#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnj s TRP 5 N 0.00 2.96 0.00 1.57 1.48 -1.26 -4.90 118.94 118.79 1cnj s TRP 5 Ca 0.00 1.39 0.00 0.00 -1.06 0.00 0.00 56.10 56.43 1cnj s TRP 5 Cb 0.00 -2.95 0.00 0.00 -1.16 0.00 0.00 33.47 29.36 1cnj s TRP 5 CO 0.00 -1.45 0.00 0.41 -4.06 0.00 0.00 176.95 171.85 1cnj n GLY 6 N -1.86 2.35 0.12 3.67 0.00 -0.10 -5.02 105.19 104.35 1cnj n GLY 6 Ca 0.08 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.74 1cnj n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cnj n TYR 7 N 0.00 0.00 -2.32 1.61 4.01 -1.26 -3.73 117.16 115.47 1cnj n TYR 7 Ca 0.00 -0.72 -0.25 0.00 -0.16 0.00 0.00 57.90 56.76 1cnj n TYR 7 Cb 0.00 -0.11 0.10 0.00 -0.31 0.00 0.00 39.34 39.02 1cnj n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cnj s GLY 8 N -2.16 1.74 0.43 2.72 0.00 -1.26 -4.66 107.32 104.13 1cnj s GLY 8 Ca 0.20 -1.27 0.29 0.00 0.00 0.00 0.00 44.72 43.95 1cnj s GLY 8 CO 0.02 -0.76 1.87 0.07 0.00 0.00 0.00 173.10 174.29 1cnj h LYS 9 N -0.69 0.00 -0.01 2.90 2.10 -1.97 0.88 116.57 119.78 1cnj h LYS 9 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1cnj h LYS 9 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1cnj h LYS 9 CO 0.49 0.00 -0.54 0.72 -2.00 0.00 0.00 179.45 178.12 1cnj n HIS 10 N -2.73 0.00 -1.53 0.07 8.25 -1.26 -4.57 115.22 113.46 1cnj n HIS 10 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1cnj n HIS 10 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1cnj n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cnj n ASN 11 N -0.39 0.00 -3.23 0.41 6.94 -1.10 -4.98 115.26 112.93 1cnj n ASN 11 Ca 0.07 -1.12 -0.20 0.00 -0.02 0.00 0.00 54.58 53.31 1cnj n ASN 11 Cb 0.39 -0.02 0.16 0.00 -2.36 0.00 0.00 39.78 37.94 1cnj n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cnj n GLY 12 N 0.00 -2.17 0.49 4.83 0.00 0.30 -0.92 105.19 107.73 1cnj n GLY 12 Ca 0.00 -1.56 0.41 0.00 0.00 0.00 0.00 46.02 44.87 1cnj n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cnj h PRO 13 N 0.00 0.00 0.00 1.61 0.11 -1.84 0.21 132.00 132.09 1cnj h PRO 13 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1cnj h PRO 13 Cb 0.82 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1cnj h PRO 13 CO 0.19 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.91 1cnj h GLU 14 N 0.00 0.00 0.00 1.05 4.39 -1.93 -3.07 114.58 115.03 1cnj h GLU 14 Ca 0.89 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.59 1cnj h GLU 14 Cb 2.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.58 1cnj h GLU 14 CO -0.44 0.00 -1.59 0.72 -1.16 0.00 0.00 179.01 176.54 1cnj n HIS 15 N -2.95 0.40 -0.35 4.33 8.25 0.73 -4.54 115.22 121.09 1cnj n HIS 15 Ca 0.01 0.12 0.23 0.00 -0.26 0.00 0.00 57.72 57.82 1cnj n HIS 15 Cb 0.33 -0.69 0.49 0.00 1.12 0.00 0.00 29.99 31.24 1cnj n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1cnj h TRP 16 N 0.00 0.77 -0.15 4.41 6.55 -1.47 -1.73 115.95 124.33 1cnj h TRP 16 Ca 0.00 0.03 0.04 0.00 0.95 0.00 0.00 58.89 59.91 1cnj h TRP 16 Cb 1.00 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 29.08 1cnj h TRP 16 CO 0.00 -0.01 0.16 1.12 -1.05 0.00 0.00 178.44 178.66 1cnj h HIS 17 N 0.39 0.00 -0.23 0.49 2.07 -1.79 -0.03 115.15 116.04 1cnj h HIS 17 Ca 0.66 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 58.08 1cnj h HIS 17 Cb 1.60 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.57 1cnj h HIS 17 CO -0.00 0.00 -0.27 0.87 -3.07 0.00 0.00 177.93 175.45 1cnj h LYS 18 N 0.00 0.45 0.00 5.12 1.57 -1.65 -2.73 116.57 119.33 1cnj h LYS 18 Ca 0.07 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 1cnj h LYS 18 Cb 0.38 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1cnj h LYS 18 CO -0.00 0.69 -2.09 -0.25 -0.57 0.00 0.00 179.45 177.23 1cnj n ASP 19 N -4.11 0.06 -3.58 0.86 8.00 -0.81 -4.73 116.55 112.24 1cnj n ASP 19 Ca -0.01 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.21 1cnj n ASP 19 Cb 0.41 1.73 -0.12 0.00 -0.02 0.00 0.00 41.12 43.13 1cnj n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cnj s PHE 20 N -3.24 1.72 0.57 1.24 0.08 -0.09 -4.98 117.98 113.28 1cnj s PHE 20 Ca -0.08 -2.42 0.32 0.00 0.12 0.00 0.00 56.93 54.86 1cnj s PHE 20 Cb 0.12 -1.51 1.43 0.00 -0.57 0.00 0.00 43.02 42.50 1cnj s PHE 20 CO 0.88 -0.76 1.79 -1.35 -0.10 0.00 0.00 175.22 175.67 1cnj h PRO 21 N 6.11 0.00 0.00 0.24 0.11 -1.73 0.42 132.00 137.15 1cnj h PRO 21 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1cnj h PRO 21 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1cnj h PRO 21 CO 0.45 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.75 1cnj n ILE 22 N -3.87 1.04 0.01 4.15 0.13 -1.26 -1.93 119.36 117.63 1cnj n ILE 22 Ca 0.17 0.71 0.18 0.00 -1.10 0.00 0.00 62.75 62.71 1cnj n ILE 22 Cb 1.01 -1.70 0.66 0.00 -0.84 0.00 0.00 39.64 38.77 1cnj n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1cnj h ALA 23 N 2.02 2.39 -0.80 1.51 0.00 -1.23 0.29 119.26 123.43 1cnj h ALA 23 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1cnj h ALA 23 Cb 0.02 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.63 1cnj h ALA 23 CO 0.00 -0.52 0.39 1.63 0.00 0.00 0.00 179.25 180.75 1cnj n LYS 24 N -4.41 2.90 -0.56 0.00 5.02 -0.82 -4.95 118.16 115.35 1cnj n LYS 24 Ca 0.09 -3.06 -0.15 0.00 -2.02 0.00 0.00 58.31 53.17 1cnj n LYS 24 Cb 0.53 -2.15 0.12 0.00 -0.02 0.00 0.00 35.03 33.51 1cnj n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cnj n GLY 25 N -0.68 -2.47 0.16 0.72 0.00 0.10 -5.00 105.19 98.02 1cnj n GLY 25 Ca 0.48 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 45.12 1cnj n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1cnj h GLU 26 N 0.00 0.00 -2.00 1.61 4.39 -1.95 -3.39 114.58 113.24 1cnj h GLU 26 Ca -0.20 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.99 1cnj h GLU 26 Cb 0.61 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.86 1cnj h GLU 26 CO 0.13 0.01 -1.05 2.89 -1.16 0.00 0.00 179.01 179.83 1cnj n ARG 27 N -2.85 1.61 -3.22 2.33 1.85 -1.26 -4.72 116.66 110.40 1cnj n ARG 27 Ca 0.01 -3.77 -0.32 0.00 -1.00 0.00 0.00 57.85 52.78 1cnj n ARG 27 Cb 0.55 -1.83 -0.05 0.00 -1.05 0.00 0.00 32.46 30.08 1cnj n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1cnj s GLN 28 N -2.76 3.86 0.24 2.89 -1.52 -1.26 -2.66 119.66 118.45 1cnj s GLN 28 Ca 0.42 0.44 0.09 0.00 -1.95 0.00 0.00 55.36 54.36 1cnj s GLN 28 Cb 0.34 -2.52 -0.05 0.00 -0.22 0.00 0.00 33.01 30.56 1cnj s GLN 28 CO -0.09 0.20 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.86 1cnj s SER 29 N -2.50 3.02 0.94 5.90 0.01 -1.26 -4.67 113.70 115.14 1cnj s SER 29 Ca 0.50 -1.03 -0.13 0.00 1.31 0.00 0.00 55.95 56.60 1cnj s SER 29 Cb -0.11 -0.21 0.20 0.00 0.21 0.00 0.00 66.02 66.12 1cnj s SER 29 CO 0.22 -0.09 1.20 -0.81 0.41 0.00 0.00 173.24 174.17 1cnj n PRO 30 N -0.49 -1.00 -4.13 12.44 -0.04 -1.26 -4.63 135.00 135.89 1cnj n PRO 30 Ca -0.07 -2.09 -0.09 0.00 -0.04 0.00 0.00 63.50 61.21 1cnj n PRO 30 Cb 0.60 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 1cnj n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cnj s VAL 31 N -3.60 0.12 -0.00 0.52 -7.23 -1.26 -0.04 120.40 108.89 1cnj s VAL 31 Ca 0.70 -1.86 -0.22 0.00 -1.81 0.00 0.00 61.98 58.78 1cnj s VAL 31 Cb -0.02 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1cnj s VAL 31 CO 0.49 -0.53 0.67 -0.62 -0.31 0.00 0.00 175.10 174.80 1cnj s ASP 32 N -3.03 7.04 -0.50 4.85 2.15 -1.26 -3.31 116.67 122.61 1cnj s ASP 32 Ca 0.21 1.25 -0.18 0.00 0.43 0.00 0.00 52.55 54.26 1cnj s ASP 32 Cb 0.07 -2.40 0.07 0.00 -0.30 0.00 0.00 42.92 40.35 1cnj s ASP 32 CO -0.00 0.03 0.58 -0.63 -0.17 0.00 0.00 175.17 174.97 1cnj s ILE 33 N 0.08 4.96 -0.57 4.11 1.01 0.42 -4.95 121.20 126.25 1cnj s ILE 33 Ca 0.35 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 1cnj s ILE 33 Cb -0.19 -4.27 0.04 0.00 0.01 0.00 0.00 42.46 38.05 1cnj s ILE 33 CO 0.19 -0.78 1.05 -0.62 0.00 0.00 0.00 174.94 174.78 1cnj s ASP 34 N 2.74 6.37 0.62 3.58 -1.08 -1.26 -0.88 116.67 126.76 1cnj s ASP 34 Ca 0.12 -0.21 0.38 0.00 -0.52 0.00 0.00 52.55 52.32 1cnj s ASP 34 Cb -0.21 -2.48 2.04 0.00 -1.46 0.00 0.00 42.92 40.81 1cnj s ASP 34 CO 0.10 -1.35 2.26 0.71 0.52 0.00 0.00 175.17 177.41 1cnj h THR 35 N 6.07 0.20 0.00 1.71 1.35 -1.95 -1.44 112.91 118.84 1cnj h THR 35 Ca -0.26 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1cnj h THR 35 Cb 1.07 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1cnj h THR 35 CO 1.13 0.02 -0.66 1.41 -0.25 0.00 0.00 175.52 177.17 1cnj n HIS 36 N -3.33 0.34 -0.02 4.73 8.25 -1.26 -3.92 115.22 120.00 1cnj n HIS 36 Ca -0.02 0.10 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 1cnj n HIS 36 Cb 0.12 -0.50 -0.15 0.00 1.12 0.00 0.00 29.99 30.58 1cnj n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1cnj n THR 37 N -1.90 0.14 -1.72 1.59 -1.04 -0.78 -4.96 114.28 105.61 1cnj n THR 37 Ca 0.04 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.05 61.13 1cnj n THR 37 Cb 0.41 -0.