 0.00 0.12 0.00 0.00 56.93 56.98 3mgx s PHE 74 Cb 0.00 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 3mgx s PHE 74 CO 0.00 0.40 0.00 -0.40 -0.10 0.00 0.00 175.22 175.12 3mgx n ASP 75 N 1.20 0.00 -0.24 1.36 3.85 -0.49 -4.87 116.55 117.36 3mgx n ASP 75 Ca -0.14 -0.68 -0.07 0.00 -0.71 0.00 0.00 54.79 53.19 3mgx n ASP 75 Cb 0.52 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.34 3mgx n ASP 75 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 3mgx h ARG 76 N 0.00 1.01 0.00 0.11 2.43 -1.88 -2.74 114.38 113.31 3mgx h ARG 76 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3mgx h ARG 76 Cb 0.00 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3mgx h ARG 76 CO 0.00 0.84 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.54 3mgx h ASP 77 N 0.96 0.00 -2.34 -3.80 3.32 -1.97 -3.38 116.42 109.21 3mgx h ASP 77 Ca 0.23 -0.09 -0.59 0.00 0.02 0.00 0.00 57.03 56.59 3mgx h ASP 77 Cb 0.20 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.35 3mgx h ASP 77 CO -0.02 0.05 -0.87 1.41 -1.72 0.00 0.00 179.24 178.09 3mgx n HIS 78 N -2.27 0.93 -2.28 4.55 8.25 -1.06 -5.13 115.22 118.21 3mgx n HIS 78 Ca 0.04 -3.74 -0.32 0.00 -0.26 0.00 0.00 57.72 53.44 3mgx n HIS 78 Cb 0.45 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 3mgx n HIS 78 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3mgx s PRO 79 N -1.14 3.85 0.11 -0.41 0.04 -1.06 -1.39 135.00 135.00 3mgx s PRO 79 Ca 0.34 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 61.94 3mgx s PRO 79 Cb 0.09 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3mgx s PRO 79 CO -0.13 -0.34 1.43 0.34 0.04 0.00 0.00 177.00 178.34 3mgx s ASP 80 N -3.37 6.79 0.59 6.66 -1.08 0.11 -4.92 116.67 121.45 3mgx s ASP 80 Ca 0.58 2.35 0.29 0.00 -0.52 0.00 0.00 52.55 55.25 3mgx s ASP 80 Cb -0.10 -2.58 1.70 0.00 -1.46 0.00 0.00 42.92 40.47 3mgx s ASP 80 CO 0.37 -0.69 2.14 0.78 0.52 0.00 0.00 175.17 178.29 3mgx h ASN 81 N 6.96 0.00 0.19 -0.34 2.35 -1.95 -0.87 115.58 121.91 3mgx h ASN 81 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3mgx h ASN 81 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3mgx h ASN 81 CO 0.88 0.00 -0.10 -1.20 -1.65 0.00 0.00 177.43 175.36 3mgx n SER 82 N -3.81 0.82 -4.67 5.81 7.64 -1.26 -4.94 113.62 113.21 3mgx n SER 82 Ca 0.00 -0.95 -0.47 0.00 1.01 0.00 0.00 58.87 58.46 3mgx n SER 82 Cb 0.27 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 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 1.23 1.20 2.85 0.23 0.00 -0.33 -1.14 105.19 109.22 3mgx n GLY 83 Ca 0.16 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 3.67 2.02 0.62 -0.02 0.00 0.24 -4.80 105.19 106.92 3mgx n GLY 84 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 0.26 -2.90 1.61 1.74 -0.29 -4.88 116.66 110.20 3mgx n ARG 85 Ca 0.00 0.11 -0.40 0.00 -0.77 0.00 0.00 57.85 56.79 3mgx n ARG 85 Cb 0.00 -0.93 -0.05 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.27 4.57 0.22 5.56 1.75 -0.35 -4.81 119.30 123.97 3mgx s MET 86 Ca -0.16 1.20 -0.16 0.00 -1.25 0.00 0.00 55.69 55.32 3mgx s MET 86 Cb 0.06 -3.37 0.23 0.00 2.84 0.00 0.00 34.83 34.59 3mgx s MET 86 CO 0.21 0.26 1.59 1.98 -0.65 0.00 0.00 175.02 178.41 3mgx h MET 87 N 5.61 -0.06 0.00 4.11 4.05 -1.90 -0.65 114.93 126.08 3mgx h MET 87 Ca -0.44 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 3mgx h MET 87 Cb 1.21 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 3mgx h MET 87 CO 0.71 -0.04 0.00 -0.24 0.23 0.00 0.00 176.91 177.57 3mgx h VAL 88 N -0.07 0.00 -0.15 -5.77 3.04 -1.97 -2.29 116.25 109.05 3mgx h VAL 88 Ca 0.31 -0.33 -0.08 0.00 -1.01 0.00 0.00 66.70 65.59 3mgx h VAL 88 Cb 0.56 1.24 -0.05 0.00 -2.01 0.00 0.00 31.29 31.03 3mgx h VAL 88 CO -0.77 0.00 -0.36 1.33 -1.01 0.00 0.00 177.57 176.76 3mgx n VAL 89 N -2.86 2.35 -4.35 1.51 0.24 -0.31 -4.80 118.33 110.11 3mgx n VAL 89 Ca 0.00 -3.11 -0.19 0.00 -2.04 0.00 0.00 64.34 59.00 3mgx n VAL 89 Cb 0.23 -0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.20 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 -3.01 2.65 0.34 -1.34 1.04 -0.85 -0.59 113.70 111.93 3mgx s SER 90 Ca 0.41 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.86 3mgx s SER 90 Cb 0.39 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 3mgx s SER 90 CO -0.04 -0.15 0.13 -1.61 0.98 0.00 0.00 173.24 172.55 3mgx s GLU 91 N -3.58 1.70 5.47 4.02 0.41 -1.26 -4.66 118.70 120.81 3mgx s GLU 91 Ca 0.22 -1.99 0.00 0.00 -0.41 0.00 0.00 54.97 52.80 3mgx s GLU 91 Cb -0.01 -0.38 0.00 0.00 -1.78 0.00 0.00 34.13 31.95 3mgx s GLU 91 CO 0.07 -0.41 0.00 0.72 -0.49 0.00 0.00 175.26 175.15 3mgx n HIS 92 N -0.70 0.00 -0.27 1.61 8.25 -1.26 -2.78 115.22 120.07 3mgx n HIS 92 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 3mgx n HIS 92 Cb 0.65 0.04 0.11 0.00 1.12 0.00 0.00 29.99 31.91 3mgx n HIS 92 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 3mgx h GLU 93 N 0.00 1.13 -0.69 -0.41 9.09 -1.99 -1.55 114.58 120.17 3mgx h GLU 93 Ca 0.00 -0.18 0.01 0.00 0.05 0.00 0.00 59.36 59.24 3mgx h GLU 93 Cb 0.00 -0.20 -0.04 0.00 -1.65 0.00 0.00 28.75 26.87 3mgx h GLU 93 CO 0.00 0.90 0.45 0.37 0.05 0.00 0.00 179.01 180.78 3mgx h GLN 94 N 1.12 0.89 -0.42 1.06 5.75 -1.95 0.19 115.11 121.74 3mgx h GLN 94 Ca 0.26 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 3mgx h GLN 94 Cb 0.17 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 3mgx h GLN 94 CO -0.03 0.59 0.04 1.25 -2.65 0.00 0.00 178.83 178.03 3mgx h HIS 95 N 0.92 0.77 -0.51 3.99 2.76 -1.29 -2.11 115.15 119.69 3mgx h HIS 95 Ca 0.26 -0.12 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 3mgx h HIS 95 Cb -0.08 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 3mgx h HIS 95 CO -0.03 0.76 -0.10 -0.09 -1.30 0.00 0.00 177.93 177.17 3mgx h ARG 96 N 0.56 0.96 -0.46 5.26 2.43 -1.01 -1.73 114.38 120.39 3mgx h ARG 96 Ca 0.12 -0.36 0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3mgx h ARG 96 Cb 0.42 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 3mgx h ARG 96 CO 0.01 1.03 0.20 -0.22 -1.51 0.00 0.00 179.97 179.48 3mgx h LYS 97 N 0.82 0.38 -0.34 0.20 3.64 -0.58 -1.14 116.57 119.55 3mgx h LYS 97 Ca 0.13 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 3mgx h LYS 97 Cb 0.66 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3mgx h LYS 97 CO 0.05 0.25 -0.47 -0.07 -2.27 0.00 0.00 179.45 176.94 3mgx h LEU 98 N 0.39 0.98 -1.12 5.20 3.38 -1.23 -1.81 115.31 121.10 3mgx h LEU 98 Ca 0.21 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3mgx h LEU 98 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3mgx h LEU 98 CO -0.18 1.29 0.34 0.03 0.09 0.00 0.00 178.44 180.01 3mgx h ARG 99 N 0.72 0.96 -0.37 1.13 3.08 -1.23 -1.26 114.38 117.41 3mgx h ARG 99 Ca 0.04 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 3mgx h ARG 99 Cb 1.07 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3mgx h ARG 99 CO 0.11 0.73 -0.12 0.87 -1.07 0.00 0.00 179.97 180.48 3mgx h LYS 100 N 0.96 0.65 0.01 0.04 1.57 -0.91 0.13 116.57 119.02 3mgx h LYS 100 Ca 0.24 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3mgx h LYS 100 Cb 0.07 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.33 3mgx h LYS 100 CO -0.03 0.76 -0.41 -0.07 -0.57 0.00 0.00 179.45 179.12 3mgx h LEU 101 N 0.60 0.34 0.15 2.94 3.38 -1.09 -3.38 115.31 118.25 3mgx h LEU 101 Ca 0.10 -0.80 -0.31 0.00 0.09 0.00 0.00 57.88 56.96 3mgx h LEU 101 Cb 0.56 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.21 3mgx h LEU 101 CO 0.04 1.10 -1.49 0.58 0.09 0.00 0.00 178.44 178.75 3mgx h VAL 102 N -0.38 1.22 -0.81 1.22 2.07 -1.28 -3.40 116.25 114.89 3mgx h VAL 102 Ca -0.06 -2.80 0.15 0.00 0.82 0.00 0.00 66.70 64.81 3mgx h VAL 102 Cb 1.18 2.85 -0.15 0.00 -1.52 0.00 0.00 31.29 33.65 3mgx h VAL 102 CO 0.08 0.84 -0.28 1.23 0.02 0.00 0.00 177.57 179.46 3mgx h GLY 103 N 1.26 0.32 2.00 2.17 0.00 -0.91 -1.66 103.07 106.25 3mgx h GLY 103 Ca -0.24 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3mgx h GLY 103 CO 0.19 -0.27 -0.03 -2.55 0.00 0.00 0.00 176.54 173.89 3mgx h PRO 104 N -0.04 0.00 0.00 4.80 0.11 -1.78 -0.24 132.00 134.85 3mgx h PRO 104 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3mgx h PRO 104 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3mgx h PRO 104 CO -0.85 0.03 0.00 -0.07 -0.21 0.00 0.00 178.00 176.90 3mgx h LEU 105 N 0.00 0.00 -2.78 2.35 3.38 -1.57 -3.21 115.31 113.48 3mgx h LEU 105 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mgx h LEU 105 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3mgx h LEU 105 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3mgx n LEU 106 N -2.58 2.37 -4.63 1.67 4.77 -0.20 -4.73 117.00 113.67 3mgx n LEU 106 Ca 0.04 -1.91 -0.29 0.00 -0.03 0.00 0.00 56.01 53.82 3mgx n LEU 106 Cb 0.42 -0.10 0.18 0.00 -2.33 0.00 0.00 43.42 41.59 3mgx n LEU 106 CO 0.30 0.59 0.62 -0.94 -1.33 0.00 0.00 177.39 176.62 3mgx s SER 107 N -0.95 2.49 0.31 -1.43 1.04 -0.58 -4.29 113.70 110.29 3mgx s SER 107 Ca 0.11 1.58 -0.00 0.00 0.48 0.00 0.00 55.95 58.11 3mgx s SER 107 Cb 0.06 -2.24 0.51 0.00 0.10 0.00 0.00 66.02 64.45 3mgx s SER 107 CO 0.08 -3.27 1.97 -0.09 0.98 0.00 0.00 173.24 172.91 3mgx h ARG 108 N -1.98 1.01 -0.30 4.02 2.43 -1.91 0.25 114.38 117.89 3mgx h ARG 108 Ca -0.53 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.55 3mgx h ARG 108 Cb 1.30 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3mgx h ARG 108 CO 0.51 0.67 0.04 0.00 -1.51 0.00 0.00 179.97 179.69 3mgx h ALA 109 N 1.52 0.39 -0.53 2.80 0.00 -1.93 -1.11 119.26 120.41 3mgx h ALA 109 Ca 0.30 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3mgx h ALA 109 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3mgx h ALA 109 CO -0.07 0.09 0.02 0.00 0.00 0.00 0.00 179.25 179.28 3mgx h ALA 110 N 0.87 1.04 -0.03 0.00 0.00 -1.67 -2.88 119.26 116.60 3mgx h ALA 110 Ca 0.09 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3mgx h ALA 110 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3mgx h ALA 110 CO 0.01 0.60 -0.41 0.00 0.00 0.00 0.00 179.25 179.45 3mgx h ALA 111 N 1.19 1.27 -0.32 0.00 0.00 -0.41 -0.81 119.26 120.19 3mgx h ALA 111 Ca 0.16 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3mgx h ALA 111 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3mgx h ALA 111 CO 0.02 0.53 -0.10 0.00 0.00 0.00 0.00 179.25 179.70 3mgx h ARG 112 N 0.05 0.53 -0.15 0.00 3.08 -0.99 0.52 114.38 117.42 3mgx h ARG 112 Ca 0.00 -0.15 -0.21 0.00 0.07 0.00 0.00 59.98 59.69 3mgx h ARG 112 Cb 0.75 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.74 3mgx h ARG 112 CO 0.06 0.64 -0.74 0.87 -1.07 0.00 0.00 179.97 179.72 3mgx h LYS 113 N 0.49 0.72 0.00 0.04 6.56 -1.30 -3.17 116.57 119.91 3mgx h LYS 113 Ca 0.09 -0.57 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 3mgx h LYS 113 Cb 0.48 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 3mgx h LYS 113 CO 0.03 1.18 0.00 -0.07 -2.06 0.00 0.00 179.45 178.53 3mgx h LEU 114 N 0.50 0.00 -1.63 2.94 3.38 -0.87 -3.02 115.31 116.60 3mgx h LEU 114 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3mgx h LEU 114 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3mgx h