#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x s VAL 2 N 0.00 0.00 0.28 2.03 0.11 -1.26 -5.18 120.40 116.38 2k3x s VAL 2 Ca 0.00 -1.60 0.01 0.00 -2.93 0.00 0.00 61.98 57.46 2k3x s VAL 2 Cb 0.00 -2.39 -0.03 0.00 -1.53 0.00 0.00 36.38 32.44 2k3x s VAL 2 CO 0.00 0.00 0.27 -0.62 -3.33 0.00 0.00 175.10 171.42 2k3x s ASP 3 N -3.11 0.82 0.22 3.54 2.15 -1.26 -5.00 116.67 114.03 2k3x s ASP 3 Ca 0.29 -1.50 0.13 0.00 0.43 0.00 0.00 52.55 51.89 2k3x s ASP 3 Cb 0.01 0.51 0.72 0.00 -0.30 0.00 0.00 42.92 43.86 2k3x s ASP 3 CO 0.13 -1.02 1.37 -0.11 -0.17 0.00 0.00 175.17 175.37 2k3x n LEU 4 N -0.46 0.34 -0.20 -1.34 7.94 -1.26 -0.92 117.00 121.10 2k3x n LEU 4 Ca 0.04 0.63 0.07 0.00 -1.11 0.00 0.00 56.01 55.63 2k3x n LEU 4 Cb 0.64 -0.65 0.35 0.00 0.53 0.00 0.00 43.42 44.28 2k3x n LEU 4 CO 0.31 -0.74 1.22 -0.33 -1.11 0.00 0.00 177.39 176.74 2k3x h GLU 5 N 0.00 0.75 0.00 1.96 5.08 -1.96 -3.36 114.58 117.04 2k3x h GLU 5 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k3x h GLU 5 Cb 0.14 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2k3x h GLU 5 CO 0.00 0.49 -0.47 1.04 -1.00 0.00 0.00 179.01 179.08 2k3x n GLN 6 N -4.49 2.92 -1.97 2.33 6.02 -0.10 -3.86 117.38 118.25 2k3x n GLN 6 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 2k3x n GLN 6 Cb 0.25 -0.71 -0.03 0.00 1.02 0.00 0.00 30.24 30.77 2k3x n GLN 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2k3x s GLU 7 N -1.00 4.19 0.56 -1.09 2.02 -0.49 -4.02 118.70 118.86 2k3x s GLU 7 Ca 0.00 2.25 -0.18 0.00 0.02 0.00 0.00 54.97 57.06 2k3x s GLU 7 Cb 0.00 -3.89 -0.09 0.00 0.10 0.00 0.00 34.13 30.25 2k3x s GLU 7 CO 0.00 -0.81 0.53 1.97 0.02 0.00 0.00 175.26 176.96 2k3x n PHE 8 N 6.71 -0.66 -3.77 1.61 -1.74 -1.26 -4.70 117.46 113.64 2k3x n PHE 8 Ca 0.17 0.45 -0.14 0.00 -0.56 0.00 0.00 57.45 57.37 2k3x n PHE 8 Cb 0.42 -1.96 -0.15 0.00 1.52 0.00 0.00 39.48 39.31 2k3x n PHE 8 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k3x s ALA 9 N -1.70 -0.07 -1.05 1.98 0.00 -1.26 -4.95 121.76 114.70 2k3x s ALA 9 Ca 0.68 0.42 0.01 0.00 0.00 0.00 0.00 51.96 53.07 2k3x s ALA 9 Cb -0.46 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.42 2k3x s ALA 9 CO 0.55 -0.11 1.02 1.47 0.00 0.00 0.00 175.76 178.68 2k3x n LEU 10 N 4.04 0.00 -0.02 0.00 -0.00 -1.26 -0.72 117.00 119.04 2k3x n LEU 10 Ca -0.25 0.47 0.01 0.00 -0.00 0.00 0.00 56.01 56.24 2k3x n LEU 10 Cb 0.52 -0.47 0.02 0.00 -0.00 0.00 0.00 43.42 43.48 2k3x n LEU 10 CO 0.21 -0.45 0.47 0.61 -0.00 0.00 0.00 177.39 178.23 2k3x n GLY 11 N -1.35 2.40 0.00 1.47 0.00 -1.26 -4.45 105.19 101.99 2k3x n GLY 11 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2k3x n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3x n GLY 12 N -0.54 1.00 3.21 -0.02 0.00 0.11 -5.10 105.19 103.84 2k3x n GLY 12 Ca 0.02 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 2k3x n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k3x s ARG 13 N 0.83 1.08 0.34 1.61 0.52 -1.26 -4.59 118.95 117.47 2k3x s ARG 13 Ca 0.00 -1.53 0.06 0.00 -0.52 0.00 0.00 55.73 53.75 2k3x s ARG 13 Cb 0.00 -0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.39 2k3x s ARG 13 CO 0.00 -0.21 0.24 0.00 0.02 0.00 0.00 175.30 175.35 2k3x s LEU 15 N -3.41 1.78 -0.07 0.00 2.01 0.19 -0.39 118.68 118.79 2k3x s LEU 15 Ca 0.37 -0.14 0.01 0.00 0.01 0.00 0.00 54.13 54.38 2k3x s LEU 15 Cb 0.03 -0.43 0.02 0.00 0.01 0.00 0.00 46.19 45.82 2k3x s LEU 15 CO 0.24 0.04 -0.08 0.00 1.01 0.00 0.00 176.35 177.56 2k3x s ALA 16 N 0.21 1.07 0.01 4.21 0.00 -0.41 -1.15 121.76 125.70 2k3x s ALA 16 Ca -0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.46 2k3x s ALA 16 Cb -0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 2k3x s ALA 16 CO 0.00 -0.05 0.44 0.12 0.00 0.00 0.00 175.76 176.27 2k3x s PHE 17 N 1.00 3.74 -0.20 0.00 2.19 -0.18 -1.53 