#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x n VAL 2 N 0.00 0.00 -0.25 1.12 0.24 -1.26 -4.84 118.33 113.34 2k3x n VAL 2 Ca 0.00 -0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.23 2k3x n VAL 2 Cb 0.00 0.54 0.05 0.00 -1.47 0.00 0.00 33.84 32.96 2k3x n VAL 2 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2k3x h ASP 3 N 0.00 0.94 1.27 -1.34 3.58 -2.02 -1.65 116.42 117.20 2k3x h ASP 3 Ca 0.00 -0.16 -0.12 0.00 0.42 0.00 0.00 57.03 57.18 2k3x h ASP 3 Cb 0.00 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 2k3x h ASP 3 CO 0.00 0.83 -0.56 -0.07 -2.88 0.00 0.00 179.24 176.57 2k3x h LEU 4 N 0.98 0.00 -0.95 2.28 3.38 -1.97 -3.21 115.31 115.82 2k3x h LEU 4 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2k3x h LEU 4 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k3x h LEU 4 CO -0.02 0.56 0.00 -0.08 0.09 0.00 0.00 178.44 178.98 2k3x h GLU 5 N 0.00 0.00 -0.04 1.13 4.57 -1.64 -2.36 114.58 116.25 2k3x h GLU 5 Ca -0.01 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2k3x h GLU 5 Cb 1.35 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 2k3x h GLU 5 CO 0.07 0.00 -0.32 0.37 -1.18 0.00 0.00 179.01 177.95 2k3x h GLN 6 N 0.00 0.07 -7.09 1.92 4.15 -1.48 -3.35 115.11 109.33 2k3x h GLN 6 Ca 0.00 -0.02 -0.47 0.00 0.77 0.00 0.00 58.65 58.92 2k3x h GLN 6 Cb 0.34 -0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.05 2k3x h GLN 6 CO 0.00 0.38 0.39 -1.21 -1.93 0.00 0.00 178.83 176.46 2k3x s GLU 7 N -4.31 3.74 0.37 1.69 2.02 -0.89 -4.02 118.70 117.31 2k3x s GLU 7 Ca -0.04 1.35 -0.26 0.00 0.02 0.00 0.00 54.97 56.04 2k3x s GLU 7 Cb 0.15 -2.09 -0.12 0.00 0.10 0.00 0.00 34.13 32.17 2k3x s GLU 7 CO 0.73 -0.48 1.10 1.97 0.02 0.00 0.00 175.26 178.60 2k3x n PHE 8 N -1.08 1.53 -4.13 1.61 -1.74 -1.26 -4.65 117.46 107.74 2k3x n PHE 8 Ca 0.09 0.59 -0.14 0.00 -0.56 0.00 0.00 57.45 57.43 2k3x n PHE 8 Cb 0.52 -2.29 -0.11 0.00 1.52 0.00 0.00 39.48 39.12 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 -1.17 0.90 -1.10 1.98 0.00 -1.26 -5.00 121.76 116.11 2k3x s ALA 9 Ca 0.60 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.33 2k3x s ALA 9 Cb -0.59 0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.56 2k3x s ALA 9 CO 0.59 -0.02 1.73 -0.51 0.00 0.00 0.00 175.76 177.55 2k3x s LEU 10 N -2.06 3.44 0.00 0.00 2.01 -1.26 -0.96 118.68 119.85 2k3x s LEU 10 Ca -0.01 -1.60 0.00 0.00 0.01 0.00 0.00 54.13 52.53 2k3x s LEU 10 Cb -0.06 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.57 2k3x s LEU 10 CO 0.00 -1.97 0.00 0.61 1.01 0.00 0.00 176.35 176.00 2k3x n GLY 11 N 6.27 1.05 3.78 -3.19 0.00 -1.24 -5.02 105.19 106.84 2k3x n GLY 11 Ca 0.41 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2k3x n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3x s GLY 12 N -2.50 1.63 0.73 -0.02 0.00 -0.13 -4.89 107.32 102.15 2k3x s GLY 12 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 44.72 44.57 2k3x s GLY 12 CO 0.00 0.35 1.05 0.50 0.00 0.00 0.00 173.10 175.00 2k3x s ARG 13 N -5.05 2.05 0.37 2.90 0.52 -1.26 -2.30 118.95 116.18 2k3x s ARG 13 Ca 0.61 -0.29 -0.11 0.00 -0.52 0.00 0.00 55.73 55.43 2k3x s ARG 13 Cb -0.16 -2.14 0.04 0.00 0.52 0.00 0.00 34.95 33.22 2k3x s ARG 13 CO 0.55 -1.36 0.68 0.00 0.02 0.00 0.00 175.30 175.20 2k3x s LEU 15 N 0.00 1.32 -0.10 0.00 2.01 0.05 -0.32 118.68 121.63 2k3x s LEU 15 Ca 0.19 0.00 -0.00 0.00 0.01 0.00 0.00 54.13 54.33 2k3x s LEU 15 Cb -0.04 -0.12 0.02 0.00 0.01 0.00 0.00 46.19 46.07 2k3x s LEU 15 CO 0.14 -0.09 -0.07 0.00 1.01 0.00 0.00 176.35 177.34 2k3x s ALA 16 N 0.80 1.26 0.54 4.21 0.00 -0.30 -1.14 121.76 127.12 2k3x s ALA 16 Ca -0.07 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 2k3x s ALA 16 Cb -0.10 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 2k3x s ALA 