#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mnj h HIS 4 N 0.00 0.44 -4.26 -1.40 -0.00 -2.04 -3.45 115.15 104.43 3mnj h HIS 4 Ca 0.00 -0.18 -0.51 0.00 -0.00 0.00 0.00 60.37 59.67 3mnj h HIS 4 Cb 0.00 -0.07 0.12 0.00 -0.00 0.00 0.00 27.41 27.46 3mnj h HIS 4 CO 0.00 0.91 0.34 1.67 -0.00 0.00 0.00 177.93 180.85 3mnj s TRP 5 N -3.67 2.56 0.00 5.26 1.48 -1.26 -4.87 118.94 118.43 3mnj s TRP 5 Ca -0.05 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 56.55 3mnj s TRP 5 Cb 0.11 -3.12 0.00 0.00 -1.16 0.00 0.00 33.47 29.30 3mnj s TRP 5 CO 0.82 -1.80 0.00 0.41 -4.06 0.00 0.00 176.95 172.32 3mnj n GLY 6 N -0.82 2.01 0.03 3.67 0.00 -0.47 -5.03 105.19 104.58 3mnj n GLY 6 Ca 0.10 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.73 3mnj n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mnj n TYR 7 N 0.00 0.00 -1.54 1.61 4.02 -1.26 -3.79 117.16 116.20 3mnj n TYR 7 Ca 0.00 -0.58 -0.17 0.00 -0.01 0.00 0.00 57.90 57.14 3mnj n TYR 7 Cb 0.00 -0.07 0.12 0.00 -0.02 0.00 0.00 39.34 39.37 3mnj n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mnj n GLY 8 N -0.69 -1.35 0.21 2.72 0.00 -1.26 -4.70 105.19 100.12 3mnj n GLY 8 Ca 0.04 -1.69 0.01 0.00 0.00 0.00 0.00 46.02 44.38 3mnj n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mnj h LYS 9 N 0.00 0.15 0.00 1.61 3.64 -1.97 -0.01 116.57 119.99 3mnj h LYS 9 Ca -0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3mnj h LYS 9 Cb 0.69 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3mnj h LYS 9 CO 0.18 0.43 -1.31 0.72 -2.27 0.00 0.00 179.45 177.20 3mnj n HIS 10 N -4.16 0.00 -1.23 1.91 8.25 -1.26 -4.51 115.22 114.21 3mnj n HIS 10 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 3mnj n HIS 10 Cb 0.36 -0.19 0.02 0.00 1.12 0.00 0.00 29.99 31.31 3mnj n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3mnj n ASN 11 N -1.75 0.59 -2.36 0.41 6.94 -1.19 -4.94 115.26 112.96 3mnj n ASN 11 Ca 0.01 -1.78 -0.05 0.00 -0.02 0.00 0.00 54.58 52.74 3mnj n ASN 11 Cb 0.38 -0.13 0.03 0.00 -2.36 0.00 0.00 39.78 37.71 3mnj n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mnj n GLY 12 N -0.26 -0.82 0.39 4.83 0.00 -0.02 -1.37 105.19 107.94 3mnj n GLY 12 Ca 0.02 -1.73 0.20 0.00 0.00 0.00 0.00 46.02 44.51 3mnj n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mnj h PRO 13 N 0.00 0.07 0.00 1.61 0.11 -1.84 0.14 132.00 132.09 3mnj h PRO 13 Ca -0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3mnj h PRO 13 Cb 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3mnj h PRO 13 CO 0.06 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.04 3mnj n GLU 14 N -4.39 0.09 0.01 1.05 0.00 -1.26 -2.62 120.64 113.53 3mnj n GLU 14 Ca 0.11 0.29 0.11 0.00 0.00 0.00 0.00 57.16 57.67 3mnj n GLU 14 Cb 0.62 -1.66 -0.09 0.00 0.00 0.00 0.00 31.44 30.32 3mnj n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3mnj n HIS 15 N -1.83 0.18 0.20 -1.84 8.25 0.48 -4.65 115.22 116.01 3mnj n HIS 15 Ca 0.03 0.05 0.07 0.00 -0.26 0.00 0.00 57.72 57.62 3mnj n HIS 15 Cb 0.22 -0.44 0.59 0.00 1.12 0.00 0.00 29.99 31.48 3mnj n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3mnj h TRP 16 N 0.00 0.13 -0.00 4.41 6.55 -1.46 -2.52 115.95 123.06 3mnj h TRP 16 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3mnj h TRP 16 Cb 0.83 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 29.09 3mnj h TRP 16 CO 0.00 0.08 0.00 1.12 -1.05 0.00 0.00 178.44 178.59 3mnj h HIS 17 N 0.14 0.00 -0.50 0.49 2.07 -1.80 0.17 115.15 115.72 3mnj h HIS 17 Ca 0.04 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.47 3mnj h HIS 17 Cb -0.02 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.95 3mnj h HIS 17 CO 0.00 0.00 -0.01 0.87 -3.07 0.00 0.00 177.93 175.72 3mnj h LYS 18 N 0.00 0.89 0.00 5.12 1.57 -1.81 -3.00 116.57 119.34 3mnj h LYS 18 Ca 0.00 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 3mnj h LYS 18 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3mnj h LYS 18 CO -0.00 0.92 -0.86 -0.44 -0.57 0.00 0.00 179.45 178.51 3mnj h ASP 19 N 0.75 0.00 -2.58 0.86 3.32 -1.66 -3.43 116.42 113.68 3mnj h ASP 19 Ca 0.14 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.59 3mnj h ASP 19 Cb 0.53 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.69 3mnj h ASP 19 CO 0.03 0.17 -0.87 -0.36 -1.72 0.00 0.00 179.24 176.48 3mnj s PHE 20 N -3.21 1.66 0.64 4.55 0.08 0.01 -5.00 117.98 116.72 3mnj s PHE 20 Ca 0.01 -2.53 0.39 0.00 0.12 0.00 0.00 56.93 54.92 3mnj s PHE 20 Cb 0.08 -1.35 2.18 0.00 -0.57 0.00 0.00 43.02 43.36 3mnj s PHE 20 CO 0.77 -0.76 2.30 -1.35 -0.10 0.00 0.00 175.22 176.07 3mnj h PRO 21 N 5.68 0.00 0.00 0.24 0.11 -1.78 0.16 132.00 136.42 3mnj h PRO 21 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3mnj h PRO 21 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3mnj h PRO 21 CO 0.45 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.21 3mnj h ILE 22 N 0.00 0.00 -0.53 4.15 2.10 -1.91 -2.57 117.51 118.75 3mnj h ILE 22 Ca 0.01 -0.04 0.15 0.00 1.08 0.00 0.00 64.86 66.06 3mnj h ILE 22 Cb 0.08 0.59 -0.02 0.00 -1.09 0.00 0.00 36.82 36.38 3mnj h ILE 22 CO -0.00 0.00 0.54 0.00 -1.08 0.00 0.00 178.15 177.61 3mnj h ALA 23 N 2.04 2.29 -0.56 0.18 0.00 -1.27 0.52 119.26 122.46 3mnj h ALA 23 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 3mnj h ALA 23 Cb 0.06 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.76 3mnj h ALA 23 CO 0.00 -0.81 0.17 1.63 0.00 0.00 0.00 179.25 180.24 3mnj n LYS 24 N -3.75 2.61 -0.77 0.00 5.02 -0.97 -4.96 118.16 115.33 3mnj n LYS 24 Ca 0.10 -3.06 -0.16 0.00 -2.02 0.00 0.00 58.31 53.17 3mnj n LYS 24 Cb 0.74 -2.00 0.12 0.00 -0.02 0.00 0.00 35.03 33.88 3mnj n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mnj n GLY 25 N -0.77 -2.02 0.03 0.72 0.00 0.18 -4.98 105.19 98.36 3mnj n GLY 25 Ca 0.38 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.95 3mnj n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mnj n GLU 26 N -2.93 0.12 -2.65 1.61 -0.58 -1.26 -4.27 120.64 110.68 3mnj n GLU 26 Ca 0.08 -0.07 -0.11 0.00 -0.42 0.00 0.00 57.16 56.65 3mnj n GLU 26 Cb 0.31 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.71 3mnj n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3mnj n ARG 27 N -1.38 1.37 -2.72 3.49 1.85 -1.26 -4.64 116.66 113.37 3mnj n ARG 27 Ca 0.07 -3.38 -0.31 0.00 -1.00 0.00 0.00 57.85 53.22 3mnj n ARG 27 Cb 0.34 -1.35 -0.04 0.00 -1.05 0.00 0.00 32.46 30.35 3mnj n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3mnj s GLN 28 N -3.15 3.90 0.21 2.89 -1.52 -1.26 -2.78 119.66 117.95 3mnj s GLN 28 Ca 0.29 0.72 0.09 0.00 -1.95 0.00 0.00 55.36 54.51 3mnj s GLN 28 Cb 0.45 -2.29 -0.05 0.00 -0.22 0.00 0.00 33.01 30.91 3mnj s GLN 28 CO 0.01 -0.10 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.66 3mnj s SER 29 N -2.96 2.88 0.93 5.90 0.01 -1.26 -4.69 113.70 114.51 3mnj s SER 29 Ca 0.55 -0.98 -0.10 0.00 1.31 0.00 0.00 55.95 56.74 3mnj s SER 29 Cb -0.10 -0.19 0.15 0.00 0.21 0.00 0.00 66.02 66.09 3mnj s SER 29 CO 0.28 -0.07 0.90 -0.81 0.41 0.00 0.00 173.24 173.95 3mnj n PRO 30 N -0.24 -0.74 -4.11 12.44 -0.04 -1.26 -4.63 135.00 136.42 3mnj n PRO 30 Ca -0.09 -1.55 -0.09 0.00 -0.04 0.00 0.00 63.50 61.73 3mnj n PRO 30 Cb 0.59 -0.88 -0.10 0.00 -0.04 0.00 0.00 33.50 33.07 3mnj n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mnj s VAL 31 N -2.90 0.13 0.00 0.52 -7.23 -1.26 -0.54 120.40 109.13 3mnj s VAL 31 Ca 0.52 -1.83 -0.27 0.00 -1.81 0.00 0.00 61.98 58.60 3mnj s VAL 31 Cb -0.02 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3mnj s VAL 31 CO 0.36 -0.60 0.86 -0.62 -0.31 0.00 0.00 175.10 174.80 3mnj s ASP 32 N -3.00 7.25 -0.39 4.85 2.15 -1.26 -3.04 116.67 123.22 3mnj s ASP 32 Ca 0.19 1.51 -0.18 0.00 0.43 0.00 0.00 52.55 54.50 3mnj s ASP 32 Cb 0.07 -2.51 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 3mnj s ASP 32 CO -0.02 -0.14 0.48 -0.63 -0.17 0.00 0.00 175.17 174.69 3mnj s ILE 33 N 0.62 5.04 -0.50 4.11 1.01 0.35 -4.95 121.20 126.88 3mnj s ILE 33 Ca 0.45 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.85 3mnj s ILE 33 Cb -0.20 -4.01 0.05 0.00 0.01 0.00 0.00 42.46 38.31 3mnj s ILE 33 CO 0.25 -0.35 0.64 -0.62 0.00 0.00 0.00 174.94 174.86 3mnj s ASP 34 N 1.82 6.24 0.50 3.58 -1.08 -1.26 -0.08 116.67 126.39 3mnj s ASP 34 Ca 0.15 -0.82 0.28 0.00 -0.52 0.00 0.00 52.55 51.65 3mnj s ASP 34 Cb -0.16 -2.30 1.29 0.00 -1.46 0.00 0.00 42.92 40.29 3mnj s ASP 34 CO 0.14 -0.90 1.98 0.71 0.52 0.00 0.00 175.17 177.62 3mnj h THR 35 N 5.87 0.44 0.00 1.71 1.35 -1.95 -1.87 112.91 118.47 3mnj h THR 35 Ca -0.27 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3mnj h THR 35 Cb 1.09 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3mnj h THR 35 CO 0.96 0.13 -0.55 0.45 -0.25 0.00 0.00 175.52 176.27 3mnj h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.30 115.15 118.41 3mnj h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mnj h HIS 36 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3mnj h HIS 