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.88 1cnj n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cnj n ALA 38 N -2.24 2.55 -2.59 2.41 0.00 -0.61 -4.87 120.51 115.15 1cnj n ALA 38 Ca -0.06 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 1cnj n ALA 38 Cb 0.58 -2.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 1cnj n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cnj s LYS 39 N 0.58 3.83 0.02 0.00 2.47 -0.41 -4.81 119.74 121.42 1cnj s LYS 39 Ca 0.72 0.27 -0.30 0.00 -1.56 0.00 0.00 55.97 55.10 1cnj s LYS 39 Cb -0.52 -3.76 -0.07 0.00 -1.46 0.00 0.00 37.83 32.02 1cnj s LYS 39 CO 0.38 -0.66 1.54 -0.47 0.16 0.00 0.00 175.35 176.30 1cnj s TYR 40 N 2.74 2.56 -0.32 4.03 5.04 -1.26 -0.78 117.35 129.36 1cnj s TYR 40 Ca 0.27 0.52 0.01 0.00 -2.44 0.00 0.00 57.07 55.43 1cnj s TYR 40 Cb -0.14 -3.83 0.08 0.00 0.35 0.00 0.00 41.96 38.42 1cnj s TYR 40 CO 0.13 -3.24 0.03 0.34 -1.34 0.00 0.00 175.55 171.47 1cnj s ASP 41 N 2.29 4.81 0.00 4.32 -1.08 -0.27 -4.88 116.67 121.86 1cnj s ASP 41 Ca 0.69 -1.72 0.11 0.00 -0.52 0.00 0.00 52.55 51.11 1cnj s ASP 41 Cb -0.35 -1.67 0.53 0.00 -1.46 0.00 0.00 42.92 39.97 1cnj s ASP 41 CO 0.29 -0.33 1.31 -0.81 0.52 0.00 0.00 175.17 176.15 1cnj n PRO 42 N 4.45 0.08 0.01 4.34 -0.04 -1.26 -2.07 135.00 140.52 1cnj n PRO 42 Ca -0.06 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1cnj n PRO 42 Cb 0.42 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.67 1cnj n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cnj n SER 43 N -1.39 0.47 -4.69 3.54 3.41 -1.26 -4.86 113.62 108.84 1cnj n SER 43 Ca 0.04 -0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.16 1cnj n SER 43 Cb 0.11 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1cnj n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cnj s LEU 44 N -3.25 4.32 0.57 1.04 1.02 -0.88 -5.01 118.68 116.49 1cnj s LEU 44 Ca 0.11 2.19 -0.09 0.00 0.02 0.00 0.00 54.13 56.36 1cnj s LEU 44 Cb 0.17 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.78 1cnj s LEU 44 CO 0.68 -0.77 0.94 -0.54 0.02 0.00 0.00 176.35 176.68 1cnj s LYS 45 N 2.61 3.59 0.62 1.70 3.01 -1.23 -4.99 119.74 125.04 1cnj s LYS 45 Ca 0.66 0.56 -0.16 0.00 -1.01 0.00 0.00 55.97 56.02 1cnj s LYS 45 Cb -0.33 -2.19 -0.02 0.00 -1.01 0.00 0.00 37.83 34.28 1cnj s LYS 45 CO 0.28 -0.43 1.10 -1.25 0.51 0.00 0.00 175.35 175.56 1cnj s PRO 46 N -4.99 3.05 0.61 -1.68 0.04 -1.26 -2.91 135.00 127.86 1cnj s PRO 46 Ca 0.52 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 1cnj s PRO 46 Cb -0.11 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1cnj s PRO 46 CO 0.50 -1.05 1.10 -0.51 0.04 0.00 0.00 177.00 177.08 1cnj s LEU 47 N -4.53 3.52 -0.21 -3.56 1.43 -1.26 -1.51 118.68 112.55 1cnj s LEU 47 Ca 0.67 2.01 -0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1cnj s LEU 47 Cb -0.20 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.52 1cnj s LEU 47 CO 0.37 -1.40 -0.04 -0.55 0.23 0.00 0.00 176.35 174.96 1cnj s SER 48 N -2.39 3.45 -0.28 2.29 0.15 0.65 -4.84 113.70 112.73 1cnj s SER 48 Ca 0.68 -1.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 1cnj s SER 48 Cb -0.20 -1.01 0.04 0.00 -1.71 0.00 0.00 66.02 63.13 1cnj s SER 48 CO 0.36 -0.24 -0.01 0.54 1.20 0.00 0.00 173.24 175.09 1cnj s VAL 49 N 1.54 3.04 -0.66 4.45 0.11 -1.26 -1.21 120.40 126.40 1cnj s VAL 49 Ca -0.03 -1.18 -0.02 0.00 -2.93 0.00 0.00 61.98 57.81 1cnj s VAL 49 Cb -0.18 -2.66 0.17 0.00 -1.53 0.00 0.00 36.38 32.18 1cnj s VAL 49 CO -0.07 0.02 0.47 -0.44 -3.33 0.00 0.00 175.10 171.76 1cnj s SER 50 N 1.30 5.22 -0.01 3.54 0.01 -0.39 -4.89 113.70 118.48 1cnj s SER 50 Ca -0.02 -3.05 0.16 0.00 1.31 0.00 0.00 55.95 54.34 1cnj s SER 50 Cb -0.18 -1.83 0.46 0.00 0.21 0.00 0.00 66.02 64.67 1cnj s SER 50 CO -0.02 -0.31 1.38 -1.22 0.41 0.00 0.00 173.24 173.48 1cnj n TYR 51 N 3.20 0.72 0.19 2.43 4.01 -1.26 -1.79 117.16 124.66 1cnj n TYR 51 Ca 0.10 -0.52 0.06 0.00 -0.16 0.00 0.00 57.90 57.39 1cnj n TYR 51 Cb 0.37 -0.04 0.56 0.00 -0.31 0.00 0.00 39.34 39.92 1cnj n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1cnj h ASP 52 N 2.93 0.11 -0.54 7.72 2.03 -1.90 -2.65 116.42 124.12 1cnj h ASP 52 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1cnj h ASP 52 Cb 0.89 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 1cnj h ASP 52 CO 0.02 0.12 0.00 0.00 -1.03 0.00 0.00 179.24 178.35 1cnj n GLN 53 N -4.48 4.24 -1.82 4.15 1.13 -1.23 -5.01 117.38 114.36 1cnj n GLN 53 Ca -0.02 -3.02 -0.39 0.00 -1.94 0.00 0.00 57.00 51.64 1cnj n GLN 53 Cb 0.12 -2.08 0.03 0.00 0.11 0.00 0.00 30.24 28.43 1cnj n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cnj s ALA 54 N -2.47 2.92 -0.28 -1.58 0.00 -1.00 -4.57 121.76 114.77 1cnj s ALA 54 Ca 0.51 1.34 -0.02 0.00 0.00 0.00 0.00 51.96 53.78 1cnj s ALA 54 Cb 0.37 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 20.03 1cnj s ALA 54 CO 0.17 -1.29 0.10 0.99 0.00 0.00 0.00 175.76 175.73 1cnj s THR 55 N -1.30 0.48 0.41 0.00 2.01 -1.26 -4.92 115.64 111.06 1cnj s THR 55 Ca 0.69 -1.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 1cnj s THR 55 Cb -0.40 -1.30 -0.10 0.00 0.01 0.00 0.00 72.50 70.70 1cnj s THR 55 CO 0.49 -0.60 0.97 -0.94 -0.69 0.00 0.00 174.62 173.85 1cnj s SER 56 N 1.83 6.94 -0.08 3.53 1.04 -1.26 -0.90 113.70 124.79 1cnj s SER 56 Ca 0.07 1.80 -0.05 0.00 0.48 0.00 0.00 55.95 58.26 1cnj s SER 56 Cb -0.17 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 1cnj s SER 56 CO -0.26 -0.36 -0.12 0.18 0.98 0.00 0.00 173.24 173.67 1cnj n LEU 57 N -0.32 0.69 -3.84 2.42 4.77 0.45 -4.15 117.00 117.02 1cnj n LEU 57 Ca 0.06 0.12 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1cnj n LEU 57 Cb 0.52 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1cnj n LEU 57 CO 0.40 0.14 0.49 0.00 -1.33 0.00 0.00 177.39 177.09 1cnj s ARG 58 N -2.17 2.01 -0.02 3.23 1.04 -1.24 -1.26 118.95 120.55 1cnj s ARG 58 Ca -0.12 -1.23 0.02 0.00 -1.04 0.00 0.00 55.73 53.36 1cnj s ARG 58 Cb 0.05 0.61 0.00 0.00 -2.04 0.00 0.00 34.95 33.57 1cnj s ARG 58 CO 0.16 -0.93 -0.08 -1.50 -0.04 0.00 0.00 175.30 172.91 1cnj s ILE 59 N -3.11 0.66 0.02 4.99 2.07 -0.50 -0.62 121.20 124.73 1cnj s ILE 59 Ca 0.14 -0.31 -0.06 0.00 -1.41 0.00 0.00 60.65 59.00 1cnj s ILE 59 Cb -0.05 -0.59 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 1cnj s ILE 59 CO 0.09 0.21 0.11 -1.48 -1.91 0.00 0.00 174.94 171.96 1cnj s LEU 60 N 0.10 1.71 -0.36 8.50 2.34 -0.44 -1.07 118.68 129.46 1cnj s LEU 60 Ca -0.01 -0.41 -0.14 0.00 0.06 0.00 0.00 54.13 53.63 1cnj s LEU 60 Cb -0.07 0.62 -0.01 0.00 -0.56 0.00 0.00 46.19 46.18 1cnj s LEU 60 CO 0.00 -0.45 0.27 0.21 -1.06 0.00 0.00 176.35 175.32 1cnj s ASN 61 N -1.83 6.09 -0.01 1.48 3.84 -0.43 -0.95 114.94 123.13 1cnj s ASN 61 Ca -0.09 -0.52 0.20 0.00 0.21 0.00 0.00 52.86 52.66 1cnj s ASN 61 Cb -0.04 -2.15 0.59 0.00 -0.55 0.00 0.00 41.25 39.09 1cnj s ASN 61 CO -0.02 -0.31 1.49 -0.46 -2.79 0.00 0.00 177.10 175.01 1cnj n ASN 62 N 5.17 3.57 0.00 -4.21 0.23 -0.70 -0.63 115.26 118.69 1cnj n ASN 62 Ca -0.12 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 51.91 1cnj n ASN 62 Cb 0.49 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1cnj n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cnj n GLY 63 N 1.53 2.48 0.00 4.83 0.00 -1.26 -4.77 105.19 108.00 1cnj n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1cnj n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cnj n HIS 64 N -2.00 0.00 -3.95 1.61 1.44 -1.26 -4.72 115.22 106.33 1cnj n HIS 64 Ca 0.00 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.73 1cnj n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1cnj n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1cnj n ALA 65 N -0.59 -2.54 -3.00 1.59 0.00 -1.26 -4.89 120.51 109.82 1cnj n ALA 65 Ca 0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 53.44 52.54 1cnj n ALA 65 Cb 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 19.45 19.40 1cnj n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1cnj s PHE 66 N -2.37 2.53 -0.09 0.00 -0.12 -1.26 -1.71 117.98 114.96 1cnj s PHE 66 Ca 0.21 -0.88 -0.00 0.00 -0.05 0.00 0.00 56.93 56.21 1cnj s PHE 66 Cb -0.01 -1.67 -0.03 0.00 -0.63 0.00 0.00 43.02 40.68 1cnj s PHE 66 CO -0.00 -0.31 -0.06 -0.80 -0.05 0.00 0.00 175.22 173.99 1cnj s ASN 67 N 0.12 4.71 -0.26 1.98 0.02 -0.13 -4.33 114.94 117.05 1cnj s ASN 67 Ca -0.12 -0.03 -0.08 0.00 -1.02 0.00 0.00 52.86 51.62 1cnj s ASN 67 Cb -0.16 -1.31 -0.02 0.00 0.02 0.00 0.00 41.25 39.78 1cnj s ASN 67 CO 0.07 0.33 0.09 -0.69 0.02 0.00 0.00 177.10 176.91 1cnj s VAL 68 N -0.60 4.35 0.08 1.60 1.01 -0.68 -1.33 120.40 124.83 1cnj s VAL 68 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1cnj s VAL 68 Cb -0.12 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1cnj s VAL 68 CO 0.02 0.28 0.24 -1.61 0.00 0.00 0.00 175.10 174.03 1cnj s GLU 69 N 