16 CO -0.02 -0.37 1.04 -0.06 0.00 0.00 0.00 175.76 176.35 2k3x s PHE 17 N 1.63 3.08 0.00 0.00 0.08 -0.12 -1.45 117.98 121.19 2k3x s PHE 17 Ca 0.03 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.61 2k3x s PHE 17 Cb -0.13 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 2k3x s PHE 17 CO -0.07 -0.87 0.00 0.72 -0.10 0.00 0.00 175.22 174.90 2k3x n HIS 18 N -1.56 0.00 0.00 0.36 8.25 -0.25 -4.82 115.22 117.21 2k3x n HIS 18 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2k3x n HIS 18 Cb 0.53 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 2.83 1.46 0.29 -1.41 0.00 -1.26 -4.91 105.19 102.19 2k3x n GLY 19 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.70 0.00 1.61 0.11 -2.03 -3.46 132.00 128.92 2k3x h PRO 20 Ca 0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2k3x h PRO 20 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2k3x h PRO 20 CO 0.00 0.46 -0.02 -0.11 -0.21 0.00 0.00 178.00 178.12 2k3x n LEU 21 N -4.79 0.00 -4.40 2.35 7.94 -1.26 -4.98 117.00 111.87 2k3x n LEU 21 Ca 0.12 -0.49 -0.27 0.00 -1.11 0.00 0.00 56.01 54.26 2k3x n LEU 21 Cb 0.26 0.47 -0.12 0.00 0.53 0.00 0.00 43.42 44.55 2k3x n LEU 21 CO 0.27 -0.12 -0.54 -0.32 -1.11 0.00 0.00 177.39 175.57 2k3x s MET 22 N -2.13 1.43 0.05 1.96 -2.45 -1.26 -1.09 119.30 115.82 2k3x s MET 22 Ca 0.05 -1.44 0.04 0.00 -1.25 0.00 0.00 55.69 53.09 2k3x s MET 22 Cb -0.00 -1.77 -0.03 0.00 1.25 0.00 0.00 34.83 34.28 2k3x s MET 22 CO 0.03 0.39 -0.12 0.71 1.05 0.00 0.00 175.02 177.08 2k3x s TYR 23 N -1.52 1.06 0.61 4.11 2.02 -0.53 -4.96 117.35 118.14 2k3x s TYR 23 Ca 0.17 -0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 56.26 2k3x s TYR 23 Cb -0.08 -0.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 2k3x s TYR 23 CO 0.08 0.02 1.26 -1.21 -1.57 0.00 0.00 175.55 174.13 2k3x s GLU 24 N -1.50 2.85 0.23 -0.62 2.02 -1.26 -1.15 118.70 119.26 2k3x s GLU 24 Ca -0.03 1.97 0.05 0.00 0.02 0.00 0.00 54.97 56.98 2k3x s GLU 24 Cb -0.09 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 2k3x s GLU 24 CO 0.01 -1.34 -0.04 0.00 0.02 0.00 0.00 175.26 173.91 2k3x s ALA 25 N -1.48 1.90 -0.28 5.21 0.00 0.56 -0.79 121.76 126.90 2k3x s ALA 25 Ca 0.79 -1.76 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 2k3x s ALA 25 Cb -0.34 0.32 0.14 0.00 0.00 0.00 0.00 23.12 23.24 2k3x s ALA 25 CO 0.37 -0.17 0.34 0.21 0.00 0.00 0.00 175.76 176.52 2k3x s LYS 26 N -3.80 0.35 0.29 0.00 2.20 -0.52 -1.18 119.74 117.07 2k3x s LYS 26 Ca 0.27 0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2k3x s LYS 26 Cb 0.04 -0.55 -0.11 0.00 -1.51 0.00 0.00 37.83 35.70 2k3x s LYS 26 CO 0.08 -0.94 1.52 0.42 -0.36 0.00 0.00 175.35 176.07 2k3x s ILE 27 N 2.45 2.29 0.19 5.43 1.01 -0.97 -1.54 121.20 130.06 2k3x s ILE 27 Ca 0.10 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.00 2k3x s ILE 27 Cb -0.14 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2k3x s ILE 27 CO -0.28 0.04 0.00 -0.11 0.00 0.00 0.00 174.94 174.60 2k3x n LEU 28 N 1.99 0.44 -4.86 2.97 0.00 -0.33 -3.68 117.00 113.54 2k3x n LEU 28 Ca 0.07 0.31 -0.37 0.00 0.00 0.00 0.00 56.01 56.01 2k3x n LEU 28 Cb 0.39 0.04 -0.06 0.00 0.00 0.00 0.00 43.42 43.79 2k3x n LEU 28 CO 0.62 -0.77 -0.15 -0.75 0.00 0.00 0.00 177.39 176.35 2k3x s LYS 29 N -1.95 3.58 0.24 1.96 2.20 -1.16 -4.01 119.74 120.59 2k3x s LYS 29 Ca 0.00 -0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.58 2k3x s LYS 29 Cb 0.00 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 2k3x s LYS 29 CO 0.00 0.71 -0.07 0.96 -0.36 0.00 0.00 175.35 176.58 2k3x s ILE 30 N -0.85 1.50 -0.02 5.43 -0.00 0.19 -0.41 121.20 127.04 2k3x s ILE 30 Ca 0.15 -2.12 -0.09 0.00 -0.00 0.00 0.00 60.65 58.59 2k3x s ILE 30 Cb -0.12 -2.26 0.01 0.00 -0.00 0.00 0.00 42.46 40.09 2k3x s ILE 30 CO 