117.98 123.00 2k3x s PHE 17 Ca -0.09 1.04 -0.01 0.00 0.33 0.00 0.00 56.93 58.20 2k3x s PHE 17 Cb -0.15 -2.33 -0.12 0.00 -1.31 0.00 0.00 43.02 39.12 2k3x s PHE 17 CO -0.00 0.63 -0.19 0.72 1.83 0.00 0.00 175.22 178.21 2k3x n HIS 18 N 1.82 0.00 0.00 10.12 8.25 -0.24 -4.72 115.22 130.45 2k3x n HIS 18 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2k3x n HIS 18 Cb 0.52 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.89 2k3x n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3x n GLY 19 N 2.39 2.03 0.22 -1.41 0.00 -1.26 -4.92 105.19 102.25 2k3x n GLY 19 Ca -0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 2k3x n GLY 19 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3x h PRO 20 N 0.00 0.38 0.00 1.61 0.11 -2.03 -3.45 132.00 128.61 2k3x h PRO 20 Ca 0.00 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 2k3x h PRO 20 Cb 0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 2k3x h PRO 20 CO 0.00 0.25 -0.04 -0.11 -0.21 0.00 0.00 178.00 177.89 2k3x n LEU 21 N -5.00 0.00 -4.19 2.35 7.94 -1.26 -5.01 117.00 111.82 2k3x n LEU 21 Ca 0.07 -0.84 -0.18 0.00 -1.11 0.00 0.00 56.01 53.95 2k3x n LEU 21 Cb 0.25 0.78 -0.12 0.00 0.53 0.00 0.00 43.42 44.86 2k3x n LEU 21 CO 0.23 -0.20 -0.45 -0.32 -1.11 0.00 0.00 177.39 175.54 2k3x s MET 22 N -2.22 0.88 0.05 1.96 -2.45 -1.26 -1.08 119.30 115.17 2k3x s MET 22 Ca 0.08 -1.05 0.03 0.00 -1.25 0.00 0.00 55.69 53.51 2k3x s MET 22 Cb -0.00 -0.84 -0.02 0.00 1.25 0.00 0.00 34.83 35.21 2k3x s MET 22 CO 0.06 0.18 -0.11 0.71 1.05 0.00 0.00 175.02 176.91 2k3x s TYR 23 N -1.58 0.91 0.63 4.11 2.02 -0.58 -4.96 117.35 117.90 2k3x s TYR 23 Ca 0.01 -0.45 -0.19 0.00 -0.37 0.00 0.00 57.07 56.08 2k3x s TYR 23 Cb -0.08 -0.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.93 2k3x s TYR 23 CO 0.02 -0.02 1.29 -1.21 -1.57 0.00 0.00 175.55 174.07 2k3x s GLU 24 N -1.53 2.67 0.12 -0.62 8.01 -1.26 -1.29 118.70 124.81 2k3x s GLU 24 Ca -0.05 2.06 0.07 0.00 0.01 0.00 0.00 54.97 57.05 2k3x s GLU 24 Cb -0.09 -1.90 -0.04 0.00 -4.31 0.00 0.00 34.13 27.79 2k3x s GLU 24 CO 0.01 -1.50 -0.16 0.00 0.01 0.00 0.00 175.26 173.62 2k3x s ALA 25 N -1.41 1.58 -0.33 5.21 0.00 0.48 -1.06 121.76 126.22 2k3x s ALA 25 Ca 0.81 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2k3x s ALA 25 Cb -0.37 -0.13 0.13 0.00 0.00 0.00 0.00 23.12 22.74 2k3x s ALA 25 CO 0.40 0.19 0.18 0.21 0.00 0.00 0.00 175.76 176.74 2k3x s LYS 26 N -2.36 0.43 0.55 0.00 2.20 -0.46 -0.41 119.74 119.69 2k3x s LYS 26 Ca 0.07 -1.05 -0.22 0.00 -0.36 0.00 0.00 55.97 54.42 2k3x s LYS 26 Cb -0.07 -1.26 -0.05 0.00 -1.51 0.00 0.00 37.83 34.95 2k3x s LYS 26 CO 0.04 -1.14 1.35 0.42 -0.36 0.00 0.00 175.35 175.66 2k3x s ILE 27 N 1.43 2.09 0.19 5.43 1.01 -1.26 -1.45 121.20 128.64 2k3x s ILE 27 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.87 2k3x s ILE 27 Cb -0.21 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.23 2k3x s ILE 27 CO -0.12 -0.00 0.00 -0.11 0.00 0.00 0.00 174.94 174.71 2k3x n LEU 28 N -1.07 -0.42 -4.54 2.97 0.00 -0.39 -4.61 117.00 108.95 2k3x n LEU 28 Ca 0.11 0.34 -0.37 0.00 0.00 0.00 0.00 56.01 56.08 2k3x n LEU 28 Cb 0.45 0.55 -0.12 0.00 0.00 0.00 0.00 43.42 44.30 2k3x n LEU 28 CO 0.52 -0.60 -0.22 -0.75 0.00 0.00 0.00 177.39 176.35 2k3x s LYS 29 N -2.00 3.84 -0.48 1.96 2.20 -1.16 -4.07 119.74 120.03 2k3x s LYS 29 Ca 0.00 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.22 2k3x s LYS 29 Cb 0.00 -3.51 0.13 0.00 -1.51 0.00 0.00 37.83 32.94 2k3x s LYS 29 CO 0.00 -0.16 0.26 0.96 -0.36 0.00 0.00 175.35 176.05 2k3x s ILE 30 N 1.63 3.15 0.55 5.43 -0.00 -0.02 -0.74 121.20 131.20 2k3x s ILE 30 Ca 0.07 -2.59 -0.20 0.00 -0.00 0.00 0.00 60.65 57.93 2k3x s ILE 30 Cb -0.15 -3.14 -0.05 0.00 -0.00 0.00 0.00 42.46 39.11 2k3x s ILE 30 CO 0.07 -0.75 1.19 0.86 -0.00 0.00 0.00 174.94 