36 CO 0.00 0.00 -1.64 2.41 0.86 0.00 0.00 177.93 179.56 3mnj n THR 37 N -2.61 0.00 -2.02 2.45 -1.04 -0.99 -4.94 114.28 105.14 3mnj n THR 37 Ca 0.02 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.05 61.30 3mnj n THR 37 Cb 0.51 0.35 -0.02 0.00 -1.82 0.00 0.00 70.33 69.34 3mnj n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mnj s ALA 38 N -3.34 3.64 -0.25 2.41 0.00 -0.74 -4.85 121.76 118.63 3mnj s ALA 38 Ca -0.02 1.31 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 3mnj s ALA 38 Cb 0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3mnj s ALA 38 CO 0.89 -0.73 0.39 0.21 0.00 0.00 0.00 175.76 176.53 3mnj s LYS 39 N -0.11 4.06 0.11 0.00 2.47 -0.32 -4.80 119.74 121.14 3mnj s LYS 39 Ca 0.61 0.10 -0.31 0.00 -1.56 0.00 0.00 55.97 54.81 3mnj s LYS 39 Cb -0.41 -3.63 -0.09 0.00 -1.46 0.00 0.00 37.83 32.23 3mnj s LYS 39 CO 0.41 -0.23 1.69 -0.47 0.16 0.00 0.00 175.35 176.91 3mnj s TYR 40 N 1.92 2.51 -0.30 4.03 5.04 -1.26 -0.68 117.35 128.61 3mnj s TYR 40 Ca 0.16 0.29 0.03 0.00 -2.44 0.00 0.00 57.07 55.12 3mnj s TYR 40 Cb -0.15 -4.03 0.08 0.00 0.35 0.00 0.00 41.96 38.21 3mnj s TYR 40 CO 0.09 -4.08 -0.02 0.34 -1.34 0.00 0.00 175.55 170.55 3mnj s ASP 41 N 2.16 4.57 0.00 4.32 -1.08 -0.60 -4.88 116.67 121.16 3mnj s ASP 41 Ca 0.75 -1.79 0.26 0.00 -0.52 0.00 0.00 52.55 51.25 3mnj s ASP 41 Cb -0.43 -1.55 1.33 0.00 -1.46 0.00 0.00 42.92 40.81 3mnj s ASP 41 CO 0.33 -0.30 1.87 -0.81 0.52 0.00 0.00 175.17 176.79 3mnj n PRO 42 N 4.36 0.41 0.00 4.34 -0.04 -1.26 -1.83 135.00 140.98 3mnj n PRO 42 Ca -0.04 0.04 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 3mnj n PRO 42 Cb 0.42 -1.50 0.77 0.00 -0.04 0.00 0.00 33.50 33.15 3mnj n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mnj n SER 43 N -1.26 0.21 -4.72 3.54 3.41 -1.26 -4.85 113.62 108.70 3mnj n SER 43 Ca 0.13 -0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 57.71 3mnj n SER 43 Cb 0.19 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 3mnj n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mnj s LEU 44 N -2.33 4.42 0.68 1.04 1.43 -0.76 -5.05 118.68 118.11 3mnj s LEU 44 Ca 0.35 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 3mnj s LEU 44 Cb 0.21 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 3mnj s LEU 44 CO 0.43 -0.19 1.06 -0.54 0.23 0.00 0.00 176.35 177.34 3mnj s LYS 45 N 0.63 3.12 0.63 1.70 1.02 -1.25 -4.99 119.74 120.60 3mnj s LYS 45 Ca 0.50 0.70 -0.19 0.00 0.02 0.00 0.00 55.97 57.00 3mnj s LYS 45 Cb -0.22 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 3mnj s LYS 45 CO 0.29 -0.90 1.30 -2.30 -0.92 0.00 0.00 175.35 172.81 3mnj n PRO 46 N -2.96 1.21 -2.25 -1.68 -0.02 -1.26 -3.10 135.00 124.94 3mnj n PRO 46 Ca 0.07 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 3mnj n PRO 46 Cb 0.55 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3mnj n PRO 46 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mnj s LEU 47 N -4.12 3.80 -0.26 2.45 1.43 -1.26 -1.66 118.68 119.05 3mnj s LEU 47 Ca 0.81 2.21 0.03 0.00 -1.03 0.00 0.00 54.13 56.14 3mnj s LEU 47 Cb -0.39 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.38 3mnj s LEU 47 CO 0.42 -1.17 -0.11 -0.55 0.23 0.00 0.00 176.35 175.17 3mnj s SER 48 N -1.69 4.45 -0.27 2.29 0.15 0.11 -4.85 113.70 113.90 3mnj s SER 48 Ca 0.71 -1.39 -0.08 0.00 0.70 0.00 0.00 55.95 55.90 3mnj s SER 48 Cb -0.25 -1.56 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 3mnj s SER 48 CO 0.29 -0.19 0.08 -0.69 1.20 0.00 0.00 173.24 173.93 3mnj s VAL 49 N 1.11 4.27 -0.54 4.45 1.01 -1.26 -1.32 120.40 128.12 3mnj s VAL 49 Ca -0.09 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3mnj s VAL 49 Cb -0.20 -3.07 0.14 0.00 0.00 0.00 0.00 36.38 33.25 3mnj s VAL 49 CO -0.05 0.24 0.31 -0.44 0.00 0.00 0.00 175.10 175.16 3mnj s SER 50 N 1.59 4.73 0.00 3.32 0.01 -0.31 -4.90 113.70 118.14 3mnj s SER 50 Ca 0.05 -2.85 0.08 0.00 1.31 0.00 0.00 55.95 54.54 3mnj s SER 50 Cb -0.16 -1.73 0.20 0.00 0.21 0.00 0.00 66.02 64.54 3mnj s SER 50 CO 0.04 -0.31 1.11 -1.22 0.41 0.00 0.00 173.24 173.27 3mnj n TYR 51 N 3.39 0.28 0.32 2.43 4.01 -1.26 -1.47 117.16 124.87 3mnj n TYR 51 Ca 0.06 -0.41 0.21 0.00 -0.16 0.00 0.00 57.90 57.59 3mnj n TYR 51 Cb 0.35 -0.03 1.10 0.00 -0.31 0.00 0.00 39.34 40.46 3mnj n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3mnj h ASP 52 N 1.52 0.00 -0.25 7.72 2.03 -1.91 -2.40 116.42 123.14 3mnj h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3mnj h ASP 52 Cb 0.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 3mnj h ASP 52 CO 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 179.24 178.22 3mnj n GLN 53 N -3.24 2.77 -1.80 4.15 1.13 -1.23 -5.03 117.38 114.14 3mnj n GLN 53 Ca -0.03 -2.58 -0.41 0.00 -1.94 0.00 0.00 57.00 52.04 3mnj n GLN 53 Cb 0.10 -1.65 -0.01 0.00 0.11 0.00 0.00 30.24 28.79 3mnj n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mnj s ALA 54 N -2.34 3.67 -0.34 -1.58 0.00 -0.90 -4.65 121.76 115.63 3mnj s ALA 54 Ca 0.35 1.56 0.02 0.00 0.00 0.00 0.00 51.96 53.89 3mnj s ALA 54 Cb 0.27 -3.63 0.09 0.00 0.00 0.00 0.00 23.12 19.85 3mnj s ALA 54 CO 0.10 -1.00 0.06 0.99 0.00 0.00 0.00 175.76 175.90 3mnj s THR 55 N -0.45 2.56 0.45 0.00 2.01 -1.26 -4.94 115.64 114.01 3mnj s THR 55 Ca 0.59 -2.09 -0.22 0.00 0.31 0.00 0.00 61.69 60.28 3mnj s THR 55 Cb -0.47 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 3mnj s THR 55 CO 0.54 -0.49 1.05 -0.94 -0.69 0.00 0.00 174.62 174.09 3mnj s SER 56 N 1.18 6.48 -0.08 3.53 1.04 -1.26 -1.25 113.70 123.34 3mnj s SER 56 Ca 0.06 2.01 -0.02 0.00 0.48 0.00 0.00 55.95 58.47 3mnj s SER 56 Cb -0.20 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.31 3mnj s SER 56 CO -0.06 -0.69 -0.09 0.18 0.98 0.00 0.00 173.24 173.56 3mnj n LEU 57 N -0.58 1.43 -3.58 2.42 4.77 0.14 -4.30 117.00 117.30 3mnj n LEU 57 Ca 0.07 0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 3mnj n LEU 57 Cb 0.51 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3mnj n LEU 57 CO 0.42 0.33 0.33 -0.60 -1.33 0.00 0.00 177.39 176.54 3mnj s ARG 58 N -2.15 0.98 -0.02 3.23 3.52 -1.20 -1.30 118.95 122.01 3mnj s ARG 58 Ca -0.11 0.08 0.07 0.00 -0.13 0.00 0.00 55.73 55.64 3mnj s ARG 58 Cb 0.04 0.45 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 3mnj s ARG 58 CO 0.15 -0.31 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.61 3mnj s ILE 59 N -1.45 1.72 -0.01 4.11 2.07 -0.17 -0.83 121.20 126.64 3mnj s ILE 59 Ca -0.10 -0.93 -0.09 0.00 -1.41 0.00 0.00 60.65 58.11 3mnj s ILE 59 Cb -0.01 -1.43 0.01 0.00 0.13 0.00 0.00 42.46 41.16 3mnj s ILE 59 CO 0.07 0.49 0.19 -1.48 -1.91 0.00 0.00 174.94 172.29 3mnj s LEU 60 N -0.50 1.34 -0.33 8.50 2.34 -0.52 -0.49 118.68 129.03 3mnj s LEU 60 Ca 0.08 -0.09 -0.15 0.00 0.06 0.00 0.00 54.13 54.03 3mnj s LEU 60 Cb -0.08 0.84 -0.02 0.00 -0.56 0.00 0.00 46.19 46.37 3mnj s LEU 60 CO -0.01 -0.37 0.34 0.21 -1.06 0.00 0.00 176.35 175.46 3mnj s ASN 61 N -1.28 6.16 -0.01 1.48 3.84 -0.25 -0.88 114.94 123.99 3mnj s ASN 61 Ca -0.14 -0.19 0.19 0.00 0.21 0.00 0.00 52.86 52.93 3mnj s ASN 61 Cb -0.07 -2.19 0.55 0.00 -0.55 0.00 0.00 41.25 39.00 3mnj s ASN 61 CO 0.02 -0.29 1.46 -0.46 -2.79 0.00 0.00 177.10 175.04 3mnj n ASN 62 N 5.32 3.71 0.00 -4.21 0.23 -0.92 -0.05 115.26 119.35 3mnj n ASN 62 Ca -0.10 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 51.91 3mnj n ASN 62 Cb 0.50 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 3mnj n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mnj n GLY 63 N 1.27 1.13 0.00 4.83 0.00 -1.26 -4.77 105.19 106.39 3mnj n GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3mnj n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3mnj n HIS 64 N -2.00 0.00 -3.21 1.61 1.44 -1.26 -4.70 115.22 107.09 3mnj n HIS 64 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 3mnj n HIS 64 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3mnj n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mnj n ALA 65 N -0.75 -0.28 -2.59 1.59 0.00 -1.26 -4.89 120.51 112.34 3mnj n ALA 65 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 3mnj n ALA 65 Cb 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 19.45 19.41 3mnj n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3mnj s PHE 66 N -7.36 2.34 -0.07 0.00 -0.12 -1.26 -2.16 117.98 109.34 3mnj s PHE 66 Ca 0.02 -0.60 0.00 0.00 -0.05 0.00 0.00 56.93 56.31 3mnj s PHE 66 Cb -0.01 -1.52 -0.03 0.00 -0.63 0.00 0.00 43.02 40.83 3mnj s PHE 66 CO 0.01 -0.15 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.17 3mnj s ASN 67 N -0.32 4.69 -0.24 1.98 -0.87 -0.06 -4.27 114.94 115.85 3mnj s ASN 67 Ca 0.02 -0.02 -0.11 0.00 -1.57 0.00 0.00 52.86 51.17 3mnj s ASN 67 Cb -0.12 -1.23 -0.05 0.00 -0.02 0.00 0.00 41.25 39.83 3mnj s ASN 67 CO 0.02 0.35 0.20 -0.69 -2.57 0.00 0.00 177.10 174.41 3mnj s VAL 68 N -0.74 5.33 0.01 1.60 1.01 0.04 -1.44 120.40 126.20 3mnj s VAL 68 Ca 0.11 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3mnj s VAL 68 