0.04 -0.43 0.19 0.86 -0.00 0.00 0.00 174.94 175.60 2k3x s TRP 31 N -3.11 -0.06 -0.07 1.37 -0.11 -0.14 -0.28 118.94 116.54 2k3x s TRP 31 Ca 0.26 0.09 -0.03 0.00 1.22 0.00 0.00 56.10 57.64 2k3x s TRP 31 Cb 0.03 0.01 0.04 0.00 -1.50 0.00 0.00 33.47 32.05 2k3x s TRP 31 CO 0.09 -0.28 0.14 0.34 -4.62 0.00 0.00 176.95 172.62 2k3x s ASP 32 N -1.10 0.59 0.00 5.86 -1.08 -1.17 -1.32 116.67 118.45 2k3x s ASP 32 Ca -0.12 0.29 0.14 0.00 -0.52 0.00 0.00 52.55 52.34 2k3x s ASP 32 Cb -0.06 0.20 0.58 0.00 -1.46 0.00 0.00 42.92 42.18 2k3x s ASP 32 CO 0.02 -0.22 1.44 -0.81 0.52 0.00 0.00 175.17 176.11 2k3x n PRO 33 N 5.05 0.00 -0.19 4.34 -0.04 -1.26 -0.87 135.00 142.04 2k3x n PRO 33 Ca -0.10 0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2k3x n PRO 33 Cb 0.50 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2k3x n PRO 33 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k3x h SER 34 N 0.00 0.87 0.75 3.54 0.87 -1.95 -3.06 113.55 114.57 2k3x h SER 34 Ca 0.00 -0.28 -0.18 0.00 -1.23 0.00 0.00 61.79 60.10 2k3x h SER 34 Cb 0.23 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2k3x h SER 34 CO 0.00 0.93 -1.37 0.28 -0.53 0.00 0.00 176.83 176.14 2k3x h SER 35 N 0.78 0.00 -6.38 6.23 0.02 -1.94 -3.48 113.55 108.78 2k3x h SER 35 Ca 0.16 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.62 2k3x h SER 35 Cb 0.45 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 2k3x h SER 35 CO 0.02 0.66 -0.78 1.17 -1.14 0.00 0.00 176.83 176.76 2k3x n LYS 36 N -2.96 -5.05 -4.14 3.45 4.81 -0.05 -4.98 118.16 109.25 2k3x n LYS 36 Ca -0.09 0.55 -0.14 0.00 -0.87 0.00 0.00 58.31 57.76 2k3x n LYS 36 Cb 0.87 -5.39 -0.07 0.00 0.02 0.00 0.00 35.03 30.46 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2k3x s MET 37 N -6.66 1.61 0.00 1.64 -1.94 -1.25 -4.93 119.30 107.78 2k3x s MET 37 Ca 0.65 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 2k3x s MET 37 Cb -0.33 0.38 0.00 0.00 2.01 0.00 0.00 34.83 36.89 2k3x s MET 37 CO 0.85 -0.63 0.00 2.48 -0.01 0.00 0.00 175.02 177.71 2k3x n TYR 38 N -0.46 -1.06 -3.61 -0.03 4.11 -1.26 -3.02 117.16 111.83 2k3x n TYR 38 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.87 2k3x n TYR 38 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.93 2k3x n TYR 38 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2k3x s THR 39 N 1.02 0.00 0.26 -3.48 -4.23 0.62 -3.39 115.64 106.44 2k3x s THR 39 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.32 2k3x s THR 39 Cb 0.00 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.86 2k3x s THR 39 CO 0.00 0.00 0.63 -0.55 -0.54 0.00 0.00 174.62 174.16 2k3x s SER 40 N -1.20 -0.23 0.05 3.99 0.15 -1.18 -0.64 113.70 114.64 2k3x s SER 40 Ca 0.05 -0.65 0.05 0.00 0.70 0.00 0.00 55.95 56.10 2k3x s SER 40 Cb -0.01 0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 2k3x s SER 40 CO -0.04 -1.24 -0.14 0.27 1.20 0.00 0.00 173.24 173.28 2k3x s ILE 41 N -3.93 1.13 -1.57 6.45 -5.25 -1.26 -1.39 121.20 115.39 2k3x s ILE 41 Ca 0.13 -1.08 0.29 0.00 -0.99 0.00 0.00 60.65 59.00 2k3x s ILE 41 Cb -0.04 -1.04 0.43 0.00 2.95 0.00 0.00 42.46 44.76 2k3x s ILE 41 CO 0.06 -0.04 1.86 -0.81 -1.79 0.00 0.00 174.94 174.21 2k3x n PRO 42 N 1.76 0.60 0.00 0.37 -0.04 -1.22 -3.94 135.00 132.52 2k3x n PRO 42 Ca -0.19 -0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.13 2k3x n PRO 42 Cb 0.54 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.03 0.00 -4.15 3.54 5.15 -1.26 -4.63 115.26 112.88 2k3x n ASN 43 Ca 0.14 -0.07 -0.10 0.00 -0.60 0.00 0.00 54.58 53.95 2k3x n ASN 43 Cb 0.28 -0.16 -0.10 0.00 -0.53 0.00 0.00 39.78 39.27 2k3x n ASN 43 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k3x s ASP 44 N -2.31 0.27 0.09 1.20 2.15 -1.25 -5.07 116.67 111.74 2k3x s ASP 44 Ca 0.12 -1.23 0.08 0.00 0.43 0.00 