176.31 2k3x s TRP 31 N 0.50 2.56 -0.19 1.37 -0.11 0.10 -2.96 118.94 120.21 2k3x s TRP 31 Ca 0.13 1.52 -0.06 0.00 1.22 0.00 0.00 56.10 58.90 2k3x s TRP 31 Cb -0.22 -3.43 0.09 0.00 -1.50 0.00 0.00 33.47 28.41 2k3x s TRP 31 CO -0.04 -1.94 0.39 0.34 -4.62 0.00 0.00 176.95 171.08 2k3x s ASP 32 N -1.56 -0.13 0.00 5.86 -1.08 -1.08 -1.53 116.67 117.16 2k3x s ASP 32 Ca 0.73 0.90 0.04 0.00 -0.52 0.00 0.00 52.55 53.70 2k3x s ASP 32 Cb -0.29 1.23 0.18 0.00 -1.46 0.00 0.00 42.92 42.58 2k3x s ASP 32 CO 0.32 -0.24 1.10 -0.81 0.52 0.00 0.00 175.17 176.07 2k3x n PRO 33 N 5.38 0.01 0.29 4.34 -0.04 -1.26 -1.43 135.00 142.29 2k3x n PRO 33 Ca -0.08 0.40 0.15 0.00 -0.04 0.00 0.00 63.50 63.92 2k3x n PRO 33 Cb 0.49 -1.50 0.85 0.00 -0.04 0.00 0.00 33.50 33.31 2k3x n PRO 33 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k3x h SER 34 N 0.00 0.00 0.00 3.54 0.02 -1.93 -3.16 113.55 112.01 2k3x h SER 34 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3x h SER 34 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2k3x h SER 34 CO 0.00 0.06 -0.30 -1.20 -1.14 0.00 0.00 176.83 174.25 2k3x n SER 35 N -3.65 1.50 -4.10 3.07 7.64 -0.93 -5.03 113.62 112.12 2k3x n SER 35 Ca -0.02 -0.18 -0.30 0.00 1.01 0.00 0.00 58.87 59.37 2k3x n SER 35 Cb 0.16 0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 2k3x n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3x n LYS 36 N -0.82 -2.91 -3.72 1.43 5.02 -0.51 -4.97 118.16 111.68 2k3x n LYS 36 Ca 0.00 0.35 -0.14 0.00 -2.02 0.00 0.00 58.31 56.50 2k3x n LYS 36 Cb 0.00 -4.61 -0.04 0.00 -0.02 0.00 0.00 35.03 30.36 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2k3x n MET 37 N -4.42 0.50 -1.86 1.97 2.81 -1.25 -4.88 117.12 110.00 2k3x n MET 37 Ca -0.17 -2.55 -0.01 0.00 -1.81 0.00 0.00 57.70 53.16 2k3x n MET 37 Cb 0.62 2.30 -0.00 0.00 -0.71 0.00 0.00 33.22 35.43 2k3x n MET 37 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 2k3x n TYR 38 N -0.51 -0.57 -3.54 2.03 0.18 -1.26 -2.62 117.16 110.86 2k3x n TYR 38 Ca 0.03 -0.05 -0.10 0.00 1.88 0.00 0.00 57.90 59.65 2k3x n TYR 38 Cb 0.50 -0.01 -0.04 0.00 -0.38 0.00 0.00 39.34 39.42 2k3x n TYR 38 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2k3x s THR 39 N -0.65 0.00 0.20 -3.48 -4.23 -1.15 -3.60 115.64 102.72 2k3x s THR 39 Ca 0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.28 2k3x s THR 39 Cb -0.00 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.90 2k3x s THR 39 CO 0.00 0.00 0.93 -0.55 -0.54 0.00 0.00 174.62 174.46 2k3x s SER 40 N -1.66 -0.14 0.06 3.99 0.15 -1.23 -0.84 113.70 114.03 2k3x s SER 40 Ca 0.00 -0.55 0.01 0.00 0.70 0.00 0.00 55.95 56.11 2k3x s SER 40 Cb -0.01 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2k3x s SER 40 CO -0.02 -1.05 -0.06 0.27 1.20 0.00 0.00 173.24 173.59 2k3x s ILE 41 N -3.07 0.49 -0.84 6.45 -5.25 -1.26 -0.93 121.20 116.78 2k3x s ILE 41 Ca 0.14 -1.43 -0.14 0.00 -0.99 0.00 0.00 60.65 58.23 2k3x s ILE 41 Cb -0.02 -1.03 -0.10 0.00 2.95 0.00 0.00 42.46 44.25 2k3x s ILE 41 CO 0.04 -0.64 2.01 -0.81 -1.79 0.00 0.00 174.94 173.75 2k3x n PRO 42 N 0.81 1.78 -0.02 0.37 -0.04 -1.21 -4.63 135.00 132.06 2k3x n PRO 42 Ca -0.18 -1.67 0.12 0.00 -0.04 0.00 0.00 63.50 61.72 2k3x n PRO 42 Cb 0.58 -2.71 0.59 0.00 -0.04 0.00 0.00 33.50 31.92 2k3x n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k3x n ASN 43 N 5.95 0.63 -1.05 3.54 5.15 -1.26 -4.52 115.26 123.69 2k3x n ASN 43 Ca 0.47 -1.42 0.02 0.00 -0.60 0.00 0.00 54.58 53.05 2k3x n ASN 43 Cb 0.28 -0.03 -0.01 0.00 -0.53 0.00 0.00 39.78 39.49 2k3x n ASN 43 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k3x n ASP 44 N -0.42 -5.66 -2.24 1.20 2.03 -1.26 -4.95 116.55 105.25 2k3x n ASP 44 Ca 0.17 1.23 -0.07 0.00 0.52 0.00 0.00 54.79 56.64 2k3x n ASP 44 Cb 0.18 -3.15 0.04 0.00 -0.72 0.00 0.00 41.12 37.46 2k3x