LEU 114 CO 0.15 0.00 0.05 0.00 0.09 0.00 0.00 178.44 178.73 3mgx h ALA 115 N 2.15 1.71 -0.82 1.53 0.00 -0.86 -2.36 119.26 120.61 3mgx h ALA 115 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3mgx h ALA 115 Cb 0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3mgx h ALA 115 CO 0.00 0.23 0.51 0.93 0.00 0.00 0.00 179.25 180.92 3mgx h GLU 116 N 0.29 1.11 -0.53 0.00 4.39 -1.68 -2.53 114.58 115.62 3mgx h GLU 116 Ca 0.07 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3mgx h GLU 116 Cb 0.11 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3mgx h GLU 116 CO -0.00 0.77 0.04 -0.09 -1.16 0.00 0.00 179.01 178.57 3mgx h ARG 117 N 1.12 0.91 -0.39 2.33 9.65 -1.61 -2.68 114.38 123.71 3mgx h ARG 117 Ca 0.30 -0.27 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 3mgx h ARG 117 Cb -0.07 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 3mgx h ARG 117 CO -0.06 0.91 0.20 0.28 2.80 0.00 0.00 179.97 184.09 3mgx h VAL 118 N 0.78 0.98 -0.34 0.20 2.07 -1.35 0.28 116.25 118.86 3mgx h VAL 118 Ca 0.16 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3mgx h VAL 118 Cb 0.47 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3mgx h VAL 118 CO 0.02 0.07 0.08 -0.09 0.02 0.00 0.00 177.57 177.67 3mgx h ARG 119 N 0.40 0.19 -0.51 1.57 2.43 -1.34 0.80 114.38 117.92 3mgx h ARG 119 Ca 0.17 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3mgx h ARG 119 Cb 0.07 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3mgx h ARG 119 CO -0.12 0.13 0.07 0.82 -1.51 0.00 0.00 179.97 179.36 3mgx h ILE 120 N 0.20 1.25 -0.54 1.20 1.08 -1.23 -0.76 117.51 118.72 3mgx h ILE 120 Ca 0.16 -0.96 -0.04 0.00 -0.39 0.00 0.00 64.86 63.63 3mgx h ILE 120 Cb 0.18 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 3mgx h ILE 120 CO -0.21 0.34 0.18 -0.08 -0.69 0.00 0.00 178.15 177.70 3mgx h GLU 121 N 0.74 0.83 -0.66 2.37 4.57 -0.51 0.86 114.58 122.78 3mgx h GLU 121 Ca 0.15 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 3mgx h GLU 121 Cb 0.42 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3mgx h GLU 121 CO 0.01 0.75 0.11 0.28 -1.18 0.00 0.00 179.01 178.98 3mgx h VAL 122 N 0.75 1.26 -0.81 0.32 2.07 -0.78 -2.07 116.25 116.99 3mgx h VAL 122 Ca 0.18 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3mgx h VAL 122 Cb 0.25 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3mgx h VAL 122 CO -0.01 0.39 0.53 1.23 0.02 0.00 0.00 177.57 179.73 3mgx h GLY 123 N 1.05 1.16 1.19 2.17 0.00 -0.65 -1.04 103.07 106.94 3mgx h GLY 123 Ca 0.20 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 3mgx h GLY 123 CO 0.01 0.38 0.00 -1.80 0.00 0.00 0.00 176.54 175.14 3mgx h ASP 124 N 1.06 0.95 -0.30 0.19 3.58 -0.62 -2.22 116.42 119.06 3mgx h ASP 124 Ca 0.31 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 3mgx h ASP 124 Cb -0.07 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 3mgx h ASP 124 CO -0.09 1.00 0.12 0.58 -2.88 0.00 0.00 179.24 177.98 3mgx h VAL 125 N 0.90 1.17 0.00 2.25 2.07 -1.04 -2.80 116.25 118.80 3mgx h VAL 125 Ca 0.16 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3mgx h VAL 125 Cb 0.52 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3mgx h VAL 125 CO 0.03 0.18 0.00 0.18 0.02 0.00 0.00 177.57 177.98 3mgx n LEU 126 N -4.75 0.50 0.27 2.57 4.77 -0.42 -1.58 117.00 118.35 3mgx n LEU 126 Ca -0.02 0.63 0.16 0.00 -0.03 0.00 0.00 56.01 56.75 3mgx n LEU 126 Cb 0.13 -0.56 0.62 0.00 -2.33 0.00 0.00 43.42 41.28 3mgx n LEU 126 CO 0.36 -0.50 0.96 1.23 -1.33 0.00 0.00 177.39 178.11 3mgx h GLY 127 N 2.23 0.00 0.00 -0.72 0.00 -1.12 -3.18 103.07 100.28 3mgx h GLY 127 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3mgx h GLY 127 CO 0.00 0.00 -1.53 0.54 0.00 0.00 0.00 176.54 175.55 3mgx n ARG 128 N -3.13 1.60 0.06 4.80 1.74 -0.68 -4.74 116.66 116.31 3mgx n ARG 128 Ca 0.01 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 3mgx n ARG 128 Cb 0.34 -1.19 0.20 0.00 -1.02 0.00 0.00 32.46 30.78 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 -2.51 0.38 1.65 1.55 0.24 -0.62 -3.85 118.33 115.16 3mgx n VAL 129 Ca -0.14 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3mgx n VAL 129 Cb 0.71 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 3mgx n VAL 129 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3mgx n LEU 130 N -2.12 0.35 0.10 1.34 4.77 -1.20 -2.86 117.00 117.38 3mgx n LEU 130 Ca 0.04 -0.18 0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3mgx n LEU 130 Cb 0.44 -0.18 0.42 0.00 -2.33 0.00 0.00 43.42 41.77 3mgx n LEU 130 CO 0.36 0.09 0.89 0.47 -1.33 0.00 0.00 177.39 177.86 3mgx n ASP 131 N -0.32 0.75 0.00 -1.43 8.00 -1.25 -4.77 116.55 117.53 3mgx n ASP 131 Ca 0.00 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.08 3mgx n ASP 131 Cb 0.09 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 3mgx n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgx n GLY 132 N 1.21 0.76 3.86 0.44 0.00 -1.14 -5.06 105.19 105.27 3mgx n GLY 132 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3mgx n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mgx s GLU 133 N -0.44 3.26 -0.02 1.61 2.02 -1.26 -4.60 118.70 119.27 3mgx s GLU 133 Ca 0.00 0.71 -0.30 0.00 0.02 0.00 0.00 54.97 55.40 3mgx s GLU 133 Cb 0.00 -2.05 -0.07 0.00 0.10 0.00 0.00 34.13 32.11 3mgx s GLU 133 CO 0.00 -0.81 1.82 0.08 0.02 0.00 0.00 175.26 176.37 3mgx s VAL 134 N -3.20 3.30 -0.07 2.63 1.01 -1.26 -4.57 120.40 118.24 3mgx s VAL 134 Ca 0.56 0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.96 3mgx s VAL 134 Cb -0.12 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 3mgx s VAL 134 CO 0.54 -0.04 -0.25 0.00 0.00 0.00 0.00 175.10 175.35 3mgx s ASP 136 N -0.06 6.19 0.51 0.00 -1.08 -1.26 -0.23 116.67 120.74 3mgx s ASP 136 Ca -0.07 -0.82 0.21 0.00 -0.52 0.00 0.00 52.55 51.35 3mgx s ASP 136 Cb -0.15 -2.47 1.35 0.00 -1.46 0.00 0.00 42.92 40.19 3mgx s ASP 136 CO 0.05 -1.59 2.11 0.00 0.52 0.00 0.00 175.17 176.27 3mgx h ALA 137 N 9.73 1.68 0.00 3.66 0.00 -1.61 -0.16 119.26 132.57 3mgx h ALA 137 Ca -0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3mgx h ALA 137 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3mgx h ALA 137 CO 1.22 0.10 -0.08 0.00 0.00 0.00 0.00 179.25 180.49 3mgx h ALA 138 N 1.92 1.06 0.00 0.00 0.00 -1.90 0.11 119.26 120.45 3mgx h ALA 138 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3mgx h ALA 138 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3mgx h ALA 138 CO 0.01 0.10 -1.17 0.25 0.00 0.00 0.00 179.25 178.44 3mgx n THR 139 N -3.27 0.17 0.03 0.00 -2.24 -0.98 -4.36 114.28 103.63 3mgx n THR 139 Ca -0.00 -0.11 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 3mgx n THR 139 Cb 0.30 -0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 3mgx n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mgx n ALA 140 N -2.08 2.57 0.04 6.98 0.00 -0.11 -4.57 120.51 123.34 3mgx n ALA 140 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3mgx n ALA 140 Cb 0.57 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.48 0.62 -0.21 0.00 5.41 -1.04 -4.68 119.36 116.98 3mgx n ILE 141 Ca -0.04 0.21 -0.07 0.00 1.00 0.00 0.00 62.75 63.84 3mgx n ILE 141 Cb 0.61 -1.41 -0.02 0.00 -0.71 0.00 0.00 39.64 38.12 3mgx n ILE 141 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3mgx h GLY 142 N 0.00 -0.34 2.00 7.39 0.00 -1.03 -2.64 103.07 108.46 3mgx h GLY 142 Ca 0.00 0.53 -0.10 0.00 0.00 0.00 0.00 47.33 47.76 3mgx h GLY 142 CO 0.00 -0.17 -0.47 -2.55 0.00 0.00 0.00 176.54 173.34 3mgx h PRO 143 N -0.20 0.00 0.05 4.80 0.11 -1.78 -3.37 132.00 131.61 3mgx h PRO 143 Ca 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 3mgx h PRO 143 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3mgx h PRO 143 CO -0.70 0.47 -0.02 0.00 -0.21 0.00 0.00 178.00 177.54 3mgx h ARG 144 N 0.00 -0.07 0.18 1.05 3.08 -1.74 -2.72 114.38 114.16 3mgx h ARG 144 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mgx h ARG 144 Cb 1.28 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3mgx h ARG 144 CO 0.06 0.12 -0.13 0.82 -1.07 0.00 0.00 179.97 179.77 3mgx h ILE 145 N -0.24 0.72 -0.35 2.04 5.03 -1.71 -1.72 117.51 121.26 3mgx h ILE 145 Ca -0.01 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.68 3mgx h ILE 145 Cb 0.22 0.72 -0.02 0.00 -3.03 0.00 0.00 36.82 34.70 3mgx h ILE 145 CO 0.01 0.00 -0.01 -0.65 -0.68 0.00 0.00 178.15 176.82 3mgx h PRO 146 N -0.32 0.56 -0.53 2.37 0.11 -1.74 -2.45 132.00 130.00 3mgx h PRO 146 Ca -0.01 -0.12 -0.11 0.00 0.11 0.00 0.00 66.00 65.87 3mgx h PRO 146 Cb 0.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3mgx h PRO 146 CO -0.00 0.59 -0.08 0.00 -0.21 0.00 0.00 178.00 178.29 3mgx h ALA 147 N 1.47 0.72 -0.60 -0.75 0.00 -1.33 -1.61 119.26 117.16 3mgx h ALA 147 Ca 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3mgx h ALA 147 Cb 0.35 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3mgx h ALA 147 CO 0.01 0.61 0.32 0.00 0.00 0.00 0.00 179.25 180.20 3mgx h ALA 148 N 0.92 0.77 -0.28 0.00 0.00 -1.15 -1.11 119.26 118.41 3mgx h ALA 148 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3mgx h ALA 148 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3mgx h ALA 148 CO 0.04 0.30 0.14 0.28 0.00 0.00 0.00 179.25 180.01 3mgx h VAL 149 N 0.81 1.14 -0.81 0.00 2.07 -1.31 -2.41 116.25 115.75 3mgx h VAL 149 Ca 0.21 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3mgx h VAL 149 Cb 0.06 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3mgx h VAL 149 CO -0.03 0.14 0.33 0.58 0.02 0.00 0.00 177.57 178.61 3mgx h VAL 150 N 0.33 1.26 -0.51 2.57 2.07 -1.19 -1.60 116.25 119.19 3mgx h VAL 150 Ca 0.10 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 66.89 3mgx h VAL 150 Cb 0.10 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 3mgx h VAL 150 CO -0.01 0.34 0.10 0.00 0.02 0.00 0.00 177.57 178.01 3mgx h GLU 152 N 0.24 0.88 -0.71 0.00 4.81 -0.97 0.57 114.58 119.40 3mgx h GLU 152 Ca 0.26 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3mgx h GLU 152 Cb 0.35 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3mgx h GLU 152 CO -0.34 0.92 0.34 0.82 -0.73 0.00 0.00 179.01 180.02 3mgx h ILE 153 N 0.81 1.23 0.00 2.32 2.04 -0.83 -2.61 117.51 120.47 3mgx h ILE 153 Ca 0.14 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3mgx h ILE 153 Cb 0.56 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3mgx h ILE 153 CO 0.03 0.28 0.00 0.18 0.00 0.00 0.00 178.15 178.64 3mgx n LEU 154 N -4.43 0.00 -0.72 1.44 4.77 -0.31 -1.09 117.00 116.67 3mgx n LEU 154 Ca 0.06 0.41 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 3mgx n LEU 154 Cb 0.13 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 3mgx n LEU 154 CO 0.39 -0.03 -0.08 0.61 -1.33 0.00 0.00 177.39 176.95 3mgx n GLY 155 N 1.21 0.19 3.67 -0.72 0.00 -0.54 -4.38 105.19 104.61 3mgx n GLY 155 Ca 0.09 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3mgx n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mgx s VAL 156 N -2.32 3.45 0.69 1.61 1.01 0.08 -4.98 120.40 119.94 3mgx s VAL 156 Ca 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 3mgx s VAL 156 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3mgx