0.00 52.55 51.95 2k3x s ASP 44 Cb 0.07 0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.98 2k3x s ASP 44 CO 0.14 -0.76 -0.20 -0.54 -0.17 0.00 0.00 175.17 173.64 2k3x s LYS 45 N -4.07 1.12 0.00 4.34 1.02 -1.26 -3.85 119.74 117.03 2k3x s LYS 45 Ca 0.27 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.15 2k3x s LYS 45 Cb 0.07 -1.34 0.00 0.00 -0.52 0.00 0.00 37.83 36.04 2k3x s LYS 45 CO 0.04 0.31 0.00 -0.35 -0.92 0.00 0.00 175.35 174.43 2k3x n PRO 46 N 1.20 -0.81 0.00 -1.68 -0.04 -1.26 -4.88 135.00 127.53 2k3x n PRO 46 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2k3x n PRO 46 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 2k3x n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k3x n GLY 47 N 2.60 0.54 0.00 0.55 0.00 -1.26 -4.80 105.19 102.82 2k3x n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3x n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3x n GLY 48 N 0.18 1.05 1.27 -0.02 0.00 -1.26 -4.86 105.19 101.56 2k3x n GLY 48 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.18 2k3x n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3x n SER 49 N 0.00 -7.52 0.12 1.61 7.64 -1.26 -4.68 113.62 109.53 2k3x n SER 49 Ca 0.00 0.51 -0.06 0.00 1.01 0.00 0.00 58.87 60.33 2k3x n SER 49 Cb 0.00 -3.90 -0.03 0.00 -1.01 0.00 0.00 64.21 59.27 2k3x n SER 49 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2k3x h SER 50 N -1.18 -0.33 -5.06 6.43 4.64 -2.03 -3.49 113.55 112.54 2k3x h SER 50 Ca 0.02 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.48 2k3x h SER 50 Cb 1.29 0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 63.37 2k3x h SER 50 CO 0.01 0.06 0.42 -1.58 -0.87 0.00 0.00 176.83 174.87 2k3x s GLN 51 N -2.82 1.19 -1.28 4.77 0.74 -1.26 -5.02 119.66 115.98 2k3x s GLN 51 Ca -0.06 -0.59 -0.09 0.00 0.05 0.00 0.00 55.36 54.68 2k3x s GLN 51 Cb 0.01 0.45 -0.11 0.00 1.10 0.00 0.00 33.01 34.45 2k3x s GLN 51 CO 0.17 -0.54 2.93 0.00 -0.55 0.00 0.00 175.29 177.31 2k3x n ALA 52 N -0.40 6.97 -0.33 1.58 0.00 -1.25 -4.92 120.51 122.16 2k3x n ALA 52 Ca -0.08 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.32 2k3x n ALA 52 Cb 0.61 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 3.49 0.00 -4.00 0.00 -1.04 -1.26 -3.44 114.28 108.03 2k3x n THR 53 Ca 0.68 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.56 2k3x n THR 53 Cb 0.32 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.81 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 0.81 -1.55 -2.82 4.81 -1.26 -4.80 118.16 113.35 2k3x n LYS 54 Ca 0.00 -2.68 -0.46 0.00 -0.87 0.00 0.00 58.31 54.31 2k3x n LYS 54 Cb 0.00 2.72 -0.04 0.00 0.02 0.00 0.00 35.03 37.73 2k3x n LYS 54 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k3x n GLU 55 N -0.57 1.67 -3.15 1.64 4.71 -1.26 -4.08 120.64 119.59 2k3x n GLU 55 Ca -0.02 0.46 -0.39 0.00 -0.01 0.00 0.00 57.16 57.20 2k3x n GLU 55 Cb 0.59 -2.97 -0.05 0.00 -1.01 0.00 0.00 31.44 28.00 2k3x n GLU 55 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2k3x s ILE 56 N 7.94 5.10 0.47 -3.67 1.01 -0.48 -4.97 121.20 126.60 2k3x s ILE 56 Ca 1.04 1.24 -0.14 0.00 0.00 0.00 0.00 60.65 62.79 2k3x s ILE 56 Cb -0.52 -3.95 -0.07 0.00 0.01 0.00 0.00 42.46 37.94 2k3x s ILE 56 CO 0.40 0.26 0.90 -0.54 0.00 0.00 0.00 174.94 175.96 2k3x s LYS 57 N 0.85 3.85 0.09 2.79 3.01 -1.26 -3.13 119.74 125.94 2k3x s LYS 57 Ca 0.32 0.73 -0.34 0.00 -1.01 0.00 0.00 55.97 55.67 2k3x s LYS 57 Cb -0.17 -2.24 -0.13 0.00 -1.01 0.00 0.00 37.83 34.28 2k3x s LYS 57 CO 0.14 -0.19 1.65 -2.30 0.51 0.00 0.00 175.35 175.16 2k3x n PRO 58 N -1.53 2.09 -3.86 -1.68 -0.02 -1.22 -4.67 135.00 124.11 2k3x n PRO 58 Ca 0.05 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 2k3x n PRO 58 Cb 0.54 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 