n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k3x n LYS 45 N -2.46 -1.91 0.27 -0.67 5.02 -1.26 -4.84 118.16 112.31 2k3x n LYS 45 Ca -0.01 0.40 0.18 0.00 -2.02 0.00 0.00 58.31 56.87 2k3x n LYS 45 Cb 0.35 -3.76 0.87 0.00 -0.02 0.00 0.00 35.03 32.47 2k3x n LYS 45 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2k3x h PRO 46 N -0.67 0.00 0.00 1.97 0.13 -1.95 -3.43 132.00 128.05 2k3x h PRO 46 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2k3x h PRO 46 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k3x h PRO 46 CO 0.22 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.40 2k3x n GLY 47 N -0.57 0.66 3.27 1.56 0.00 -1.26 -5.03 105.19 103.82 2k3x n GLY 47 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2k3x n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3x s GLY 48 N 0.00 -0.30 0.31 -0.02 0.00 -1.26 -5.02 107.32 101.02 2k3x s GLY 48 Ca 0.00 1.33 -0.30 0.00 0.00 0.00 0.00 44.72 45.75 2k3x s GLY 48 CO 0.00 1.36 1.57 1.44 0.00 0.00 0.00 173.10 177.47 2k3x n SER 49 N 3.67 3.83 0.00 1.64 7.64 -1.26 -4.57 113.62 124.57 2k3x n SER 49 Ca -0.19 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.85 2k3x n SER 49 Cb 0.56 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 2k3x n SER 49 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k3x n SER 50 N 1.84 0.00 -3.61 6.43 7.64 -1.26 -4.97 113.62 119.69 2k3x n SER 50 Ca 0.07 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.90 2k3x n SER 50 Cb 0.37 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.53 2k3x n SER 50 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2k3x s GLN 51 N 0.00 0.30 -1.06 1.43 0.74 -1.26 -4.86 119.66 114.94 2k3x s GLN 51 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 55.36 55.36 2k3x s GLN 51 Cb 0.00 0.14 0.08 0.00 1.10 0.00 0.00 33.01 34.33 2k3x s GLN 51 CO 0.00 -0.11 2.56 0.00 -0.55 0.00 0.00 175.29 177.19 2k3x n ALA 52 N 0.36 6.75 -0.98 1.58 0.00 -1.26 -4.80 120.51 122.16 2k3x n ALA 52 Ca -0.03 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.71 2k3x n ALA 52 Cb 0.58 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.41 2k3x n ALA 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3x n THR 53 N 1.62 0.00 -2.68 0.00 -1.04 -1.26 -3.28 114.28 107.64 2k3x n THR 53 Ca 0.59 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.60 2k3x n THR 53 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 2k3x n THR 53 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2k3x n LYS 54 N 0.00 0.00 -1.63 -2.82 4.81 -1.26 -4.73 118.16 112.52 2k3x n LYS 54 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 2k3x n LYS 54 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2k3x s GLU 55 N -0.70 2.25 -0.07 1.64 8.01 -1.26 -3.92 118.70 124.65 2k3x s GLU 55 Ca 0.00 1.34 -0.30 0.00 0.01 0.00 0.00 54.97 56.02 2k3x s GLU 55 Cb 0.00 -4.54 -0.02 0.00 -4.31 0.00 0.00 34.13 25.26 2k3x s GLU 55 CO 0.00 -3.11 1.12 0.42 0.01 0.00 0.00 175.26 173.70 2k3x s ILE 56 N 11.47 4.46 0.52 -1.63 1.01 -0.11 -4.95 121.20 131.97 2k3x s ILE 56 Ca 0.93 1.76 -0.19 0.00 0.00 0.00 0.00 60.65 63.15 2k3x s ILE 56 Cb -0.18 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 2k3x s ILE 56 CO 0.26 0.00 1.08 -0.54 0.00 0.00 0.00 174.94 175.74 2k3x s LYS 57 N 2.11 3.55 0.17 2.79 -0.14 -1.26 -3.58 119.74 123.38 2k3x s LYS 57 Ca 0.53 1.43 -0.34 0.00 -1.36 0.00 0.00 55.97 56.24 2k3x s LYS 57 Cb -0.22 -2.05 -0.14 0.00 -1.68 0.00 0.00 37.83 33.73 2k3x s LYS 57 CO 0.20 -0.65 1.48 -2.30 -0.76 0.00 0.00 175.35 173.32 2k3x n PRO 58 N -1.26 1.91 -3.76 -1.68 -0.02 -1.24 -4.77 135.00 124.18 2k3x n PRO 58 Ca 0.10 0.69 -0.13 0.00 -2.02 0.00 0.00 63.50 62.14 2k3x n PRO 58 Cb 0.52 -2.40 -0.12 0.00 -0.02 0.00 0.00 33.50 31.48 2k3x n PRO 58 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2k3x s GLN 