s VAL 156 CO 0.00 -0.04 1.14 -2.16 0.00 0.00 0.00 175.10 174.04 3mgx s PRO 157 N 3.77 2.52 0.28 2.72 0.04 -1.26 -4.71 135.00 138.36 3mgx s PRO 157 Ca 0.74 1.53 0.02 0.00 0.04 0.00 0.00 61.00 63.33 3mgx s PRO 157 Cb -0.35 -1.90 0.67 0.00 0.04 0.00 0.00 34.50 32.96 3mgx s PRO 157 CO 0.31 -1.49 1.68 0.00 0.04 0.00 0.00 177.00 177.54 3mgx h ALA 158 N -0.13 1.31 -0.00 8.56 0.00 -2.00 -0.94 119.26 126.05 3mgx h ALA 158 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3mgx h ALA 158 Cb 1.26 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3mgx h ALA 158 CO 0.52 -0.36 0.01 0.93 0.00 0.00 0.00 179.25 180.34 3mgx h GLU 159 N 0.34 0.00 -0.01 0.00 3.07 -2.03 -2.18 114.58 113.77 3mgx h GLU 159 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 3mgx h GLU 159 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3mgx h GLU 159 CO -0.55 0.00 -0.43 -0.25 -1.40 0.00 0.00 179.01 176.38 3mgx n ASP 160 N -3.73 1.47 0.16 1.42 8.00 -0.39 -4.70 116.55 118.79 3mgx n ASP 160 Ca -0.03 -1.24 -0.14 0.00 0.71 0.00 0.00 54.79 54.09 3mgx n ASP 160 Cb 0.09 0.58 -0.08 0.00 -0.02 0.00 0.00 41.12 41.69 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 1.46 -0.31 -0.69 -1.24 5.08 -1.09 -2.49 114.58 115.29 3mgx h GLU 161 Ca 0.00 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3mgx h GLU 161 Cb 0.53 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 3mgx h GLU 161 CO 0.00 -0.19 0.38 -0.44 -1.00 0.00 0.00 179.01 177.76 3mgx h ASP 162 N -0.35 0.56 0.07 1.42 3.45 -1.84 0.18 116.42 119.91 3mgx h ASP 162 Ca -0.03 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3mgx h ASP 162 Cb 0.27 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3mgx h ASP 162 CO 0.05 0.35 -0.04 -0.03 -1.57 0.00 0.00 179.24 178.00 3mgx h MET 163 N 0.69 -0.10 -0.42 3.56 4.05 -1.86 -1.97 114.93 118.88 3mgx h MET 163 Ca 0.32 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.65 3mgx h MET 163 Cb 0.23 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 3mgx h MET 163 CO -0.20 -0.07 -0.12 -0.07 0.23 0.00 0.00 176.91 176.68 3mgx h LEU 164 N -0.11 0.75 -0.36 3.39 3.38 -0.93 -2.05 115.31 119.37 3mgx h LEU 164 Ca -0.01 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3mgx h LEU 164 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3mgx h LEU 164 CO 0.01 0.89 -0.00 0.40 0.09 0.00 0.00 178.44 179.82 3mgx h ILE 165 N 0.68 1.26 -0.69 1.22 2.04 -0.60 0.34 117.51 121.75 3mgx h ILE 165 Ca 0.11 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3mgx h ILE 165 Cb 0.60 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3mgx h ILE 165 CO 0.04 0.33 0.41 0.44 0.00 0.00 0.00 178.15 179.37 3mgx h ASP 166 N 0.46 0.84 -0.48 1.72 3.32 -1.30 -0.80 116.42 120.18 3mgx h ASP 166 Ca 0.10 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3mgx h ASP 166 Cb 0.46 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3mgx h ASP 166 CO 0.02 0.66 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.10 3mgx h LEU 167 N 0.95 0.85 -0.39 1.55 3.38 -1.22 -2.58 115.31 117.85 3mgx h LEU 167 Ca 0.25 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3mgx h LEU 167 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3mgx h LEU 167 CO -0.05 0.97 0.21 0.74 0.09 0.00 0.00 178.44 180.40 3mgx h THR 168 N 0.72 1.16 -0.36 0.22 2.02 -0.77 0.25 112.91 116.15 3mgx h THR 168 Ca 0.13 -0.42 0.07 0.00 0.77 0.00 0.00 66.41 66.96 3mgx h THR 168 Cb 0.55 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 3mgx h THR 168 CO 0.03 0.16 -0.08 -1.13 0.37 0.00 0.00 175.52 174.88 3mgx h ASN 169 N 0.50 -0.31 -0.09 4.18 -0.73 -1.08 -2.71 115.58 115.35 3mgx h ASN 169 Ca 0.14 0.11 -0.15 0.00 1.87 0.00 0.00 56.30 58.27 3mgx h ASN 169 Cb 0.08 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 3mgx h ASN 169 CO -0.02 -0.11 -0.44 -0.74 -0.37 0.00 0.00 177.43 175.75 3mgx h HIS 170 N 0.02 0.76 -0.31 0.67 2.76 -1.25 -2.89 115.15 114.90 3mgx h HIS 170 Ca 0.18 -0.24 0.02 0.00 -2.20 0.00 0.00 60.37 58.13 3mgx h HIS 170 Cb 0.27 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 3mgx h HIS 170 CO -0.32 0.96 0.21 0.00 -1.30 0.00 0.00 177.93 177.48 3mgx h ALA 171 N 1.00 1.86 0.00 5.26 0.00 -0.62 -2.94 119.26 123.83 3mgx h ALA 171 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mgx h ALA 171 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3mgx h ALA 171 CO 0.09 0.11 -0.18 1.19 0.00 0.00 0.00 179.25 180.45 3mgx n PHE 172 N -4.49 0.00 -0.93 0.00 3.72 -1.16 -4.67 117.46 109.93 3mgx n PHE 172 Ca 0.02 -1.02 0.00 0.00 -0.05 0.00 0.00 57.45 56.40 3mgx n PHE 172 Cb 0.12 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3mgx n PHE 172 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mgx n GLY 173 N -1.20 1.61 3.63 1.37 0.00 -1.09 -4.96 105.19 104.54 3mgx n GLY 173 Ca 0.15 -1.84 -0.48 0.00 0.00 0.00 0.00 46.02 43.86 3mgx n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgx n GLY 174 N 5.00 0.65 0.23 -0.02 0.00 -1.26 -4.91 105.19 104.89 3mgx n GLY 174 Ca 0.00 0.61 -0.07 0.00 0.00 0.00 0.00 46.02 46.56 3mgx n GLY 174 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mgx h GLU 175 N 4.66 0.58 -0.36 1.61 3.07 -1.93 -3.20 114.58 119.00 3mgx h GLU 175 Ca -0.45 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.13 3mgx h GLU 175 Cb 1.30 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3mgx h GLU 175 CO 0.79 0.85 0.00 -0.25 -1.40 0.00 0.00 179.01 179.00 3mgx n ASP 176 N -4.05 3.11 -4.94 1.42 10.43 -1.26 -4.65 116.55 116.60 3mgx n ASP 176 Ca -0.01 -1.94 -0.24 0.00 2.57 0.00 0.00 54.79 55.17 3mgx n ASP 176 Cb 0.49 -0.23 0.01 0.00 1.84 0.00 0.00 41.12 43.22 3mgx n ASP 176 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3mgx s GLU 177 N -1.53 3.18 0.04 -1.24 2.02 -1.21 -5.10 118.70 114.86 3mgx s GLU 177 Ca 0.38 -0.37 0.05 0.00 0.02 0.00 0.00 54.97 55.05 3mgx s GLU 177 Cb 0.22 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 3mgx s GLU 177 CO 0.30 -0.21 -0.15 -0.51 0.02 0.00 0.00 175.26 174.71 3mgx s LEU 178 N -4.55 2.16 -0.13 1.80 1.43 -1.26 -4.31 118.68 113.81 3mgx s LEU 178 Ca 0.47 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3mgx s LEU 178 Cb -0.10 -0.68 0.05 0.00 0.03 0.00 0.00 46.19 45.49 3mgx s LEU 178 CO 0.39 0.06 0.06 0.12 0.23 0.00 0.00 176.35 177.21 3mgx s PHE 179 N -0.81 0.42 -1.47 0.29 2.19 -0.72 -4.82 117.98 113.06 3mgx s PHE 179 Ca 0.03 -0.30 -0.11 0.00 0.33 0.00 0.00 56.93 56.87 3mgx s PHE 179 Cb -0.08 -0.74 0.06 0.00 -1.31 0.00 0.00 43.02 40.95 3mgx s PHE 179 CO 0.01 -0.44 1.01 -0.25 1.83 0.00 0.00 175.22 177.38 3mgx n ASP 180 N 5.21 -4.81 -0.06 6.13 8.00 -1.26 -1.86 116.55 127.90 3mgx n ASP 180 Ca -0.07 -0.73 -0.01 0.00 0.71 0.00 0.00 54.79 54.70 3mgx n ASP 180 Cb 0.49 -4.17 -0.00 0.00 -0.02 0.00 0.00 41.12 37.42 3mgx n ASP 180 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mgx n GLY 181 N -1.75 0.42 3.69 0.44 0.00 -1.26 -5.02 105.19 101.71 3mgx n GLY 181 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.85 2.84 0.64 1.61 -1.94 -0.78 -5.10 119.30 115.73 3mgx s MET 182 Ca 0.00 -0.56 -0.09 0.00 -1.71 0.00 0.00 55.69 53.32 3mgx s MET 182 Cb 0.00 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 34.14 3mgx s MET 182 CO 0.00 0.64 1.01 0.95 -0.01 0.00 0.00 175.02 177.61 3mgx s THR 183 N -1.05 3.78 0.25 2.05 -4.23 -1.26 -1.75 115.64 113.41 3mgx s THR 183 Ca 0.18 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 3mgx s THR 183 Cb -0.11 -3.54 0.22 0.00 1.34 0.00 0.00 72.50 70.40 3mgx s THR 183 CO 0.09 -0.65 1.82 -0.65 -0.54 0.00 0.00 174.62 174.68 3mgx h PRO 184 N -0.41 0.80 -0.85 3.99 0.11 -1.76 -1.11 132.00 132.78 3mgx h PRO 184 Ca -0.45 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3mgx h PRO 184 Cb 1.24 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3mgx h PRO 184 CO 0.62 0.53 0.54 -0.09 -0.21 0.00 0.00 178.00 179.39 3mgx h ARG 185 N 0.83 0.99 -0.59 1.05 2.43 -1.88 -0.95 114.38 116.26 3mgx h ARG 185 Ca 0.40 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.44 3mgx h ARG 185 Cb 0.34 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3mgx h ARG 185 CO -0.24 0.65 0.08 1.96 -1.51 0.00 0.00 179.97 180.92 3mgx h GLN 186 N 1.02 0.98 -0.63 0.20 4.20 -1.75 -1.67 115.11 117.46 3mgx h GLN 186 Ca 0.35 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 3mgx h GLN 186 Cb 0.07 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3mgx h GLN 186 CO -0.14 0.93 0.13 0.00 -0.67 0.00 0.00 178.83 179.09 3mgx h ALA 187 N 1.01 1.05 -0.22 3.87 0.00 -0.88 -0.87 119.26 123.22 3mgx h ALA 187 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mgx h ALA 187 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3mgx h ALA 187 CO 0.01 0.62 0.14 1.25 0.00 0.00 0.00 179.25 181.27 3mgx h HIS 188 N 0.95 0.30 -0.78 0.00 -0.00 -0.99 -2.38 115.15 112.24 3mgx h HIS 188 Ca 0.20 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 3mgx h HIS 188 Cb 0.36 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.64 3mgx h HIS 188 CO 0.02 0.23 0.42 1.15 -0.00 0.00 0.00 177.93 179.75 3mgx h THR 189 N 0.28 1.24 -0.58 6.26 2.02 -1.07 -2.44 112.91 118.62 3mgx h THR 189 Ca 0.08 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.66 3mgx h THR 189 Cb 0.02 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3mgx h THR 189 CO -0.02 0.27 0.38 -0.08 0.37 0.00 0.00 175.52 176.45 3mgx h GLU 190 N 1.09 0.75 -0.43 6.66 4.57 -0.99 -0.80 114.58 125.44 3mgx h GLU 190 Ca 0.27 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.31 3mgx h GLU 190 Cb 0.05 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3mgx h GLU 190 CO -0.04 0.50 -0.12 0.82 -1.18 0.00 0.00 179.01 178.99 3mgx h ILE 191 N 0.77 1.27 -0.54 2.32 2.04 -1.01 -2.37 117.51 119.99 3mgx h ILE 191 Ca 0.21 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 3mgx h ILE 191 Cb -0.07 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3mgx h ILE 191 CO -0.05 0.42 0.19 -0.07 0.00 0.00 0.00 178.15 178.64 3mgx h LEU 192 N 0.66 0.73 -0.46 1.44 4.07 -0.88 0.16 115.31 121.03 3mgx h LEU 192 Ca 0.11 -0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 3mgx h LEU 192 Cb 0.66 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 3mgx h LEU 192 CO 0.04 0.68 0.13 0.58 -1.08 0.00 0.00 178.44 178.79 3mgx h VAL 193 N 0.78 1.23 -0.70 1.22 2.07 -1.12 -2.22 116.25 117.52 3mgx h VAL 193 Ca 0.18 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3mgx h VAL 193 Cb 0.19 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3mgx h VAL 193 CO -0.01 0.28 0.31 0.22 0.02 0.00 0.00 177.57 178.39 3mgx h TYR 194 N 0.62 1.01 -0.69 1.57 3.20 -0.83 -2.64 116.97 119.21 3mgx h TYR 194 Ca 0.15 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3mgx h TYR 194 Cb 0.30 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3mgx h TYR 194 CO 0.02 0.75 0.31 0.74 -1.64 0.00 0.00 178.16 178.34 3mgx h PHE 195 N 1.00 0.98 -0.83 -3.82 0.04 -0.47 -0.82 116.94 113.03 3mgx h PHE 195 Ca 0.24 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 3mgx h PHE 195 Cb 0.14 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 3mgx h PHE 195 CO 0.01 0.73 0.41 0.22 -0.60 0.00 0.00 178.31 179.08 3mgx