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 1.76 0.70 0.44 -0.52 2.00 -1.26 -4.97 119.66 117.81 2k3x s GLN 59 Ca 0.83 -0.70 -0.23 0.00 -2.00 0.00 0.00 55.36 53.26 2k3x s GLN 59 Cb -0.70 0.29 -0.11 0.00 0.80 0.00 0.00 33.01 33.29 2k3x s GLN 59 CO 0.42 -0.20 0.84 1.63 -0.50 0.00 0.00 175.29 177.48 2k3x n LYS 60 N 0.57 1.03 -3.76 1.67 5.02 -1.26 -4.12 118.16 117.31 2k3x n LYS 60 Ca -0.18 0.37 -0.22 0.00 -2.02 0.00 0.00 58.31 56.26 2k3x n LYS 60 Cb 0.59 -1.86 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 2k3x n LYS 60 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k3x s LEU 61 N 0.14 3.26 0.00 -0.35 0.20 -1.26 -5.03 118.68 115.64 2k3x s LEU 61 Ca 0.64 -0.88 0.00 0.00 0.69 0.00 0.00 54.13 54.58 2k3x s LEU 61 Cb -0.56 -1.80 0.00 0.00 -0.43 0.00 0.00 46.19 43.39 2k3x s LEU 61 CO 0.56 -0.65 0.00 0.61 -0.29 0.00 0.00 176.35 176.58 2k3x n GLY 62 N -1.47 1.06 0.00 7.98 0.00 -1.26 -5.07 105.19 106.43 2k3x n GLY 62 Ca 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2k3x n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k3x n GLU 63 N 0.00 0.00 -0.16 1.61 1.02 -1.26 -4.74 120.64 117.11 2k3x n GLU 63 Ca 0.00 -0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.17 2k3x n GLU 63 Cb 0.00 -0.35 0.06 0.00 -0.02 0.00 0.00 31.44 31.13 2k3x n GLU 63 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k3x n ASP 64 N 0.00 1.39 -0.92 1.62 2.03 -1.26 -4.61 116.55 114.80 2k3x n ASP 64 Ca 0.00 -2.36 -0.01 0.00 0.52 0.00 0.00 54.79 52.94 2k3x n ASP 64 Cb 0.26 -0.24 -0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2k3x n ASP 64 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k3x n GLU 65 N -0.72 0.00 -2.11 -0.67 2.13 -1.26 -5.11 120.64 112.90 2k3x n GLU 65 Ca 0.07 -1.06 -0.43 0.00 0.66 0.00 0.00 57.16 56.40 2k3x n GLU 65 Cb 0.57 0.02 -0.03 0.00 0.27 0.00 0.00 31.44 32.28 2k3x n GLU 65 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k3x s SER 66 N -1.06 6.53 0.13 4.31 0.01 -1.26 -4.88 113.70 117.48 2k3x s SER 66 Ca 0.10 1.83 -0.31 0.00 1.31 0.00 0.00 55.95 58.87 2k3x s SER 66 Cb 0.11 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.72 2k3x s SER 66 CO -0.05 -1.10 1.44 0.27 0.41 0.00 0.00 173.24 174.21 2k3x s ILE 67 N 4.67 3.09 0.49 1.44 -0.00 -1.26 -5.03 121.20 124.60 2k3x s ILE 67 Ca 0.70 0.78 -0.19 0.00 -0.00 0.00 0.00 60.65 61.95 2k3x s ILE 67 Cb -0.27 -3.50 -0.08 0.00 -0.00 0.00 0.00 42.46 38.60 2k3x s ILE 67 CO 0.28 0.06 1.01 -2.16 -0.00 0.00 0.00 174.94 174.13 2k3x s PRO 68 N 1.10 3.85 0.59 0.37 0.04 -1.26 -4.92 135.00 134.77 2k3x s PRO 68 Ca 0.66 1.21 0.29 0.00 0.04 0.00 0.00 61.00 63.19 2k3x s PRO 68 Cb -0.39 -2.11 1.59 0.00 0.04 0.00 0.00 34.50 33.62 2k3x s PRO 68 CO 0.31 -0.37 2.02 0.93 0.04 0.00 0.00 177.00 179.93 2k3x h GLU 69 N 1.35 0.00 -0.84 4.56 3.07 -1.99 -1.47 114.58 119.27 2k3x h GLU 69 Ca -0.48 0.00 0.20 0.00 -0.50 0.00 0.00 59.36 58.57 2k3x h GLU 69 Cb 1.20 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.06 2k3x h GLU 69 CO 0.60 0.00 0.56 1.49 -1.40 0.00 0.00 179.01 180.26 2k3x h GLU 70 N 0.00 0.30 0.00 2.33 4.57 -2.03 -2.99 114.58 116.76 2k3x h GLU 70 Ca 0.13 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 2k3x h GLU 70 Cb 0.75 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2k3x h GLU 70 CO -0.00 0.20 -1.42 0.44 -1.18 0.00 0.00 179.01 177.05 2k3x n ILE 71 N -4.45 0.13 -0.23 2.32 -5.35 -0.57 -4.76 119.36 106.44 2k3x n ILE 71 Ca 0.17 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2k3x n ILE 71 Cb 0.69 0.05 0.12 0.00 -1.74 0.00 0.00 39.64 38.76 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 0.83 0.00 7.28 2.04 -1.34 -0.99 117.51 125.33 2k3x h ILE 72 Ca -0.05 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2k3x h ILE 72 Cb 0.64 