59 N 0.50 0.29 0.15 -0.52 2.00 -1.26 -4.98 119.66 115.84 2k3x s GLN 59 Ca 0.77 0.43 -0.34 0.00 -2.00 0.00 0.00 55.36 54.22 2k3x s GLN 59 Cb -0.73 0.07 -0.15 0.00 0.80 0.00 0.00 33.01 33.00 2k3x s GLN 59 CO 0.42 -0.07 1.34 1.17 -0.50 0.00 0.00 175.29 177.65 2k3x n LYS 60 N 3.32 1.49 -3.39 1.67 4.81 -1.26 -4.28 118.16 120.53 2k3x n LYS 60 Ca -0.16 0.54 -0.23 0.00 -0.87 0.00 0.00 58.31 57.59 2k3x n LYS 60 Cb 0.57 -2.16 0.03 0.00 0.02 0.00 0.00 35.03 33.49 2k3x n LYS 60 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2k3x n LEU 61 N 2.46 0.00 0.00 3.14 -0.00 -1.26 -4.91 117.00 116.42 2k3x n LEU 61 Ca 0.16 -2.66 0.00 0.00 -0.00 0.00 0.00 56.01 53.51 2k3x n LEU 61 Cb 0.25 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 2k3x n LEU 61 CO 0.62 -0.64 0.00 0.61 -0.00 0.00 0.00 177.39 177.98 2k3x n GLY 62 N -1.75 0.88 0.15 1.47 0.00 -1.26 -5.04 105.19 99.64 2k3x n GLY 62 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 2k3x n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k3x h GLU 63 N 0.00 0.23 0.00 1.61 4.39 -2.02 -3.41 114.58 115.37 2k3x h GLU 63 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2k3x h GLU 63 Cb 0.00 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2k3x h GLU 63 CO 0.00 0.88 0.00 -3.47 -1.16 0.00 0.00 179.01 175.26 2k3x n ASP 64 N -3.76 0.00 -4.16 1.42 2.03 -1.26 -5.14 116.55 105.68 2k3x n ASP 64 Ca -0.03 -0.36 -0.10 0.00 0.52 0.00 0.00 54.79 54.82 2k3x n ASP 64 Cb 0.72 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.02 2k3x n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2k3x s GLU 65 N 0.00 0.82 -0.17 -0.67 1.03 -1.26 -5.08 118.70 113.36 2k3x s GLU 65 Ca 0.00 -1.35 -0.18 0.00 0.03 0.00 0.00 54.97 53.47 2k3x s GLU 65 Cb 0.00 -0.04 0.05 0.00 -0.80 0.00 0.00 34.13 33.34 2k3x s GLU 65 CO 0.00 -0.09 0.51 -1.12 -1.33 0.00 0.00 175.26 173.23 2k3x s SER 66 N -3.03 -0.52 -0.22 0.83 0.01 -1.26 -4.15 113.70 105.35 2k3x s SER 66 Ca 0.14 0.96 -0.09 0.00 1.31 0.00 0.00 55.95 58.27 2k3x s SER 66 Cb 0.06 0.98 -0.04 0.00 0.21 0.00 0.00 66.02 67.23 2k3x s SER 66 CO -0.04 -0.22 0.11 0.27 0.41 0.00 0.00 173.24 173.77 2k3x s ILE 67 N 0.09 4.98 0.55 1.44 -0.00 -1.26 -4.86 121.20 122.14 2k3x s ILE 67 Ca -0.01 0.05 -0.18 0.00 -0.00 0.00 0.00 60.65 60.50 2k3x s ILE 67 Cb -0.03 -3.30 -0.06 0.00 -0.00 0.00 0.00 42.46 39.07 2k3x s ILE 67 CO 0.01 0.38 1.09 -2.16 -0.00 0.00 0.00 174.94 174.26 2k3x s PRO 68 N 0.97 3.42 0.63 0.37 0.04 -1.26 -4.89 135.00 134.27 2k3x s PRO 68 Ca 0.06 1.43 0.34 0.00 0.04 0.00 0.00 61.00 62.86 2k3x s PRO 68 Cb -0.14 -2.03 1.88 0.00 0.04 0.00 0.00 34.50 34.25 2k3x s PRO 68 CO 0.03 -0.76 2.14 0.93 0.04 0.00 0.00 177.00 179.38 2k3x h GLU 69 N 1.03 0.00 -0.83 4.56 5.08 -1.99 -1.64 114.58 120.79 2k3x h GLU 69 Ca -0.49 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 57.96 2k3x h GLU 69 Cb 1.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 2k3x h GLU 69 CO 0.57 0.00 0.54 1.49 -1.00 0.00 0.00 179.01 180.61 2k3x h GLU 70 N 0.00 0.78 0.00 2.33 4.81 -2.04 -3.17 114.58 117.29 2k3x h GLU 70 Ca 0.04 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2k3x h GLU 70 Cb 0.38 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2k3x h GLU 70 CO -0.00 0.52 -1.91 0.44 -0.73 0.00 0.00 179.01 177.32 2k3x n ILE 71 N -4.51 0.63 -0.31 2.32 -5.35 -0.64 -4.70 119.36 106.79 2k3x n ILE 71 Ca 0.14 -0.53 0.20 0.00 -0.27 0.00 0.00 62.75 62.28 2k3x n ILE 71 Cb 0.30 -0.32 0.46 0.00 -1.74 0.00 0.00 39.64 38.34 2k3x n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3x h ILE 72 N 0.00 0.59 0.00 7.28 2.04 -1.47 -1.05 117.51 124.90 2k3x h ILE 72 Ca -0.25 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2k3x h ILE 72 Cb 1.46 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2k3x h ILE 72 CO 0.01 0.09 0.00 -0.46 0.00 0.00 0.00 