h ASP 196 N 0.98 1.07 0.00 2.17 3.58 -1.09 0.59 116.42 123.72 3mgx h ASP 196 Ca 0.24 -0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 3mgx h ASP 196 Cb 0.13 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3mgx h ASP 196 CO -0.03 0.90 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.64 3mgx h GLU 197 N 1.18 0.41 -0.31 0.28 5.08 -1.06 -2.04 114.58 118.12 3mgx h GLU 197 Ca 0.29 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3mgx h GLU 197 Cb 0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3mgx h GLU 197 CO -0.04 0.65 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.54 3mgx h LEU 198 N 0.37 0.54 -0.45 1.33 3.38 -0.62 -2.54 115.31 117.33 3mgx h LEU 198 Ca 0.05 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.77 3mgx h LEU 198 Cb 0.66 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 3mgx h LEU 198 CO 0.05 0.73 0.12 0.40 0.09 0.00 0.00 178.44 179.83 3mgx h ILE 199 N 0.34 0.80 -0.71 1.22 2.04 -0.60 0.17 117.51 120.77 3mgx h ILE 199 Ca 0.09 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3mgx h ILE 199 Cb 0.46 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3mgx h ILE 199 CO 0.02 0.05 0.17 0.74 0.00 0.00 0.00 178.15 179.13 3mgx h THR 200 N 0.27 1.26 -0.17 -0.27 2.02 -1.41 -2.57 112.91 112.04 3mgx h THR 200 Ca 0.22 -0.98 -0.14 0.00 0.77 0.00 0.00 66.41 66.28 3mgx h THR 200 Cb 0.25 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3mgx h THR 200 CO -0.26 0.38 -0.49 0.00 0.37 0.00 0.00 175.52 175.52 3mgx h ALA 201 N 1.09 0.83 0.00 6.16 0.00 -0.96 -3.19 119.26 123.18 3mgx h ALA 201 Ca 0.22 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3mgx h ALA 201 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mgx h ALA 201 CO 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 179.25 179.78 3mgx h ARG 202 N 0.37 0.00 -0.16 0.00 2.47 -0.54 -1.96 114.38 114.56 3mgx h ARG 202 Ca 0.02 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.66 3mgx h ARG 202 Cb 0.99 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 3mgx h ARG 202 CO 0.09 0.14 -0.24 0.00 0.56 0.00 0.00 179.97 180.52 3mgx h ARG 203 N 0.00 0.28 0.00 0.04 3.08 -1.44 -2.16 114.38 114.17 3mgx h ARG 203 Ca -0.00 -0.09 -0.24 0.00 0.07 0.00 0.00 59.98 59.71 3mgx h ARG 203 Cb 0.93 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 3mgx h ARG 203 CO 0.02 0.51 -2.03 0.36 -1.07 0.00 0.00 179.97 177.76 3mgx n LYS 204 N -4.16 0.66 -3.49 0.04 2.85 -1.19 -4.68 118.16 108.19 3mgx n LYS 204 Ca -0.01 0.03 -0.27 0.00 -1.05 0.00 0.00 58.31 57.02 3mgx n LYS 204 Cb 0.36 -1.61 -0.10 0.00 -0.65 0.00 0.00 35.03 33.04 3mgx n LYS 204 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3mgx n GLU 205 N -2.70 1.03 -2.59 -1.58 1.02 -0.74 -5.12 120.64 109.95 3mgx n GLU 205 Ca -0.20 -3.72 -0.37 0.00 -0.02 0.00 0.00 57.16 52.84 3mgx n GLU 205 Cb 0.96 -1.82 -0.05 0.00 -0.02 0.00 0.00 31.44 30.51 3mgx n GLU 205 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3mgx s PRO 206 N -0.93 4.28 0.00 3.49 0.02 -0.82 -4.46 135.00 136.60 3mgx s PRO 206 Ca 0.32 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.83 3mgx s PRO 206 Cb 0.06 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.95 3mgx s PRO 206 CO -0.15 -0.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.90 3mgx n GLY 207 N 0.41 5.21 0.74 0.52 0.00 -1.26 -5.05 105.19 105.76 3mgx n GLY 207 Ca 0.04 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.57 3mgx n GLY 207 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mgx n ASP 208 N 0.00 2.81 -4.23 1.61 8.00 -1.26 -4.67 116.55 118.80 3mgx n ASP 208 Ca 0.00 -1.84 -0.30 0.00 0.71 0.00 0.00 54.79 53.37 3mgx n ASP 208 Cb 0.00 -0.18 0.19 0.00 -0.02 0.00 0.00 41.12 41.11 3mgx n ASP 208 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3mgx s ASP 209 N -1.10 2.58 0.09 -2.24 -4.77 -1.26 -4.83 116.67 105.13 3mgx s ASP 209 Ca 0.25 0.58 -0.19 0.00 -3.30 0.00 0.00 52.55 49.89 3mgx s ASP 209 Cb 0.14 -0.84 -0.08 0.00 -1.09 0.00 0.00 42.92 41.05 3mgx s ASP 209 CO 0.20 -3.09 1.60 0.25 0.70 0.00 0.00 175.17 174.83 3mgx h LEU 210 N -1.88 0.34 -0.23 2.11 5.85 -1.34 -1.66 115.31 118.50 3mgx h LEU 210 Ca -0.46 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.07 3mgx h LEU 210 Cb 1.28 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3mgx h LEU 210 CO 0.44 0.46 0.08 0.58 -0.34 0.00 0.00 178.44 179.66 3mgx h VAL 211 N 0.21 0.95 -0.54 1.05 2.07 -1.82 -1.34 116.25 116.83 3mgx h VAL 211 Ca 0.07 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3mgx h VAL 211 Cb 0.24 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3mgx h VAL 211 CO -0.00 0.04 0.26 0.28 0.02 0.00 0.00 177.57 178.16 3mgx h SER 212 N 0.20 0.35 -0.74 0.57 0.02 -1.86 -0.38 113.55 111.71 3mgx h SER 212 Ca 0.10 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3mgx h SER 212 Cb 0.07 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3mgx h SER 212 CO -0.10 0.24 0.48 0.74 -1.14 0.00 0.00 176.83 177.05 3mgx h THR 213 N 0.49 1.20 -0.23 -2.27 2.02 -0.91 -1.77 112.91 111.45 3mgx h THR 213 Ca 0.24 -0.38 -0.20 0.00 0.77 0.00 0.00 66.41 66.84 3mgx h THR 213 Cb 0.18 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3mgx h THR 213 CO -0.19 0.19 -0.65 -0.07 0.37 0.00 0.00 175.52 175.17 3mgx h LEU 214 N 1.01 0.96 -0.28 2.58 3.38 -0.87 -3.30 115.31 118.79 3mgx h LEU 214 Ca 0.27 -0.57 -0.20 0.00 0.09 0.00 0.00 57.88 57.47 3mgx h LEU 214 Cb -0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 3mgx h LEU 214 CO -0.06 1.37 -0.87 -0.37 0.09 0.00 0.00 178.44 178.60 3mgx h VAL 215 N 0.61 1.46 0.00 1.22 -1.51 -0.95 -3.17 116.25 113.90 3mgx h VAL 215 Ca -0.02 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 62.94 3mgx h VAL 215 Cb 1.27 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 32.84 3mgx h VAL 215 CO 0.14 0.74 0.00 0.35 -1.23 0.00 0.00 177.57 177.57 3mgx n THR 216 N -3.70 0.55 -2.82 7.19 -2.24 -0.68 -4.60 114.28 107.99 3mgx n THR 216 Ca -0.04 0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 3mgx n THR 216 Cb 0.80 -0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 3mgx n THR 216 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mgx s ASP 217 N -2.99 6.84 0.51 3.42 2.15 -1.20 -4.96 116.67 120.45 3mgx s ASP 217 Ca 0.10 0.97 0.30 0.00 0.43 0.00 0.00 52.55 54.36 3mgx s ASP 217 Cb 0.14 -2.46 1.17 0.00 -0.30 0.00 0.00 42.92 41.47 3mgx s ASP 217 CO 0.38 -0.65 1.92 -2.24 -0.17 0.00 0.00 175.17 174.41 3mgx h ASP 218 N 7.87 0.00 0.86 -0.34 3.04 -1.88 -3.20 116.42 122.78 3mgx h ASP 218 Ca -0.22 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.57 3mgx h ASP 218 Cb 1.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.37 3mgx h ASP 218 CO 0.93 0.06 -0.86 -2.24 -2.04 0.00 0.00 179.24 175.09 3mgx h ASP 219 N 0.00 0.00 -3.56 4.15 2.03 -1.95 -3.46 116.42 113.63 3mgx h ASP 219 Ca -0.00 -0.14 -0.52 0.00 -0.73 0.00 0.00 57.03 55.64 3mgx h ASP 219 Cb 0.61 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.09 3mgx h ASP 219 CO 0.01 0.07 0.38 -0.76 -1.03 0.00 0.00 179.24 177.91 3mgx s LEU 220 N -4.70 4.50 0.62 0.15 1.43 -1.21 -5.05 118.68 114.42 3mgx s LEU 220 Ca 0.03 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 3mgx s LEU 220 Cb 0.12 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 3mgx s LEU 220 CO 0.76 -0.09 1.03 -0.89 0.23 0.00 0.00 176.35 177.40 3mgx s THR 221 N -0.04 4.59 0.26 5.49 2.01 -1.26 -4.90 115.64 121.79 3mgx s THR 221 Ca 0.47 0.81 -0.02 0.00 0.31 0.00 0.00 61.69 63.27 3mgx s THR 221 Cb -0.24 -3.83 0.23 0.00 0.01 0.00 0.00 72.50 68.67 3mgx s THR 221 CO 0.31 -1.09 1.76 -0.29 -0.69 0.00 0.00 174.62 174.62 3mgx h ILE 222 N -0.34 0.72 -0.67 1.82 6.09 -1.99 -1.40 117.51 121.74 3mgx h ILE 222 Ca -0.44 -0.20 -0.07 0.00 -1.37 0.00 0.00 64.86 62.78 3mgx h ILE 222 Cb 1.20 0.08 -0.03 0.00 0.47 0.00 0.00 36.82 38.54 3mgx h ILE 222 CO 0.62 0.11 0.14 0.44 -3.07 0.00 0.00 178.15 176.39 3mgx h ASP 223 N 0.58 1.01 0.06 2.19 3.32 -2.00 -2.36 116.42 119.24 3mgx h ASP 223 Ca 0.45 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 3mgx h ASP 223 Cb 0.64 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3mgx h ASP 223 CO -0.37 0.99 -0.27 0.44 -1.72 0.00 0.00 179.24 178.31 3mgx h ASP 224 N 1.01 0.33 -0.08 6.45 5.19 -1.66 -1.06 116.42 126.61 3mgx h ASP 224 Ca 0.21 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 3mgx h ASP 224 Cb 0.38 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.80 3mgx h ASP 224 CO 0.01 0.60 -0.01 0.58 -3.12 0.00 0.00 179.24 177.29 3mgx h VAL 225 N 0.30 1.28 -0.23 -1.35 2.07 -1.11 -2.59 116.25 114.61 3mgx h VAL 225 Ca 0.04 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3mgx h VAL 225 Cb 0.63 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3mgx h VAL 225 CO 0.05 0.25 0.14 0.25 0.02 0.00 0.00 177.57 178.27 3mgx h LEU 226 N -0.18 0.27 -1.22 2.57 5.85 -1.27 -1.45 115.31 119.87 3mgx h LEU 226 Ca 0.02 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3mgx h LEU 226 Cb 0.40 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3mgx h LEU 226 CO 0.01 0.22 0.09 -0.07 -0.34 0.00 0.00 178.44 178.35 3mgx h LEU 227 N 0.29 0.58 0.00 2.25 3.38 -1.25 -0.73 115.31 119.83 3mgx h LEU 227 Ca 0.08 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3mgx h LEU 227 Cb -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3mgx h LEU 227 CO -0.02 0.59 -0.73 0.78 0.09 0.00 0.00 178.44 179.15 3mgx h ASN 228 N 0.61 0.00 -0.66 -0.43 2.35 -1.29 0.21 115.58 116.37 3mgx h ASN 228 Ca 0.14 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 3mgx h ASN 228 Cb 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3mgx h ASN 228 CO -0.00 0.69 0.17 0.00 -1.65 0.00 0.00 177.43 176.64 3mgx h ASP 230 N 1.01 0.79 -0.83 0.00 3.58 -0.81 -0.55 116.42 119.62 3mgx h ASP 230 Ca 0.22 -0.24 0.04 0.00 0.42 0.00 0.00 57.03 57.47 3mgx h ASP 230 Cb 0.34 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 3mgx h ASP 230 CO -0.00 0.92 0.52 -1.13 -2.88 0.00 0.00 179.24 176.67 3mgx h ASN 231 N 0.73 0.85 -0.25 2.28 -0.00 -0.84 0.14 115.58 118.49 3mgx h ASN 231 Ca 0.12 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.26 3mgx h ASN 231 Cb 0.58 -0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.73 3mgx h ASN 231 CO 0.04 0.57 -0.49 0.58 -0.00 0.00 0.00 177.43 178.13 3mgx h VAL 232 N 0.99 1.29 0.40 2.57 2.07 -1.22 0.24 116.25 122.59 3mgx h VAL 232 Ca 0.34 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 3mgx h VAL 232 Cb 0.07 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3mgx h VAL 232 CO -0.14 0.54 -0.29 0.25 0.02 0.00 0.00 177.57 177.96 3mgx h LEU 233 N 0.52 -0.73 0.34 2.57 5.85 -0.74 0.15 115.31 123.26 3mgx h LEU 233 Ca 0.01 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3mgx h LEU 233 Cb 1.09 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3mgx h LEU 233 CO 0.11 -0.44 -0.16 0.40 -0.34 0.00 0.00 178.44 178.01 3mgx h ILE 234 N -0.67 0.69 -0.80 4.05 2.04 -0.79 -2.90 117.51 119.13 3mgx h ILE 234 Ca -0.04 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.63 3mgx h ILE 234 Cb 0.57 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3mgx h ILE 234 CO 