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2k3x h ILE 72 CO 0.00 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.84 2k3x n ASN 73 N -4.91 0.00 -2.64 1.72 3.02 -1.25 -3.87 115.26 107.34 2k3x n ASN 73 Ca 0.10 -0.88 -0.07 0.00 -0.03 0.00 0.00 54.58 53.69 2k3x n ASN 73 Cb 0.26 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.46 2k3x n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k3x n GLY 74 N 0.83 2.86 1.43 7.41 0.00 -0.38 -4.94 105.19 112.41 2k3x n GLY 74 Ca 0.22 -1.49 0.17 0.00 0.00 0.00 0.00 46.02 44.92 2k3x n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3x n LYS 75 N -0.55 -3.23 -3.99 1.61 4.76 -1.25 -2.10 118.16 113.42 2k3x n LYS 75 Ca 0.16 2.64 -0.10 0.00 -2.87 0.00 0.00 58.31 58.14 2k3x n LYS 75 Cb 0.83 -3.80 -0.12 0.00 -1.84 0.00 0.00 35.03 30.10 2k3x n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k3x s PHE 77 N -1.22 1.13 -0.23 0.00 0.08 -0.25 -0.97 117.98 116.52 2k3x s PHE 77 Ca -0.12 -1.40 -0.29 0.00 0.12 0.00 0.00 56.93 55.24 2k3x s PHE 77 Cb -0.09 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 2k3x s PHE 77 CO -0.01 -0.86 1.78 0.12 -0.10 0.00 0.00 175.22 176.16 2k3x s PHE 78 N 1.78 1.82 0.06 0.36 5.36 0.45 -1.55 117.98 126.26 2k3x s PHE 78 Ca 0.10 0.49 0.07 0.00 -0.96 0.00 0.00 56.93 56.62 2k3x s PHE 78 Cb -0.17 -4.05 -0.03 0.00 -0.34 0.00 0.00 43.02 38.44 2k3x s PHE 78 CO -0.29 -3.31 -0.19 0.96 -1.46 0.00 0.00 175.22 170.92 2k3x s ILE 79 N 6.09 1.56 -0.30 3.12 -4.36 -0.23 -1.18 121.20 125.90 2k3x s ILE 79 Ca 0.79 -1.27 -0.25 0.00 -0.26 0.00 0.00 60.65 59.66 2k3x s ILE 79 Cb -0.27 -1.39 0.01 0.00 1.25 0.00 0.00 42.46 42.06 2k3x s ILE 79 CO 0.32 0.07 0.89 -2.28 0.24 0.00 0.00 174.94 174.18 2k3x s HIS 80 N -0.94 3.21 -0.62 1.37 5.65 -0.59 -2.33 115.29 121.04 2k3x s HIS 80 Ca 0.06 1.00 -0.27 0.00 0.25 0.00 0.00 55.06 56.10 2k3x s HIS 80 Cb -0.09 -3.33 0.01 0.00 -1.18 0.00 0.00 32.58 27.99 2k3x s HIS 80 CO 0.02 -0.59 1.51 0.71 -0.65 0.00 0.00 174.74 175.74 2k3x s TYR 81 N 3.15 2.10 0.56 3.88 2.02 -1.25 -1.44 117.35 126.36 2k3x s TYR 81 Ca 0.37 0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 57.31 2k3x s TYR 81 Cb -0.14 -4.37 -0.05 0.00 -0.40 0.00 0.00 41.96 37.00 2k3x s TYR 81 CO 0.12 -2.13 1.05 -0.65 -1.57 0.00 0.00 175.55 172.38 2k3x s GLN 82 N 6.01 3.46 0.00 -0.62 -0.21 0.03 -2.52 119.66 125.81 2k3x s GLN 82 Ca 0.52 1.24 0.00 0.00 0.02 0.00 0.00 55.36 57.14 2k3x s GLN 82 Cb -0.11 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.85 2k3x s GLN 82 CO 0.21 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 2k3x n GLY 83 N -0.80 0.56 3.35 3.09 0.00 -1.26 -4.16 105.19 105.97 2k3x n GLY 83 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.63 1.63 0.38 1.61 0.52 -1.05 -5.12 118.94 114.29 2k3x s TRP 84 Ca 0.00 -1.11 -0.28 0.00 0.02 0.00 0.00 56.10 54.73 2k3x s TRP 84 Cb 0.00 -0.99 -0.11 0.00 -1.15 0.00 0.00 33.47 31.22 2k3x s TRP 84 CO 0.00 -0.23 1.50 0.15 0.02 0.00 0.00 176.95 178.39 2k3x s LYS 85 N -3.99 4.08 0.24 4.98 -0.14 -1.26 -4.87 119.74 118.78 2k3x s LYS 85 Ca 0.37 2.59 0.14 0.00 -1.36 0.00 0.00 55.97 57.71 2k3x s LYS 85 Cb 0.08 -2.95 0.78 0.00 -1.68 0.00 0.00 37.83 34.06 2k3x s LYS 85 CO 0.14 -0.57 1.41 0.43 -0.76 0.00 0.00 175.35 176.00 2k3x n SER 86 N 0.41 0.37 0.24 2.83 7.64 -1.26 -0.95 113.62 122.90 2k3x n SER 86 Ca 0.01 0.64 0.16 0.00 1.01 0.00 0.00 58.87 60.69 2k3x n SER 86 Cb 0.39 -0.67 0.84 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.04 6.43 0.02 -1.94 -1.66 113.55 116.36 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 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 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 -3.89 0.10 -1.86 3.45 7.02 -0.13 -4.75 117.44 117.39 2k3x n TRP 88 Ca -0.00 -0.04 -0.34 0.00 -1.02 0.00 