178.15 177.79 2k3x n ASN 73 N -4.65 0.00 -4.22 1.72 0.23 -1.26 -4.12 115.26 102.97 2k3x n ASN 73 Ca 0.24 -0.62 -0.16 0.00 -0.53 0.00 0.00 54.58 53.50 2k3x n ASN 73 Cb 0.77 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.37 2k3x n ASN 73 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2k3x s GLY 74 N -1.89 1.76 0.39 4.83 0.00 -0.40 -4.95 107.32 107.06 2k3x s GLY 74 Ca 0.19 -1.81 -0.27 0.00 0.00 0.00 0.00 44.72 42.83 2k3x s GLY 74 CO 0.15 -1.56 1.37 0.28 0.00 0.00 0.00 173.10 173.34 2k3x n LYS 75 N -0.46 2.26 -5.24 2.90 5.02 -1.26 -4.43 118.16 116.94 2k3x n LYS 75 Ca 0.01 0.80 -0.31 0.00 -2.02 0.00 0.00 58.31 56.78 2k3x n LYS 75 Cb 0.66 -2.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.01 2k3x n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3x s PHE 77 N -0.05 3.57 -0.18 0.00 0.08 0.22 -0.72 117.98 120.90 2k3x s PHE 77 Ca -0.07 -2.39 -0.29 0.00 0.12 0.00 0.00 56.93 54.30 2k3x s PHE 77 Cb -0.15 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 2k3x s PHE 77 CO 0.05 -0.96 1.71 0.12 -0.10 0.00 0.00 175.22 176.04 2k3x s PHE 78 N 1.14 1.92 0.05 0.36 5.36 0.08 -1.51 117.98 125.39 2k3x s PHE 78 Ca 0.07 0.42 0.05 0.00 -0.96 0.00 0.00 56.93 56.51 2k3x s PHE 78 Cb -0.22 -3.99 -0.02 0.00 -0.34 0.00 0.00 43.02 38.44 2k3x s PHE 78 CO -0.04 -3.38 -0.14 0.96 -1.46 0.00 0.00 175.22 171.17 2k3x s ILE 79 N 5.33 1.06 -0.21 3.12 -4.36 -0.25 -1.26 121.20 124.63 2k3x s ILE 79 Ca 0.76 -1.09 -0.25 0.00 -0.26 0.00 0.00 60.65 59.81 2k3x s ILE 79 Cb -0.28 -0.99 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 2k3x s ILE 79 CO 0.31 -0.09 0.83 -2.28 0.24 0.00 0.00 174.94 173.95 2k3x s HIS 80 N -1.00 3.36 -0.69 1.37 5.65 -0.53 -2.15 115.29 121.30 2k3x s HIS 80 Ca -0.00 1.19 -0.27 0.00 0.25 0.00 0.00 55.06 56.23 2k3x s HIS 80 Cb -0.09 -3.03 0.01 0.00 -1.18 0.00 0.00 32.58 28.29 2k3x s HIS 80 CO 0.02 -0.33 1.47 0.71 -0.65 0.00 0.00 174.74 175.95 2k3x s TYR 81 N 2.55 2.09 0.57 3.88 2.02 -1.23 -1.35 117.35 125.88 2k3x s TYR 81 Ca 0.36 0.25 -0.17 0.00 -0.37 0.00 0.00 57.07 57.15 2k3x s TYR 81 Cb -0.16 -4.44 -0.05 0.00 -0.40 0.00 0.00 41.96 36.91 2k3x s TYR 81 CO 0.09 -2.14 1.06 -0.65 -1.57 0.00 0.00 175.55 172.34 2k3x s GLN 82 N 6.12 3.41 0.00 -0.62 -0.21 -0.23 -2.48 119.66 125.65 2k3x s GLN 82 Ca 0.46 1.25 0.00 0.00 0.02 0.00 0.00 55.36 57.10 2k3x s GLN 82 Cb -0.10 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.87 2k3x s GLN 82 CO 0.18 -0.74 0.00 0.41 -2.12 0.00 0.00 175.29 173.01 2k3x n GLY 83 N -0.79 0.39 3.29 3.09 0.00 -1.26 -4.30 105.19 105.61 2k3x n GLY 83 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 2k3x n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k3x s TRP 84 N -1.97 1.45 0.39 1.61 0.52 -1.03 -5.13 118.94 114.78 2k3x s TRP 84 Ca 0.00 -1.28 -0.26 0.00 0.02 0.00 0.00 56.10 54.59 2k3x s TRP 84 Cb 0.00 -0.80 -0.11 0.00 -1.15 0.00 0.00 33.47 31.41 2k3x s TRP 84 CO 0.00 -0.46 1.18 1.63 0.02 0.00 0.00 176.95 179.32 2k3x n LYS 85 N -0.44 1.77 0.12 4.98 4.01 -1.26 -4.87 118.16 122.46 2k3x n LYS 85 Ca 0.01 0.63 0.09 0.00 -0.51 0.00 0.00 58.31 58.52 2k3x n LYS 85 Cb 0.66 -2.23 0.44 0.00 -0.51 0.00 0.00 35.03 33.39 2k3x n LYS 85 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2k3x n SER 86 N 0.50 0.43 0.30 4.39 7.64 -1.26 -0.94 113.62 124.68 2k3x n SER 86 Ca 0.07 0.69 0.19 0.00 1.01 0.00 0.00 58.87 60.83 2k3x n SER 86 Cb 0.38 -0.75 1.01 0.00 -1.01 0.00 0.00 64.21 63.84 2k3x n SER 86 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3x h SER 87 N 0.00 0.00 -0.34 6.43 0.02 -1.95 -1.36 113.55 116.35 2k3x h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3x h SER 87 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2k3x h SER 87 CO 0.00 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.48 2k3x n TRP 88 N -2.85 0.86 -2.00 3.45 