Cb -0.11 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3mnj s VAL 68 CO 0.02 0.32 -0.03 -1.61 0.00 0.00 0.00 175.10 173.80 3mnj s GLU 69 N 1.14 2.67 0.23 2.72 2.02 -0.01 -1.23 118.70 126.24 3mnj s GLU 69 Ca 0.09 -0.67 0.12 0.00 0.02 0.00 0.00 54.97 54.53 3mnj s GLU 69 Cb -0.14 -2.59 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 3mnj s GLU 69 CO 0.05 0.61 -0.22 -0.06 0.02 0.00 0.00 175.26 175.66 3mnj s PHE 70 N -1.06 2.28 -0.25 1.61 0.40 -0.07 0.23 117.98 121.12 3mnj s PHE 70 Ca 0.19 -0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 55.87 3mnj s PHE 70 Cb -0.11 -1.07 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 3mnj s PHE 70 CO 0.09 0.58 1.30 0.34 0.70 0.00 0.00 175.22 178.24 3mnj s ASP 71 N -3.02 6.75 -0.23 1.36 2.15 -0.38 -4.84 116.67 118.46 3mnj s ASP 71 Ca 0.24 1.39 0.11 0.00 0.43 0.00 0.00 52.55 54.72 3mnj s ASP 71 Cb -0.07 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.45 3mnj s ASP 71 CO 0.12 -0.98 1.20 -0.90 -0.17 0.00 0.00 175.17 174.44 3mnj n ASP 72 N 7.33 2.81 -0.42 -0.34 5.75 -1.26 -4.62 116.55 125.80 3mnj n ASP 72 Ca 0.15 -3.68 0.13 0.00 -0.01 0.00 0.00 54.79 51.38 3mnj n ASP 72 Cb 0.46 -0.45 0.40 0.00 -1.03 0.00 0.00 41.12 40.50 3mnj n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3mnj n SER 73 N -0.86 1.44 -3.93 -1.12 3.41 -1.26 -4.89 113.62 106.41 3mnj n SER 73 Ca 0.27 -1.28 -0.10 0.00 -0.26 0.00 0.00 58.87 57.50 3mnj n SER 73 Cb 0.82 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.80 3mnj n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3mnj s GLN 74 N -2.24 1.29 -0.87 4.33 -0.21 -1.26 -5.07 119.66 115.63 3mnj s GLN 74 Ca 0.30 -1.15 -0.10 0.00 0.02 0.00 0.00 55.36 54.43 3mnj s GLN 74 Cb 0.20 0.42 -0.08 0.00 1.00 0.00 0.00 33.01 34.55 3mnj s GLN 74 CO 0.42 -0.51 2.04 -0.25 -2.12 0.00 0.00 175.29 174.88 3mnj n ASP 75 N -0.28 4.17 -0.03 5.90 9.92 -1.26 -4.61 116.55 130.36 3mnj n ASP 75 Ca -0.06 -2.43 -0.20 0.00 -0.53 0.00 0.00 54.79 51.57 3mnj n ASP 75 Cb 0.63 -1.10 -0.13 0.00 -0.64 0.00 0.00 41.12 39.87 3mnj n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3mnj n LYS 76 N 5.03 0.73 -3.86 -1.24 5.02 -1.26 -4.74 118.16 117.84 3mnj n LYS 76 Ca 0.45 0.23 -0.29 0.00 -2.02 0.00 0.00 58.31 56.68 3mnj n LYS 76 Cb 0.21 -1.66 -0.16 0.00 -0.02 0.00 0.00 35.03 33.40 3mnj n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mnj s ALA 77 N -2.55 1.59 0.11 7.82 0.00 -1.26 -3.50 121.76 123.97 3mnj s ALA 77 Ca -0.26 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.66 3mnj s ALA 77 Cb 0.07 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3mnj s ALA 77 CO 0.73 -1.17 -0.11 0.14 0.00 0.00 0.00 175.76 175.35 3mnj s VAL 78 N 1.57 1.06 -0.08 0.00 -7.23 -0.54 -1.13 120.40 114.05 3mnj s VAL 78 Ca -0.04 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 3mnj s VAL 78 Cb -0.18 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 3mnj s VAL 78 CO -0.07 -0.52 -0.18 -0.22 -0.31 0.00 0.00 175.10 173.79 3mnj s LEU 79 N -2.47 2.46 0.23 1.32 2.96 0.29 -1.17 118.68 122.30 3mnj s LEU 79 Ca 0.07 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3mnj s LEU 79 Cb -0.03 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 3mnj s LEU 79 CO 0.01 0.25 0.25 -0.54 -1.32 0.00 0.00 176.35 175.00 3mnj s LYS 80 N -0.17 1.38 2.35 1.98 1.02 -0.43 -1.54 119.74 124.33 3mnj s LYS 80 Ca -0.02 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.39 3mnj s LYS 80 Cb -0.14 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 3mnj s LYS 80 CO 0.03 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 3mnj n GLY 81 N -0.35 -0.95 7.00 -3.33 0.00 -1.26 -0.71 105.19 105.59 3mnj n GLY 81 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3mnj n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mnj n GLY 82 N 0.00 2.96 0.61 -0.02 0.00 -0.66 -0.98 105.19 107.10 3mnj n GLY 82 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.85 3mnj n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mnj n PRO 83 N 14.00 1.76 -3.29 1.61 -0.04 -1.26 -3.82 135.00 143.96 3mnj n PRO 83 Ca 0.00 -1.17 -0.32 0.00 -0.04 0.00 0.00 63.50 61.97 3mnj n PRO 83 Cb 0.00 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 3mnj n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mnj s LEU 84 N -1.00 4.11 -0.15 1.53 1.43 -0.15 -5.07 118.68 119.38 3mnj s LEU 84 Ca 0.22 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.35 3mnj s LEU 84 Cb 0.11 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 3mnj s LEU 84 CO 0.15 -0.14 -0.09 -1.81 0.23 0.00 0.00 176.35 174.69 3mnj s ASP 85 N -2.40 4.30 0.00 2.29 1.01 -1.26 -4.39 116.67 116.22 3mnj s ASP 85 Ca 0.50 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 53.48 3mnj s ASP 85 Cb -0.11 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.14 3mnj s ASP 85 CO 0.21 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.34 3mnj n GLY 86 N 3.69 -3.30 3.48 0.21 0.00 -1.26 -4.94 105.19 103.08 3mnj n GLY 86 Ca -0.18 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 3mnj n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mnj s THR 87 N -0.82 3.51 -0.15 2.61 2.01 -1.26 -4.60 115.64 116.94 3mnj s THR 87 Ca 0.00 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3mnj s THR 87 Cb 0.00 -2.48 -0.00 0.00 0.01 0.00 0.00 72.50 70.03 3mnj s THR 87 CO 0.00 0.54 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.99 3mnj s TYR 88 N -0.09 2.75 -0.05 4.92 1.51 -0.59 -1.31 117.35 124.49 3mnj s TYR 88 Ca 0.00 -1.05 -0.14 0.00 -1.01 0.00 0.00 57.07 54.86 3mnj s TYR 88 Cb -0.13 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.81 3mnj s TYR 88 CO 0.03 -0.47 0.37 1.03 -1.11 0.00 0.00 175.55 175.40 3mnj s ARG 89 N 0.74 3.98 0.04 -0.62 0.52 0.37 -0.55 118.95 123.44 3mnj s ARG 89 Ca -0.07 0.31 -0.31 0.00 -0.52 0.00 0.00 55.73 55.15 3mnj s ARG 89 Cb -0.16 -3.28 -0.06 0.00 0.52 0.00 0.00 34.95 31.97 3mnj s ARG 89 CO 0.01 0.56 1.35 -1.17 0.02 0.00 0.00 175.30 176.06 3mnj s LEU 90 N -0.60 4.34 -0.13 2.53 2.96 -0.29 -1.13 118.68 126.36 3mnj s LEU 90 Ca 0.22 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.28 3mnj s LEU 90 Cb -0.15 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.88 3mnj s LEU 90 CO 0.11 -0.65 -0.12 0.00 -1.32 0.00 0.00 176.35 174.37 3mnj n ILE 91 N 4.32 0.77 -3.44 6.68 3.06 -0.46 -4.55 119.36 125.74 3mnj n ILE 91 Ca 0.12 -0.29 -0.12 0.00 -2.50 0.00 0.00 62.75 59.95 3mnj n ILE 91 Cb 0.44 -1.01 -0.02 0.00 0.54 0.00 0.00 39.64 39.59 3mnj n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mnj s GLN 92 N -2.27 1.25 0.17 9.51 1.03 -1.22 -0.89 119.66 127.24 3mnj s GLN 92 Ca -0.18 -0.42 0.07 0.00 0.04 0.00 0.00 55.36 54.87 3mnj s GLN 92 Cb 0.05 0.58 -0.04 0.00 0.03 0.00 0.00 33.01 33.62 3mnj s GLN 92 CO 0.31 -0.53 -0.14 -0.59 -2.54 0.00 0.00 175.29 171.79 3mnj s PHE 93 N -3.53 1.56 0.32 9.60 -0.12 -0.36 -0.74 117.98 124.71 3mnj s PHE 93 Ca 0.00 -0.59 -0.13 0.00 -0.05 0.00 0.00 56.93 56.16 3mnj s PHE 93 Cb -0.01 -0.76 0.02 0.00 -0.63 0.00 0.00 43.02 41.64 3mnj s PHE 93 CO -0.11 0.25 0.61 -3.38 -0.05 0.00 0.00 175.22 172.54 3mnj s HIS 94 N -2.72 0.37 0.24 3.49 -3.43 -0.78 -0.78 115.29 111.68 3mnj s HIS 94 Ca 0.17 -0.80 0.07 0.00 -0.80 0.00 0.00 55.06 53.69 3mnj s HIS 94 Cb -0.02 0.40 -0.05 0.00 -1.43 0.00 0.00 32.58 31.48 3mnj s HIS 94 CO 0.05 -1.24 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.40 3mnj s PHE 95 N -3.28 1.82 -0.03 0.38 0.40 -1.26 -0.88 117.98 115.13 3mnj s PHE 95 Ca 0.20 -0.67 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 3mnj s PHE 95 Cb -0.03 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.53 3mnj s PHE 95 CO 0.12 0.28 -0.20 -1.01 0.70 0.00 0.00 175.22 175.11 3mnj s HIS 96 N -3.03 1.89 0.25 0.36 3.76 -0.28 -4.73 115.29 113.50 3mnj s HIS 96 Ca 0.26 -0.42 -0.10 0.00 -0.15 0.00 0.00 55.06 54.65 3mnj s HIS 96 Cb 0.02 -1.23 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 3mnj s HIS 96 CO 0.09 -0.08 0.41 1.67 -0.85 0.00 0.00 174.74 175.98 3mnj s TRP 97 N -0.34 0.57 0.51 1.40 -2.14 -1.22 -0.78 118.94 116.95 3mnj s TRP 97 Ca 0.04 -0.90 0.06 0.00 2.66 0.00 0.00 56.10 57.96 3mnj s TRP 97 Cb -0.09 0.02 0.02 0.00 -3.10 0.00 0.00 33.47 30.31 3mnj s TRP 97 CO 0.00 -0.94 0.36 0.20 -2.66 0.00 0.00 176.95 173.92 3mnj s GLY 98 N -3.06 2.35 0.27 3.67 0.00 -1.16 -1.00 107.32 108.38 3mnj s GLY 98 Ca 0.26 -1.45 0.25 0.00 0.00 0.00 0.00 44.72 43.78 3mnj s GLY 98 CO 0.10 -1.91 1.62 1.48 0.00 0.00 0.00 173.10 174.40 3mnj h SER 99 N 0.90 0.00 -4.42 1.64 4.64 -1.89 -3.39 113.55 111.03 3mnj h SER 99 Ca -0.38 -0.03 -0.28 0.00 -0.47 0.00 0.00 61.79 60.62 3mnj h SER 99 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 3mnj h SER 99 CO 0.59 0.01 -0.68 -0.76 -0.87 0.00 0.00 176.83 175.13 3mnj s LEU 100 N -5.04 2.26 0.44 5.97 1.43 -1.26 -5.05 118.68 117.42 3mnj s LEU 100 Ca 0.08 -1.12 0.30 0.00 -1.03 0.00 0.00 54.13 52.37 3mnj s LEU 100 Cb 0.10 -0.11 1.35 0.00 0.03 0.00 0.00 46.19 47.56 