0.00 57.50 56.10 2k3x n TRP 88 Cb 0.23 -0.08 -0.04 0.00 -2.42 0.00 0.00 31.31 29.00 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 -0.37 4.88 -0.01 -0.99 1.11 -0.63 -3.88 116.67 116.78 2k3x s ASP 89 Ca 0.03 0.37 -0.08 0.00 0.18 0.00 0.00 52.55 53.05 2k3x s ASP 89 Cb 0.02 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.49 2k3x s ASP 89 CO 0.01 -2.72 0.17 -0.70 1.18 0.00 0.00 175.17 173.11 2k3x s GLU 90 N 7.57 0.48 0.45 8.23 2.56 -0.98 -4.91 118.70 132.09 2k3x s GLU 90 Ca 0.79 -0.28 -0.20 0.00 0.00 0.00 0.00 54.97 55.27 2k3x s GLU 90 Cb -0.13 0.20 -0.10 0.00 2.00 0.00 0.00 34.13 36.10 2k3x s GLU 90 CO 0.18 -0.11 0.96 -1.58 -0.56 0.00 0.00 175.26 174.15 2k3x s TRP 91 N -1.17 3.30 0.14 5.30 0.52 -1.26 -1.07 118.94 124.70 2k3x s TRP 91 Ca -0.13 1.59 0.04 0.00 0.02 0.00 0.00 56.10 57.62 2k3x s TRP 91 Cb -0.06 -2.86 -0.04 0.00 -1.15 0.00 0.00 33.47 29.35 2k3x s TRP 91 CO 0.02 -0.22 -0.09 0.14 0.02 0.00 0.00 176.95 176.81 2k3x s VAL 92 N -2.23 1.06 0.43 4.03 -7.23 -0.60 -4.90 120.40 110.96 2k3x s VAL 92 Ca 0.62 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.84 2k3x s VAL 92 Cb -0.10 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 35.03 2k3x s VAL 92 CO 0.16 -0.76 0.56 -0.83 -0.31 0.00 0.00 175.10 173.92 2k3x s GLY 93 N -3.14 1.96 0.60 2.32 0.00 -1.26 -1.09 107.32 106.70 2k3x s GLY 93 Ca 0.16 -1.71 0.38 0.00 0.00 0.00 0.00 44.72 43.55 2k3x s GLY 93 CO -0.00 -1.52 2.17 -1.82 0.00 0.00 0.00 173.10 171.93 2k3x h TYR 94 N 0.66 0.00 -0.76 1.90 5.03 -1.59 -0.67 116.97 121.54 2k3x h TYR 94 Ca -0.40 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.08 2k3x h TYR 94 Cb 1.28 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.51 2k3x h TYR 94 CO 0.41 0.02 0.51 0.22 -1.32 0.00 0.00 178.16 178.00 2k3x h ASP 95 N 0.00 0.31 0.00 -2.11 3.58 -1.95 -3.17 116.42 113.08 2k3x h ASP 95 Ca -0.00 0.02 -0.31 0.00 0.42 0.00 0.00 57.03 57.16 2k3x h ASP 95 Cb 0.26 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.22 2k3x h ASP 95 CO 0.00 0.15 -2.18 0.54 -2.88 0.00 0.00 179.24 174.87 2k3x n ARG 96 N -4.45 0.67 -4.07 0.28 1.74 -0.37 -4.93 116.66 105.53 2k3x n ARG 96 Ca 0.15 0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 57.09 2k3x n ARG 96 Cb 0.60 -1.42 -0.04 0.00 -1.02 0.00 0.00 32.46 30.58 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k3x s ILE 97 N -2.42 4.66 0.05 0.55 2.07 -0.56 -0.95 121.20 124.61 2k3x s ILE 97 Ca -0.25 -1.18 -0.06 0.00 -1.41 0.00 0.00 60.65 57.75 2k3x s ILE 97 Cb 0.07 -3.47 -0.01 0.00 0.13 0.00 0.00 42.46 39.18 2k3x s ILE 97 CO 0.52 -0.25 0.11 -0.13 -1.91 0.00 0.00 174.94 173.28 2k3x s ARG 98 N -3.59 0.68 0.91 3.50 3.00 -0.30 -4.58 118.95 118.57 2k3x s ARG 98 Ca 0.33 -0.88 -0.12 0.00 0.00 0.00 0.00 55.73 55.05 2k3x s ARG 98 Cb -0.09 0.27 0.14 0.00 0.00 0.00 0.00 34.95 35.26 2k3x s ARG 98 CO 0.25 -0.18 1.11 0.00 0.00 0.00 0.00 175.30 176.48 2k3x s ALA 99 N -3.20 1.59 -0.28 2.13 0.00 -1.26 -0.77 121.76 119.96 2k3x s ALA 99 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 2k3x s ALA 99 Cb 0.02 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2k3x s ALA 99 CO -0.07 -2.35 1.52 -0.47 0.00 0.00 0.00 175.76 174.38 2k3x s TYR 100 N -3.11 2.28 0.30 0.00 5.04 0.62 -4.61 117.35 117.87 2k3x s TYR 100 Ca 0.64 0.66 -0.20 0.00 -2.44 0.00 0.00 57.07 55.73 2k3x s TYR 100 Cb -0.16 -4.02 0.04 0.00 0.35 0.00 0.00 41.96 38.17 2k3x s TYR 100 CO 0.55 -2.46 0.78 0.54 -1.34 0.00 0.00 175.55 173.62 2k3x s ASN 101 N 3.95 -0.16 0.36 4.32 2.20 -1.26 -4.57 114.94 119.78 2k3x s ASN 101 Ca 0.66 -0.76 0.05 0.00 -0.94 0.00 0.00 52.86 51.87 2k3x s ASN 101 Cb -0.21 0.74 0.72 0.00 -2.00 0.00 0.00 41.25 40.50 2k3x s ASN 101 CO 0.28 -1.40 1.98 -0.08 -2.94 0.00 0.00 177.10 174.94 2k3x h GLU 102 N 2.00 0.75 -0.08 3.55 4.81 -1.96 -0.00 114.58 123.66 2k3x h GLU 102 Ca -0.24 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 2k3x h GLU 102 Cb 1.