7.02 -0.11 -4.76 117.44 119.05 2k3x n TRP 88 Ca -0.02 -0.33 -0.32 0.00 -1.02 0.00 0.00 57.50 55.80 2k3x n TRP 88 Cb 0.12 -0.18 -0.04 0.00 -2.42 0.00 0.00 31.31 28.78 2k3x n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2k3x s ASP 89 N -0.66 5.11 -0.00 -0.99 1.01 -0.51 -3.53 116.67 117.09 2k3x s ASP 89 Ca 0.28 -0.07 -0.07 0.00 0.71 0.00 0.00 52.55 53.40 2k3x s ASP 89 Cb 0.19 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.58 2k3x s ASP 89 CO 0.13 -2.63 0.14 -0.70 0.21 0.00 0.00 175.17 172.31 2k3x s GLU 90 N 7.18 0.47 0.52 8.23 2.56 -0.91 -4.91 118.70 131.84 2k3x s GLU 90 Ca 0.71 -0.37 -0.15 0.00 0.00 0.00 0.00 54.97 55.16 2k3x s GLU 90 Cb -0.10 0.20 -0.07 0.00 2.00 0.00 0.00 34.13 36.15 2k3x s GLU 90 CO 0.11 -0.11 0.97 -1.58 -0.56 0.00 0.00 175.26 174.09 2k3x s TRP 91 N -1.32 3.49 0.08 5.30 0.52 -1.26 -1.09 118.94 124.66 2k3x s TRP 91 Ca -0.14 1.39 0.02 0.00 0.02 0.00 0.00 56.10 57.39 2k3x s TRP 91 Cb -0.07 -2.74 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 2k3x s TRP 91 CO 0.02 -0.40 -0.06 0.14 0.02 0.00 0.00 176.95 176.66 2k3x s VAL 92 N -2.70 0.61 0.56 4.03 -7.23 -0.57 -4.90 120.40 110.20 2k3x s VAL 92 Ca 0.57 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2k3x s VAL 92 Cb -0.10 -1.42 0.04 0.00 0.56 0.00 0.00 36.38 35.46 2k3x s VAL 92 CO 0.35 -0.77 0.79 -0.83 -0.31 0.00 0.00 175.10 174.33 2k3x s GLY 93 N -2.70 1.82 0.60 2.32 0.00 -1.26 -0.61 107.32 107.50 2k3x s GLY 93 Ca 0.06 -1.31 0.37 0.00 0.00 0.00 0.00 44.72 43.84 2k3x s GLY 93 CO -0.04 -1.02 2.22 -1.82 0.00 0.00 0.00 173.10 172.44 2k3x h TYR 94 N 0.03 0.00 0.00 1.90 5.03 -1.81 0.17 116.97 122.29 2k3x h TYR 94 Ca -0.42 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.89 2k3x h TYR 94 Cb 1.30 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.58 2k3x h TYR 94 CO 0.36 0.03 0.02 -3.47 -1.32 0.00 0.00 178.16 173.78 2k3x n ASP 95 N -3.30 0.56 0.00 -2.11 2.03 -1.26 -3.26 116.55 109.20 2k3x n ASP 95 Ca -0.02 0.75 0.00 0.00 0.52 0.00 0.00 54.79 56.04 2k3x n ASP 95 Cb 0.16 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 2k3x n ASP 95 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k3x n ARG 96 N -2.26 0.74 -4.04 -0.67 3.00 -0.06 -4.96 116.66 108.40 2k3x n ARG 96 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.53 2k3x n ARG 96 Cb 0.06 -0.96 -0.06 0.00 0.00 0.00 0.00 32.46 31.49 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2k3x s ILE 97 N -1.93 4.58 0.03 0.55 2.07 -0.54 -1.01 121.20 124.95 2k3x s ILE 97 Ca 0.00 -0.78 -0.02 0.00 -1.41 0.00 0.00 60.65 58.44 2k3x s ILE 97 Cb 0.00 -3.23 -0.02 0.00 0.13 0.00 0.00 42.46 39.34 2k3x s ILE 97 CO 0.00 0.10 0.01 -0.13 -1.91 0.00 0.00 174.94 173.01 2k3x s ARG 98 N -2.48 0.47 1.02 3.50 0.52 -0.30 -4.58 118.95 117.10 2k3x s ARG 98 Ca 0.30 -0.81 -0.12 0.00 -0.52 0.00 0.00 55.73 54.58 2k3x s ARG 98 Cb -0.12 0.17 0.20 0.00 0.52 0.00 0.00 34.95 35.72 2k3x s ARG 98 CO 0.23 -0.09 1.08 0.00 0.02 0.00 0.00 175.30 176.53 2k3x s ALA 99 N -2.45 0.70 -0.04 2.13 0.00 -1.26 -0.64 121.76 120.19 2k3x s ALA 99 Ca -0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 2k3x s ALA 99 Cb -0.02 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 2k3x s ALA 99 CO -0.04 -3.03 1.40 -0.47 0.00 0.00 0.00 175.76 173.62 2k3x s TYR 100 N -2.75 2.73 0.21 0.00 5.04 0.62 -4.59 117.35 118.60 2k3x s TYR 100 Ca 0.66 0.78 -0.23 0.00 -2.44 0.00 0.00 57.07 55.84 2k3x s TYR 100 Cb -0.21 -3.66 0.04 0.00 0.35 0.00 0.00 41.96 38.49 2k3x s TYR 100 CO 0.60 -2.45 0.78 0.54 -1.34 0.00 0.00 175.55 173.67 2k3x s ASN 101 N 2.11 -0.29 0.42 4.32 2.20 -1.25 -4.62 114.94 117.82 2k3x s ASN 101 Ca 0.63 -0.42 0.10 0.00 -0.94 0.00 0.00 52.86 52.23 2k3x s ASN 101 Cb -0.29 0.62 0.88 0.00 -2.00 0.00 0.00 41.25 40.46 2k3x s ASN 101 CO 0.24 -1.12 2.00 -0.08 -2.94 0.00 0.00 