3mnj s LEU 100 CO 0.65 -0.51 1.90 0.44 0.23 0.00 0.00 176.35 179.06 3mnj h ASP 101 N 2.75 0.00 -0.34 2.29 3.32 -1.92 -2.97 116.42 119.56 3mnj h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3mnj h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3mnj h ASP 101 CO 0.63 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 3mnj n GLY 102 N -0.27 0.65 3.42 2.75 0.00 -1.26 -3.63 105.19 106.84 3mnj n GLY 102 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3mnj n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mnj s GLN 103 N -1.56 1.23 0.00 1.61 -2.07 -1.12 -4.71 119.66 113.04 3mnj s GLN 103 Ca 0.23 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 3mnj s GLN 103 Cb 0.12 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.53 3mnj s GLN 103 CO 0.15 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 174.03 3mnj n GLY 104 N -0.28 1.21 3.81 2.60 0.00 -1.04 -3.18 105.19 108.32 3mnj n GLY 104 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3mnj n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mnj s SER 105 N 0.00 6.01 -0.18 1.61 1.04 -0.41 -3.39 113.70 118.39 3mnj s SER 105 Ca 0.00 1.75 -0.17 0.00 0.48 0.00 0.00 55.95 58.01 3mnj s SER 105 Cb 0.00 -2.53 -0.13 0.00 0.10 0.00 0.00 66.02 63.47 3mnj s SER 105 CO 0.00 -1.01 0.07 -0.33 0.98 0.00 0.00 173.24 172.95 3mnj h GLU 106 N 0.56 0.00 -7.12 4.02 5.08 -1.90 -3.46 114.58 111.75 3mnj h GLU 106 Ca -0.47 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.40 3mnj h GLU 106 Cb 1.21 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.53 3mnj h GLU 106 CO 0.59 0.60 0.41 -1.01 -1.00 0.00 0.00 179.01 178.59 3mnj s HIS 107 N -2.30 2.76 0.17 4.33 3.76 -1.26 -4.44 115.29 118.31 3mnj s HIS 107 Ca -0.23 1.55 0.07 0.00 -0.15 0.00 0.00 55.06 56.30 3mnj s HIS 107 Cb 0.04 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 3mnj s HIS 107 CO 0.44 -1.40 -0.14 0.95 -0.85 0.00 0.00 174.74 173.74 3mnj s THR 108 N -2.00 1.57 -0.21 1.30 -4.23 -1.17 -4.69 115.64 106.20 3mnj s THR 108 Ca 0.69 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3mnj s THR 108 Cb -0.21 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 71.82 3mnj s THR 108 CO 0.30 -0.53 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.08 3mnj s VAL 109 N -2.68 1.47 -1.39 2.29 1.01 -0.86 -0.50 120.40 119.75 3mnj s VAL 109 Ca 0.17 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 3mnj s VAL 109 Cb -0.02 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3mnj s VAL 109 CO 0.05 0.05 0.38 0.47 0.00 0.00 0.00 175.10 176.05 3mnj n ASP 110 N 4.72 -1.01 0.00 3.32 8.00 0.89 -0.92 116.55 131.55 3mnj n ASP 110 Ca -0.13 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3mnj n ASP 110 Cb 0.46 -2.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.05 3mnj n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3mnj n LYS 111 N -4.51 -0.42 -2.64 -1.24 4.76 -1.26 -5.00 118.16 107.85 3mnj n LYS 111 Ca -0.27 0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 54.86 3mnj n LYS 111 Cb 0.66 -4.18 -0.03 0.00 -1.84 0.00 0.00 35.03 29.64 3mnj n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3mnj s LYS 112 N -0.98 4.56 0.01 1.97 2.20 -0.10 -5.01 119.74 122.39 3mnj s LYS 112 Ca 0.00 1.52 -0.09 0.00 -0.36 0.00 0.00 55.97 57.04 3mnj s LYS 112 Cb 0.00 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 3mnj s LYS 112 CO 0.00 -0.03 0.31 0.15 -0.36 0.00 0.00 175.35 175.42 3mnj s LYS 113 N 0.72 3.67 0.42 4.03 1.02 -1.26 -2.02 119.74 126.32 3mnj s LYS 113 Ca 0.52 0.07 0.08 0.00 0.02 0.00 0.00 55.97 56.66 3mnj s LYS 113 Cb -0.24 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3mnj s LYS 113 CO 0.29 0.65 0.43 0.71 -0.92 0.00 0.00 175.35 176.50 3mnj s TYR 114 N -1.26 2.72 0.28 3.18 2.02 -1.26 -4.76 117.35 118.27 3mnj s TYR 114 Ca 0.27 -0.47 0.17 0.00 -0.37 0.00 0.00 57.07 56.66 3mnj s TYR 114 Cb -0.14 -2.22 0.76 0.00 -0.40 0.00 0.00 41.96 39.96 3mnj s TYR 114 CO 0.15 -0.20 1.80 0.00 -1.57 0.00 0.00 175.55 175.72 3mnj h ALA 115 N 0.93 1.16 -2.67 3.71 0.00 -1.47 -1.00 119.26 119.93 3mnj h ALA 115 Ca -0.41 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.29 3mnj h ALA 115 Cb 1.27 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3mnj h ALA 115 CO 0.54 0.46 0.36 0.00 0.00 0.00 0.00 179.25 180.61 3mnj s ALA 116 N -3.89 -1.44 -0.05 0.00 0.00 -1.18 -2.99 121.76 112.21 3mnj s ALA 116 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 3mnj s ALA 116 Cb 0.13 0.74 0.04 0.00 0.00 0.00 0.00 23.12 24.03 3mnj s ALA 116 CO 0.69 -1.04 0.11 -2.00 0.00 0.00 0.00 175.76 173.52 3mnj s GLU 117 N -3.58 0.04 -0.13 0.00 2.12 0.04 -1.59 118.70 115.60 3mnj s GLU 117 Ca 0.12 0.33 -0.14 0.00 0.36 0.00 0.00 54.97 55.64 3mnj s GLU 117 Cb -0.04 -0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.09 3mnj s GLU 117 CO 0.05 -0.18 0.31 -1.17 -0.54 0.00 0.00 175.26 173.72 3mnj s LEU 118 N 1.25 4.29 -0.21 2.70 2.96 0.31 -1.13 118.68 128.85 3mnj s LEU 118 Ca -0.08 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 3mnj s LEU 118 Cb -0.12 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.21 3mnj s LEU 118 CO -0.05 0.15 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.97 3mnj s HIS 119 N 0.11 2.97 -0.32 5.38 3.76 -0.06 -1.16 115.29 125.97 3mnj s HIS 119 Ca 0.18 -1.90 -0.13 0.00 -0.15 0.00 0.00 55.06 53.07 3mnj s HIS 119 Cb -0.14 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.60 3mnj s HIS 119 CO 0.06 -0.83 0.25 -0.51 -0.85 0.00 0.00 174.74 172.85 3mnj s LEU 120 N 1.22 4.31 -0.20 0.89 1.43 -0.24 -1.86 118.68 124.23 3mnj s LEU 120 Ca -0.00 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 3mnj s LEU 120 Cb -0.16 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 3mnj s LEU 120 CO -0.10 -0.18 0.10 -0.69 0.23 0.00 0.00 176.35 175.71 3mnj s VAL 121 N 1.80 5.09 0.05 -1.59 1.01 0.08 -1.40 120.40 125.43 3mnj s VAL 121 Ca 0.08 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3mnj s VAL 121 Cb -0.17 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3mnj s VAL 121 CO 0.11 0.44 -0.09 -1.00 0.00 0.00 0.00 175.10 174.55 3mnj s HIS 122 N 0.48 0.82 0.10 5.22 3.76 -0.26 -1.35 115.29 124.05 3mnj s HIS 122 Ca 0.06 -0.46 0.09 0.00 -0.15 0.00 0.00 55.06 54.59 3mnj s HIS 122 Cb -0.12 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.05 3mnj s HIS 122 CO -0.00 -0.04 -0.23 1.67 -0.85 0.00 0.00 174.74 175.29 3mnj s TRP 123 N -1.26 1.98 -0.16 1.40 1.48 -0.28 -1.21 118.94 120.87 3mnj s TRP 123 Ca -0.07 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.28 3mnj s TRP 123 Cb -0.09 -1.09 -0.03 0.00 -1.16 0.00 0.00 33.47 31.10 3mnj s TRP 123 CO 0.01 0.23 1.46 1.21 -4.06 0.00 0.00 176.95 175.80 3mnj s ASN 124 N -1.87 6.70 0.22 -2.66 3.84 0.30 -0.47 114.94 120.99 3mnj s ASN 124 Ca 0.09 1.76 0.23 0.00 0.21 0.00 0.00 52.86 55.15 3mnj s ASN 124 Cb -0.10 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.99 3mnj s ASN 124 CO 0.04 -0.96 1.69 0.35 -2.79 0.00 0.00 177.10 175.43 3mnj n THR 125 N 5.75 0.82 0.28 -5.21 -2.24 -0.43 -1.59 114.28 111.67 3mnj n THR 125 Ca 0.16 0.19 0.15 0.00 -2.27 0.00 0.00 64.05 62.29 3mnj n THR 125 Cb 0.45 -1.09 0.82 0.00 -2.10 0.00 0.00 70.33 68.41 3mnj n THR 125 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3mnj h LYS 127 N 0.00 0.00 -0.01 -0.78 2.10 -1.91 -2.60 116.57 113.38 3mnj h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mnj h LYS 127 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3mnj h LYS 127 CO 0.00 0.07 -0.26 0.66 -2.00 0.00 0.00 179.45 177.93 3mnj n TYR 128 N -3.48 0.00 0.00 0.07 4.01 -0.62 -4.97 117.16 112.18 3mnj n TYR 128 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3mnj n TYR 128 Cb 0.21 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3mnj n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mnj n GLY 129 N 1.34 2.40 3.50 2.72 0.00 -0.98 -4.53 105.19 109.63 3mnj n GLY 129 Ca 0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3mnj n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mnj s ASP 130 N 0.26 -0.28 0.20 1.61 1.47 -1.26 -5.05 116.67 113.61 3mnj s ASP 130 Ca 0.00 -0.43 -0.09 0.00 1.18 0.00 0.00 52.55 53.22 3mnj s ASP 130 Cb 0.00 0.57 0.13 0.00 -0.34 0.00 0.00 42.92 43.28 3mnj s ASP 130 CO 0.00 -1.03 1.76 0.15 0.68 0.00 0.00 175.17 176.73 3mnj h PHE 131 N 2.20 1.13 -0.49 2.11 3.57 -1.95 -1.66 116.94 121.85 3mnj h PHE 131 Ca -0.30 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3mnj h PHE 131 Cb 1.27 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 3mnj h PHE 131 CO 0.34 0.87 0.31 0.78 -2.23 0.00 0.00 178.31 178.38 3mnj h GLY 132 N 1.06 0.70 1.36 2.40 0.00 -1.96 -1.94 103.07 104.69 3mnj h GLY 132 Ca 0.24 -0.27 -0.28 0.00 0.00 0.00 0.00 47.33 47.02 3mnj h GLY 132 CO -0.02 0.27 -1.20 0.50 0.00 0.00 0.00 176.54 176.09 3mnj h LYS 133 N 0.67 0.53 -0.93 4.80 1.79 -1.78 -3.32 116.57 118.33 3mnj h LYS 133 Ca 0.18 -0.71 0.07 0.00 -2.18 0.00 0.00 60.65 58.01 3mnj h LYS 133 Cb -0.05 0.23 -0.07 0.00 -1.58 0.00 0.00 32.23 30.77 3mnj h LYS 133 CO -0.04 1.31 0.58 0.00 -1.08 0.00 0.00 179.45 180.23 3mnj h ALA 134 N 0.42 1.30 0.00 3.86 0.00 -0.82 -2.47 119.26 121.55 3mnj h ALA 134 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3mnj h ALA 134 Cb 1.88 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3mnj h ALA 134 CO 0.22 0.32 0.00 1.33 0.00 0.00 0.00 179.25 181.12 3mnj n VAL 135 N -4.59 0.95 1.20 0.00 0.24 -0.78 -1.95 118.33 113.41 3mnj n VAL 135 Ca 0.14 0.41 0.10 0.00 -2.04 0.00 0.00 64.34 62.96 3mnj n VAL 135 Cb 0.21 -1.36 0.36 0.00 -1.47 0.00 0.00 33.84 31.58 3mnj n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mnj n GLN 136 N -2.18 1.74 -4.56 7.34 6.02 -0.93 -4.64 117.38 120.17 3mnj n GLN 136 Ca 0.01 -1.12 -0.30 0.00 -0.01 0.00 0.00 57.00 55.58 3mnj n GLN 136 Cb 0.15 -1.39 -0.13 0.00 1.02 0.00 0.00 30.24 29.89 3mnj n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3mnj s GLN 137 N -1.77 1.78 0.49 -1.09 -1.52 -0.82 -5.03 119.66 111.70 3mnj s GLN 137 Ca 0.32 -1.15 0.27 0.00 -1.95 0.00 0.00 55.36 52.85 3mnj s GLN 137 Cb 0.17 -2.06 1.22 0.00 -0.22 0.00 0.00 33.01 32.13 3mnj s GLN 137 CO 0.26 0.50 1.95 -1.00 -0.25 0.00 0.00 175.29 176.75 3mnj h PRO 138 N 4.24 0.00 -0.50 2.91 0.13 -1.86 -2.62 132.00 134.30 3mnj h PRO 138 Ca -0.49 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.31 3mnj h PRO 138 Cb 1.16 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 3mnj h PRO 138 CO 0.44 0.15 -0.36 -0.40 -0.23 0.00 0.00 178.00 177.61 3mnj n ASP 139 N -3.43 3.77 0.06 1.44 5.75 -1.26 -4.22 116.55 118.66 3mnj n ASP 139 Ca -0.01 -3.80 -0.15 0.00 -0.01 0.00 0.00 54.79 50.82 3mnj n ASP 139 Cb 0.33 -0.54 -0.14 0.00 -1.03 0.00 0.00 41.12 39.75 3mnj n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3mnj h GLY 140 N 1.55 0.24 -3.84 6.12 0.00 -1.27 -3.43 103.07 102.44 3mnj h GLY 140 Ca 0.27 -0.62 -0.67 0.00 0.00 0.00 0.00 47.33 46.31 3mnj h GLY 140 CO 0.57 0.55 -0.81 1.08 0.00 0.00 0.00 176.54 177.93 3mnj s LEU 141 N -6.92 2.62 -0.11 3.11 1.43 0.15 -0.54 118.68 118.43 3mnj s LEU 141 Ca -0.07 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3mnj s LEU 141 Cb 0.07 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.87 3mnj s LEU 141 CO 0.85 0.16 -0.12 0.00 0.23 0.00 0.00 176.35 177.47 3mnj s ALA 142 N -1.27 1.50 -0.16 4.21 0.00 -0.35 -1.09 121.76 124.59 3mnj s ALA 142 Ca 0.18 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 3mnj s ALA 142 Cb -0.10 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 3mnj s ALA 142 CO 0.10 -0.20 -0.14 0.08 0.00 0.00 0.00 175.76 175.60 3mnj s VAL 143 N 1.24 2.75 -0.14 0.00 1.01 -0.89 -1.10 120.40 123.27 3mnj s VAL 143 Ca -0.03 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 3mnj s VAL 143 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3mnj s VAL 143 CO -0.04 0.51 0.54 -0.22 0.00 0.00 0.00 175.10 175.89 3mnj s LEU 144 N 0.80 4.23 -0.11 3.92 2.96 -0.49 -1.34 118.68 128.66 3mnj s LEU 144 Ca -0.05 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 3mnj s LEU 144 Cb -0.15 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 3mnj s LEU 144 CO 0.00 -0.10 -0.14 -0.83 -1.32 0.00 0.00 176.35 173.96 3mnj s GLY 145 N 0.87 1.53 -0.08 7.98 0.00 0.33 -1.08 107.32 116.87 3mnj s GLY 145 Ca 0.27 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 44.08 3mnj s GLY 145 CO 0.11 -0.36 -0.08 -0.42 0.00 0.00 0.00 173.10 172.34 3mnj s ILE 146 N 0.03 0.94 0.35 0.90 1.01 -0.31 -0.85 121.20 123.27 3mnj s ILE 146 Ca -0.05 -0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 3mnj s ILE 146 Cb -0.14 -0.93 -0.10 0.00 0.01 0.00 0.00 42.46 41.30 3mnj s ILE 146 CO 0.04 0.33 0.94 -0.36 0.00 0.00 0.00 174.94 175.89 3mnj s PHE 147 N 1.20 3.59 -0.18 3.97 0.08 -1.26 -0.53 117.98 124.86 3mnj s PHE 147 Ca -0.05 1.73 -0.02 0.00 0.12 0.00 0.00 56.93 58.70 3mnj s PHE 147 Cb -0.14 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.40 3mnj s PHE 147 CO -0.02 0.13 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.63 3mnj s LEU 148 N -2.35 2.83 0.28 -0.37 1.02 -0.62 -1.12 118.68 118.35 3mnj s LEU 148 Ca 0.53 -0.35 0.08 0.00 0.02 0.00 0.00 54.13 54.41 3mnj s LEU 148 Cb -0.16 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.33 3mnj s LEU 148 CO 0.21 0.07 0.16 -1.59 0.02 0.00 0.00 176.35 175.22 3mnj s LYS 149 N 0.91 2.66 -0.17 1.70 -2.85 -0.21 -2.01 119.74 119.77 3mnj s LYS 149 Ca -0.02 -1.26 -0.16 0.00 -1.00 0.00 0.00 55.97 53.54 3mnj s LYS 149 Cb -0.15 -2.40 -0.04 0.00 -2.06 0.00 0.00 37.83 33.18 3mnj s LYS 149 CO 0.00 0.29 0.38 0.08 0.10 0.00 0.00 175.35 176.20 3mnj s VAL 150 N -2.26 5.24 0.00 1.79 1.01 -1.26 -0.89 120.40 124.03 3mnj s VAL 150 Ca 0.35 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.03 3mnj s VAL 150 Cb -0.06 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3mnj s VAL 150 CO 0.24 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3mnj n GLY 151 N 3.61 0.35 3.79 4.51 0.00 0.60 -4.89 105.19 113.16 3mnj n GLY 151 Ca -0.09 0.50 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 3mnj n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mnj s SER 152 N 2.00 6.20 0.64 1.61 0.01 -1.26 -4.04 113.70 118.85 3mnj s SER 152 Ca 0.00 1.98 -0.18 0.00 1.31 0.00 0.00 55.95 59.06 3mnj s SER 152 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 3mnj s SER 152 CO 0.00 -0.88 1.25 0.00 0.41 0.00 0.00 173.24 174.02 3mnj s ALA 153 N -1.95 2.41 -0.39 1.44 0.00 -1.26 -2.68 121.76 119.33 3mnj s ALA 153 Ca 0.68 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 3mnj s ALA 153 Cb -0.18 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.48 3mnj s ALA 153 CO 0.22 -1.46 0.22 0.21 0.00 0.00 0.00 175.76 174.95 3mnj s LYS 154 N -3.42 2.76 0.32 0.00 2.47 -1.24 -4.81 119.74 115.82 3mnj s LYS 154 Ca 0.80 -1.19 0.00 0.00 -1.56 0.00 0.00 55.97 54.02 3mnj s LYS 154 Cb -0.34 -3.75 0.54 0.00 -1.46 0.00 0.00 37.83 32.83 3mnj s LYS 154 CO 0.38 -0.77 1.97 -1.35 0.16 0.00 0.00 175.35 175.73 3mnj h PRO 155 N 8.43 0.97 0.00 4.03 0.11 -1.92 -1.85 132.00 141.77 3mnj h PRO 155 Ca -0.25 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3mnj h PRO 155 Cb 1.10 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3mnj h PRO 155 CO 0.69 0.64 0.00 0.41 -0.21 0.00 0.00 178.00 179.53 3mnj n GLY 156 N -1.42 -0.99 0.04 -0.55 0.00 -1.26 -1.66 105.19 99.35 3mnj n GLY 156 Ca 0.09 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3mnj n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3mnj n LEU 157 N -1.41 0.64 -0.07 0.99 7.94 -0.70 -4.53 117.00 119.87 3mnj n LEU 157 Ca 0.06 0.10 0.01 0.00 -1.11 0.00 0.00 56.01 55.07 3mnj n LEU 157 Cb 0.17 -0.16 0.31 0.00 0.53 0.00 0.00 43.42 44.28 3mnj n LEU 157 CO 0.15 0.01 1.09 -0.61 -1.11 0.00 0.00 177.39 176.92 3mnj h GLN 158 N 0.00 0.68 -0.75 1.96 5.75 -1.36 -1.68 115.11 119.70 3mnj h GLN 158 Ca 0.00 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3mnj h GLN 158 Cb 0.70 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.08 3mnj h GLN 158 CO 0.00 0.54 0.49 -0.22 -2.65 0.00 0.00 178.83 176.99 3mnj h LYS 159 N 0.68 0.88 -0.20 1.69 3.64 -1.79 -0.00 116.57 121.47 3mnj h LYS 159 Ca 0.17 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3mnj h LYS 159 Cb 0.09 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3mnj h LYS 159 CO -0.02 0.58 -0.14 0.28 -2.27 0.00 0.00 179.45 177.88 3mnj h VAL 160 N 0.91 1.32 -0.85 2.00 2.07 -1.62 -3.20 116.25 116.87 3mnj h VAL 160 Ca 0.30 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.58 3mnj h VAL 160 Cb 0.07 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 3mnj h VAL 160 CO -0.09 0.38 0.56 0.58 0.02 0.00 0.00 177.57 179.02 3mnj h VAL 161 N 0.12 1.17 0.00 2.57 2.07 -0.84 -2.67 116.25 118.67 3mnj h VAL 161 Ca 0.04 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3mnj h VAL 161 Cb 0.66 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3mnj h VAL 161 CO 0.04 0.20 -0.14 0.44 0.02 0.00 0.00 177.57 178.13 3mnj h ASP 162 N 1.11 0.00 0.56 0.57 3.32 -1.02 -2.97 116.42 117.99 3mnj h ASP 162 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3mnj h ASP 162 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3mnj h ASP 162 CO -0.09 0.14 -0.64 0.52 -1.72 0.00 0.00 179.24 177.45 3mnj n VAL 163 N -3.69 0.12 -0.03 -1.35 0.31 -1.01 -4.32 118.33 108.36 3mnj n VAL 163 Ca -0.02 -0.11 0.06 0.00 -0.01 0.00 0.00 64.34 64.26 3mnj n VAL 163 Cb 0.26 0.17 0.43 0.00 -0.91 0.00 0.00 33.84 33.80 3mnj n VAL 163 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3mnj h LEU 164 N 0.00 0.46 -1.58 7.52 3.38 -1.51 0.43 115.31 124.01 3mnj h LEU 164 Ca 0.00 -0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.23 3mnj h LEU 164 Cb 0.60 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 3mnj h LEU 164 CO 0.00 0.32 0.68 0.44 0.09 0.00 0.00 178.44 179.97 3mnj h ASP 165 N 0.54 0.31 0.46 -0.43 3.32 -1.79 -2.02 116.42 116.81 3mnj h ASP 165 Ca 0.19 