1.61 3.45 0.22 2.72 2.02 0.21 -1.89 118.70 127.04 1cnj s GLU 69 Ca 0.06 -0.44 0.09 0.00 0.02 0.00 0.00 54.97 54.70 1cnj s GLU 69 Cb -0.16 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 1cnj s GLU 69 CO 0.04 0.58 -0.16 -0.06 0.02 0.00 0.00 175.26 175.68 1cnj s PHE 70 N -1.57 1.87 -0.45 1.61 0.40 -0.47 -0.41 117.98 118.96 1cnj s PHE 70 Ca 0.35 -0.50 -0.29 0.00 -0.60 0.00 0.00 56.93 55.89 1cnj s PHE 70 Cb -0.13 -0.86 0.03 0.00 0.51 0.00 0.00 43.02 42.57 1cnj s PHE 70 CO 0.28 0.44 1.17 0.34 0.70 0.00 0.00 175.22 178.15 1cnj s ASP 71 N -3.29 6.63 -0.35 1.36 2.15 -0.08 -4.84 116.67 118.25 1cnj s ASP 71 Ca 0.23 0.59 0.07 0.00 0.43 0.00 0.00 52.55 53.88 1cnj s ASP 71 Cb -0.02 -2.55 0.53 0.00 -0.30 0.00 0.00 42.92 40.57 1cnj s ASP 71 CO 0.09 -1.23 1.56 -0.90 -0.17 0.00 0.00 175.17 174.51 1cnj n ASP 72 N 7.86 3.26 -0.25 -0.34 5.75 -1.26 -4.59 116.55 126.97 1cnj n ASP 72 Ca 0.13 -3.77 0.14 0.00 -0.01 0.00 0.00 54.79 51.28 1cnj n ASP 72 Cb 0.49 -0.67 0.59 0.00 -1.03 0.00 0.00 41.12 40.49 1cnj n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1cnj n SER 73 N -1.08 0.88 -3.81 -1.12 3.41 -1.26 -4.89 113.62 105.74 1cnj n SER 73 Ca 0.41 -1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 57.89 1cnj n SER 73 Cb 1.11 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 65.02 1cnj n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cnj s GLN 74 N -2.24 1.31 -1.11 4.33 -0.21 -1.26 -5.06 119.66 115.42 1cnj s GLN 74 Ca 0.34 -0.96 -0.18 0.00 0.02 0.00 0.00 55.36 54.57 1cnj s GLN 74 Cb 0.21 0.47 -0.06 0.00 1.00 0.00 0.00 33.01 34.63 1cnj s GLN 74 CO 0.42 -0.53 2.06 -0.25 -2.12 0.00 0.00 175.29 174.87 1cnj n ASP 75 N -0.30 3.21 -0.09 5.90 9.92 -1.26 -4.57 116.55 129.37 1cnj n ASP 75 Ca -0.09 -2.76 -0.16 0.00 -0.53 0.00 0.00 54.79 51.24 1cnj n ASP 75 Cb 0.63 -1.40 -0.10 0.00 -0.64 0.00 0.00 41.12 39.61 1cnj n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1cnj h LYS 76 N 7.05 0.00 -4.46 -1.24 1.57 -1.86 -3.45 116.57 114.18 1cnj h LYS 76 Ca 0.49 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.65 1cnj h LYS 76 Cb 0.67 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.60 1cnj h LYS 76 CO 1.90 0.82 -0.79 0.00 -0.57 0.00 0.00 179.45 180.81 1cnj s ALA 77 N -2.38 2.06 0.14 3.86 0.00 -1.26 -3.53 121.76 120.65 1cnj s ALA 77 Ca -0.23 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.39 1cnj s ALA 77 Cb 0.03 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1cnj s ALA 77 CO 0.54 -1.15 -0.13 0.14 0.00 0.00 0.00 175.76 175.15 1cnj s VAL 78 N 1.35 1.37 -0.07 0.00 -7.23 -0.74 -1.17 120.40 113.90 1cnj s VAL 78 Ca -0.06 -1.86 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 1cnj s VAL 78 Cb -0.19 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 1cnj s VAL 78 CO -0.06 -0.50 -0.22 -0.22 -0.31 0.00 0.00 175.10 173.78 1cnj s LEU 79 N -2.72 2.01 0.33 1.32 0.20 0.40 -1.27 118.68 118.95 1cnj s LEU 79 Ca 0.13 -0.48 -0.10 0.00 0.69 0.00 0.00 54.13 54.37 1cnj s LEU 79 Cb -0.03 -1.26 0.02 0.00 -0.43 0.00 0.00 46.19 44.49 1cnj s LEU 79 CO 0.03 0.18 0.58 -1.59 -0.29 0.00 0.00 176.35 175.26 1cnj s LYS 80 N 0.12 1.92 1.91 1.98 -2.85 -0.35 -1.27 119.74 121.20 1cnj s LYS 80 Ca -0.10 -1.51 0.00 0.00 -1.00 0.00 0.00 55.97 53.36 1cnj s LYS 80 Cb -0.15 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1cnj s LYS 80 CO 0.05 -0.84 0.00 0.41 0.10 0.00 0.00 175.35 175.08 1cnj n GLY 81 N -0.51 -1.31 7.00 0.59 0.00 -1.26 -0.25 105.19 109.45 1cnj n GLY 81 Ca -0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1cnj n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cnj n GLY 82 N 0.00 3.29 0.73 -0.02 0.00 -0.57 -1.16 105.19 107.47 1cnj n GLY 82 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1cnj n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cnj n PRO 83 N 14.00 1.94 -3.43 1.61 -0.04 -1.26 -3.58 135.00 144.24 1cnj n PRO 83 Ca 0.00 -1.44 -0.34 0.00 -0.04 0.00 0.00 63.50 61.69 1cnj n PRO 83 Cb 0.00 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.04 1cnj n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cnj s LEU 84 N -1.24 4.26 -0.24 1.53 1.43 -0.31 -5.07 118.68 119.06 1cnj s LEU 84 Ca 0.31 0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1cnj s LEU 84 Cb 0.16 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 43.00 1cnj s LEU 84 CO 0.23 0.04 -0.08 -1.81 0.23 0.00 0.00 176.35 174.95 1cnj s ASP 85 N -2.03 4.15 0.00 2.29 1.01 -1.26 -4.35 116.67 116.48 1cnj s ASP 85 Ca 0.41 -0.80 0.00 0.00 0.71 0.00 0.00 52.55 52.87 1cnj s ASP 85 Cb -0.13 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.16 1cnj s ASP 85 CO 0.20 -0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.09 1cnj n GLY 86 N 4.67 0.64 3.77 0.21 0.00 -1.26 -4.98 105.19 108.24 1cnj n GLY 86 Ca -0.17 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.41 1cnj n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cnj s THR 87 N -1.28 5.17 -0.08 2.61 2.01 -1.26 -4.58 115.64 118.24 1cnj s THR 87 Ca 0.00 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1cnj s THR 87 Cb 0.00 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1cnj s THR 87 CO 0.00 0.55 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.95 1cnj s TYR 88 N -0.45 2.56 -0.10 4.92 1.51 -0.40 -1.70 117.35 123.69 1cnj s TYR 88 Ca 0.11 -0.75 -0.12 0.00 -1.01 0.00 0.00 57.07 55.30 1cnj s TYR 88 Cb -0.12 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1cnj s TYR 88 CO 0.02 -0.24 0.29 1.03 -1.11 0.00 0.00 175.55 175.54 1cnj s ARG 89 N 0.02 3.95 -0.00 -0.62 0.52 -0.32 -0.45 118.95 122.05 1cnj s ARG 89 Ca -0.08 0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 1cnj s ARG 89 Cb -0.15 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 1cnj s ARG 89 CO 0.05 0.51 1.40 -1.17 0.02 0.00 0.00 175.30 176.11 1cnj s LEU 90 N -0.36 4.32 -0.12 2.53 2.96 -0.32 -1.75 118.68 125.94 1cnj s LEU 90 Ca 0.18 2.11 0.04 0.00 -0.22 0.00 0.00 54.13 56.24 1cnj s LEU 90 Cb -0.14 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 1cnj s LEU 90 CO 0.07 -0.72 -0.06 0.00 -1.32 0.00 0.00 176.35 174.32 1cnj n ILE 91 N 4.66 0.72 -3.68 6.68 3.06 -0.16 -4.54 119.36 126.10 1cnj n ILE 91 Ca 0.13 -0.34 -0.06 0.00 -2.50 0.00 0.00 62.75 59.98 1cnj n ILE 91 Cb 0.44 -0.87 -0.02 0.00 0.54 0.00 0.00 39.64 39.73 1cnj n ILE 91 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1cnj s ASN 92 N -4.86 -0.28 0.01 9.51 2.20 -1.21 -1.37 114.94 118.94 1cnj s ASN 92 Ca -0.13 -0.30 -0.01 0.00 -0.94 0.00 0.00 52.86 51.48 1cnj s ASN 92 Cb 0.04 0.52 -0.01 0.00 -2.00 0.00 0.00 41.25 39.79 1cnj s ASN 92 CO 0.34 -0.92 0.01 0.72 -2.94 0.00 0.00 177.10 174.31 1cnj s PHE 93 N -3.40 0.15 0.32 1.54 -0.12 -0.79 -0.82 117.98 114.85 1cnj s PHE 93 Ca 0.09 -0.30 -0.07 0.00 -0.05 0.00 0.00 56.93 56.60 1cnj s PHE 93 Cb -0.02 -0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.26 1cnj s PHE 93 CO -0.01 -0.15 0.51 -3.38 -0.05 0.00 0.00 175.22 172.14 1cnj s HIS 94 N -1.00 0.74 0.24 3.49 -3.43 -0.69 -1.69 115.29 112.96 1cnj s HIS 94 Ca -0.11 -1.07 0.03 0.00 -0.80 0.00 0.00 55.06 53.11 1cnj s HIS 94 Cb -0.07 0.10 -0.05 0.00 -1.43 0.00 0.00 32.58 31.13 1cnj s HIS 94 CO -0.00 -1.14 0.01 -0.06 -2.00 0.00 0.00 174.74 171.55 1cnj s PHE 95 N -3.26 1.56 -0.03 0.38 0.40 -1.26 -0.56 117.98 115.21 1cnj s PHE 95 Ca 0.26 -0.96 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 1cnj s PHE 95 Cb -0.01 -0.92 0.01 0.00 0.51 0.00 0.00 43.02 42.61 1cnj s PHE 95 CO 0.16 -0.09 -0.07 -1.01 0.70 0.00 0.00 175.22 174.91 1cnj s HIS 96 N -3.47 0.87 0.17 0.36 3.76 -0.54 -4.78 115.29 111.67 1cnj s HIS 96 Ca 0.30 -0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 54.92 1cnj s HIS 96 Cb 0.06 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 33.06 1cnj s HIS 96 CO 0.09 -0.14 0.21 1.67 -0.85 0.00 0.00 174.74 175.73 1cnj s TRP 97 N 0.45 0.69 0.51 1.40 -2.14 -1.23 -1.44 118.94 117.19 1cnj s TRP 97 Ca -0.07 -1.02 0.06 0.00 2.66 0.00 0.00 56.10 57.73 1cnj s TRP 97 Cb -0.11 -0.25 0.02 0.00 -3.10 0.00 0.00 33.47 30.03 1cnj s TRP 97 CO 0.01 -0.68 0.39 0.20 -2.66 0.00 0.00 176.95 174.21 1cnj s GLY 98 N -3.04 2.32 0.14 3.67 0.00 -1.19 -0.86 107.32 108.37 1cnj s GLY 98 Ca 0.24 -1.45 0.26 0.00 0.00 0.00 0.00 44.72 43.77 1cnj s GLY 98 CO 0.04 -1.90 1.69 -1.14 0.00 0.00 0.00 173.10 171.80 1cnj n SER 99 N -1.70 0.62 -3.98 1.64 3.41 -1.26 -4.40 113.62 107.95 1cnj n SER 99 Ca -0.00 0.42 -0.08 0.00 -0.26 0.00 0.00 58.87 58.94 1cnj n SER 99 Cb 0.64 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 1cnj n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cnj s LEU 100 N -4.09 2.06 0.67 1.04 1.43 -1.26 -5.05 118.68 113.47 1cnj s LEU 100 Ca 0.10 -0.70 0.40 0.00 -1.03 0.00 0.00 54.13 52.90 1cnj s LEU 100 Cb 0.14 0.44 2.20 0.00 0.03 0.00 0.00 46.19 49.01 1cnj s LEU 100 CO 0.62 -0.54 2.25 0.44 0.23 0.00 0.00 176.35 179.35 1cnj h ASP 101 N 3.51 0.00 -0.10 2.29 