177.10 175.20 2k3x h GLU 102 N 2.00 0.30 -0.22 3.55 4.81 -1.94 -0.81 114.58 122.28 2k3x h GLU 102 Ca -0.23 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.85 2k3x h GLU 102 Cb 1.25 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2k3x h GLU 102 CO 0.26 0.31 -0.33 1.49 -0.73 0.00 0.00 179.01 180.02 2k3x h GLU 103 N 0.30 0.45 0.00 1.92 4.81 -1.98 0.21 114.58 120.30 2k3x h GLU 103 Ca 0.07 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2k3x h GLU 103 Cb 0.17 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2k3x h GLU 103 CO 0.00 0.72 -0.06 -0.91 -0.73 0.00 0.00 179.01 178.04 2k3x h ASN 104 N 0.39 0.00 1.06 1.04 2.35 -1.57 -1.44 115.58 117.42 2k3x h ASN 104 Ca 0.05 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 2k3x h ASN 104 Cb 0.76 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 2k3x h ASN 104 CO 0.06 0.01 -0.99 0.40 -1.65 0.00 0.00 177.43 175.26 2k3x h ILE 105 N 0.00 1.04 -0.39 2.81 5.03 -0.88 0.20 117.51 125.33 2k3x h ILE 105 Ca -0.00 -2.60 -0.07 0.00 -0.12 0.00 0.00 64.86 62.07 2k3x h ILE 105 Cb 1.01 2.47 -0.01 0.00 -3.03 0.00 0.00 36.82 37.25 2k3x h ILE 105 CO 0.00 0.59 -0.04 0.00 -0.68 0.00 0.00 178.15 178.02 2k3x h ALA 106 N 1.27 0.53 -0.51 1.87 0.00 -0.35 0.13 119.26 122.20 2k3x h ALA 106 Ca -0.07 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.56 2k3x h ALA 106 Cb 1.62 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2k3x h ALA 106 CO 0.08 0.35 0.34 0.00 0.00 0.00 0.00 179.25 180.02 2k3x h MET 107 N 0.54 0.67 0.52 0.00 -0.00 -1.26 -1.58 114.93 113.82 2k3x h MET 107 Ca 0.11 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.75 2k3x h MET 107 Cb 0.54 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 31.97 2k3x h MET 107 CO 0.03 0.44 -0.40 -0.22 -0.00 0.00 0.00 176.91 176.76 2k3x h LYS 108 N 0.69 -0.86 -0.44 -0.10 1.63 -0.61 -0.57 116.57 116.31 2k3x h LYS 108 Ca 0.19 0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.94 2k3x h LYS 108 Cb -0.07 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 2k3x h LYS 108 CO -0.05 -0.57 -0.17 1.57 -3.45 0.00 0.00 179.45 176.78 2k3x h LYS 109 N -0.90 0.84 -0.27 1.90 2.10 -0.68 0.10 116.57 119.67 2k3x h LYS 109 Ca -0.06 -0.32 -0.14 0.00 -2.00 0.00 0.00 60.65 58.14 2k3x h LYS 109 Cb 0.76 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.03 2k3x h LYS 109 CO 0.01 0.95 -0.39 0.07 -2.00 0.00 0.00 179.45 178.09 2k3x h ARG 110 N 0.74 0.63 0.16 0.07 -0.00 -1.26 -2.84 114.38 111.89 2k3x h ARG 110 Ca 0.11 -0.31 -0.01 0.00 -0.00 0.00 0.00 59.98 59.77 2k3x h ARG 110 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.66 2k3x h ARG 110 CO 0.05 0.91 -0.08 -0.07 -0.00 0.00 0.00 179.97 180.78 2k3x h LEU 111 N 0.52 -0.19 -2.64 0.08 3.38 -0.72 -3.05 115.31 112.69 2k3x h LEU 111 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k3x h LEU 111 Cb 0.90 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2k3x h LEU 111 CO 0.08 -0.12 0.07 0.00 0.09 0.00 0.00 178.44 178.56 2k3x h ALA 112 N 0.60 1.07 0.00 1.53 0.00 -0.63 0.39 119.26 122.22 2k3x h ALA 112 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k3x h ALA 112 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k3x h ALA 112 CO 0.04 -0.07 -0.07 -2.95 0.00 0.00 0.00 179.25 176.20 2k3x h ASN 113 N 0.00 0.00 0.41 0.00 7.08 -1.39 -2.81 115.58 118.88 2k3x h ASN 113 Ca 0.00 0.00 -0.24 0.00 -3.08 0.00 0.00 56.30 52.98 2k3x h ASN 113 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.39 2k3x h ASN 113 CO 0.00 0.07 -1.03 0.25 -2.08 0.00 0.00 177.43 174.64 2k3x h LEU 114 N 0.00 0.51 0.00 6.14 7.12 -1.08 -3.53 115.31 124.47 2k3x h LEU 114 Ca -0.00 -0.44 0.00 0.00 0.13 0.00 0.00 57.88 57.57 2k3x h LEU 114 Cb 0.14 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 2k3x h LEU 114 CO 0.01 1.26 0.00 1.21 -0.13 0.00 0.00 178.44 180.79