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mnj h ASP 165 Cb 0.09 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3mnj h ASP 165 CO -0.05 0.08 -0.16 -1.54 -1.72 0.00 0.00 179.24 175.85 3mnj n SER 166 N -4.48 0.45 -2.50 6.45 3.41 0.14 -3.76 113.62 113.33 3mnj n SER 166 Ca 0.23 -0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.30 3mnj n SER 166 Cb 0.91 -0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.81 3mnj n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3mnj n ILE 167 N -1.08 1.78 -0.06 -1.33 -5.35 -0.76 -4.71 119.36 107.84 3mnj n ILE 167 Ca 0.12 -3.68 0.03 0.00 -0.27 0.00 0.00 62.75 58.96 3mnj n ILE 167 Cb 0.30 0.02 0.38 0.00 -1.74 0.00 0.00 39.64 38.59 3mnj n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3mnj h LYS 168 N 2.55 0.66 -6.39 6.28 3.64 -1.63 -3.42 116.57 118.26 3mnj h LYS 168 Ca 0.10 -0.04 -0.62 0.00 -1.27 0.00 0.00 60.65 58.81 3mnj h LYS 168 Cb 1.28 -0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.80 3mnj h LYS 168 CO 0.53 0.44 -0.76 0.95 -2.27 0.00 0.00 179.45 178.34 3mnj s THR 169 N -5.59 2.70 0.12 1.00 -4.23 -1.26 -0.48 115.64 107.89 3mnj s THR 169 Ca -0.09 -2.08 -0.35 0.00 -1.18 0.00 0.00 61.69 57.99 3mnj s THR 169 Cb 0.18 -2.37 -0.15 0.00 1.34 0.00 0.00 72.50 71.50 3mnj s THR 169 CO 0.75 -0.25 1.51 1.21 -0.54 0.00 0.00 174.62 177.30 3mnj n GLU 170 N -0.24 1.81 0.00 3.99 2.13 -0.24 -2.11 120.64 125.98 3mnj n GLU 170 Ca -0.09 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3mnj n GLU 170 Cb 0.58 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.90 3mnj n GLU 170 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mnj n GLY 171 N 3.16 1.59 3.78 8.31 0.00 0.93 -4.51 105.19 118.45 3mnj n GLY 171 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3mnj n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mnj s LYS 172 N -0.70 4.26 0.04 1.61 -0.14 -0.90 -4.87 119.74 119.04 3mnj s LYS 172 Ca 0.00 1.49 -0.01 0.00 -1.36 0.00 0.00 55.97 56.10 3mnj s LYS 172 Cb 0.00 -2.61 -0.03 0.00 -1.68 0.00 0.00 37.83 33.51 3mnj s LYS 172 CO 0.00 -0.05 -0.03 -1.54 -0.76 0.00 0.00 175.35 172.97 3mnj s SER 173 N -1.55 0.38 0.02 2.83 1.04 -1.26 -1.09 113.70 114.07 3mnj s SER 173 Ca 0.56 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3mnj s SER 173 Cb -0.22 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 3mnj s SER 173 CO 0.27 -0.47 -0.03 0.00 0.98 0.00 0.00 173.24 174.00 3mnj s ALA 174 N -2.83 0.15 0.34 5.32 0.00 0.36 -4.94 121.76 120.16 3mnj s ALA 174 Ca -0.03 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 3mnj s ALA 174 Cb -0.00 0.14 -0.12 0.00 0.00 0.00 0.00 23.12 23.15 3mnj s ALA 174 CO -0.06 -0.15 1.44 -0.25 0.00 0.00 0.00 175.76 176.74 3mnj n ASP 175 N 1.59 3.43 -3.08 0.00 8.00 -1.26 -1.00 116.55 124.23 3mnj n ASP 175 Ca -0.24 1.20 -0.17 0.00 0.71 0.00 0.00 54.79 56.29 3mnj n ASP 175 Cb 0.55 -1.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.05 3mnj n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3mnj n PHE 176 N 0.82 -2.02 -4.00 1.24 7.35 -0.42 -4.72 117.46 115.71 3mnj n PHE 176 Ca 0.04 -2.57 -0.22 0.00 -0.76 0.00 0.00 57.45 53.95 3mnj n PHE 176 Cb 0.37 0.69 -0.03 0.00 0.35 0.00 0.00 39.48 40.86 3mnj n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3mnj s THR 177 N 0.15 5.06 -1.33 -2.13 -4.23 -1.26 -3.39 115.64 108.50 3mnj s THR 177 Ca 0.32 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 3mnj s THR 177 Cb 0.08 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.19 3mnj s THR 177 CO -0.15 -0.32 0.09 0.59 -0.54 0.00 0.00 174.62 174.30 3mnj n ASN 178 N -1.28 -4.83 -4.74 3.99 4.13 -1.26 -4.98 115.26 106.29 3mnj n ASN 178 Ca -0.09 -0.06 -0.38 0.00 1.68 0.00 0.00 54.58 55.74 3mnj n ASN 178 Cb 0.57 -3.90 -0.06 0.00 -1.54 0.00 0.00 39.78 34.86 3mnj n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3mnj s PHE 179 N -2.84 3.57 -0.40 3.10 5.36 -1.26 -5.02 117.98 120.48 3mnj s PHE 179 Ca 0.05 1.00 -0.12 0.00 -0.96 0.00 0.00 56.93 56.90 3mnj s PHE 179 Cb -0.02 -2.57 0.04 0.00 -0.34 0.00 0.00 43.02 40.13 3mnj s PHE 179 CO 0.06 0.23 0.25 0.34 -1.46 0.00 0.00 175.22 174.64 3mnj s ASP 180 N 0.36 5.82 0.00 6.13 -1.08 -1.26 -4.43 116.67 122.20 3mnj s ASP 180 Ca 0.28 -1.13 0.16 0.00 -0.52 0.00 0.00 52.55 51.34 3mnj s ASP 180 Cb -0.16 -2.05 0.78 0.00 -1.46 0.00 0.00 42.92 40.02 3mnj s ASP 180 CO 0.13 -0.46 1.46 -0.81 0.52 0.00 0.00 175.17 176.01 3mnj n PRO 181 N 5.03 0.19 0.30 4.34 -0.04 -1.26 -2.39 135.00 141.17 3mnj n PRO 181 Ca -0.11 0.15 0.18 0.00 -0.04 0.00 0.00 63.50 63.68 3mnj n PRO 181 Cb 0.45 -1.50 0.94 0.00 -0.04 0.00 0.00 33.50 33.35 3mnj n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mnj h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.15 114.38 114.93 3mnj h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mnj h ARG 182 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3mnj h ARG 182 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 3mnj n GLY 183 N -0.75 -0.85 0.79 0.04 0.00 -1.00 -3.02 105.19 100.39 3mnj n GLY 183 Ca -0.02 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3mnj n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mnj n LEU 184 N -1.01 2.63 -4.82 0.99 4.77 -0.43 -4.46 117.00 114.67 3mnj n LEU 184 Ca 0.20 -0.93 -0.38 0.00 -0.03 0.00 0.00 56.01 54.87 3mnj n LEU 184 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3mnj n LEU 184 CO 0.15 0.45 0.21 -0.76 -1.33 0.00 0.00 177.39 176.12 3mnj s LEU 185 N -2.05 4.50 1.05 2.23 1.43 -1.17 -4.93 118.68 119.74 3mnj s LEU 185 Ca 0.24 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 3mnj s LEU 185 Cb 0.19 -2.81 0.22 0.00 0.03 0.00 0.00 46.19 43.81 3mnj s LEU 185 CO 0.36 0.28 1.14 -2.16 0.23 0.00 0.00 176.35 176.21 3mnj s PRO 186 N -1.15 -0.00 0.18 1.29 0.04 -1.26 -4.97 135.00 129.12 3mnj s PRO 186 Ca 0.28 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 3mnj s PRO 186 Cb -0.18 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 32.71 3mnj s PRO 186 CO 0.17 -2.93 1.69 0.93 0.04 0.00 0.00 177.00 176.90 3mnj h GLU 187 N -2.02 0.98 -5.74 4.56 5.08 -1.92 -3.43 114.58 112.08 3mnj h GLU 187 Ca -0.49 -0.23 -0.66 0.00 -1.00 0.00 0.00 59.36 56.98 3mnj h GLU 187 Cb 1.31 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 3mnj h GLU 187 CO 0.47 0.89 -0.51 0.45 -1.00 0.00 0.00 179.01 179.32 3mnj s SER 188 N -6.30 6.21 -0.16 1.42 0.15 -1.26 -5.00 113.70 108.77 3mnj s SER 188 Ca -0.12 0.38 0.17 0.00 0.70 0.00 0.00 55.95 57.07 3mnj s SER 188 Cb 0.13 -1.96 0.73 0.00 -1.71 0.00 0.00 66.02 63.21 3mnj s SER 188 CO 0.82 0.36 1.64 0.18 1.20 0.00 0.00 173.24 177.44 3mnj n LEU 189 N 1.67 4.96 -4.76 3.45 4.77 -1.26 -4.72 117.00 121.10 3mnj n LEU 189 Ca -0.17 -2.64 -0.39 0.00 -0.03 0.00 0.00 56.01 52.78 3mnj n LEU 189 Cb 0.54 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3mnj n LEU 189 CO 0.34 0.74 0.96 -1.81 -1.33 0.00 0.00 177.39 176.30 3mnj s ASP 190 N -0.97 6.08 0.14 -1.43 1.01 -1.26 -4.76 116.67 115.48 3mnj s ASP 190 Ca 0.51 2.66 -0.12 0.00 0.71 0.00 0.00 52.55 56.31 3mnj s ASP 190 Cb 0.35 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.66 3mnj s ASP 190 CO 0.20 -1.01 0.32 -0.72 0.21 0.00 0.00 175.17 174.17 3mnj s TYR 191 N -1.30 0.11 0.04 4.23 -0.85 -1.26 -1.40 117.35 116.92 3mnj s TYR 191 Ca 0.60 -0.48 0.03 0.00 -0.52 0.00 0.00 57.07 56.70 3mnj s TYR 191 Cb -0.38 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.00 3mnj s TYR 191 CO 0.48 -0.69 0.02 -1.58 -1.52 0.00 0.00 175.55 172.25 3mnj s TRP 192 N -3.88 3.07 0.02 -3.49 0.51 -0.15 -0.57 118.94 114.45 3mnj s TRP 192 Ca 0.09 0.05 0.02 0.00 -2.12 0.00 0.00 56.10 54.14 3mnj s TRP 192 Cb 0.03 -1.62 -0.01 0.00 -0.81 0.00 0.00 33.47 31.06 3mnj s TRP 192 CO -0.06 0.48 -0.06 -0.08 -0.51 0.00 0.00 176.95 176.71 3mnj s THR 193 N -1.22 0.45 0.18 2.01 -1.32 0.52 -0.77 115.64 115.49 3mnj s THR 193 Ca 0.23 -0.63 -0.18 0.00 -1.21 0.00 0.00 61.69 59.90 3mnj s THR 193 Cb -0.12 -0.45 0.03 0.00 -1.51 0.00 0.00 72.50 70.45 3mnj s THR 193 CO 0.15 -0.14 0.51 -0.72 -2.21 0.00 0.00 174.62 172.22 3mnj s TYR 194 N -0.74 -0.18 -0.04 9.09 1.13 -1.01 -1.32 117.35 124.28 3mnj s TYR 194 Ca -0.04 -0.14 -0.22 0.00 -1.41 0.00 0.00 57.07 55.26 3mnj s TYR 194 Cb -0.06 0.39 -0.05 0.00 -1.10 0.00 0.00 41.96 41.15 3mnj s TYR 194 CO 0.00 -0.88 0.64 -1.25 -2.51 0.00 0.00 175.55 171.55 3mnj s PRO 195 N -3.85 4.38 0.00 -3.49 0.04 -1.26 -1.11 135.00 129.71 3mnj s PRO 195 Ca 0.07 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.89 3mnj s PRO 195 Cb -0.01 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.14 3mnj s PRO 195 CO -0.05 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.61 3mnj n GLY 196 N 2.80 3.95 3.27 0.56 0.00 0.80 -4.85 105.19 111.72 3mnj n GLY 196 Ca -0.04 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 3mnj n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mnj s SER 197 N 1.69 0.88 0.59 1.61 1.04 -1.12 -2.32 113.70 116.07 3mnj s SER 197 