0.01 0.05 0.48 1.23 0.00 0.00 0.00 178.15 179.93 3mgx h GLY 235 N -0.60 1.21 2.00 5.37 0.00 -0.51 -0.66 103.07 109.89 3mgx h GLY 235 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3mgx h GLY 235 CO 0.08 0.21 0.00 -1.33 0.00 0.00 0.00 176.54 175.49 3mgx h GLY 236 N 0.86 0.00 0.00 4.60 0.00 -0.73 -3.41 103.07 104.39 3mgx h GLY 236 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3mgx h GLY 236 CO -0.19 0.00 -1.00 0.70 0.00 0.00 0.00 176.54 176.05 3mgx n ASN 237 N -2.50 1.32 -0.31 0.19 3.02 -0.97 -4.43 115.26 111.58 3mgx n ASN 237 Ca 0.04 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.56 3mgx n ASN 237 Cb 0.40 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.66 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 1.06 0.06 3.52 4.81 -1.34 -2.81 114.58 119.88 3mgx h GLU 238 Ca 0.00 -0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 58.89 3mgx h GLU 238 Cb 1.00 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3mgx h GLU 238 CO 0.00 0.70 -1.48 1.79 -0.73 0.00 0.00 179.01 179.30 3mgx h THR 239 N 1.09 0.87 -0.71 0.32 1.35 -1.80 -3.41 112.91 110.63 3mgx h THR 239 Ca 0.32 -2.27 0.05 0.00 -0.55 0.00 0.00 66.41 63.96 3mgx h THR 239 Cb -0.06 2.42 -0.04 0.00 -1.73 0.00 0.00 68.15 68.74 3mgx h THR 239 CO -0.09 0.57 0.47 0.74 -0.25 0.00 0.00 175.52 176.95 3mgx h THR 240 N -0.56 1.07 -0.76 6.82 2.02 -1.76 -1.82 112.91 117.93 3mgx h THR 240 Ca -0.36 -0.28 0.10 0.00 0.77 0.00 0.00 66.41 66.65 3mgx h THR 240 Cb 1.60 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 3mgx h THR 240 CO -0.07 0.15 0.50 0.08 0.37 0.00 0.00 175.52 176.55 3mgx h ARG 241 N 0.81 0.63 0.00 6.66 0.11 -1.67 -1.51 114.38 119.42 3mgx h ARG 241 Ca 0.29 -0.04 -0.16 0.00 0.10 0.00 0.00 59.98 60.17 3mgx h ARG 241 Cb 0.14 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 3mgx h ARG 241 CO -0.09 0.42 -0.79 0.45 0.10 0.00 0.00 179.97 180.06 3mgx h HIS 242 N 0.65 0.00 -0.46 4.08 3.86 -1.59 -1.39 115.15 120.31 3mgx h HIS 242 Ca 0.35 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.46 3mgx h HIS 242 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3mgx h HIS 242 CO -0.00 0.75 -0.11 0.00 0.86 0.00 0.00 177.93 179.43 3mgx h ALA 243 N 1.25 0.63 -0.13 2.45 0.00 -1.30 0.11 119.26 122.26 3mgx h ALA 243 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3mgx h ALA 243 Cb 1.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3mgx h ALA 243 CO 0.10 0.52 0.02 0.82 0.00 0.00 0.00 179.25 180.71 3mgx h ILE 244 N 0.72 1.22 -0.82 0.00 1.08 -1.25 -0.25 117.51 118.20 3mgx h ILE 244 Ca 0.12 -0.70 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 3mgx h ILE 244 Cb 0.65 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.79 3mgx h ILE 244 CO 0.04 0.21 0.48 0.74 -0.69 0.00 0.00 178.15 178.93 3mgx h THR 245 N -0.00 1.24 -0.76 -0.27 2.02 -1.27 -2.18 112.91 111.68 3mgx h THR 245 Ca 0.04 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3mgx h THR 245 Cb 0.30 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 3mgx h THR 245 CO 0.00 0.25 0.49 1.23 0.37 0.00 0.00 175.52 177.87 3mgx h GLY 246 N 1.14 1.08 0.98 2.16 0.00 -0.60 0.27 103.07 108.09 3mgx h GLY 246 Ca 0.29 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3mgx h GLY 246 CO -0.05 0.40 0.27 0.00 0.00 0.00 0.00 176.54 177.16 3mgx h ALA 247 N 1.51 0.60 -0.52 3.60 0.00 -0.44 0.18 119.26 124.21 3mgx h ALA 247 Ca 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3mgx h ALA 247 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3mgx h ALA 247 CO -0.06 0.12 0.27 0.28 0.00 0.00 0.00 179.25 179.86 3mgx h VAL 248 N 0.63 1.18 -0.91 0.00 2.07 -1.00 -1.67 116.25 116.56 3mgx h VAL 248 Ca 0.17 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3mgx h VAL 248 Cb 0.03 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 3mgx h VAL 248 CO -0.03 0.20 0.59 -0.74 0.02 0.00 0.00 177.57 177.61 3mgx h HIS 249 N 0.69 1.11 -0.36 1.57 6.17 -0.55 -2.12 115.15 121.66 3mgx h HIS 249 Ca 0.18 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.26 3mgx h HIS 249 Cb 0.08 -0.37 -0.01 0.00 2.52 0.00 0.00 27.41 29.62 3mgx h HIS 249 CO -0.01 0.64 0.09 0.00 0.71 0.00 0.00 177.93 179.37 3mgx h ALA 250 N 1.37 0.47 0.00 5.26 0.00 -0.37 -2.40 119.26 123.59 3mgx h ALA 250 Ca 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3mgx h ALA 250 Cb -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3mgx h ALA 250 CO -0.11 0.13 -0.08 -0.07 0.00 0.00 0.00 179.25 179.11 3mgx h LEU 251 N 0.42 0.00 0.00 0.00 3.38 -0.98 0.53 115.31 118.67 3mgx h LEU 251 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3mgx h LEU 251 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3mgx h LEU 251 CO -0.00 0.08 -0.98 0.00 0.09 0.00 0.00 178.44 177.63 3mgx h ALA 252 N 1.92 0.65 0.00 1.53 0.00 -1.16 -3.41 119.26 118.78 3mgx h ALA 252 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3mgx h ALA 252 Cb 0.22 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3mgx h ALA 252 CO 0.01 0.51 -1.12 0.25 0.00 0.00 0.00 179.25 178.90 3mgx n THR 253 N -2.92 0.01 -3.07 0.00 -2.24 -0.92 -4.62 114.28 100.53 3mgx n THR 253 Ca -0.03 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 3mgx n THR 253 Cb 0.71 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.16 4.87 -0.03 2.28 1.01 0.15 -5.02 120.40 121.50 3mgx s VAL 254 Ca -0.01 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 3mgx s VAL 254 Cb 0.02 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 3mgx s VAL 254 CO 0.10 -0.27 1.69 -2.84 0.00 0.00 0.00 175.10 173.78 3mgx s PRO 255 N 2.77 4.18 0.00 2.72 0.02 -1.26 -3.04 135.00 140.38 3mgx s PRO 255 Ca 0.27 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3mgx s PRO 255 Cb -0.14 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.42 3mgx s PRO 255 CO 0.14 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3mgx n GLY 256 N 4.15 1.99 0.13 0.52 0.00 -1.26 -4.95 105.19 105.78 3mgx n GLY 256 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.25 -0.98 0.99 5.85 -1.90 0.17 115.31 119.20 3mgx h LEU 257 Ca 0.00 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3mgx h LEU 257 Cb 0.00 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3mgx h LEU 257 CO 0.00 -0.13 -0.02 0.25 -0.34 0.00 0.00 178.44 178.20 3mgx h LEU 258 N -0.18 0.68 -0.34 2.25 5.85 -1.83 -0.81 115.31 120.93 3mgx h LEU 258 Ca 0.02 -0.16 -0.18 0.00 0.84 0.00 0.00 57.88 58.39 3mgx h LEU 258 Cb 0.20 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3mgx h LEU 258 CO -0.06 0.77 -0.57 0.74 -0.34 0.00 0.00 178.44 178.97 3mgx h THR 259 N 0.67 1.29 -0.11 1.05 2.02 -1.84 -2.96 112.91 113.02 3mgx h THR 259 Ca 0.13 -1.78 -0.08 0.00 0.77 0.00 0.00 66.41 65.45 3mgx h THR 259 Cb 0.44 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3mgx h THR 259 CO 0.02 0.57 -0.29 0.00 0.37 0.00 0.00 175.52 176.19 3mgx h ALA 260 N 0.75 1.31 -0.10 6.16 0.00 -0.22 -1.87 119.26 125.29 3mgx h ALA 260 Ca 0.01 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 3mgx h ALA 260 Cb 1.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3mgx h ALA 260 CO 0.12 0.47 -0.70 -0.07 0.00 0.00 0.00 179.25 179.08 3mgx h LEU 261 N 0.18 0.52 -0.12 0.00 3.38 -1.18 -0.45 115.31 117.65 3mgx h LEU 261 Ca 0.03 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 3mgx h LEU 261 Cb 0.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3mgx h LEU 261 CO 0.04 1.06 -0.31 -0.09 0.09 0.00 0.00 178.44 179.23 3mgx h ARG 262 N 0.31 0.42 0.00 1.13 2.43 -1.32 -3.29 114.38 114.06 3mgx h ARG 262 Ca -0.02 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.79 3mgx h ARG 262 Cb 1.27 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 3mgx h ARG 262 CO 0.12 0.91 -0.35 0.38 -1.51 0.00 0.00 179.97 179.53 3mgx h ASP 263 N 0.00 0.00 0.00 -3.80 -0.00 -1.45 -3.48 116.42 107.69 3mgx h ASP 263 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.02 3mgx h ASP 263 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.26 3mgx h ASP 263 CO 0.07 0.29 0.00 0.61 -0.00 0.00 0.00 179.24 180.21 3mgx n GLY 264 N 1.18 0.91 0.16 7.15 0.00 -0.82 -4.98 105.19 108.78 3mgx n GLY 264 Ca 0.02 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 -3.31 1.61 4.64 -1.49 -3.41 113.55 111.58 3mgx h SER 265 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3mgx h SER 265 Cb 0.00 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.87 3mgx h SER 265 CO 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 176.83 175.29 3mgx s ALA 266 N -3.22 2.98 -0.20 5.18 0.00 -0.32 -5.00 121.76 121.18 3mgx s ALA 266 Ca 0.08 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 3mgx s ALA 266 Cb 0.10 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3mgx s ALA 266 CO 0.58 0.19 1.08 0.34 0.00 0.00 0.00 175.76 177.94 3mgx s ASP 267 N 0.41 7.09 0.17 0.00 2.15 -1.26 -4.54 116.67 120.69 3mgx s ASP 267 Ca -0.04 1.46 -0.14 0.00 0.43 0.00 0.00 52.55 54.25 3mgx s ASP 267 Cb -0.14 -2.54 0.14 0.00 -0.30 0.00 0.00 42.92 40.08 3mgx s ASP 267 CO 0.03 -0.66 1.72 1.62 -0.17 0.00 0.00 175.17 177.71 3mgx h VAL 268 N 5.41 0.74 -0.38 1.11 3.04 -1.95 -0.71 116.25 123.52 3mgx h VAL 268 Ca -0.22 -0.07 -0.06 0.00 -1.01 0.00 0.00 66.70 65.34 3mgx h VAL 268 Cb 1.08 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.87 3mgx h VAL 268 CO 0.96 0.04 -0.03 0.44 -1.01 0.00 0.00 177.57 177.97 3mgx h ASP 269 N 0.20 0.58 -0.31 3.17 3.45 -1.96 0.11 116.42 121.65 3mgx h ASP 269 Ca 0.22 -0.13 -0.12 0.00 0.43 0.00 0.00 57.03 57.43 3mgx h ASP 269 Cb 0.29 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3mgx h ASP 269 CO -0.30 0.67 -0.22 0.74 -1.57 0.00 0.00 179.24 178.56 3mgx h THR 270 N 0.57 1.27 -0.40 0.35 2.02 -1.72 -2.66 112.91 112.34 3mgx h THR 270 Ca 0.12 -1.34 -0.13 0.00 0.77 0.00 0.00 66.41 65.83 3mgx h THR 270 Cb 0.41 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3mgx h THR 270 CO 0.02 0.45 -0.26 0.58 0.37 0.00 0.00 175.52 176.67 3mgx h VAL 271 N 0.70 1.27 -0.47 3.16 2.07 -0.41 -2.58 116.25 119.98 3mgx h VAL 271 Ca 0.10 -1.40 0.05 0.00 0.82 0.00 0.00 66.70 66.27 3mgx h VAL 271 Cb 0.74 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 3mgx h VAL 271 CO 0.06 0.47 0.20 0.58 0.02 0.00 0.00 177.57 178.89 3mgx h VAL 272 N 0.71 0.89 -0.86 2.57 2.07 -0.68 0.11 116.25 121.06 3mgx h VAL 272 Ca 0.09 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3mgx h VAL 272 Cb 0.80 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3mgx h VAL 272 CO 0.07 0.07 0.47 -0.33 0.02 0.00 0.00 177.57 177.87 3mgx h GLU 273 N 0.39 1.20 -0.06 1.57 4.39 -1.36 -1.66 114.58 119.05 3mgx h GLU 273 Ca 0.22 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.64 3mgx h GLU 273 Cb 0.19 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3mgx h GLU 273 CO -0.20 0.88 -0.57 1.49 -1.16 0.00 0.00 179.01 179.45 3mgx h GLU 274 N 1.21 0.20 -0.44 2.33 4.57 -0.98 -1.23 114.58 120.23 3mgx h GLU 274 Ca 0.30 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 3mgx h GLU 274 Cb 0.03 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3mgx h GLU 274 CO -0.05 0.72 0.17 0.28 -1.18 0.00 0.00 179.01 178.95 3mgx h VAL 275 N 0.15 1.20 -0.37 0.32 2.07 -0.65 -0.92 116.25 118.06 3mgx h VAL 275 Ca -0.00 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3mgx h VAL 275 Cb 1.05 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3mgx h VAL 275 CO 0.09 0.23 0.20 -0.07 0.02 0.00 0.00 177.57 178.04 3mgx h LEU 276 N 0.57 0.47 -0.17 2.57 3.38 -0.98 -0.71 115.31 120.43 3mgx h LEU 276 Ca 0.15 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3mgx h LEU 276 Cb 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3mgx h LEU 276 CO -0.01 0.44 0.05 -0.09 0.09 0.00 0.00 178.44 178.91 3mgx h ARG 277 N 0.47 0.28 -0.63 1.13 2.43 -1.22 -1.41 114.38 115.42 3mgx h ARG 277 Ca 0.13 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3mgx h ARG 277 Cb 0.08 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3mgx h ARG 277 CO -0.02 0.41 0.17 2.35 -1.51 0.00 0.00 179.97 181.37 3mgx h TRP 278 N 0.10 1.04 0.09 2.20 7.01 -1.05 -3.25 115.95 122.10 3mgx h TRP 278 Ca 0.06 -0.12 -0.31 0.00 2.11 0.00 0.00 58.89 60.63 3mgx h TRP 278 Cb 0.25 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 3mgx h TRP 278 CO 0.01 0.87 -1.60 1.79 -2.79 0.00 0.00 178.44 176.71 3mgx h THR 279 N 0.92 1.05 -6.46 2.65 1.35 -1.19 -3.49 112.91 107.74 3mgx h THR 279 Ca 0.20 -2.75 -0.31 0.00 -0.55 0.00 0.00 66.41 63.00 3mgx h THR 279 Cb 0.33 2.