5.19 -1.92 -2.77 116.42 122.62 1cnj h ASP 101 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1cnj h ASP 101 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1cnj h ASP 101 CO 0.55 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.28 1cnj n GLY 102 N -1.13 -0.29 3.47 2.75 0.00 -1.26 -3.55 105.19 105.18 1cnj n GLY 102 Ca -0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1cnj n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cnj s GLN 103 N -1.87 1.31 0.00 1.61 -2.07 -1.05 -4.72 119.66 112.88 1cnj s GLN 103 Ca 0.28 -0.93 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 1cnj s GLN 103 Cb 0.14 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 1cnj s GLN 103 CO 0.22 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 1cnj n GLY 104 N -0.30 3.59 3.80 2.60 0.00 -1.04 -3.15 105.19 110.69 1cnj n GLY 104 Ca -0.10 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 1cnj n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cnj s SER 105 N 0.00 5.31 -0.22 1.61 1.04 -0.60 -3.48 113.70 117.36 1cnj s SER 105 Ca 0.00 1.72 -0.16 0.00 0.48 0.00 0.00 55.95 57.99 1cnj s SER 105 Cb 0.00 -2.51 -0.12 0.00 0.10 0.00 0.00 66.02 63.49 1cnj s SER 105 CO 0.00 -1.49 -0.17 -0.62 0.98 0.00 0.00 173.24 171.95 1cnj n GLU 106 N -2.90 0.55 -2.57 4.02 1.02 -1.26 -4.84 120.64 114.67 1cnj n GLU 106 Ca 0.08 0.38 -0.33 0.00 -0.02 0.00 0.00 57.16 57.27 1cnj n GLU 106 Cb 0.53 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1cnj n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1cnj s HIS 107 N -2.50 3.21 0.15 -0.32 3.76 -1.26 -4.44 115.29 113.88 1cnj s HIS 107 Ca -0.31 1.56 0.06 0.00 -0.15 0.00 0.00 55.06 56.23 1cnj s HIS 107 Cb 0.08 -2.92 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 1cnj s HIS 107 CO 0.47 -0.48 -0.13 0.95 -0.85 0.00 0.00 174.74 174.70 1cnj s THR 108 N -2.24 1.40 -0.23 1.30 -4.23 -1.21 -4.71 115.64 105.72 1cnj s THR 108 Ca 0.63 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 1cnj s THR 108 Cb -0.12 -1.73 0.04 0.00 1.34 0.00 0.00 72.50 72.04 1cnj s THR 108 CO 0.21 -0.53 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.94 1cnj s VAL 109 N -2.59 2.18 -1.51 2.29 1.01 -0.79 -0.44 120.40 120.55 1cnj s VAL 109 Ca 0.14 -1.37 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 1cnj s VAL 109 Cb -0.02 -2.15 0.08 0.00 0.00 0.00 0.00 36.38 34.28 1cnj s VAL 109 CO 0.03 0.17 0.95 0.47 0.00 0.00 0.00 175.10 176.73 1cnj n ASP 110 N 4.51 -4.37 0.00 3.32 8.00 -0.05 -0.42 116.55 127.53 1cnj n ASP 110 Ca -0.16 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1cnj n ASP 110 Cb 0.45 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 1cnj n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cnj n LYS 111 N -4.64 0.00 -2.51 -1.24 4.76 -1.26 -4.99 118.16 108.27 1cnj n LYS 111 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1cnj n LYS 111 Cb 0.54 -2.95 -0.03 0.00 -1.84 0.00 0.00 35.03 30.76 1cnj n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1cnj s LYS 112 N -0.25 4.35 -0.09 1.97 2.20 0.44 -4.99 119.74 123.36 1cnj s LYS 112 Ca 0.00 1.59 -0.10 0.00 -0.36 0.00 0.00 55.97 57.11 1cnj s LYS 112 Cb 0.00 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 1cnj s LYS 112 CO 0.00 -0.46 0.23 0.15 -0.36 0.00 0.00 175.35 174.91 1cnj s LYS 113 N 2.38 3.66 0.42 4.03 1.02 -1.26 -1.88 119.74 128.11 1cnj s LYS 113 Ca 0.53 0.05 0.08 0.00 0.02 0.00 0.00 55.97 56.65 1cnj s LYS 113 Cb -0.22 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1cnj s LYS 113 CO 0.19 0.70 0.51 0.71 -0.92 0.00 0.00 175.35 176.55 1cnj s TYR 114 N -0.90 2.73 0.37 3.18 1.51 -1.26 -4.69 117.35 118.29 1cnj s TYR 114 Ca 0.17 -0.44 0.09 0.00 -1.01 0.00 0.00 57.07 55.88 1cnj s TYR 114 Cb -0.13 -2.30 0.74 0.00 -0.11 0.00 0.00 41.96 40.15 1cnj s TYR 114 CO 0.07 -0.35 1.88 0.00 -1.11 0.00 0.00 175.55 176.05 1cnj h ALA 115 N 0.75 1.45 -2.75 3.71 0.00 -1.48 -1.51 119.26 119.43 1cnj h ALA 115 Ca -0.40 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.37 1cnj h ALA 115 Cb 1.28 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1cnj h ALA 115 CO 0.49 0.39 0.35 0.00 0.00 0.00 0.00 179.25 180.47 1cnj s ALA 116 N -4.63 -1.33 -0.08 0.00 0.00 -1.15 -3.26 121.76 111.32 1cnj s ALA 116 Ca -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1cnj s ALA 116 Cb 0.15 0.75 0.04 0.00 0.00 0.00 0.00 23.12 24.06 1cnj s ALA 116 CO 0.74 -1.04 0.17 -2.00 0.00 0.00 0.00 175.76 173.63 1cnj s GLU 117 N -3.36 0.11 -0.14 0.00 2.12 -0.52 -1.30 118.70 115.60 1cnj s GLU 117 Ca 0.13 0.43 -0.13 0.00 0.36 0.00 0.00 54.97 55.75 1cnj s GLU 117 Cb -0.04 -0.18 -0.05 0.00 0.26 0.00 0.00 34.13 34.13 1cnj s GLU 117 CO 0.06 -0.18 0.29 -1.17 -0.54 0.00 0.00 175.26 173.72 1cnj s LEU 118 N 1.34 4.28 -0.22 2.70 2.96 0.10 -1.47 118.68 128.37 1cnj s LEU 118 Ca -0.08 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1cnj s LEU 118 Cb -0.11 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.24 1cnj s LEU 118 CO -0.06 0.14 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.96 1cnj s HIS 119 N 0.21 2.99 -0.38 5.38 3.76 0.28 -0.81 115.29 126.72 1cnj s HIS 119 Ca 0.17 -1.85 -0.15 0.00 -0.15 0.00 0.00 55.06 53.09 1cnj s HIS 119 Cb -0.13 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.61 1cnj s HIS 119 CO 0.05 -0.82 0.32 -0.51 -0.85 0.00 0.00 174.74 172.93 1cnj s LEU 120 N 1.24 4.77 -0.18 0.89 2.01 -0.27 -1.70 118.68 125.43 1cnj s LEU 120 Ca -0.00 -0.59 -0.14 0.00 0.01 0.00 0.00 54.13 53.40 1cnj s LEU 120 Cb -0.16 -2.23 -0.04 0.00 0.01 0.00 0.00 46.19 43.76 1cnj s LEU 120 CO -0.09 -0.39 0.32 -0.69 1.01 0.00 0.00 176.35 176.51 1cnj s VAL 121 N 1.84 5.27 0.07 -1.59 1.01 0.00 -1.18 120.40 125.83 1cnj s VAL 121 Ca 0.08 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.70 1cnj s VAL 121 Cb -0.18 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1cnj s VAL 121 CO 0.11 0.33 -0.16 -1.00 0.00 0.00 0.00 175.10 174.38 1cnj s HIS 122 N 0.82 1.41 0.06 5.22 3.76 -0.32 -0.98 115.29 125.26 1cnj s HIS 122 Ca 0.17 -0.43 0.10 0.00 -0.15 0.00 0.00 55.06 54.75 1cnj s HIS 122 Cb -0.14 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.73 1cnj s HIS 122 CO 0.06 0.10 -0.26 1.67 -0.85 0.00 0.00 174.74 175.45 1cnj s TRP 123 N -1.16 2.32 -0.17 1.40 1.48 -0.71 -1.28 118.94 120.81 1cnj s TRP 123 Ca 0.01 -0.41 -0.29 0.00 -1.06 0.00 0.00 56.10 54.35 1cnj s TRP 123 Cb -0.10 -1.37 -0.04 0.00 -1.16 0.00 0.00 33.47 30.80 1cnj s TRP 123 CO 0.03 0.16 1.73 1.21 -4.06 0.00 0.00 176.95 176.01 1cnj s ASN 124 N -1.36 6.32 0.58 -2.66 3.84 0.12 -1.17 114.94 120.61 1cnj s ASN 124 Ca 0.12 1.86 0.28 0.00 0.21 0.00 0.00 52.86 55.33 1cnj s ASN 124 Cb -0.10 -2.53 1.70 0.00 -0.55 0.00 0.00 41.25 39.77 1cnj s ASN 124 CO 0.03 -1.27 2.18 0.71 -2.79 0.00 0.00 177.10 175.95 1cnj h THR 125 N 6.12 0.55 0.00 -5.21 1.35 -1.67 -1.85 112.91 112.21 1cnj h THR 125 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1cnj h THR 125 Cb 1.18 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1cnj h THR 125 CO 0.98 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.32 1cnj h LYS 127 N 0.00 0.00 -0.28 4.72 2.10 -1.91 -1.65 116.57 119.55 1cnj h LYS 127 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1cnj h LYS 127 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1cnj h LYS 127 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1cnj n TYR 128 N -2.58 0.36 0.00 0.07 4.01 -0.69 -4.99 117.16 113.33 1cnj n TYR 128 Ca -0.01 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1cnj n TYR 128 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1cnj n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cnj n GLY 129 N 1.31 1.52 3.52 2.72 0.00 -0.62 -4.48 105.19 109.16 1cnj n GLY 129 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1cnj n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cnj s ASP 130 N 0.00 -0.00 0.18 1.61 1.47 -1.26 -5.05 116.67 113.62 1cnj s ASP 130 Ca 0.00 -1.04 -0.13 0.00 1.18 0.00 0.00 52.55 52.56 1cnj s ASP 130 Cb 0.00 0.55 0.10 0.00 -0.34 0.00 0.00 42.92 43.23 1cnj s ASP 130 CO 0.00 -1.10 1.85 0.15 0.68 0.00 0.00 175.17 176.75 1cnj h PHE 131 N 2.31 0.72 -0.22 2.11 3.57 -1.94 -2.35 116.94 121.14 1cnj h PHE 131 Ca -0.28 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.26 1cnj h PHE 131 Cb 1.25 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1cnj h PHE 131 CO 0.45 0.45 0.15 0.78 -2.23 0.00 0.00 178.31 177.90 1cnj h GLY 132 N 0.78 0.23 1.15 2.40 0.00 -1.97 -2.34 103.07 103.32 1cnj h GLY 132 Ca 0.22 -0.08 -0.31 0.00 0.00 0.00 0.00 47.33 47.16 1cnj h GLY 132 CO -0.06 0.07 -1.35 0.50 0.00 0.00 0.00 176.54 175.71 1cnj h LYS 133 N 0.21 0.50 -0.80 4.80 6.56 -1.76 -3.32 116.57 122.77 1cnj h LYS 133 Ca 0.09 -0.85 0.09 0.00 -1.06 0.00 0.00 60.65 58.92 1cnj h LYS 133 Cb 0.10 0.32 -0.05 0.00 -0.57 0.00 0.00 32.23 32.02 1cnj h LYS 133 CO -0.02 1.41 0.52 0.00 -2.06 0.00 0.00 179.45 179.30 1cnj h ALA 134 N 0.14 1.72 0.00 3.86 0.00 -0.92 -1.03 119.26 123.04 1cnj h ALA 134 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1cnj h ALA 134 Cb 2.