Ca 0.00 -1.35 -0.20 0.00 0.48 0.00 0.00 55.95 54.87 3mnj s SER 197 Cb 0.00 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 3mnj s SER 197 CO 0.00 -0.74 1.35 -0.76 0.98 0.00 0.00 173.24 174.07 3mnj s LEU 198 N -3.24 3.74 0.00 2.42 1.43 -0.53 -4.51 118.68 117.98 3mnj s LEU 198 Ca 0.36 2.74 0.22 0.00 -1.03 0.00 0.00 54.13 56.42 3mnj s LEU 198 Cb 0.07 -4.40 0.35 0.00 0.03 0.00 0.00 46.19 42.24 3mnj s LEU 198 CO 0.11 -1.77 1.33 0.35 0.23 0.00 0.00 176.35 176.61 3mnj n THR 199 N -1.38 0.40 -4.45 5.49 -2.24 -1.26 -4.45 114.28 106.39 3mnj n THR 199 Ca 0.13 -0.70 -0.23 0.00 -2.27 0.00 0.00 64.05 60.98 3mnj n THR 199 Cb 0.46 1.08 -0.10 0.00 -2.10 0.00 0.00 70.33 69.67 3mnj n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3mnj s THR 200 N -1.52 2.35 0.28 4.28 -4.23 -1.26 -4.73 115.64 110.80 3mnj s THR 200 Ca 0.34 -2.37 -0.29 0.00 -1.18 0.00 0.00 61.69 58.19 3mnj s THR 200 Cb 0.21 -2.27 -0.14 0.00 1.34 0.00 0.00 72.50 71.64 3mnj s THR 200 CO 0.29 -0.43 1.09 -2.65 -0.54 0.00 0.00 174.62 172.39 3mnj n PRO 201 N -0.58 1.46 -0.09 3.99 -0.02 -1.26 -0.61 135.00 137.89 3mnj n PRO 201 Ca -0.05 0.51 0.03 0.00 -2.02 0.00 0.00 63.50 61.97 3mnj n PRO 201 Cb 0.60 -1.95 0.07 0.00 -0.02 0.00 0.00 33.50 32.21 3mnj n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3mnj n PRO 202 N 0.94 1.41 -2.32 0.52 -0.04 -1.26 -5.01 135.00 129.24 3mnj n PRO 202 Ca 0.10 -0.59 -0.21 0.00 -0.04 0.00 0.00 63.50 62.76 3mnj n PRO 202 Cb 0.31 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 3mnj n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3mnj n LEU 203 N -0.01 -1.89 -4.76 1.53 4.77 0.22 -4.91 117.00 111.95 3mnj n LEU 203 Ca 0.05 0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.69 3mnj n LEU 203 Cb 0.16 -2.92 0.01 0.00 -2.33 0.00 0.00 43.42 38.33 3mnj n LEU 203 CO 0.04 -0.30 0.92 -0.76 -1.33 0.00 0.00 177.39 175.96 3mnj s LEU 204 N -5.90 4.05 -1.24 2.23 1.43 -1.26 -4.47 118.68 113.51 3mnj s LEU 204 Ca 0.00 2.56 -0.08 0.00 -1.03 0.00 0.00 54.13 55.58 3mnj s LEU 204 Cb 0.00 -4.12 0.19 0.00 0.03 0.00 0.00 46.19 42.30 3mnj s LEU 204 CO 0.00 -1.06 1.80 -0.62 0.23 0.00 0.00 176.35 176.70 3mnj n GLU 205 N -0.38 3.79 -0.18 1.70 1.02 -1.26 -1.45 120.64 123.87 3mnj n GLU 205 Ca 0.07 -3.73 0.03 0.00 -0.02 0.00 0.00 57.16 53.51 3mnj n GLU 205 Cb 0.45 -2.85 0.05 0.00 -0.02 0.00 0.00 31.44 29.08 3mnj n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mnj s VAL 207 N -1.14 2.86 -0.37 0.00 1.01 -0.98 -0.67 120.40 121.11 3mnj s VAL 207 Ca 0.11 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 3mnj s VAL 207 Cb 0.09 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3mnj s VAL 207 CO 0.01 0.51 0.58 -0.89 0.00 0.00 0.00 175.10 175.32 3mnj s THR 208 N 0.69 4.93 0.17 3.92 2.01 -0.25 -0.14 115.64 126.97 3mnj s THR 208 Ca -0.07 0.38 -0.23 0.00 0.31 0.00 0.00 61.69 62.08 3mnj s THR 208 Cb -0.15 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 3mnj s THR 208 CO 0.02 -0.33 0.74 0.26 -0.69 0.00 0.00 174.62 174.62 3mnj s TRP 209 N 2.59 3.83 -0.28 4.92 0.52 -0.27 -2.09 118.94 128.16 3mnj s TRP 209 Ca 0.22 1.53 -0.01 0.00 0.02 0.00 0.00 56.10 57.85 3mnj s TRP 209 Cb -0.15 -2.70 0.09 0.00 -1.15 0.00 0.00 33.47 29.56 3mnj s TRP 209 CO 0.15 0.47 0.08 0.42 0.02 0.00 0.00 176.95 178.10 3mnj s ILE 210 N -1.25 0.75 -0.22 2.03 1.01 -0.45 -2.41 121.20 120.66 3mnj s ILE 210 Ca 0.37 -1.17 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 3mnj s ILE 210 Cb -0.21 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3mnj s ILE 210 CO 0.24 -0.57 0.03 -0.69 0.00 0.00 0.00 174.94 173.96 3mnj s VAL 211 N 1.70 4.18 0.27 2.92 1.01 0.05 -0.52 120.40 130.01 3mnj s VAL 211 Ca 0.07 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 3mnj s VAL 211 Cb -0.17 -2.91 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 3mnj s VAL 211 CO -0.22 0.40 0.99 -0.76 0.00 0.00 0.00 175.10 175.50 3mnj s LEU 212 N 1.16 4.55 0.18 3.92 1.43 -0.03 -0.97 118.68 128.91 3mnj s LEU 212 Ca 0.04 2.02 -0.09 0.00 -1.03 0.00 0.00 54.13 55.07 3mnj s LEU 212 Cb -0.14 -3.71 0.06 0.00 0.03 0.00 0.00 46.19 42.42 3mnj s LEU 212 CO 0.02 0.01 1.59 0.50 0.23 0.00 0.00 176.35 178.71 3mnj h LYS 213 N 3.81 1.00 -5.46 1.70 3.64 -1.57 -3.43 116.57 116.27 3mnj h LYS 213 Ca -0.46 -0.38 -0.61 0.00 -1.27 0.00 0.00 60.65 57.93 3mnj h LYS 213 Cb 1.20 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.85 3mnj h LYS 213 CO 0.67 1.06 0.08 -2.00 -2.27 0.00 0.00 179.45 177.00 3mnj s GLU 214 N -4.79 4.10 0.74 1.90 2.12 -1.26 -5.02 118.70 116.49 3mnj s GLU 214 Ca -0.11 0.46 -0.11 0.00 0.36 0.00 0.00 54.97 55.57 3mnj s GLU 214 Cb 0.13 -3.64 0.04 0.00 0.26 0.00 0.00 34.13 30.91 3mnj s GLU 214 CO 0.86 -0.37 1.07 -1.25 -0.54 0.00 0.00 175.26 175.04 3mnj s PRO 215 N 2.36 2.55 0.12 4.30 0.04 -1.26 -4.68 135.00 138.44 3mnj s PRO 215 Ca 0.24 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.24 3mnj s PRO 215 Cb -0.16 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3mnj s PRO 215 CO 0.09 -1.37 0.29 0.96 0.04 0.00 0.00 177.00 177.00 3mnj s ILE 216 N -3.02 5.31 -0.10 0.56 -4.36 -0.27 -4.89 121.20 114.42 3mnj s ILE 216 Ca 0.59 -0.43 -0.09 0.00 -0.26 0.00 0.00 60.65 60.47 3mnj s ILE 216 Cb -0.15 -3.68 -0.04 0.00 1.25 0.00 0.00 42.46 39.83 3mnj s ILE 216 CO 0.55 -0.00 0.20 -0.44 0.24 0.00 0.00 174.94 175.49 3mnj s SER 217 N -2.85 6.46 0.22 4.36 0.01 -1.26 -1.05 113.70 119.59 3mnj s SER 217 Ca 0.36 0.55 0.08 0.00 1.31 0.00 0.00 55.95 58.25 3mnj s SER 217 Cb -0.12 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 3mnj s SER 217 CO 0.28 0.36 -0.14 0.68 0.41 0.00 0.00 173.24 174.84 3mnj s VAL 218 N -0.87 1.78 0.43 3.43 -7.23 -0.07 -3.60 120.40 114.26 3mnj s VAL 218 Ca 0.16 -2.22 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 3mnj s VAL 218 Cb -0.13 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 3mnj s VAL 218 CO 0.05 -0.55 0.78 -0.94 -0.31 0.00 0.00 175.10 174.14 3mnj s SER 219 N -3.35 6.43 0.34 4.85 1.04 -1.19 -0.29 113.70 121.53 3mnj s SER 219 Ca 0.24 1.08 0.10 0.00 0.48 0.00 0.00 55.95 57.85 3mnj s SER 219 Cb -0.01 -2.30 0.88 0.00 0.10 0.00 0.00 66.02 64.69 3mnj s SER 219 CO 0.08 -0.47 1.78 -1.28 0.98 0.00 0.00 173.24 174.33 3mnj h SER 220 N 0.89 0.65 0.09 7.02 0.87 -1.93 -1.96 113.55 119.18 3mnj h SER 220 Ca -0.47 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.05 3mnj h SER 220 Cb 1.19 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 3mnj h SER 220 CO 0.63 0.20 -0.47 -0.33 -0.53 0.00 0.00 176.83 176.33 3mnj h GLU 221 N 0.62 0.44 -0.16 2.24 3.07 -1.95 -0.19 114.58 118.65 3mnj h GLU 221 Ca 0.58 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 3mnj h GLU 221 Cb 1.10 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 3mnj h GLU 221 CO -0.35 0.82 0.04 1.96 -1.40 0.00 0.00 179.01 180.08 3mnj h GLN 222 N 0.36 0.25 0.00 2.33 4.20 -1.75 -3.02 115.11 117.48 3mnj h GLN 222 Ca 0.02 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3mnj h GLN 222 Cb 0.96 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3mnj h GLN 222 CO 0.08 0.39 -0.33 -0.39 -0.67 0.00 0.00 178.83 177.91 3mnj h VAL 223 N 0.07 0.64 -0.98 -0.54 -1.51 -1.23 -2.63 116.25 110.07 3mnj h VAL 223 Ca 0.05 -1.58 0.06 0.00 -1.23 0.00 0.00 66.70 64.00 3mnj h VAL 223 Cb 0.24 2.07 -0.06 0.00 -2.13 0.00 0.00 31.29 31.41 3mnj h VAL 223 CO -0.00 0.32 0.63 -0.07 -1.23 0.00 0.00 177.57 177.22 3mnj h LEU 224 N 0.00 1.03 -1.03 4.19 -0.00 -0.96 -1.98 115.31 116.56 3mnj h LEU 224 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 3mnj h LEU 224 Cb 1.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.47 3mnj h LEU 224 CO 0.04 0.67 -0.21 0.11 -0.00 0.00 0.00 178.44 179.05 3mnj h LYS 225 N 1.17 0.44 -0.99 1.13 1.57 -1.34 -1.96 116.57 116.59 3mnj h LYS 225 Ca 0.42 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 59.12 3mnj h LYS 225 Cb 0.12 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 3mnj h LYS 225 CO -0.16 0.64 0.63 0.74 -0.57 0.00 0.00 179.45 180.73 3mnj h PHE 226 N 0.40 1.17 0.00 -1.35 -1.00 -1.37 -2.57 116.94 112.23 3mnj h PHE 226 Ca 0.07 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.88 3mnj h PHE 226 Cb 0.60 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 39.78 3mnj h PHE 226 CO 0.02 0.57 0.00 0.54 -1.61 0.00 0.00 178.31 177.83 3mnj n ARG 227 N -4.54 0.44 0.00 1.51 1.74 -0.74 -2.72 116.66 112.34 3mnj n ARG 227 Ca 0.16 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 3mnj n ARG 227 Cb 0.22 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.34 3mnj n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mnj n LYS 228 N -1.17 0.11 -1.32 5.56 5.02 -0.97 -4.54 118.16 120.86 3mnj n LYS 228 Ca 0.12 -0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 3mnj n LYS 228 Cb 0.12 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.76 3mnj n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mnj s LEU 229 N -2.94 2.31 0.07 -0.35 1.43 -1.10 -4.87 118.68 