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3mgx h THR 279 CO -0.00 0.78 -0.62 -1.20 -0.25 0.00 0.00 175.52 174.23 3mgx n SER 280 N -3.38 -2.58 -0.09 5.36 7.64 -0.53 -4.82 113.62 115.22 3mgx n SER 280 Ca -0.18 -0.64 0.02 0.00 1.01 0.00 0.00 58.87 59.09 3mgx n SER 280 Cb 1.04 -0.91 0.34 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.08 0.73 -6.62 1.43 0.11 -1.82 -3.38 132.00 122.53 3mgx h PRO 281 Ca -0.39 -0.05 -0.55 0.00 0.11 0.00 0.00 66.00 65.12 3mgx h PRO 281 Cb 0.81 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.68 3mgx h PRO 281 CO 0.24 0.49 0.97 0.00 -0.21 0.00 0.00 178.00 179.49 3mgx s ALA 282 N -5.61 3.04 0.18 -0.75 0.00 -1.26 -0.14 121.76 117.22 3mgx s ALA 282 Ca -0.09 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3mgx s ALA 282 Cb 0.17 -4.00 0.06 0.00 0.00 0.00 0.00 23.12 19.36 3mgx s ALA 282 CO 0.75 -2.54 1.43 1.98 0.00 0.00 0.00 175.76 177.38 3mgx h MET 283 N 9.46 0.30 -3.02 0.00 4.05 -1.57 -3.40 114.93 120.74 3mgx h MET 283 Ca -0.24 -0.26 -0.05 0.00 -0.28 0.00 0.00 59.70 58.86 3mgx h MET 283 Cb 1.06 0.06 -0.15 0.00 -0.80 0.00 0.00 31.60 31.77 3mgx h MET 283 CO 1.17 0.93 0.01 -3.38 0.23 0.00 0.00 176.91 175.87 3mgx s HIS 284 N -3.47 -0.36 -0.02 1.39 -3.43 -1.26 -2.98 115.29 105.17 3mgx s HIS 284 Ca -0.04 0.24 0.04 0.00 -0.80 0.00 0.00 55.06 54.50 3mgx s HIS 284 Cb 0.10 0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 31.58 3mgx s HIS 284 CO 0.83 -0.68 -0.13 0.14 -2.00 0.00 0.00 174.74 172.89 3mgx s VAL 285 N -3.06 1.07 0.01 -5.38 -7.23 -0.79 -4.94 120.40 100.09 3mgx s VAL 285 Ca -0.02 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 3mgx s VAL 285 Cb 0.00 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 3mgx s VAL 285 CO -0.07 0.31 0.04 -0.22 -0.31 0.00 0.00 175.10 174.85 3mgx s LEU 286 N -0.23 3.71 0.09 1.32 0.20 0.17 -1.09 118.68 122.85 3mgx s LEU 286 Ca 0.03 0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.94 3mgx s LEU 286 Cb -0.06 -2.19 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 3mgx s LEU 286 CO -0.00 0.26 -0.09 -0.13 -0.29 0.00 0.00 176.35 176.10 3mgx s ARG 287 N -1.76 0.81 -0.10 1.98 1.81 0.35 -4.27 118.95 117.77 3mgx s ARG 287 Ca 0.22 -1.16 0.03 0.00 -1.72 0.00 0.00 55.73 53.11 3mgx s ARG 287 Cb -0.12 -0.44 -0.01 0.00 -0.45 0.00 0.00 34.95 33.94 3mgx s ARG 287 CO 0.13 0.06 -0.20 0.08 -0.68 0.00 0.00 175.30 174.69 3mgx s VAL 288 N -2.59 2.43 0.39 3.52 1.01 -0.38 0.10 120.40 124.89 3mgx s VAL 288 Ca 0.05 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 3mgx s VAL 288 Cb -0.02 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 3mgx s VAL 288 CO -0.01 0.55 1.30 0.42 0.00 0.00 0.00 175.10 177.37 3mgx s THR 289 N 0.19 2.63 -0.16 3.92 -4.23 -0.34 0.09 115.64 117.74 3mgx s THR 289 Ca -0.12 0.58 0.19 0.00 -1.18 0.00 0.00 61.69 61.16 3mgx s THR 289 Cb -0.16 -3.35 -0.28 0.00 1.34 0.00 0.00 72.50 70.05 3mgx s THR 289 CO 0.07 0.09 0.48 0.35 -0.54 0.00 0.00 174.62 175.07 3mgx n THR 290 N 0.24 0.00 -4.08 3.99 -2.24 -0.36 -1.11 114.28 110.73 3mgx n THR 290 Ca 0.03 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 3mgx n THR 290 Cb 0.43 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 3mgx n THR 290 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mgx n ALA 291 N -2.05 0.00 -2.28 6.98 0.00 -1.26 -4.79 120.51 117.11 3mgx n ALA 291 Ca -0.02 -1.50 -0.43 0.00 0.00 0.00 0.00 53.44 51.49 3mgx n ALA 291 Cb 0.47 1.21 -0.02 0.00 0.00 0.00 0.00 19.45 21.11 3mgx n ALA 291 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mgx s ASP 292 N -2.93 6.86 0.03 0.00 1.01 -1.26 -3.83 116.67 116.55 3mgx s ASP 292 Ca 0.28 1.90 0.02 0.00 0.71 0.00 0.00 52.55 55.47 3mgx s ASP 292 Cb -0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3mgx s ASP 292 CO 0.20 -0.79 -0.08 -0.69 0.21 0.00 0.00 175.17 174.02 3mgx s VAL 293 N 3.44 0.56 -0.30 -1.27 1.01 -0.86 -5.01 120.40 117.96 3mgx s VAL 293 Ca 0.61 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 3mgx s VAL 293 Cb -0.26 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3mgx s VAL 293 CO 0.21 -0.26 0.12 -0.89 0.00 0.00 0.00 175.10 174.28 3mgx s THR 294 N -1.11 4.42 -0.17 3.92 2.01 -1.26 -0.34 115.64 123.10 3mgx s THR 294 Ca -0.07 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3mgx s THR 294 Cb -0.08 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.22 3mgx s THR 294 CO 0.00 0.11 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.24 3mgx s ILE 295 N 1.59 1.85 -1.46 1.82 -1.09 -0.58 -4.76 121.20 118.57 3mgx s ILE 295 Ca 0.04 -0.84 -0.10 0.00 -2.23 0.00 0.00 60.65 57.52 3mgx s ILE 295 Cb -0.17 -1.71 0.06 0.00 -1.58 0.00 0.00 42.46 39.06 3mgx s ILE 295 CO 0.05 0.47 0.78 0.59 -1.23 0.00 0.00 174.94 175.60 3mgx n ASN 296 N 4.68 -4.98 0.00 3.58 4.13 -1.26 -2.08 115.26 119.34 3mgx n ASN 296 Ca -0.19 -0.54 0.00 0.00 1.68 0.00 0.00 54.58 55.54 3mgx n ASN 296 Cb 0.50 -4.01 0.00 0.00 -1.54 0.00 0.00 39.78 34.73 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 -1.54 1.48 3.61 7.41 0.00 -1.26 -4.87 105.19 110.02 3mgx n GLY 297 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3mgx n GLY 297 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgx s ARG 298 N -0.46 3.96 -0.31 1.61 1.81 -0.88 -5.07 118.95 119.61 3mgx s ARG 298 Ca 0.00 -0.33 -0.24 0.00 -1.72 0.00 0.00 55.73 53.43 3mgx s ARG 298 Cb 0.00 -3.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.10 3mgx s ARG 298 CO 0.00 0.08 0.84 0.34 -0.68 0.00 0.00 175.30 175.88 3mgx s ASP 299 N 0.96 6.72 -0.10 0.23 2.15 -1.26 -1.52 116.67 123.84 3mgx s ASP 299 Ca 0.06 0.74 -0.01 0.00 0.43 0.00 0.00 52.55 53.76 3mgx s ASP 299 Cb -0.14 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 3mgx s ASP 299 CO 0.03 -0.66 -0.04 -0.76 -0.17 0.00 0.00 175.17 173.58 3mgx s LEU 300 N 3.08 3.32 0.77 -1.34 1.02 0.54 -5.01 118.68 121.06 3mgx s LEU 300 Ca 0.35 -0.00 -0.12 0.00 0.02 0.00 0.00 54.13 54.38 3mgx s LEU 300 Cb -0.14 -1.76 0.05 0.00 0.02 0.00 0.00 46.19 44.37 3mgx s LEU 300 CO 0.13 0.31 1.12 -2.16 0.02 0.00 0.00 176.35 175.76 3mgx s PRO 301 N -0.46 2.30 0.17 1.29 0.04 -1.26 -2.04 135.00 135.05 3mgx s PRO 301 Ca 0.07 0.43 -0.32 0.00 0.04 0.00 0.00 61.00 61.23 3mgx s PRO 301 Cb -0.12 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 3mgx s PRO 301 CO 0.02 -1.42 1.57 0.45 0.04 0.00 0.00 177.00 177.66 3mgx s SER 302 N -4.24 6.57 0.00 6.66 0.15 -1.25 -3.32 113.70 118.27 3mgx s SER 302 Ca 0.60 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.89 3mgx s SER 302 Cb -0.12 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3mgx s SER 302 CO 0.52 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.74 3mgx n GLY 303 N 3.68 1.37 3.58 9.45 0.00 -0.27 -4.98 105.19 118.03 3mgx n GLY 303 Ca 0.14 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.02 4.57 0.13 2.61 2.01 -1.21 -4.71 115.64 117.02 3mgx s THR 304 Ca 0.00 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 3mgx s THR 304 Cb 0.00 -3.07 -0.07 0.00 0.01 0.00 0.00 72.50 69.37 3mgx s THR 304 CO 0.00 0.44 1.25 -2.84 -0.69 0.00 0.00 174.62 172.78 3mgx s PRO 305 N 0.63 4.43 -0.06 4.92 0.02 -1.26 -1.20 135.00 142.47 3mgx s PRO 305 Ca 0.02 1.90 0.02 0.00 0.02 0.00 0.00 61.00 62.97 3mgx s PRO 305 Cb -0.13 -3.27 0.02 0.00 0.02 0.00 0.00 34.50 31.13 3mgx s PRO 305 CO 0.02 -0.23 -0.10 0.08 -0.33 0.00 0.00 177.00 176.44 3mgx s VAL 306 N 0.55 0.97 -0.11 3.83 1.01 0.12 -1.47 120.40 125.29 3mgx s VAL 306 Ca 0.57 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3mgx s VAL 306 Cb -0.33 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3mgx s VAL 306 CO 0.33 0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 174.94 3mgx s VAL 307 N 0.74 3.13 -0.26 2.92 1.01 0.96 -0.50 120.40 128.41 3mgx s VAL 307 Ca -0.13 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 3mgx s VAL 307 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3mgx s VAL 307 CO 0.03 0.54 0.12 0.00 0.00 0.00 0.00 175.10 175.78 3mgx s ALA 308 N 0.09 3.32 -0.76 5.51 0.00 -0.25 -1.00 121.76 128.67 3mgx s ALA 308 Ca -0.05 -1.11 -0.18 0.00 0.00 0.00 0.00 51.96 50.61 3mgx s ALA 308 Cb -0.15 -2.25 0.13 0.00 0.00 0.00 0.00 23.12 20.86 3mgx s ALA 308 CO 0.04 -0.51 0.89 -1.58 0.00 0.00 0.00 175.76 174.60 3mgx s TRP 309 N 1.67 3.14 0.27 0.00 0.52 -1.04 -1.88 118.94 121.62 3mgx s TRP 309 Ca 0.07 -1.25 -0.05 0.00 0.02 0.00 0.00 56.10 54.89 3mgx s TRP 309 Cb -0.15 -4.11 0.32 0.00 -1.15 0.00 0.00 33.47 28.38 3mgx s TRP 309 CO 0.07 -1.35 1.94 -0.07 0.02 0.00 0.00 176.95 177.55 3mgx h LEU 310 N 9.90 1.09 -1.54 2.99 3.38 -1.76 -2.31 115.31 127.06 3mgx h LEU 310 Ca -0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3mgx h LEU 310 Cb 1.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3mgx h LEU 310 CO 1.05 0.78 -0.24 -0.65 0.09 0.00 0.00 178.44 179.47 3mgx h PRO 311 N 1.28 0.00 -0.30 1.13 0.11 -1.78 -1.32 132.00 131.13 3mgx h PRO 311 Ca 0.35 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.35 3mgx h PRO 311 Cb -0.