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1cnj h ALA 134 CO 0.25 0.12 0.00 1.33 0.00 0.00 0.00 179.25 180.95 1cnj n VAL 135 N -4.50 0.00 0.40 0.00 0.24 -0.95 -1.32 118.33 112.19 1cnj n VAL 135 Ca 0.13 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.49 1cnj n VAL 135 Cb 0.30 -0.16 0.06 0.00 -1.47 0.00 0.00 33.84 32.57 1cnj n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cnj n GLN 136 N -0.51 0.83 -4.82 7.34 6.02 -0.39 -4.93 117.38 120.93 1cnj n GLN 136 Ca 0.00 -1.27 -0.31 0.00 -0.01 0.00 0.00 57.00 55.41 1cnj n GLN 136 Cb 0.00 -1.22 -0.14 0.00 1.02 0.00 0.00 30.24 29.90 1cnj n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1cnj s GLN 137 N -0.95 1.99 0.33 -1.09 -1.52 -0.44 -5.02 119.66 112.96 1cnj s GLN 137 Ca 0.14 -1.02 0.25 0.00 -1.95 0.00 0.00 55.36 52.78 1cnj s GLN 137 Cb 0.10 -2.10 1.16 0.00 -0.22 0.00 0.00 33.01 31.95 1cnj s GLN 137 CO 0.14 0.53 1.75 -1.00 -0.25 0.00 0.00 175.29 176.47 1cnj h PRO 138 N 4.75 0.00 0.00 2.91 0.13 -1.85 -2.09 132.00 135.85 1cnj h PRO 138 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1cnj h PRO 138 Cb 1.15 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 1cnj h PRO 138 CO 0.46 0.00 -0.58 -0.40 -0.23 0.00 0.00 178.00 177.24 1cnj n ASP 139 N -2.36 1.51 0.07 1.44 5.75 -1.26 -4.41 116.55 117.29 1cnj n ASP 139 Ca 0.00 -3.22 -0.07 0.00 -0.01 0.00 0.00 54.79 51.49 1cnj n ASP 139 Cb 0.16 -0.44 0.08 0.00 -1.03 0.00 0.00 41.12 39.89 1cnj n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cnj h GLY 140 N 0.84 0.34 -3.13 6.12 0.00 -1.24 -3.43 103.07 102.57 1cnj h GLY 140 Ca -0.06 -0.44 -0.57 0.00 0.00 0.00 0.00 47.33 46.25 1cnj h GLY 140 CO 0.03 0.40 -0.79 1.08 0.00 0.00 0.00 176.54 177.25 1cnj s LEU 141 N -7.95 2.46 -0.07 3.11 1.43 -0.45 0.10 118.68 117.31 1cnj s LEU 141 Ca -0.05 -0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 52.16 1cnj s LEU 141 Cb 0.11 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.39 1cnj s LEU 141 CO 0.81 0.02 0.00 0.00 0.23 0.00 0.00 176.35 177.42 1cnj s ALA 142 N -1.99 0.69 -0.15 4.21 0.00 -0.41 -1.05 121.76 123.06 1cnj s ALA 142 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1cnj s ALA 142 Cb -0.06 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 1cnj s ALA 142 CO 0.09 -0.44 -0.15 0.08 0.00 0.00 0.00 175.76 175.33 1cnj s VAL 143 N 1.93 2.68 -0.30 0.00 1.01 -1.00 -1.17 120.40 123.55 1cnj s VAL 143 Ca 0.04 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 1cnj s VAL 143 Cb -0.12 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1cnj s VAL 143 CO -0.05 0.51 0.56 -0.22 0.00 0.00 0.00 175.10 175.90 1cnj s LEU 144 N 0.81 4.16 -0.16 3.92 0.20 -0.33 -1.43 118.68 125.85 1cnj s LEU 144 Ca -0.05 0.34 -0.06 0.00 0.69 0.00 0.00 54.13 55.04 1cnj s LEU 144 Cb -0.15 -2.70 -0.04 0.00 -0.43 0.00 0.00 46.19 42.87 1cnj s LEU 144 CO 0.00 -0.41 0.05 -0.83 -0.29 0.00 0.00 176.35 174.87 1cnj s GLY 145 N 1.64 1.90 -0.07 7.98 0.00 0.55 -1.12 107.32 118.21 1cnj s GLY 145 Ca 0.22 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.21 1cnj s GLY 145 CO 0.11 -0.07 -0.11 -0.42 0.00 0.00 0.00 173.10 172.62 1cnj s ILE 146 N 0.10 1.04 0.31 0.90 1.01 0.01 -1.59 121.20 122.99 1cnj s ILE 146 Ca 0.05 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.09 1cnj s ILE 146 Cb -0.12 -0.97 -0.09 0.00 0.01 0.00 0.00 42.46 41.28 1cnj s ILE 146 CO 0.01 0.34 0.82 -0.36 0.00 0.00 0.00 174.94 175.74 1cnj s PHE 147 N 0.79 3.51 -0.11 3.97 0.08 -1.26 0.02 117.98 124.98 1cnj s PHE 147 Ca -0.12 1.46 0.04 0.00 0.12 0.00 0.00 56.93 58.42 1cnj s PHE 147 Cb -0.15 -2.70 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 1cnj s PHE 147 CO 0.02 0.15 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.55 1cnj s LEU 148 N -2.53 2.06 0.13 -0.37 1.02 -0.42 -0.98 118.68 117.59 1cnj s LEU 148 Ca 0.52 -0.55 0.10 0.00 0.02 0.00 0.00 54.13 54.22 1cnj s LEU 148 Cb -0.14 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 1cnj s LEU 148 CO 0.19 0.13 -0.24 -1.59 0.02 0.00 0.00 176.35 174.86 1cnj s LYS 149 N 0.47 1.51 -0.11 1.70 -2.85 -0.19 -2.15 119.74 118.12 1cnj s LYS 149 Ca -0.16 -1.30 -0.29 0.00 -1.00 0.00 0.00 55.97 53.21 1cnj s LYS 149 Cb -0.17 -1.96 -0.01 0.00 -2.06 0.00 0.00 37.83 33.63 1cnj s LYS 149 CO 0.06 0.46 1.01 0.08 0.10 0.00 0.00 175.35 177.06 1cnj s VAL 150 N -1.09 4.78 0.00 1.79 1.01 -1.26 -0.88 120.40 124.75 1cnj s VAL 150 Ca 0.15 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.17 1cnj s VAL 150 Cb -0.10 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1cnj s VAL 150 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1cnj n GLY 151 N 3.10 1.33 3.84 4.51 0.00 0.11 -4.87 105.19 113.21 1cnj n GLY 151 Ca 0.09 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 1cnj n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cnj s SER 152 N 2.00 5.96 0.45 1.61 1.04 -1.26 -3.92 113.70 119.58 1cnj s SER 152 Ca 0.00 1.55 -0.23 0.00 0.48 0.00 0.00 55.95 57.75 1cnj s SER 152 Cb 0.00 -2.49 -0.08 0.00 0.10 0.00 0.00 66.02 63.55 1cnj s SER 152 CO 0.00 -1.05 1.10 0.00 0.98 0.00 0.00 173.24 174.27 1cnj s ALA 153 N -2.98 2.99 -0.45 5.32 0.00 -1.26 -2.51 121.76 122.85 1cnj s ALA 153 Ca 0.57 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 1cnj s ALA 153 Cb -0.12 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.74 1cnj s ALA 153 CO 0.49 -0.45 0.36 0.21 0.00 0.00 0.00 175.76 176.38 1cnj s LYS 154 N -2.73 2.96 0.22 0.00 2.47 -1.23 -4.82 119.74 116.61 1cnj s LYS 154 Ca 0.62 -1.28 -0.08 0.00 -1.56 0.00 0.00 55.97 53.67 1cnj s LYS 154 Cb -0.24 -4.08 0.33 0.00 -1.46 0.00 0.00 37.83 32.39 1cnj s LYS 154 CO 0.29 -0.96 1.72 -1.35 0.16 0.00 0.00 175.35 175.21 1cnj h PRO 155 N 8.71 0.31 0.00 4.03 0.11 -1.92 -1.61 132.00 141.63 1cnj h PRO 155 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1cnj h PRO 155 Cb 1.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1cnj h PRO 155 CO 0.84 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 179.24 1cnj n GLY 156 N -1.32 -0.50 0.01 -0.55 0.00 -1.26 -1.62 105.19 99.95 1cnj n GLY 156 Ca 0.10 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1cnj n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cnj n LEU 157 N -1.33 0.39 -0.32 0.99 7.94 -0.61 -4.55 117.00 119.51 1cnj n LEU 157 Ca 0.02 -0.20 0.05 0.00 -1.11 0.00 0.00 56.01 54.77 1cnj n LEU 157 Cb 0.04 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.23 1cnj n LEU 157 CO 0.04 0.10 1.25 -0.61 -1.11 0.00 0.00 177.39 177.06 1cnj h GLN 158 N 0.00 1.00 -0.22 1.96 5.75 -1.34 -1.08 115.11 121.18 1cnj h GLN 158 Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1cnj h GLN 158 Cb 0.80 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1cnj h GLN 158 CO 0.00 0.66 0.14 -0.22 -2.65 0.00 0.00 178.83 176.77 1cnj h LYS 159 N 1.03 0.29 0.01 1.69 3.64 -1.80 0.40 116.57 121.83 1cnj h LYS 159 Ca 0.41 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.70 1cnj h LYS 159 Cb 0.26 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1cnj h LYS 159 CO -0.17 0.19 -0.31 0.28 -2.27 0.00 0.00 179.45 177.17 1cnj h VAL 160 N 0.29 1.55 -0.80 2.00 2.07 -1.52 -3.24 116.25 116.61 1cnj h VAL 160 Ca 0.08 -2.04 0.07 0.00 0.82 0.00 0.00 66.70 65.63 1cnj h VAL 160 Cb -0.03 2.84 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 1cnj h VAL 160 CO -0.02 0.56 0.48 0.58 0.02 0.00 0.00 177.57 179.19 1cnj h VAL 161 N -0.49 0.99 -0.21 2.57 2.07 -0.68 -2.69 116.25 117.82 1cnj h VAL 161 Ca -0.04 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1cnj h VAL 161 Cb 1.09 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1cnj h VAL 161 CO 0.06 0.16 -0.13 0.44 0.02 0.00 0.00 177.57 178.11 1cnj h ASP 162 N 0.85 0.32 0.74 0.57 3.32 -1.03 -2.90 116.42 118.29 1cnj h ASP 162 Ca 0.36 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1cnj h ASP 162 Cb 0.22 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1cnj h ASP 162 CO -0.19 0.49 -0.14 0.55 -1.72 0.00 0.00 179.24 178.22 1cnj n VAL 163 N -4.24 0.00 -0.23 -1.35 3.14 -1.02 -4.19 118.33 110.45 1cnj n VAL 163 Ca -0.00 -0.01 0.07 0.00 -2.96 0.00 0.00 64.34 61.43 1cnj n VAL 163 Cb 0.29 -0.25 0.33 0.00 -1.06 0.00 0.00 33.84 33.15 1cnj n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1cnj h LEU 164 N 0.09 0.73 -2.43 6.55 3.38 -1.42 -1.62 115.31 120.59 1cnj h LEU 164 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1cnj h LEU 164 Cb 0.46 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1cnj h LEU 164 CO 0.00 0.46 -0.03 -2.24 0.09 0.00 0.00 178.44 176.72 1cnj h ASP 165 N 0.82 0.00 1.55 -0.43 3.04 -1.80 -1.55 116.42 118.05 1cnj h ASP 165 Ca 0.35 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.14 1cnj h ASP 165 Cb 0.