113.22 3mnj s LEU 229 Ca 0.12 1.39 0.09 0.00 -1.03 0.00 0.00 54.13 54.71 3mnj s LEU 229 Cb 0.17 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3mnj s LEU 229 CO 0.71 -2.47 -0.26 0.20 0.23 0.00 0.00 176.35 174.77 3mnj s ASN 230 N -3.59 3.10 0.15 2.29 0.02 0.36 -0.13 114.94 117.14 3mnj s ASN 230 Ca 0.63 -0.63 -0.08 0.00 -1.02 0.00 0.00 52.86 51.76 3mnj s ASN 230 Cb -0.17 -0.26 -0.02 0.00 0.02 0.00 0.00 41.25 40.83 3mnj s ASN 230 CO 0.56 0.22 1.43 -0.26 0.02 0.00 0.00 177.10 179.07 3mnj h PHE 231 N 4.55 0.93 -4.37 2.20 0.04 -1.62 -3.35 116.94 115.33 3mnj h PHE 231 Ca -0.47 -0.35 -0.50 0.00 2.80 0.00 0.00 57.97 59.45 3mnj h PHE 231 Cb 1.15 -0.17 0.08 0.00 2.20 0.00 0.00 35.95 39.21 3mnj h PHE 231 CO 0.52 1.14 0.40 0.54 -0.60 0.00 0.00 178.31 180.31 3mnj s ASN 232 N -6.96 5.67 0.67 2.17 4.22 -1.26 -4.37 114.94 115.07 3mnj s ASN 232 Ca -0.09 1.40 -0.11 0.00 -2.14 0.00 0.00 52.86 51.91 3mnj s ASN 232 Cb 0.10 -2.32 -0.01 0.00 1.28 0.00 0.00 41.25 40.31 3mnj s ASN 232 CO 0.87 -1.23 1.07 -0.83 -2.04 0.00 0.00 177.10 174.94 3mnj s GLY 233 N -4.09 1.64 0.22 0.45 0.00 -1.26 -1.07 107.32 103.21 3mnj s GLY 233 Ca 0.57 -0.20 -0.32 0.00 0.00 0.00 0.00 44.72 44.77 3mnj s GLY 233 CO 0.54 0.12 1.52 -2.21 0.00 0.00 0.00 173.10 173.07 3mnj n GLU 234 N -2.91 2.24 -0.16 2.90 2.13 -1.26 -1.76 120.64 121.82 3mnj n GLU 234 Ca 0.07 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3mnj n GLU 234 Cb 0.56 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.73 3mnj n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mnj n GLY 235 N 2.73 1.59 3.97 8.31 0.00 -1.26 -5.04 105.19 115.48 3mnj n GLY 235 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3mnj n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mnj s GLU 236 N -0.38 2.91 0.42 1.61 2.02 -0.72 -5.04 118.70 119.52 3mnj s GLU 236 Ca 0.00 -0.73 -0.26 0.00 0.02 0.00 0.00 54.97 54.01 3mnj s GLU 236 Cb 0.00 -2.60 -0.10 0.00 0.10 0.00 0.00 34.13 31.53 3mnj s GLU 236 CO 0.00 -0.33 1.32 -2.30 0.02 0.00 0.00 175.26 173.96 3mnj n PRO 237 N -2.05 2.04 -2.55 0.39 -0.02 -1.26 -4.89 135.00 126.65 3mnj n PRO 237 Ca 0.03 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 3mnj n PRO 237 Cb 0.58 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3mnj n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mnj s GLU 238 N -2.24 4.37 -0.16 -0.52 2.12 -1.26 -4.78 118.70 116.23 3mnj s GLU 238 Ca 0.60 1.56 -0.01 0.00 0.36 0.00 0.00 54.97 57.48 3mnj s GLU 238 Cb -0.50 -3.56 0.04 0.00 0.26 0.00 0.00 34.13 30.37 3mnj s GLU 238 CO 0.58 -0.41 -0.05 -2.00 -0.54 0.00 0.00 175.26 172.84 3mnj s GLU 239 N 2.22 1.35 0.36 4.30 2.12 -1.26 -5.07 118.70 122.73 3mnj s GLU 239 Ca 0.53 -0.44 -0.27 0.00 0.36 0.00 0.00 54.97 55.15 3mnj s GLU 239 Cb -0.22 -1.90 -0.09 0.00 0.26 0.00 0.00 34.13 32.18 3mnj s GLU 239 CO 0.20 -0.42 1.17 -0.51 -0.54 0.00 0.00 175.26 175.15 3mnj s LEU 240 N 1.68 4.31 -0.86 2.70 1.43 -1.26 -1.82 118.68 124.85 3mnj s LEU 240 Ca 0.01 2.36 -0.24 0.00 -1.03 0.00 0.00 54.13 55.24 3mnj s LEU 240 Cb -0.15 -3.89 0.06 0.00 0.03 0.00 0.00 46.19 42.24 3mnj s LEU 240 CO -0.08 -0.52 1.28 -0.32 0.23 0.00 0.00 176.35 176.94 3mnj s MET 241 N -2.04 3.39 0.05 1.70 -2.45 0.82 -4.61 119.30 116.15 3mnj s MET 241 Ca 0.53 -0.87 -0.06 0.00 -1.25 0.00 0.00 55.69 54.04 3mnj s MET 241 Cb -0.32 -4.74 -0.01 0.00 1.25 0.00 0.00 34.83 31.02 3mnj s MET 241 CO 0.41 -2.07 0.12 0.14 1.05 0.00 0.00 175.02 174.67 3mnj s VAL 242 N 4.79 0.14 -1.31 10.11 -7.23 -1.26 -4.51 120.40 121.13 3mnj s VAL 242 Ca 0.37 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 3mnj s VAL 242 Cb -0.06 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.83 3mnj s VAL 242 CO 0.01 -0.63 0.91 0.47 -0.31 0.00 0.00 175.10 175.55 3mnj n ASP 243 N 0.50 -2.70 -2.46 4.85 8.00 -0.17 -4.86 116.55 119.71 3mnj n ASP 243 Ca -0.18 -0.70 -0.30 0.00 0.71 0.00 0.00 54.79 54.32 3mnj n ASP 243 Cb 0.60 -4.55 0.02 0.00 -0.02 0.00 0.00 41.12 37.16 3mnj n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3mnj n ASN 244 N -3.05 7.02 -4.44 -2.24 6.94 -1.09 -4.91 115.26 113.50 3mnj n ASN 244 Ca -0.21 -3.47 -0.30 0.00 -0.02 0.00 0.00 54.58 50.58 3mnj n ASN 244 Cb 0.64 -1.10 -0.12 0.00 -2.36 0.00 0.00 39.78 36.83 3mnj n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3mnj s TRP 245 N -2.82 2.48 -0.10 -2.53 1.48 -1.26 -4.63 118.94 111.56 3mnj s TRP 245 Ca 0.53 -0.30 -0.10 0.00 -1.06 0.00 0.00 56.10 55.17 3mnj s TRP 245 Cb 0.40 -1.38 -0.05 0.00 -1.16 0.00 0.00 33.47 31.28 3mnj s TRP 245 CO -0.19 0.30 0.23 0.50 -4.06 0.00 0.00 176.95 173.73 3mnj s ARG 246 N -1.76 3.75 0.73 3.25 3.52 -1.26 -4.96 118.95 122.22 3mnj s ARG 246 Ca 0.15 0.04 -0.13 0.00 -0.13 0.00 0.00 55.73 55.66 3mnj s ARG 246 Cb -0.10 -3.25 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3mnj s ARG 246 CO 0.07 0.64 1.12 -2.14 -0.81 0.00 0.00 175.30 174.18 3mnj s PRO 247 N -0.71 2.34 0.38 5.12 0.02 -1.26 -4.67 135.00 136.23 3mnj s PRO 247 Ca 0.17 1.41 -0.27 0.00 0.02 0.00 0.00 61.00 62.33 3mnj s PRO 247 Cb -0.13 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 3mnj s PRO 247 CO 0.06 -1.61 1.32 0.00 -0.33 0.00 0.00 177.00 176.44 3mnj n ALA 248 N -2.98 1.49 -2.65 -1.55 0.00 -1.26 -4.39 120.51 109.17 3mnj n ALA 248 Ca 0.11 0.32 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 3mnj n ALA 248 Cb 0.52 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 3mnj n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3mnj s GLN 249 N -2.05 2.46 0.41 0.00 -1.52 0.30 -4.95 119.66 114.30 3mnj s GLN 249 Ca 0.57 -1.37 -0.26 0.00 -1.95 0.00 0.00 55.36 52.36 3mnj s GLN 249 Cb -0.53 -2.26 -0.09 0.00 -0.22 0.00 0.00 33.01 29.92 3mnj s GLN 249 CO 0.61 0.31 1.32 -2.14 -0.25 0.00 0.00 175.29 175.13 3mnj s PRO 250 N -3.76 3.93 0.24 2.91 0.02 -1.26 -4.59 135.00 132.49 3mnj s PRO 250 Ca 0.33 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.56 3mnj s PRO 250 Cb -0.06 -2.75 0.26 0.00 0.02 0.00 0.00 34.50 31.97 3mnj s PRO 250 CO 0.22 -0.54 1.59 1.25 -0.33 0.00 0.00 177.00 179.20 3mnj h LEU 251 N 2.63 0.46 0.00 -5.54 5.85 -1.95 -3.44 115.31 113.33 3mnj h LEU 251 Ca -0.50 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.00 3mnj h LEU 251 Cb 1.25 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3mnj h LEU 251 CO 0.62 0.86 0.00 0.29 -0.34 0.00 0.00 178.44 179.88 3mnj n LYS 252 N -3.99 0.00 -1.55 1.25 5.02 -1.26 -3.33 118.16 114.30 3mnj n LYS 252 Ca -0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.97 3mnj n LYS 252 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.50 3mnj n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mnj n ASN 253 N 2.53 6.95 -4.03 4.39 4.13 -1.26 -4.90 115.26 123.06 3mnj n ASN 253 Ca 0.00 -3.02 -0.15 0.00 1.68 0.00 0.00 54.58 53.09 3mnj n ASN 253 Cb 0.00 -1.33 -0.13 0.00 -1.54 0.00 0.00 39.78 36.78 3mnj n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3mnj s ARG 254 N -0.79 0.53 -0.11 3.52 0.52 -1.21 -5.14 118.95 116.28 3mnj s ARG 254 Ca 0.60 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 55.24 3mnj s ARG 254 Cb 0.30 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 35.34 3mnj s ARG 254 CO -0.14 0.09 -0.07 -1.14 0.02 0.00 0.00 175.30 174.06 3mnj s GLN 255 N -1.03 3.23 -0.11 3.54 0.74 -1.26 -5.02 119.66 119.74 3mnj s GLN 255 Ca -0.05 -0.58 -0.20 0.00 0.05 0.00 0.00 55.36 54.58 3mnj s GLN 255 Cb -0.07 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 3mnj s GLN 255 CO 0.00 0.40 0.58 0.42 -0.55 0.00 0.00 175.29 176.15 3mnj s ILE 256 N -0.10 5.11 -0.01 -2.34 1.01 -1.26 -4.72 121.20 118.89 3mnj s ILE 256 Ca 0.01 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.82 3mnj s ILE 256 Cb -0.13 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3mnj s ILE 256 CO 0.03 0.26 0.05 -0.54 0.00 0.00 0.00 174.94 174.74 3mnj s LYS 257 N 0.91 2.97 0.09 2.79 1.02 -0.43 -1.18 119.74 125.91 3mnj s LYS 257 Ca 0.30 -0.52 0.07 0.00 0.02 0.00 0.00 55.97 55.84 3mnj s LYS 257 Cb -0.16 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 3mnj s LYS 257 CO 0.13 0.64 -0.11 0.00 -0.92 0.00 0.00 175.35 175.09 3mnj s ALA 258 N -1.15 2.91 -2.45 5.17 0.00 0.15 -0.36 121.76 126.04 3mnj s ALA 258 Ca 0.21 -1.23 0.27 0.00 0.00 0.00 0.00 51.96 51.21 3mnj s ALA 258 Cb -0.12 -0.89 1.00 0.00 0.00 0.00 0.00 23.12 23.11 3mnj s ALA 258 CO 0.12 0.63 1.71 -1.13 0.00 0.00 0.00 175.76 177.09 3mnj n SER 259 N 0.87 1.52 -4.01 0.00 3.41 0.27 -1.56 113.62 114.11 3mnj n SER 259 Ca -0.14 -1.54 -0.09 0.00 -0.26 0.00 0.00 58.87 56.84 3mnj n SER 259 Cb 0.52 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 3mnj n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3mnj s PHE 260 N -1.95 0.49 -0.15 7.33 -0.71 -1.26 -4.89 117.98 116.83 3mnj s PHE 260 Ca 0.37 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 55.36 3mnj s PHE 260 Cb 0.20 -0.24 0.01 0.00 -1.21 0.00 0.00 43.02 41.78 3mnj s PHE 260 CO 0.32 -0.56 0.54 0.36 -1.34 0.00 0.00 175.22 174.54