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3mgx h PRO 311 CO -0.08 0.24 -0.25 0.00 -0.21 0.00 0.00 178.00 177.70 3mgx h ALA 312 N 1.76 0.43 -0.27 -0.75 0.00 -1.68 -3.08 119.26 115.67 3mgx h ALA 312 Ca -0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3mgx h ALA 312 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3mgx h ALA 312 CO 0.03 0.42 -0.14 0.00 0.00 0.00 0.00 179.25 179.56 3mgx h ALA 313 N 0.72 1.26 0.00 0.00 0.00 -0.99 -2.38 119.26 117.88 3mgx h ALA 313 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3mgx h ALA 313 Cb 0.81 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3mgx h ALA 313 CO 0.06 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.89 3mgx n ASN 314 N -4.20 0.00 -0.14 0.00 3.02 -0.52 -2.60 115.26 110.81 3mgx n ASN 314 Ca 0.00 -0.71 0.04 0.00 -0.03 0.00 0.00 54.58 53.88 3mgx n ASN 314 Cb 0.32 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.48 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 -1.08 1.21 -1.83 3.52 1.74 -1.03 -4.88 116.66 114.32 3mgx n ARG 315 Ca 0.20 -1.69 -0.43 0.00 -0.77 0.00 0.00 57.85 55.16 3mgx n ARG 315 Cb 0.13 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.63 6.22 0.53 0.55 -1.08 -0.92 -4.77 116.67 115.56 3mgx s ASP 316 Ca 0.13 2.11 0.36 0.00 -0.52 0.00 0.00 52.55 54.63 3mgx s ASP 316 Cb 0.11 -2.53 1.79 0.00 -1.46 0.00 0.00 42.92 40.84 3mgx s ASP 316 CO 0.01 -1.32 2.08 1.55 0.52 0.00 0.00 175.17 178.01 3mgx h PRO 317 N 11.57 0.00 0.00 4.34 0.13 -1.91 0.13 132.00 146.26 3mgx h PRO 317 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3mgx h PRO 317 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3mgx h PRO 317 CO 0.97 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 3mgx h ALA 318 N 2.03 1.00 0.00 -0.56 0.00 -1.94 -3.33 119.26 116.46 3mgx h ALA 318 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3mgx h ALA 318 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3mgx h ALA 318 CO 0.00 0.00 -1.26 -1.91 0.00 0.00 0.00 179.25 176.08 3mgx n GLU 319 N -2.49 1.82 -4.01 0.00 4.07 -0.21 -5.02 120.64 114.80 3mgx n GLU 319 Ca 0.02 0.01 -0.30 0.00 -0.06 0.00 0.00 57.16 56.84 3mgx n GLU 319 Cb 0.30 -1.10 -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 -2.09 2.17 0.35 4.31 0.08 0.28 -4.95 117.98 118.12 3mgx s PHE 320 Ca -0.04 -1.23 -0.27 0.00 0.12 0.00 0.00 56.93 55.51 3mgx s PHE 320 Cb 0.01 -1.59 -0.09 0.00 -0.57 0.00 0.00 43.02 40.78 3mgx s PHE 320 CO 0.13 -0.67 1.14 -0.51 -0.10 0.00 0.00 175.22 175.21 3mgx s ASP 321 N 1.49 6.85 -1.11 1.36 -0.00 -1.26 -3.81 116.67 120.19 3mgx s ASP 321 Ca 0.05 2.31 -0.25 0.00 -0.00 0.00 0.00 52.55 54.65 3mgx s ASP 321 Cb -0.13 -2.62 0.03 0.00 -0.00 0.00 0.00 42.92 40.20 3mgx s ASP 321 CO -0.11 -0.44 0.68 -0.67 -0.00 0.00 0.00 175.17 174.63 3mgx n ASP 322 N 0.53 -4.48 0.28 0.27 2.03 -1.26 -4.84 116.55 109.08 3mgx n ASP 322 Ca 0.02 -1.18 0.17 0.00 0.52 0.00 0.00 54.79 54.32 3mgx n ASP 322 Cb 0.46 -1.88 0.76 0.00 -0.72 0.00 0.00 41.12 39.73 3mgx n ASP 322 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3mgx h PRO 323 N -1.99 0.00 0.00 -0.67 0.13 -1.86 -2.55 132.00 125.05 3mgx h PRO 323 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3mgx h PRO 323 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 3mgx h PRO 323 CO 0.48 0.03 -0.26 -0.25 -0.23 0.00 0.00 178.00 177.76 3mgx n ASP 324 N -3.15 0.27 -4.75 1.44 8.00 -1.26 -4.81 116.55 112.28 3mgx n ASP 324 Ca -0.00 0.11 -0.37 0.00 0.71 0.00 0.00 54.79 55.24 3mgx n ASP 324 Cb 0.27 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.20 3mgx n ASP 324 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgx s THR 325 N -3.00 5.25 -0.48 -3.53 2.01 -0.96 -5.04 115.64 109.89 3mgx s THR 325 Ca 0.12 0.66 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 3mgx s THR 325 Cb 0.18 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 69.03 3mgx s THR 325 CO 0.62 0.42 1.48 0.12 -0.69 0.00 0.00 174.62 176.57 3mgx s PHE 326 N 0.17 2.25 -0.44 4.92 5.36 -1.26 -4.99 117.98 123.98 3mgx s PHE 326 Ca 0.19 0.59 -0.14 0.00 -0.96 0.00 0.00 56.93 56.61 3mgx s PHE 326 Cb -0.14 -4.32 0.06 0.00 -0.34 0.00 0.00 43.02 38.28 3mgx s PHE 326 CO 0.07 -2.09 0.34 -0.51 -1.46 0.00 0.00 175.22 171.57 3mgx s LEU 327 N 6.08 5.39 0.50 6.12 1.02 -1.26 -4.97 118.68 131.56 3mgx s LEU 327 Ca 0.60 -1.22 0.20 0.00 0.02 0.00 0.00 54.13 53.72 3mgx s LEU 327 Cb -0.13 -2.15 1.27 0.00 0.02 0.00 0.00 46.19 45.20 3mgx s LEU 327 CO 0.29 -0.57 2.03 -0.65 0.02 0.00 0.00 176.35 177.46 3mgx h PRO 328 N 8.67 0.11 -0.55 1.29 0.11 -1.94 -1.76 132.00 137.93 3mgx h PRO 328 Ca -0.27 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.51 3mgx h PRO 328 Cb 1.11 -0.03 -0.19 0.00 0.11 0.00 0.00 31.00 32.00 3mgx h PRO 328 CO 0.82 0.07 0.04 0.41 -0.21 0.00 0.00 178.00 179.13 3mgx n GLY 329 N -1.59 5.10 3.65 -0.55 0.00 -1.26 -3.55 105.19 106.99 3mgx n GLY 329 Ca 0.07 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.18 3mgx n GLY 329 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mgx n ARG 330 N -1.07 2.38 -3.72 1.61 0.63 -0.67 -4.98 116.66 110.85 3mgx n ARG 330 Ca 0.41 0.85 -0.13 0.00 -0.92 0.00 0.00 57.85 58.06 3mgx n ARG 330 Cb 1.09 -2.85 -0.13 0.00 0.45 0.00 0.00 32.46 31.02 3mgx n ARG 330 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3mgx s LYS 331 N 4.62 0.16 0.79 -0.14 1.02 -1.26 -4.28 119.74 120.65 3mgx s LYS 331 Ca 0.93 0.53 -0.12 0.00 0.02 0.00 0.00 55.97 57.34 3mgx s LYS 331 Cb -0.56 -0.13 0.07 0.00 -0.52 0.00 0.00 37.83 36.69 3mgx s LYS 331 CO 0.46 -0.19 1.13 -1.25 -0.92 0.00 0.00 175.35 174.58 3mgx s PRO 332 N 1.47 2.13 -0.43 -1.68 0.04 -1.26 -5.13 135.00 130.14 3mgx s PRO 332 Ca -0.07 0.34 0.06 0.00 0.04 0.00 0.00 61.00 61.36 3mgx s PRO 332 Cb -0.11 -1.95 0.20 0.00 0.04 0.00 0.00 34.50 32.68 3mgx s PRO 332 CO -0.08 -1.53 0.43 -1.71 0.04 0.00 0.00 177.00 174.16 3mgx n ASN 333 N -3.31 0.15 -2.62 6.66 2.85 -1.26 -5.01 115.26 112.71 3mgx n ASN 333 Ca 0.07 -2.58 -0.28 0.00 -0.11 0.00 0.00 54.58 51.67 3mgx n ASN 333 Cb 0.59 -0.60 -0.05 0.00 1.24 0.00 0.00 39.78 40.95 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 2.18 2.70 -1.58 1.20 1.74 -1.26 -4.98 116.66 116.67 3mgx n ARG 334 Ca 0.26 -2.48 -0.33 0.00 -0.77 0.00 0.00 57.85 54.53 3mgx n ARG 334 Cb 0.49 -2.21 0.07 0.00 -1.02 0.00 0.00 32.46 29.79 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 -1.58 2.41 -0.34 -1.55 -3.43 -1.26 -4.97 115.29 104.57 3mgx s HIS 335 Ca 0.58 1.58 0.06 0.00 -0.80 0.00 0.00 55.06 56.49 3mgx s HIS 335 Cb 0.35 -3.25 0.46 0.00 -1.43 0.00 0.00 32.58 28.71 3mgx s HIS 335 CO -0.20 -2.00 1.35 0.44 -2.00 0.00 0.00 174.74 172.33 3mgx n ILE 336 N -2.67 2.66 -0.10 -5.38 -5.35 -1.26 -4.76 119.36 102.50 3mgx n ILE 336 Ca 0.11 -3.74 0.10 0.00 -0.27 0.00 0.00 62.75 58.96 3mgx n ILE 336 Cb 0.52 -0.94 0.47 0.00 -1.74 0.00 0.00 39.64 37.95 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 1.72 0.93 -0.46 7.28 2.02 -1.88 -0.40 112.91 122.12 3mgx h THR 337 Ca 0.34 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.36 3mgx h THR 337 Cb 1.39 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3mgx h THR 337 CO 0.75 0.09 0.00 0.49 0.37 0.00 0.00 175.52 177.22 3mgx n PHE 338 N -4.48 0.63 -3.81 3.16 0.99 -1.26 -4.65 117.46 108.04 3mgx n PHE 338 Ca 0.10 -0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.23 3mgx n PHE 338 Cb 0.33 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.80 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 1.21 -0.81 3.54 1.37 0.00 -0.16 -1.21 105.19 109.13 3mgx n GLY 339 Ca 0.15 -1.22 -0.14 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 -0.51 0.00 1.61 2.46 -1.26 -4.73 115.29 112.86 3mgx s HIS 340 Ca 0.00 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.35 3mgx s HIS 340 Cb 0.00 0.44 0.00 0.00 -0.13 0.00 0.00 32.58 32.89 3mgx s HIS 340 CO 0.00 -0.51 0.00 0.41 -2.47 0.00 0.00 174.74 172.17 3mgx n GLY 341 N 0.69 0.18 0.19 1.59 0.00 -1.25 -4.03 105.19 102.57 3mgx n GLY 341 Ca -0.15 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 44.91 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 0.07 -0.58 1.61 2.86 -1.91 -2.77 114.93 114.21 3mgx h MET 342 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 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 0.42 0.00 0.72 1.06 0.00 0.00 176.91 179.11 3mgx n HIS 343 N -4.10 0.77 -1.56 -0.22 -0.00 -1.26 -4.99 115.22 103.86 3mgx n HIS 343 Ca -0.02 -0.39 -0.54 0.00 -0.00 0.00 0.00 57.72 56.78 3mgx n HIS 343 Cb 0.41 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.33 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 1.43 1.18 -1.47 4.41 -0.00 -1.05 -4.60 115.22 115.12 3mgx n HIS 344 Ca 0.21 0.78 -0.62 0.00 0.46 0.00 0.00 57.72 58.56 3mgx n HIS 344 Cb 0.57 -2.24 -0.11 0.00 -0.12 0.00 0.00 29.99 28.09 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 6.70 0.00 -2.76 0.00 5.85 -1.92 -2.71 115.31 120.47 3mgx h LEU 346 Ca -0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3mgx h LEU 346 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3mgx h LEU 346 CO 1.00 0.13 0.00 0.61 -0.34 0.00 0.00 178.44 179.85 3mgx n GLY 347 N -0.94 2.40 0.29 3.75 0.00 -1.26 -4.57 105.19 104.85 3mgx n GLY 347 Ca -0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 3.22 0.86 -0.20 1.61 4.64 -1.81 0.15 113.55 122.02 3mgx h SER 348 Ca 0.00 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 3mgx h SER 348 Cb 1.41 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3mgx h SER 348 CO 0.28 0.67 -0.04 0.00 -0.87 0.00 0.00 176.83 176.86 3mgx h ALA 349 N 1.22 1.33 -0.03 5.18 0.00 -1.83 -1.71 119.26 123.42 3mgx h ALA 349 Ca 0.26 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3mgx h ALA 349 Cb -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mgx h ALA 349 CO -0.05 0.46 -0.58 1.25 0.00 0.00 0.00 179.25 180.33 3mgx h LEU 350 N 0.49 0.56 -0.64 0.00 5.85 -1.57 -2.40 115.31 117.60 3mgx h LEU 350 Ca 0.10 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 58.14 3mgx h LEU 350 Cb 0.39 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3mgx h LEU 350 CO 0.02 1.20 0.37 0.00 -0.34 0.00 0.00 178.44 179.69 3mgx h ALA 351 N 0.37 0.84 -0.78 1.25 0.00 -0.65 0.14 119.26 120.43 3mgx h ALA 351 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3mgx h ALA 351 Cb 1.26 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3mgx h ALA 351 CO 0.11 0.08 0.38 0.00 0.00 0.00 0.00 179.25 179.82 3mgx h ARG 352 N 0.71 1.12 -0.40 0.00 3.08 -1.36 -1.52 114.38 116.01 3mgx h ARG 352 Ca 0.27 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 3mgx h ARG 352 Cb 0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3mgx h ARG 352 CO -0.14 0.86 -0.34 0.82 -1.07 0.00 0.00 179.97 180.10 3mgx h ILE 353 N 1.10 1.27 -0.28 2.04 2.04 -1.00 -0.61 117.51 122.07 3mgx h ILE 353 Ca 0.27 -1.51 0.04 0.00 1.00 0.00 0.00 64.86 64.66 3mgx h ILE 353 Cb 0.11 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3mgx h ILE 353 CO -0.03 0.51 0.05 -0.33 0.00 0.00 0.00 178.15 178.34 3mgx h GLU 354 N 0.76 0.15 -0.64 2.37 5.08 -0.53 -0.68 114.58 121.10 3mgx h GLU 354 Ca 0.07 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3mgx h GLU 354 Cb 0.93 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 3mgx h GLU 354 CO 0.09 0.10 0.10 -0.07 -1.00 0.00 0.00 179.01 178.23 3mgx h LEU 355 N 0.15 1.00 -0.39 1.33 3.38 -1.25 -1.95 115.31 117.59 3mgx h LEU 355 Ca 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3mgx h LEU 355 Cb 0.14 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3mgx h LEU 355 CO -0.17 0.99 0.23 -1.28 0.09 0.00 0.00 178.44 178.30 3mgx h SER 356 N 0.98 0.47 -0.26 -0.43 0.87 -0.65 -1.51 113.55 113.02 3mgx h SER 356 Ca 0.20 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 3mgx h SER 356 Cb 0.42 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3mgx h SER 356 CO 0.01 0.39 -0.37 0.58 -0.53 0.00 0.00 176.83 176.91 3mgx h VAL 357 N 0.51 1.30 -0.36 2.23 2.07 -1.10 -2.65 116.25 118.24 3mgx h VAL 357 Ca 0.14 -1.57 0.05 0.00 0.82 0.00 0.00 66.70 66.14 3mgx h VAL 357 Cb 0.01 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3mgx h VAL 357 CO -0.03 0.50 0.12 0.58 0.02 0.00 0.00 177.57 178.76 3mgx h VAL 358 N 0.44 0.88 -0.49 2.57 2.07 -1.24 -0.64 116.25 119.84 3mgx h VAL 358 Ca 0.03 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3mgx h VAL 358 Cb 0.96 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3mgx h VAL 358 CO 0.09 0.05 0.09 -0.07 0.02 0.00 0.00 177.57 177.74 3mgx h LEU 359 N 0.26 0.78 0.04 2.57 3.38 -1.28 -1.59 115.31 119.48 3mgx h LEU 359 Ca 0.17 -0.26 -0.24 0.00 0.09 0.00 0.00 57.88 57.64 3mgx h LEU 359 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3mgx h LEU 359 CO -0.18 0.83 -1.10 0.08 0.09 0.00 0.00 178.44 178.16 3mgx h ARG 360 N 0.69 0.13 -0.13 1.13 0.11 -1.33 -0.92 114.38 114.06 3mgx h ARG 360 Ca 0.15 -0.22 -0.16 0.00 0.10 0.00 0.00 59.98 59.86 3mgx h ARG 360 Cb 0.38 0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 3mgx h ARG 360 CO 0.01 1.10 -0.59 0.28 0.10 0.00 0.00 179.97 180.87 3mgx h VAL 361 N 0.04 1.35 -0.09 0.08 2.07 -1.16 -1.50 116.25 117.03 3mgx h VAL 361 Ca -0.07 -1.90 -0.13 0.00 0.82 0.00 0.00 66.70 65.43 3mgx h VAL 361 Cb 1.85 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 3mgx h VAL 361 CO 0.16 0.58 -0.53 0.25 0.02 0.00 0.00 177.57 178.05 3mgx h LEU 362 N 0.32 0.27 -0.53 2.57 5.85 -1.26 -2.85 115.31 119.67 3mgx h LEU 362 Ca -0.00 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.42 3mgx h LEU 362 Cb 1.