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 1cnj h ASP 165 CO -0.13 0.03 0.00 0.28 -2.04 0.00 0.00 179.24 177.38 1cnj h SER 166 N 0.00 0.00 -0.92 4.15 0.02 -1.59 -3.28 113.55 111.93 1cnj h SER 166 Ca -0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 1cnj h SER 166 Cb 0.13 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.25 1cnj h SER 166 CO 0.00 0.00 -0.90 2.30 -1.14 0.00 0.00 176.83 177.10 1cnj n ILE 167 N -3.02 2.06 -0.27 3.27 -5.35 -0.59 -4.75 119.36 110.70 1cnj n ILE 167 Ca 0.03 -4.02 -0.01 0.00 -0.27 0.00 0.00 62.75 58.47 1cnj n ILE 167 Cb 0.43 -0.49 0.11 0.00 -1.74 0.00 0.00 39.64 37.95 1cnj n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1cnj h LYS 168 N 2.47 0.86 -6.16 6.28 3.64 -1.60 -3.42 116.57 118.64 1cnj h LYS 168 Ca 0.20 -0.05 -0.52 0.00 -1.27 0.00 0.00 60.65 59.01 1cnj h LYS 168 Cb 1.28 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1cnj h LYS 168 CO 0.64 0.57 -0.49 0.95 -2.27 0.00 0.00 179.45 178.85 1cnj s THR 169 N -6.09 3.39 0.15 1.00 -4.23 -1.26 -0.43 115.64 108.17 1cnj s THR 169 Ca -0.13 -1.51 -0.33 0.00 -1.18 0.00 0.00 61.69 58.55 1cnj s THR 169 Cb 0.17 -3.11 -0.13 0.00 1.34 0.00 0.00 72.50 70.77 1cnj s THR 169 CO 0.78 -0.19 1.69 1.17 -0.54 0.00 0.00 174.62 177.53 1cnj n LYS 170 N -1.27 2.45 0.00 3.99 4.81 -0.43 -2.55 118.16 125.17 1cnj n LYS 170 Ca -0.03 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1cnj n LYS 170 Cb 0.60 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.94 1cnj n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cnj n GLY 171 N 3.81 3.22 3.78 3.14 0.00 0.20 -4.56 105.19 114.78 1cnj n GLY 171 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1cnj n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cnj s LYS 172 N -0.71 4.29 0.10 1.61 1.02 -1.06 -4.85 119.74 120.15 1cnj s LYS 172 Ca 0.00 1.51 -0.04 0.00 0.02 0.00 0.00 55.97 57.46 1cnj s LYS 172 Cb 0.00 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1cnj s LYS 172 CO 0.00 -0.03 0.10 -1.54 -0.92 0.00 0.00 175.35 172.97 1cnj s SER 173 N -1.50 0.27 -0.03 2.83 1.04 -1.26 -1.32 113.70 113.73 1cnj s SER 173 Ca 0.55 -0.96 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 1cnj s SER 173 Cb -0.23 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1cnj s SER 173 CO 0.28 -0.72 0.40 0.00 0.98 0.00 0.00 173.24 174.18 1cnj s ALA 174 N -3.95 -1.02 0.37 5.32 0.00 -0.23 -4.94 121.76 117.30 1cnj s ALA 174 Ca 0.14 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 1cnj s ALA 174 Cb 0.06 0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.10 1cnj s ALA 174 CO -0.05 -0.28 1.44 -0.51 0.00 0.00 0.00 175.76 176.35 1cnj s ASP 175 N -1.23 6.45 -0.46 0.00 1.01 -1.26 -1.41 116.67 119.77 1cnj s ASP 175 Ca -0.12 2.95 0.06 0.00 0.71 0.00 0.00 52.55 56.14 1cnj s ASP 175 Cb -0.04 -2.66 0.19 0.00 1.01 0.00 0.00 42.92 41.42 1cnj s ASP 175 CO 0.05 -0.79 0.54 0.33 0.21 0.00 0.00 175.17 175.51 1cnj n PHE 176 N 0.53 -2.17 -3.69 4.23 7.35 -0.39 -4.74 117.46 118.58 1cnj n PHE 176 Ca 0.01 -2.48 -0.20 0.00 -0.76 0.00 0.00 57.45 54.02 1cnj n PHE 176 Cb 0.40 0.77 -0.01 0.00 0.35 0.00 0.00 39.48 40.99 1cnj n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cnj s THR 177 N 0.32 4.58 -1.74 -2.13 -4.23 -1.26 -3.13 115.64 108.05 1cnj s THR 177 Ca 0.32 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1cnj s THR 177 Cb 0.05 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1cnj s THR 177 CO -0.14 -0.23 0.00 0.59 -0.54 0.00 0.00 174.62 174.30 1cnj n ASN 178 N -1.53 -5.79 -4.73 3.99 4.13 -1.26 -4.95 115.26 105.12 1cnj n ASN 178 Ca -0.04 -0.01 -0.38 0.00 1.68 0.00 0.00 54.58 55.83 1cnj n ASN 178 Cb 0.58 -4.81 -0.06 0.00 -1.54 0.00 0.00 39.78 33.95 1cnj n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1cnj s PHE 179 N -3.01 3.51 -0.44 3.10 5.36 -1.26 -5.02 117.98 120.23 1cnj s PHE 179 Ca 0.00 0.84 -0.15 0.00 -0.96 0.00 0.00 56.93 56.65 1cnj s PHE 179 Cb 0.00 -2.50 0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1cnj s PHE 179 CO 0.00 0.21 0.34 0.34 -1.46 0.00 0.00 175.22 174.65 1cnj s ASP 180 N 0.50 6.13 0.18 6.13 -1.08 -1.26 -4.48 116.67 122.78 1cnj s ASP 180 Ca 0.24 -1.08 0.17 0.00 -0.52 0.00 0.00 52.55 51.36 1cnj s ASP 180 Cb -0.15 -2.17 0.80 0.00 -1.46 0.00 0.00 42.92 39.94 1cnj s ASP 180 CO 0.09 -0.53 1.53 -0.81 0.52 0.00 0.00 175.17 175.97 1cnj n PRO 181 N 5.18 0.11 0.31 4.34 -0.04 -1.26 -2.33 135.00 141.31 1cnj n PRO 181 Ca -0.12 0.46 0.19 0.00 -0.04 0.00 0.00 63.50 64.00 1cnj n PRO 181 Cb 0.46 -1.76 0.99 0.00 -0.04 0.00 0.00 33.50 33.15 1cnj n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cnj h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.08 114.38 114.99 1cnj h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cnj h ARG 182 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1cnj h ARG 182 CO 0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1cnj n GLY 183 N -0.82 -0.91 0.70 0.04 0.00 -0.98 -2.82 105.19 100.40 1cnj n GLY 183 Ca -0.02 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1cnj n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cnj n LEU 184 N -1.14 2.81 -4.85 0.99 4.77 -0.41 -4.31 117.00 114.85 1cnj n LEU 184 Ca 0.15 -1.68 -0.37 0.00 -0.03 0.00 0.00 56.01 54.08 1cnj n LEU 184 Cb 0.13 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1cnj n LEU 184 CO 0.16 0.66 0.02 -0.76 -1.33 0.00 0.00 177.39 176.14 1cnj s LEU 185 N -1.04 4.43 1.05 2.23 1.43 -1.13 -4.97 118.68 120.69 1cnj s LEU 185 Ca 0.24 0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 53.97 1cnj s LEU 185 Cb 0.14 -2.53 0.23 0.00 0.03 0.00 0.00 46.19 44.06 1cnj s LEU 185 CO 0.19 0.32 1.20 -2.16 0.23 0.00 0.00 176.35 176.12 1cnj s PRO 186 N -1.24 -0.06 0.10 1.29 0.04 -1.26 -4.98 135.00 128.89 1cnj s PRO 186 Ca 0.23 -0.14 -0.16 0.00 0.04 0.00 0.00 61.00 60.98 1cnj s PRO 186 Cb -0.15 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1cnj s PRO 186 CO 0.12 -2.93 1.48 1.49 0.04 0.00 0.00 177.00 177.21 1cnj h GLU 187 N -2.01 0.63 -5.90 4.56 4.81 -1.92 -3.45 114.58 111.31 1cnj h GLU 187 Ca -0.46 -0.26 -0.62 0.00 -0.13 0.00 0.00 59.36 57.89 1cnj h GLU 187 Cb 1.28 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1cnj h GLU 187 CO 0.41 0.84 -0.50 0.45 -0.73 0.00 0.00 179.01 179.47 1cnj s SER 188 N -6.29 6.36 -0.15 1.04 0.15 -1.26 -5.02 113.70 108.53 1cnj s SER 188 Ca -0.13 0.28 0.16 0.00 0.70 0.00 0.00 55.95 56.96 1cnj s SER 188 Cb 0.09 -1.96 0.53 0.00 -1.71 0.00 0.00 66.02 62.97 1cnj s SER 188 CO 0.80 0.18 1.44 0.18 1.20 0.00 0.00 173.24 177.04 1cnj n LEU 189 N 0.39 3.96 -4.76 3.45 4.77 -1.26 -4.72 117.00 118.83 1cnj n LEU 189 Ca -0.06 -2.81 -0.39 0.00 -0.03 0.00 0.00 56.01 52.73 1cnj n LEU 189 Cb 0.51 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1cnj n LEU 189 CO 0.51 0.69 0.95 -1.81 -1.33 0.00 0.00 177.39 176.39 1cnj s ASP 190 N -1.61 5.97 0.26 -1.43 1.01 -1.26 -4.74 116.67 114.88 1cnj s ASP 190 Ca 0.41 2.64 -0.12 0.00 0.71 0.00 0.00 52.55 56.19 1cnj s ASP 190 Cb 0.31 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.61 1cnj s ASP 190 CO 0.12 -1.08 0.48 -0.72 0.21 0.00 0.00 175.17 174.17 1cnj s TYR 191 N -1.33 0.44 0.15 4.23 1.13 -1.26 -1.52 117.35 119.20 1cnj s TYR 191 Ca 0.62 -0.80 0.10 0.00 -1.41 0.00 0.00 57.07 55.58 1cnj s TYR 191 Cb -0.37 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.62 1cnj s TYR 191 CO 0.46 -1.02 -0.19 -1.58 -2.51 0.00 0.00 175.55 170.71 1cnj s TRP 192 N -3.86 2.46 -0.03 -3.49 0.51 -0.38 -0.92 118.94 113.24 1cnj s TRP 192 Ca 0.23 -0.30 -0.07 0.00 -2.12 0.00 0.00 56.10 53.85 1cnj s TRP 192 Cb -0.01 -1.27 0.01 0.00 -0.81 0.00 0.00 33.47 31.39 1cnj s TRP 192 CO 0.10 0.43 0.16 -0.08 -0.51 0.00 0.00 176.95 177.05 1cnj s THR 193 N -1.35 0.04 0.07 2.01 -1.32 0.31 -1.20 115.64 114.20 1cnj s THR 193 Ca 0.19 -0.34 -0.26 0.00 -1.21 0.00 0.00 61.69 60.07 1cnj s THR 193 Cb -0.10 -0.34 0.08 0.00 -1.51 0.00 0.00 72.50 70.63 1cnj s THR 193 CO 0.10 -0.18 0.69 -0.72 -2.21 0.00 0.00 174.62 172.29 1cnj s TYR 194 N -0.63 -0.53 -0.10 9.09 1.13 -1.10 -1.41 117.35 123.79 1cnj s TYR 194 Ca -0.07 0.52 -0.26 0.00 -1.41 0.00 0.00 57.07 55.85 1cnj s TYR 194 Cb -0.04 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1cnj s TYR 194 CO 0.01 -0.72 0.83 -1.25 -2.51 0.00 0.00 175.55 171.91 1cnj s PRO 195 N -2.89 4.39 0.00 -3.49 0.04 -1.26 -1.19 135.00 130.61 1cnj s PRO 195 Ca -0.01 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1cnj s PRO 195 Cb -0.01 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1cnj s PRO 195 CO -0.06 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.23 1cnj n GLY 196 N 3.23 4.76 3.34 0.56 0.00 0.10 -4.83 105.19 112.35 1cnj n GLY 196 Ca 0.03 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 1cnj n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cnj s SER 197 N 1.38 1.92 0.41 1.61 1.04 -1.09 -2.33 113.70 116.63 1cnj s SER 197 Ca 0.00 -1.74 -0.24 0.00 0.48 0.00 0.00 55.95 54.45 1cnj s SER 197 Cb 0.00 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.59 1cnj s SER 197 CO 0.00 -1.04 1.08 -0.76 0.98 0.00 0.00 173.24 173.51 1cnj s LEU 198 N -3.43 4.13 0.00 2.42 1.43 -0.85 -4.50 118.68 117.89 1cnj s LEU 198 Ca 0.37 2.12 0.20 0.00 -1.03 0.00 0.00 54.13 55.79 1cnj s LEU 198 Cb 0.02 -4.17 0.63 0.00 0.03 0.00 0.00 46.19 42.71 1cnj s LEU 198 CO 0.25 -0.58 1.48 0.35 0.23 0.00 0.00 176.35 178.08 1cnj n THR 199 N -0.11 0.31 -4.14 5.49 -2.24 -1.26 -4.40 114.28 107.94 1cnj n THR 199 Ca 0.05 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.24 1cnj n THR 199 Cb 0.49 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 69.09 1cnj n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cnj s THR 200 N -1.69 0.82 0.49 4.28 -4.23 -1.26 -4.73 115.64 109.31 1cnj s THR 200 Ca 0.33 -1.42 -0.22 0.00 -1.18 0.00 0.00 61.69 59.20 1cnj s THR 200 Cb 0.18 -1.08 -0.09 0.00 1.34 0.00 0.00 72.50 72.84 1cnj s THR 200 CO 0.26 -0.46 0.87 -2.65 -0.54 0.00 0.00 174.62 172.10 1cnj n PRO 201 N 0.94 1.01 0.00 3.99 -0.02 -1.26 -0.39 135.00 139.27 1cnj n PRO 201 Ca -0.19 0.37 0.05 0.00 -2.02 0.00 0.00 63.50 61.72 1cnj n PRO 201 Cb 0.56 -1.96 0.31 0.00 -0.02 0.00 0.00 33.50 32.40 1cnj n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cnj n PRO 202 N -0.11 0.43 -2.92 0.52 -0.04 -1.26 -4.99 135.00 126.62 1cnj n PRO 202 Ca 0.11 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 1cnj n PRO 202 Cb 0.42 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1cnj n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cnj n LEU 203 N -0.88 -1.99 -4.76 1.53 4.77 0.47 -4.91 117.00 111.23 1cnj n LEU 203 Ca 0.08 -0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 1cnj n LEU 203 Cb 0.04 -2.59 -0.01 0.00 -2.33 0.00 0.00 43.42 38.52 1cnj n LEU 203 CO 0.06 0.08 1.15 -0.76 -1.33 0.00 0.00 177.39 176.59 1cnj s LEU 204 N -6.35 4.35 -1.24 2.23 1.43 -1.26 -4.40 118.68 113.45 1cnj s LEU 204 Ca 0.23 2.90 -0.11 0.00 -1.03 0.00 0.00 54.13 56.12 1cnj s LEU 204 Cb -0.11 -3.65 0.17 0.00 0.03 0.00 0.00 46.19 42.64 1cnj s LEU 204 CO 0.29 -0.81 1.64 -0.62 0.23 0.00 0.00 176.35 177.07 1cnj n GLU 205 N 1.45 3.51 0.00 1.70 1.02 -1.26 -2.00 120.64 125.05 1cnj n GLU 205 Ca 0.04 -3.73 0.00 0.00 -0.02 0.00 0.00 57.16 53.46 1cnj n GLU 205 Cb 0.39 -2.97 0.00 0.00 -0.02 0.00 0.00 31.44 28.84 1cnj n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cnj s VAL 207 N -0.29 5.34 -0.39 0.00 1.01 -0.98 -1.33 120.40 123.75 1cnj s VAL 207 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 1cnj s VAL 207 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1cnj s VAL 207 CO 0.00 0.45 0.26 -0.89 0.00 0.00 0.00 175.10 174.92 1cnj s THR 208 N 0.10 4.92 0.10 3.92 2.01 -0.22 0.02 115.64 126.50 1cnj s THR 208 Ca 0.15 -0.78 -0.25 0.00 0.31 0.00 0.00 61.69 61.12 1cnj s THR 208 Cb -0.13 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 1cnj s THR 208 CO 0.03 -0.28 0.78 0.26 -0.69 0.00 0.00 174.62 174.72 1cnj s TRP 209 N 1.62 3.81 -0.28 4.92 0.52 -0.33 -2.37 118.94 126.83 1cnj s TRP 209 Ca 0.03 1.56 0.00 0.00 0.02 0.00 0.00 56.10 57.71 1cnj s TRP 209 Cb -0.19 -2.81 0.08 0.00 -1.15 0.00 0.00 33.47 29.40 1cnj s TRP 209 CO 0.08 0.37 0.03 0.42 0.02 0.00 0.00 176.95 177.87 1cnj s ILE 210 N -0.49 1.31 -0.27 2.03 1.01 -0.51 -2.70 121.20 121.58 1cnj s ILE 210 Ca 0.38 -1.42 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 1cnj s ILE 210 Cb -0.22 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1cnj s ILE 210 CO 0.25 -0.42 0.09 -0.69 0.00 0.00 0.00 174.94 174.17 1cnj s VAL 211 N 1.44 4.33 0.28 2.92 1.01 -0.34 -0.33 120.40 129.71 1cnj s VAL 211 Ca 0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1cnj s VAL 211 Cb -0.18 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 1cnj s VAL 211 CO -0.14 0.24 1.17 -0.76 0.00 0.00 0.00 175.10 175.61 1cnj s LEU 212 N 1.60 4.51 0.05 3.92 1.43 -0.62 -1.24 118.68 128.33 1cnj s LEU 212 Ca 0.05 2.38 -0.20 0.00 -1.03 0.00 0.00 54.13 55.33 1cnj s LEU 212 Cb -0.16 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.31 1cnj s LEU 212 CO 0.04 -0.28 1.44 0.50 0.23 0.00 0.00 176.35 178.28 1cnj h LYS 213 N 3.89 0.32 -6.02 1.70 3.64 -1.61 -3.44 116.57 115.06 1cnj h LYS 213 Ca -0.47 -0.13 -0.58 0.00 -1.27 0.00 0.00 60.65 58.20 1cnj h LYS 213 Cb 1.22 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 1cnj h LYS 213 CO 0.68 0.60 0.69 -2.00 -2.27 0.00 0.00 179.45 177.15 1cnj s GLU 214 N -4.73 4.18 0.70 1.90 2.12 -1.26 -5.01 118.70 116.60 1cnj s GLU 214 Ca -0.14 1.13 -0.10 0.00 0.36 0.00 0.00 54.97 56.23 1cnj s GLU 214 Cb 0.06 -3.67 0.03 0.00 0.26 0.00 0.00 34.13 30.81 1cnj s GLU 214 CO 0.73 -0.66 1.06 -1.25 -0.54 0.00 0.00 175.26 174.61 1cnj s PRO 215 N 3.18 2.57 0.16 4.30 0.04 -1.26 -4.68 135.00 139.30 1cnj s PRO 215 Ca 0.41 0.18 0.05 0.00 0.04 0.00 0.00 61.00 61.68 1cnj s PRO 215 Cb -0.14 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1cnj s PRO 215 CO 0.09 -1.12 0.11 0.96 0.04 0.00 0.00 177.00 177.07 1cnj s ILE 216 N -3.31 4.35 -0.13 0.56 -4.36 -0.15 -4.90 121.20 113.26 1cnj s ILE 216 Ca 0.58 -1.11 -0.07 0.00 -0.26 0.00 0.00 60.65 59.80 1cnj s ILE 216 Cb -0.11 -3.20 -0.04 0.00 1.25 0.00 0.00 42.46 40.36 1cnj s ILE 216 CO 0.49 -0.08 0.13 -0.44 0.24 0.00 0.00 174.94 175.27 1cnj s SER 217 N -2.99 6.28 0.11 4.36 0.01 -1.26 -1.02 113.70 119.18 1cnj s SER 217 Ca 0.30 0.41 0.06 0.00 1.31 0.00 0.00 55.95 58.04 1cnj s SER 217 Cb -0.10 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 1cnj s SER 217 CO 0.22 0.38 -0.15 0.68 0.41 0.00 0.00 173.24 174.78 1cnj s VAL 218 N -0.84 1.33 0.65 3.43 -7.23 -0.06 -3.52 120.40 114.16 1cnj s VAL 218 Ca 0.14 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 1cnj s VAL 218 Cb -0.12 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 1cnj s VAL 218 CO 0.03 -0.35 1.05 -0.94 -0.31 0.00 0.00 175.10 174.59 1cnj s SER 219 N -2.28 5.96 0.28 4.85 1.04 -1.13 0.07 113.70 122.48 1cnj s SER 219 Ca 0.07 1.32 -0.03 0.00 0.48 0.00 0.00 55.95 57.78 1cnj s SER 219 Cb -0.06 -2.28 0.38 0.00 0.10 0.00 0.00 66.02 64.16 1cnj s SER 219 CO 0.03 -1.03 1.94 -1.28 0.98 0.00 0.00 173.24 173.88 1cnj h SER 220 N -0.43 1.03 -0.61 7.02 0.87 -1.93 -1.94 113.55 117.57 1cnj h SER 220 Ca -0.44 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.04 1cnj h SER 220 Cb 1.21 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 1cnj h SER 220 CO 0.63 0.73 0.18 -0.33 -0.53 0.00 0.00 176.83 177.50 1cnj h GLU 221 N 1.21 0.98 -0.12 2.24 3.07 -1.95 -1.19 114.58 118.83 1cnj h GLU 221 Ca 0.35 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1cnj h GLU 221 Cb -0.07 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.69 1cnj h GLU 221 CO -0.09 0.86 -0.00 1.96 -1.40 0.00 0.00 179.01 180.33 1cnj h GLN 222 N 0.95 0.21 0.00 2.33 4.20 -1.74 -3.06 115.11 118.00 1cnj h GLN 222 Ca 0.21 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1cnj h GLN 222 Cb 0.30 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1cnj h GLN 222 CO -0.00 0.47 -0.28 -0.24 -0.67 0.00 0.00 178.83 178.10 1cnj h VAL 223 N -0.06 0.85 -0.61 -0.54 3.04 -1.28 -2.68 116.25 114.97 1cnj h VAL 223 Ca 0.03 -1.11 -0.05 0.00 -1.01 0.00 0.00 66.70 64.57 1cnj h VAL 223 Cb 0.37 1.67 -0.03 0.00 -2.01 0.00 0.00 31.29 31.29 1cnj h VAL 223 CO 0.01 0.27 0.19 -0.07 -1.01 0.00 0.00 177.57 176.96 1cnj h LEU 224 N 0.00 0.84 -1.32 3.16 3.38 -1.13 -2.50 115.31 117.73 1cnj h LEU 224 Ca -0.00 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1cnj h LEU 224 Cb 0.65 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1cnj h LEU 224 CO 0.04 0.79 0.46 0.11 0.09 0.00 0.00 178.44 179.93 1cnj h LYS 225 N 0.89 0.90 -0.81 1.13 6.56 -1.38 -2.13 116.57 121.73 1cnj h LYS 225 Ca 0.20 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.75 1cnj h LYS 225 Cb 0.25 -0.20 -0.04 0.00 -0.57 0.00 0.00 32.23 31.66 1cnj h LYS 225 CO -0.01 0.60 0.54 0.74 -2.06 0.00 0.00 179.45 179.26 1cnj h PHE 226 N 0.93 1.02 0.00 -1.35 -1.00 -1.51 -2.37 116.94 112.66 1cnj h PHE 226 Ca 0.25 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.06 1cnj h PHE 226 Cb -0.10 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.12 1cnj h PHE 226 CO -0.00 0.63 0.00 0.54 -1.61 0.00 0.00 178.31 177.87 1cnj n ARG 227 N -4.53 0.18 0.00 1.51 1.74 -0.80 -2.50 116.66 112.25 1cnj n ARG 227 Ca 0.09 0.17 0.12 0.00 -0.77 0.00 0.00 57.85 57.45 1cnj n ARG 227 Cb 0.03 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.19 1cnj n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1cnj n LYS 228 N -1.29 0.74 -1.19 5.56 5.02 -0.89 -4.47 118.16 121.64 1cnj n LYS 228 Ca 0.06 -0.51 -0.30 0.00 -2.02 0.00 0.00 58.31 55.54 1cnj n LYS 228 Cb 0.11 -1.49 0.14 0.00 -0.02 0.00 0.00 35.03 33.77 1cnj n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cnj s LEU 229 N -2.61 2.19 0.05 -0.35 2.01 -1.04 -4.87 118.68 