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2k3x h GLU 102 CO 0.29 0.50 -0.29 1.49 -0.73 0.00 0.00 179.01 180.27 2k3x h GLU 103 N 0.78 0.14 0.00 1.92 4.81 -1.97 0.16 114.58 120.42 2k3x h GLU 103 Ca 0.28 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2k3x h GLU 103 Cb 0.13 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2k3x h GLU 103 CO -0.08 0.43 -0.64 -0.91 -0.73 0.00 0.00 179.01 177.07 2k3x h ASN 104 N 0.13 0.00 1.06 1.04 2.35 -1.38 -1.43 115.58 117.35 2k3x h ASN 104 Ca 0.02 -0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.54 2k3x h ASN 104 Cb 0.58 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 2k3x h ASN 104 CO 0.04 0.02 -0.95 0.40 -1.65 0.00 0.00 177.43 175.29 2k3x h ILE 105 N 0.00 1.47 -0.32 2.81 5.03 -0.89 0.23 117.51 125.84 2k3x h ILE 105 Ca 0.00 -3.11 -0.09 0.00 -0.12 0.00 0.00 64.86 61.54 2k3x h ILE 105 Cb 0.95 2.72 -0.01 0.00 -3.03 0.00 0.00 36.82 37.45 2k3x h ILE 105 CO 0.00 0.84 -0.15 0.00 -0.68 0.00 0.00 178.15 178.16 2k3x h ALA 106 N 1.11 0.45 -0.59 1.87 0.00 -0.52 0.54 119.26 122.12 2k3x h ALA 106 Ca -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2k3x h ALA 106 Cb 1.70 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2k3x h ALA 106 CO 0.11 0.35 0.25 0.00 0.00 0.00 0.00 179.25 179.96 2k3x h MET 107 N 0.44 0.88 0.45 0.00 -0.00 -1.29 -1.53 114.93 113.88 2k3x h MET 107 Ca 0.07 -0.15 -0.01 0.00 -0.00 0.00 0.00 59.70 59.61 2k3x h MET 107 Cb 0.67 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 32.10 2k3x h MET 107 CO 0.05 0.74 -0.45 -0.22 -0.00 0.00 0.00 176.91 177.03 2k3x h LYS 108 N 0.82 -0.88 -0.49 -0.10 1.63 -0.64 -0.74 116.57 116.16 2k3x h LYS 108 Ca 0.20 0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.98 2k3x h LYS 108 Cb 0.18 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2k3x h LYS 108 CO -0.02 -0.58 -0.02 1.57 -3.45 0.00 0.00 179.45 176.94 2k3x h LYS 109 N -0.91 0.84 -0.75 1.90 2.10 -0.85 0.13 116.57 119.03 2k3x h LYS 109 Ca -0.05 -0.25 -0.04 0.00 -2.00 0.00 0.00 60.65 58.32 2k3x h LYS 109 Cb 0.80 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 32.01 2k3x h LYS 109 CO -0.07 0.86 0.33 -0.09 -2.00 0.00 0.00 179.45 178.48 2k3x h ARG 110 N 0.78 1.09 -0.17 0.07 1.12 -1.14 -2.54 114.38 113.59 2k3x h ARG 110 Ca 0.14 -0.17 -0.13 0.00 -1.11 0.00 0.00 59.98 58.71 2k3x h ARG 110 Cb 0.50 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.27 2k3x h ARG 110 CO 0.03 0.86 -0.40 -0.07 -3.11 0.00 0.00 179.97 177.28 2k3x h LEU 111 N 1.08 0.64 -0.98 3.80 3.38 -0.50 -3.20 115.31 119.53 2k3x h LEU 111 Ca 0.25 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2k3x h LEU 111 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k3x h LEU 111 CO -0.03 1.09 0.00 0.00 0.09 0.00 0.00 178.44 179.60 2k3x n ALA 112 N -2.52 1.14 0.18 1.53 0.00 0.39 -0.28 120.51 120.96 2k3x n ALA 112 Ca -0.06 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.55 2k3x n ALA 112 Cb 0.53 -1.26 0.34 0.00 0.00 0.00 0.00 19.45 19.06 2k3x n ALA 112 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2k3x h ASN 113 N 0.00 0.00 -0.10 0.00 2.35 -1.45 -3.17 115.58 113.21 2k3x h ASN 113 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 2k3x h ASN 113 Cb 0.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2k3x h ASN 113 CO 0.00 0.41 -0.65 0.25 -1.65 0.00 0.00 177.43 175.79 2k3x h LEU 114 N 0.00 0.74 0.00 1.61 6.46 -0.81 -3.53 115.31 119.78 2k3x h LEU 114 Ca -0.00 -0.66 0.00 0.00 -0.12 0.00 0.00 57.88 57.09 2k3x h LEU 114 Cb 0.83 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2k3x h LEU 114 CO 0.05 1.28 0.00 1.21 -0.62 0.00 0.00 178.44 180.37