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3mgx h LEU 362 CO 0.10 0.75 -0.73 0.00 -0.34 0.00 0.00 178.44 178.22 3mgx h ALA 363 N 1.26 0.78 0.00 1.25 0.00 -1.07 0.44 119.26 121.92 3mgx h ALA 363 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 3mgx h ALA 363 Cb 1.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3mgx h ALA 363 CO 0.08 0.89 -0.43 0.93 0.00 0.00 0.00 179.25 180.72 3mgx h GLU 364 N 0.03 0.00 0.00 0.00 5.08 -1.09 -3.38 114.58 115.22 3mgx h GLU 364 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3mgx h GLU 364 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3mgx h GLU 364 CO 0.10 0.43 -1.23 0.54 -1.00 0.00 0.00 179.01 177.85 3mgx n ARG 365 N -3.98 1.54 -3.57 2.33 1.74 -1.09 -4.96 116.66 108.66 3mgx n ARG 365 Ca -0.02 0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3mgx n ARG 365 Cb 0.46 -1.08 -0.07 0.00 -1.02 0.00 0.00 32.46 30.75 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 -2.08 5.30 -0.11 1.55 1.01 0.14 -0.88 120.40 125.33 3mgx s VAL 366 Ca -0.04 0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.55 3mgx s VAL 366 Cb 0.01 -3.61 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 3mgx s VAL 366 CO 0.11 0.43 0.38 -1.20 0.00 0.00 0.00 175.10 174.83 3mgx n SER 367 N 3.26 1.12 -3.68 3.32 7.64 0.28 -4.59 113.62 120.97 3mgx n SER 367 Ca -0.13 0.23 -0.12 0.00 1.01 0.00 0.00 58.87 59.86 3mgx n SER 367 Cb 0.52 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.55 3mgx n SER 367 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3mgx s ARG 368 N -2.56 0.63 -0.16 1.43 3.52 -1.01 -4.83 118.95 115.97 3mgx s ARG 368 Ca -0.13 0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 56.32 3mgx s ARG 368 Cb 0.07 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 3mgx s ARG 368 CO 0.79 -0.10 -0.11 0.08 -0.81 0.00 0.00 175.30 175.15 3mgx s VAL 369 N 0.71 3.11 -0.12 7.11 1.01 -1.26 -1.82 120.40 129.13 3mgx s VAL 369 Ca -0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 3mgx s VAL 369 Cb -0.05 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3mgx s VAL 369 CO -0.05 0.50 -0.10 -1.81 0.00 0.00 0.00 175.10 173.64 3mgx s ASP 370 N 0.68 4.33 -0.38 3.32 1.01 -0.29 -4.29 116.67 121.06 3mgx s ASP 370 Ca -0.06 -0.21 -0.25 0.00 0.71 0.00 0.00 52.55 52.74 3mgx s ASP 370 Cb -0.15 -1.52 0.01 0.00 1.01 0.00 0.00 42.92 42.27 3mgx s ASP 370 CO 0.02 0.21 0.88 -0.22 0.21 0.00 0.00 175.17 176.28 3mgx s LEU 371 N 0.08 4.04 -0.06 1.23 2.96 -1.26 -0.41 118.68 125.25 3mgx s LEU 371 Ca -0.04 0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 54.12 3mgx s LEU 371 Cb -0.14 -3.18 -0.16 0.00 0.50 0.00 0.00 46.19 43.20 3mgx s LEU 371 CO 0.04 -0.84 0.83 -0.33 -1.32 0.00 0.00 176.35 174.73 3mgx h GLU 372 N 8.55 -0.15 -5.44 1.98 4.39 -1.42 -3.47 114.58 119.02 3mgx h GLU 372 Ca -0.24 0.01 -0.42 0.00 0.34 0.00 0.00 59.36 59.06 3mgx h GLU 372 Cb 1.08 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.61 3mgx h GLU 372 CO 0.97 0.34 -0.74 1.03 -1.16 0.00 0.00 179.01 179.45 3mgx s ARG 373 N -3.19 1.19 0.32 2.33 0.52 -1.22 -5.07 118.95 113.83 3mgx s ARG 373 Ca -0.13 -1.46 -0.29 0.00 -0.52 0.00 0.00 55.73 53.33 3mgx s ARG 373 Cb 0.00 -0.97 -0.10 0.00 0.52 0.00 0.00 34.95 34.40 3mgx s ARG 373 CO 0.49 0.16 1.40 -2.00 0.02 0.00 0.00 175.30 175.37 3mgx s GLU 374 N -3.39 4.27 0.39 3.54 2.56 -1.26 -4.47 118.70 120.33 3mgx s GLU 374 Ca 0.18 2.34 -0.27 0.00 0.00 0.00 0.00 54.97 57.21 3mgx s GLU 374 Cb -0.01 -3.06 -0.11 0.00 2.00 0.00 0.00 34.13 32.95 3mgx s GLU 374 CO 0.04 -0.35 1.33 -0.35 -0.56 0.00 0.00 175.26 175.37 3mgx n PRO 375 N 1.21 2.15 -4.05 4.30 -0.04 -1.26 -4.91 135.00 132.39 3mgx n PRO 375 Ca 0.02 0.76 -0.34 0.00 -0.04 0.00 0.00 63.50 63.90 3mgx n PRO 375 Cb 0.41 -2.43 -0.07 0.00 -0.04 0.00 0.00 33.50 31.37 3mgx n PRO 375 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mgx s ALA 376 N -1.15 3.68 0.05 0.55 0.00 -0.86 -4.99 121.76 119.04 3mgx s ALA 376 Ca 0.58 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.79 3mgx s ALA 376 Cb -0.52 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 3mgx s ALA 376 CO 0.60 0.67 -0.04 -1.58 0.00 0.00 0.00 175.76 175.42 3mgx s TRP 377 N -1.14 2.93 0.23 0.00 0.52 -1.26 0.08 118.94 120.30 3mgx s TRP 377 Ca 0.21 -0.03 -0.30 0.00 0.02 0.00 0.00 56.10 56.00 3mgx s TRP 377 Cb -0.12 -1.57 -0.09 0.00 -1.15 0.00 0.00 33.47 30.54 3mgx s TRP 377 CO 0.11 0.43 1.26 -0.51 0.02 0.00 0.00 176.95 178.26 3mgx s LEU 378 N -1.84 4.44 -0.99 2.99 1.43 0.31 -4.57 118.68 120.45 3mgx s LEU 378 Ca 0.21 2.41 -0.23 0.00 -1.03 0.00 0.00 54.13 55.48 3mgx s LEU 378 Cb -0.11 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.51 3mgx s LEU 378 CO 0.12 -0.44 1.61 -0.60 0.23 0.00 0.00 176.35 177.27 3mgx s ARG 379 N -0.65 3.27 0.12 1.70 3.52 -1.26 -4.72 118.95 120.93 3mgx s ARG 379 Ca 0.53 -0.87 -0.20 0.00 -0.13 0.00 0.00 55.73 55.05 3mgx s ARG 379 Cb -0.36 -5.27 0.05 0.00 -1.56 0.00 0.00 34.95 27.82 3mgx s ARG 379 CO 0.41 -2.58 0.51 0.00 -0.81 0.00 0.00 175.30 172.83 3mgx s ALA 380 N 6.59 -1.29 -0.12 6.12 0.00 -1.26 -4.98 121.76 126.82 3mgx s ALA 380 Ca 0.54 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.84 3mgx s ALA 380 Cb -0.02 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 3mgx s ALA 380 CO -0.07 -0.67 0.14 0.44 0.00 0.00 0.00 175.76 175.60 3mgx n ILE 381 N -0.17 0.00 -0.03 0.00 -5.35 -1.26 -4.68 119.36 107.87 3mgx n ILE 381 Ca -0.17 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 61.91 3mgx n ILE 381 Cb 0.64 0.75 -0.09 0.00 -1.74 0.00 0.00 39.64 39.19 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 1.40 -3.98 7.28 2.07 -1.95 -3.36 116.25 117.71 3mgx h VAL 382 Ca 0.00 -1.31 -0.62 0.00 0.82 0.00 0.00 66.70 65.58 3mgx h VAL 382 Cb 0.14 2.17 -0.23 0.00 -1.52 0.00 0.00 31.29 31.85 3mgx h VAL 382 CO 0.00 0.36 -0.85 0.68 0.02 0.00 0.00 177.57 177.78 3mgx s VAL 383 N -4.10 1.96 -0.86 2.57 -7.23 -1.26 -1.99 120.40 109.49 3mgx s VAL 383 Ca -0.15 -1.58 -0.20 0.00 -1.81 0.00 0.00 61.98 58.24 3mgx s VAL 383 Cb 0.03 -1.74 0.12 0.00 0.56 0.00 0.00 36.38 35.34 3mgx s VAL 383 CO 0.71 0.06 1.08 -1.58 -0.31 0.00 0.00 175.10 175.06 3mgx s GLN 384 N -1.83 3.48 0.09 4.82 0.74 0.80 -4.68 119.66 123.09 3mgx s GLN 384 Ca 0.10 -1.56 0.09 0.00 0.05 0.00 0.00 55.36 54.05 3mgx s GLN 384 Cb -0.10 -4.76 -0.03 0.00 1.10 0.00 0.00 33.01 29.21 3mgx s GLN 384 CO 0.04 -1.78 -0.24 0.20 -0.55 0.00 0.00 175.29 172.96 3mgx s GLY 385 N 3.66 1.38 -0.07 2.59 0.00 -1.26 -4.58 107.32 109.05 3mgx s GLY 385 Ca 0.30 -1.30 -0.29 0.00 0.00 0.00 0.00 44.72 43.42 3mgx s GLY 385 CO -0.05 -1.26 0.99 -0.19 0.00 0.00 0.00 173.10 172.59 3mgx s TYR 386 N -0.99 3.57 -0.03 1.90 2.02 -1.26 -0.53 117.35 122.02 3mgx s TYR 386 Ca 0.10 1.62 -0.12 0.00 -0.37 0.00 0.00 57.07 58.31 3mgx s TYR 386 Cb -0.10 -3.15 -0.32 0.00 -0.40 0.00 0.00 41.96 37.99 3mgx s TYR 386 CO 0.04 -0.14 0.74 -0.09 -1.57 0.00 0.00 175.55 174.53 3mgx h ARG 387 N 6.99 0.42 -2.92 -0.62 2.43 -0.61 -3.43 114.38 116.65 3mgx h ARG 387 Ca -0.35 -0.72 -0.14 0.00 -0.81 0.00 0.00 59.98 57.97 3mgx h ARG 387 Cb 1.17 0.27 -0.24 0.00 -0.42 0.00 0.00 29.97 30.75 3mgx h ARG 387 CO 0.82 1.34 -0.31 -2.00 -1.51 0.00 0.00 179.97 178.30 3mgx s GLU 388 N -2.59 0.42 -0.41 0.20 2.12 -1.07 -4.78 118.70 112.59 3mgx s GLU 388 Ca -0.14 0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.65 3mgx s GLU 388 Cb 0.05 0.20 0.17 0.00 0.26 0.00 0.00 34.13 34.81 3mgx s GLU 388 CO 0.87 -0.06 0.38 -1.17 -0.54 0.00 0.00 175.26 174.75 3mgx s LEU 389 N 0.06 0.71 -0.11 2.70 2.96 -1.26 -2.02 118.68 121.73 3mgx s LEU 389 Ca -0.01 -2.53 -0.29 0.00 -0.22 0.00 0.00 54.13 51.08 3mgx s LEU 389 Cb -0.03 0.05 -0.04 0.00 0.50 0.00 0.00 46.19 46.67 3mgx s LEU 389 CO 0.01 -0.19 1.52 -2.84 -1.32 0.00 0.00 176.35 173.54 3mgx s PRO 390 N 0.53 4.16 0.15 0.98 0.02 -1.26 -1.40 135.00 138.18 3mgx s PRO 390 Ca 0.28 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.29 3mgx s PRO 390 Cb -0.04 -3.92 -0.05 0.00 0.02 0.00 0.00 34.50 30.52 3mgx s PRO 390 CO -0.12 -0.84 -0.04 0.14 -0.33 0.00 0.00 177.00 175.81 3mgx s VAL 391 N 3.97 0.80 -0.07 3.83 -7.23 0.68 -1.04 120.40 121.34 3mgx s VAL 391 Ca 0.67 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.90 3mgx s VAL 391 Cb -0.29 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.68 3mgx s VAL 391 CO 0.25 -0.62 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.07 3mgx s ARG 392 N -3.86 2.51 -0.14 4.82 0.52 0.45 -0.92 118.95 122.33 3mgx s ARG 392 Ca 0.20 -0.78 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 3mgx s ARG 392 Cb 0.05 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 3mgx s ARG 392 CO 0.01 0.23 0.05 -0.06 0.02 0.00 0.00 175.30 175.55 3mgx s PHE 393 N 0.19 3.26 -0.12 -0.53 0.40 -1.26 -1.14 117.98 118.77 3mgx s PHE 393 Ca -0.11 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 3mgx s PHE 393 Cb -0.15 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.44 3mgx s PHE 393 CO 0.06 0.33 -0.12 0.95 0.70 0.00 0.00 175.22 177.13 3mgx s THR 394 N -0.22 1.34 -0.41 0.64 -4.23 -0.75 -3.73 115.64 108.28 3mgx s THR 394 Ca 0.07 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 3mgx s THR 394 Cb -0.12 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.44 3mgx s THR 394 CO 0.02 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 3mgx n GLY 395 N 4.67 -0.93 0.00 3.99 0.00 -1.26 -0.56 105.19 111.10 3mgx n GLY 395 Ca -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3mgx n GLY 395 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86