114.06 1cnj s LEU 229 Ca 0.20 1.47 0.09 0.00 0.01 0.00 0.00 54.13 55.89 1cnj s LEU 229 Cb 0.18 -3.86 -0.03 0.00 0.01 0.00 0.00 46.19 42.49 1cnj s LEU 229 CO 0.59 -2.70 -0.25 0.20 1.01 0.00 0.00 176.35 175.20 1cnj s ASN 230 N -3.41 2.99 0.01 2.29 0.02 0.43 -0.65 114.94 116.62 1cnj s ASN 230 Ca 0.64 -0.59 -0.17 0.00 -1.02 0.00 0.00 52.86 51.72 1cnj s ASN 230 Cb -0.18 -0.26 -0.33 0.00 0.02 0.00 0.00 41.25 40.50 1cnj s ASN 230 CO 0.57 0.22 1.00 -0.26 0.02 0.00 0.00 177.10 178.65 1cnj h PHE 231 N 4.73 0.88 -4.13 2.20 0.04 -1.27 -3.35 116.94 116.04 1cnj h PHE 231 Ca -0.46 -0.62 -0.48 0.00 2.80 0.00 0.00 57.97 59.21 1cnj h PHE 231 Cb 1.15 -0.04 0.14 0.00 2.20 0.00 0.00 35.95 39.39 1cnj h PHE 231 CO 0.50 1.47 0.27 0.54 -0.60 0.00 0.00 178.31 180.49 1cnj s ASN 232 N -7.38 3.69 0.50 2.17 4.22 -1.26 -4.34 114.94 112.53 1cnj s ASN 232 Ca -0.10 1.40 -0.00 0.00 -2.14 0.00 0.00 52.86 52.01 1cnj s ASN 232 Cb 0.03 -2.09 0.01 0.00 1.28 0.00 0.00 41.25 40.48 1cnj s ASN 232 CO 0.91 -2.49 0.73 -0.83 -2.04 0.00 0.00 177.10 173.38 1cnj s GLY 233 N -3.57 1.64 0.32 0.45 0.00 -1.26 -1.31 107.32 103.58 1cnj s GLY 233 Ca 0.63 -1.08 -0.28 0.00 0.00 0.00 0.00 44.72 43.99 1cnj s GLY 233 CO 0.56 -0.86 1.25 -2.21 0.00 0.00 0.00 173.10 171.84 1cnj n GLU 234 N -2.22 1.97 0.00 2.90 2.13 -1.26 -2.12 120.64 122.04 1cnj n GLU 234 Ca 0.03 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1cnj n GLU 234 Cb 0.58 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1cnj n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cnj n GLY 235 N 1.00 2.72 3.84 8.31 0.00 -1.26 -5.02 105.19 114.78 1cnj n GLY 235 Ca 0.06 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1cnj n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cnj s GLU 236 N 0.00 3.69 0.36 1.61 2.02 -0.90 -4.99 118.70 120.49 1cnj s GLU 236 Ca 0.00 0.94 -0.26 0.00 0.02 0.00 0.00 54.97 55.66 1cnj s GLU 236 Cb 0.00 -2.09 -0.12 0.00 0.10 0.00 0.00 34.13 32.01 1cnj s GLU 236 CO 0.00 -0.49 1.08 -2.30 0.02 0.00 0.00 175.26 173.57 1cnj n PRO 237 N -2.07 1.56 -2.38 0.39 -0.02 -1.26 -4.85 135.00 126.36 1cnj n PRO 237 Ca 0.07 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 1cnj n PRO 237 Cb 0.54 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1cnj n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1cnj s GLU 238 N -1.83 4.28 -0.27 -0.52 2.12 -1.26 -4.76 118.70 116.46 1cnj s GLU 238 Ca 0.60 1.74 0.02 0.00 0.36 0.00 0.00 54.97 57.68 1cnj s GLU 238 Cb -0.61 -3.67 0.08 0.00 0.26 0.00 0.00 34.13 30.19 1cnj s GLU 238 CO 0.59 -0.60 -0.02 -1.21 -0.54 0.00 0.00 175.26 173.49 1cnj s GLU 239 N 2.88 1.55 0.34 4.30 2.02 -1.26 -5.06 118.70 123.47 1cnj s GLU 239 Ca 0.58 -1.27 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 1cnj s GLU 239 Cb -0.25 -2.70 -0.11 0.00 0.10 0.00 0.00 34.13 31.17 1cnj s GLU 239 CO 0.20 -0.73 1.49 -0.51 0.02 0.00 0.00 175.26 175.72 1cnj s LEU 240 N 1.26 4.34 -0.92 1.80 1.43 -1.26 -0.88 118.68 124.45 1cnj s LEU 240 Ca -0.00 2.96 -0.23 0.00 -1.03 0.00 0.00 54.13 55.84 1cnj s LEU 240 Cb -0.19 -3.66 0.07 0.00 0.03 0.00 0.00 46.19 42.44 1cnj s LEU 240 CO -0.09 -0.83 1.30 -0.32 0.23 0.00 0.00 176.35 176.64 1cnj s MET 241 N -1.60 3.48 0.04 1.70 -2.45 0.17 -4.62 119.30 116.02 1cnj s MET 241 Ca 0.55 -1.08 -0.04 0.00 -1.25 0.00 0.00 55.69 53.87 1cnj s MET 241 Cb -0.46 -4.95 -0.02 0.00 1.25 0.00 0.00 34.83 30.65 1cnj s MET 241 CO 0.57 -2.07 0.05 0.14 1.05 0.00 0.00 175.02 174.76 1cnj s VAL 242 N 4.52 0.16 -1.34 10.11 -7.23 -1.26 -4.51 120.40 120.84 1cnj s VAL 242 Ca 0.39 -1.31 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 1cnj s VAL 242 Cb -0.04 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.86 1cnj s VAL 242 CO -0.04 -0.73 0.99 0.47 -0.31 0.00 0.00 175.10 175.49 1cnj n ASP 243 N 0.58 -3.75 -2.70 4.85 8.00 -0.03 -4.86 116.55 118.63 1cnj n ASP 243 Ca -0.18 -0.67 -0.31 0.00 0.71 0.00 0.00 54.79 54.34 1cnj n ASP 243 Cb 0.59 -4.60 -0.03 0.00 -0.02 0.00 0.00 41.12 37.06 1cnj n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1cnj n ASN 244 N -3.02 6.86 -4.30 -2.24 6.94 -1.09 -4.91 115.26 113.50 1cnj n ASN 244 Ca -0.13 -3.36 -0.23 0.00 -0.02 0.00 0.00 54.58 50.84 1cnj n ASN 244 Cb 0.61 -1.20 -0.12 0.00 -2.36 0.00 0.00 39.78 36.70 1cnj n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1cnj s TRP 245 N -2.28 1.79 -0.10 -2.53 1.48 -1.26 -4.63 118.94 111.40 1cnj s TRP 245 Ca 0.56 -0.43 -0.06 0.00 -1.06 0.00 0.00 56.10 55.11 1cnj s TRP 245 Cb 0.37 -0.95 -0.04 0.00 -1.16 0.00 0.00 33.47 31.69 1cnj s TRP 245 CO -0.25 0.24 0.13 0.50 -4.06 0.00 0.00 176.95 173.50 1cnj s ARG 246 N -2.15 3.39 0.68 3.25 3.52 -1.26 -4.97 118.95 121.41 1cnj s ARG 246 Ca 0.09 -0.19 -0.15 0.00 -0.13 0.00 0.00 55.73 55.35 1cnj s ARG 246 Cb -0.09 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 30.18 1cnj s ARG 246 CO 0.05 0.76 1.13 -2.14 -0.81 0.00 0.00 175.30 174.28 1cnj s PRO 247 N -1.16 2.61 0.47 5.12 0.02 -1.26 -4.70 135.00 136.10 1cnj s PRO 247 Ca 0.17 1.46 -0.24 0.00 0.02 0.00 0.00 61.00 62.41 1cnj s PRO 247 Cb -0.12 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 1cnj s PRO 247 CO 0.06 -1.41 1.19 0.00 -0.33 0.00 0.00 177.00 176.51 1cnj n ALA 248 N -2.55 0.95 -2.69 -1.55 0.00 -1.26 -4.43 120.51 108.97 1cnj n ALA 248 Ca 0.11 0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.51 1cnj n ALA 248 Cb 0.52 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 1cnj n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1cnj s GLN 249 N -2.36 2.46 0.23 0.00 -1.52 0.94 -4.95 119.66 114.45 1cnj s GLN 249 Ca 0.65 -1.27 -0.32 0.00 -1.95 0.00 0.00 55.36 52.48 1cnj s GLN 249 Cb -0.49 -2.29 -0.12 0.00 -0.22 0.00 0.00 33.01 29.88 1cnj s GLN 249 CO 0.55 0.39 1.63 -2.30 -0.25 0.00 0.00 175.29 175.31 1cnj n PRO 250 N -0.80 2.59 0.08 2.91 -0.02 -1.26 -4.58 135.00 133.92 1cnj n PRO 250 Ca -0.07 0.93 -0.03 0.00 -2.02 0.00 0.00 63.50 62.31 1cnj n PRO 250 Cb 0.58 -2.73 0.21 0.00 -0.02 0.00 0.00 33.50 31.54 1cnj n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1cnj h LEU 251 N 5.79 0.28 0.00 2.45 5.85 -1.95 -3.44 115.31 124.30 1cnj h LEU 251 Ca -0.45 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1cnj h LEU 251 Cb 1.22 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1cnj h LEU 251 CO 0.88 0.67 0.00 0.29 -0.34 0.00 0.00 178.44 179.94 1cnj n LYS 252 N -4.02 0.00 -2.07 1.25 5.02 -1.26 -3.28 118.16 113.80 1cnj n LYS 252 Ca -0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 1cnj n LYS 252 Cb 0.49 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1cnj n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1cnj n ASN 253 N 0.65 6.45 -4.10 4.39 4.13 -1.26 -4.89 115.26 120.62 1cnj n ASN 253 Ca 0.00 -3.06 -0.12 0.00 1.68 0.00 0.00 54.58 53.08 1cnj n ASN 253 Cb 0.00 -1.45 -0.11 0.00 -1.54 0.00 0.00 39.78 36.68 1cnj n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1cnj s ARG 254 N 0.16 0.65 -0.05 3.52 0.52 -1.21 -5.12 118.95 117.41 1cnj s ARG 254 Ca 0.48 -0.96 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1cnj s ARG 254 Cb 0.14 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.32 1cnj s ARG 254 CO -0.05 0.03 -0.15 -1.14 0.02 0.00 0.00 175.30 174.02 1cnj s GLN 255 N -2.34 1.74 -0.18 3.54 0.74 -1.26 -5.05 119.66 116.86 1cnj s GLN 255 Ca -0.02 -0.52 -0.16 0.00 0.05 0.00 0.00 55.36 54.71 1cnj s GLN 255 Cb -0.05 -1.47 -0.04 0.00 1.10 0.00 0.00 33.01 32.55 1cnj s GLN 255 CO -0.01 0.14 0.41 0.42 -0.55 0.00 0.00 175.29 175.70 1cnj s ILE 256 N 0.32 5.20 0.01 -2.34 1.01 -1.26 -4.71 121.20 119.44 1cnj s ILE 256 Ca -0.09 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1cnj s ILE 256 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1cnj s ILE 256 CO 0.03 0.28 0.08 -0.54 0.00 0.00 0.00 174.94 174.79 1cnj s LYS 257 N 1.09 3.02 0.01 2.79 -0.14 -0.50 -1.29 119.74 124.73 1cnj s LYS 257 Ca 0.20 -0.53 0.06 0.00 -1.36 0.00 0.00 55.97 54.34 1cnj s LYS 257 Cb -0.15 -2.83 -0.03 0.00 -1.68 0.00 0.00 37.83 33.15 1cnj s LYS 257 CO 0.08 0.63 -0.17 0.00 -0.76 0.00 0.00 175.35 175.13 1cnj s ALA 258 N -1.23 2.61 -2.45 5.17 0.00 0.04 -0.53 121.76 125.37 1cnj s ALA 258 Ca 0.24 -1.13 0.27 0.00 0.00 0.00 0.00 51.96 51.34 1cnj s ALA 258 Cb -0.12 -0.80 1.02 0.00 0.00 0.00 0.00 23.12 23.22 1cnj s ALA 258 CO 0.15 0.57 1.73 -1.13 0.00 0.00 0.00 175.76 177.08 1cnj n SER 259 N 1.79 1.49 -4.16 0.00 3.41 -0.09 -1.11 113.62 114.95 1cnj n SER 259 Ca -0.16 -1.52 -0.13 0.00 -0.26 0.00 0.00 58.87 56.80 1cnj n SER 259 Cb 0.52 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 1cnj n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1cnj s PHE 260 N -1.97 0.94 -2.97 7.33 -0.71 -1.26 -4.90 117.98 114.44 1cnj s PHE 260 Ca 0.37 -0.73 0.24 0.00 -1.04 0.00 0.00 56.93 55.77 1cnj s PHE 260 Cb 0.20 -0.53 0.23 0.00 -1.21 0.00 0.00 43.02 41.72 1cnj s PHE 260 CO 0.32 -0.07 1.28 1.63 -1.34 0.00 0.00 175.22 177.05