#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 0.17 0.30 3.17 -7.23 -1.26 -5.03 120.40 110.52 2k3x s VAL 2 Ca 0.00 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 2k3x s VAL 2 Cb 0.00 -2.43 0.28 0.00 0.56 0.00 0.00 36.38 34.79 2k3x s VAL 2 CO 0.00 -0.11 1.89 -0.78 -0.31 0.00 0.00 175.10 175.79 2k3x h ASP 3 N 2.62 0.90 0.33 4.85 3.58 -1.99 0.17 116.42 126.87 2k3x h ASP 3 Ca -0.36 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2k3x h ASP 3 Cb 1.24 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2k3x h ASP 3 CO 0.56 0.55 0.00 0.25 -2.88 0.00 0.00 179.24 177.72 2k3x h LEU 4 N 1.01 0.00 0.00 2.28 5.85 -1.97 -1.26 115.31 121.21 2k3x h LEU 4 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 2k3x h LEU 4 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2k3x h LEU 4 CO -0.18 0.00 -1.06 1.21 -0.34 0.00 0.00 178.44 178.07 2k3x n GLU 5 N -2.50 1.61 0.09 1.25 2.13 -0.06 -4.19 120.64 118.96 2k3x n GLU 5 Ca -0.00 -0.05 -0.14 0.00 0.66 0.00 0.00 57.16 57.62 2k3x n GLU 5 Cb 0.13 -1.23 -0.09 0.00 0.27 0.00 0.00 31.44 30.52 2k3x n GLU 5 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2k3x h GLN 6 N 0.00 0.33 -7.22 5.31 4.15 -0.42 -3.32 115.11 113.94 2k3x h GLN 6 Ca 0.00 -0.44 -0.51 0.00 0.77 0.00 0.00 58.65 58.47 2k3x h GLN 6 Cb 0.46 0.15 0.10 0.00 0.21 0.00 0.00 27.48 28.40 2k3x h GLN 6 CO 0.00 1.15 0.37 -1.21 -1.93 0.00 0.00 178.83 177.21 2k3x s GLU 7 N -2.97 2.76 0.39 1.69 2.02 -0.56 -4.17 118.70 117.87 2k3x s GLU 7 Ca -0.05 1.33 -0.26 0.00 0.02 0.00 0.00 54.97 56.01 2k3x s GLU 7 Cb 0.08 -1.95 -0.11 0.00 0.10 0.00 0.00 34.13 32.25 2k3x s GLU 7 CO 0.87 -1.27 1.28 1.97 0.02 0.00 0.00 175.26 178.13 2k3x n PHE 8 N -2.58 2.19 -4.17 1.61 -1.74 -1.26 -4.65 117.46 106.86 2k3x n PHE 8 Ca 0.10 0.52 -0.16 0.00 -0.56 0.00 0.00 57.45 57.34 2k3x n PHE 8 Cb 0.52 -2.39 -0.12 0.00 1.52 0.00 0.00 39.48 39.01 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 -1.16 0.81 -0.64 1.98 0.00 -1.26 -4.94 121.76 116.54 2k3x s ALA 9 Ca 0.59 -0.73 -0.26 0.00 0.00 0.00 0.00 51.96 51.55 2k3x s ALA 9 Cb -0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2k3x s ALA 9 CO 0.60 0.09 1.80 -0.51 0.00 0.00 0.00 175.76 177.74 2k3x s LEU 10 N -1.26 3.27 0.00 0.00 1.43 -1.26 -0.91 118.68 119.95 2k3x s LEU 10 Ca -0.04 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2k3x s LEU 10 Cb -0.08 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2k3x s LEU 10 CO 0.01 -2.33 0.00 0.61 0.23 0.00 0.00 176.35 174.87 2k3x n GLY 11 N 5.72 0.62 3.78 -3.19 0.00 -1.23 -5.07 105.19 105.82 2k3x n GLY 11 Ca 0.19 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.74 1.64 0.74 -0.02 0.00 -0.09 -4.84 107.32 102.00 2k3x s GLY 12 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.59 2k3x s GLY 12 CO 0.00 0.38 1.11 0.50 0.00 0.00 0.00 173.10 175.09 2k3x s ARG 13 N -5.02 2.43 0.36 2.90 0.52 -1.26 -2.25 118.95 116.62 2k3x s ARG 13 Ca 0.61 0.21 -0.09 0.00 -0.52 0.00 0.00 55.73 55.95 2k3x s ARG 13 Cb -0.16 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.31 2k3x s ARG 13 CO 0.55 -1.26 0.62 0.00 0.02 0.00 0.00 175.30 175.23 2k3x s LEU 15 N -3.16 -0.36 -0.17 0.00 1.43 0.16 -0.28 118.68 116.29 2k3x s LEU 15 Ca 0.23 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2k3x s LEU 15 Cb -0.03 0.80 0.02 0.00 0.03 0.00 0.00 46.19 47.02 2k3x s LEU 15 CO 0.16 -0.25 -0.19 0.00 0.23 0.00 0.00 176.35 176.29 2k3x s ALA 16 N 2.45 2.27 -0.16 4.21 0.00 -0.43 -1.31 121.76 128.78 2k3x s ALA 16 Ca 0.02 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 2k3x s ALA 16 Cb -0.13 -1.15 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 2k3x s ALA 16 CO -0.10 -0.32 0.99 0.12 0.00 0.00 0.00 175.76 176.44 2k3x s PHE 17 N 1.27 3.43 -0.20 0.00 2.19 0.01 -1.35 117.98 123.33 2k3x s PHE 17 Ca 0.04 1.49 -0.21 0.00 0.33 0.00 0.00 56.93 58.58 2k3x s PHE 17 Cb -0.13 -3.19 -0.18 0.00 -1.31 0.00 0.00 43.02 38.21 2k3x s PHE 17 CO -0.12 -0.33 0.19 0.45 1.83 0.00 0.00 175.22 177.24 2k3x h HIS 18 N 7.28 0.00 0.00 10.12 3.86 -1.48 -3.45 115.15 131.48 2k3x h HIS 18 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 2k3x h HIS 18 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2k3x h HIS 18 CO 0.73 1.34 0.00 0.41 0.86 0.00 0.00 177.93 181.26 2k3x n GLY 19 N 1.46 0.01 0.26 2.45 0.00 -1.26 -4.93 105.19 103.17 2k3x n GLY 19 Ca -0.29 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 2k3x n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3x h PRO 20 N 0.00 0.50 0.00 1.61 0.13 -2.03 -3.45 132.00 128.75 2k3x h PRO 20 Ca 0.00 -0.13 -0.22 0.00 -0.87 0.00 0.00 66.00 64.78 2k3x h PRO 20 Cb 0.00 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.02 2k3x h PRO 20 CO 0.00 0.60 -0.15 -0.11 -0.23 0.00 0.00 178.00 178.11 2k3x n LEU 21 N -4.22 0.00 -4.57 1.56 7.94 -1.26 -4.88 117.00 111.57 2k3x n LEU 21 Ca 0.01 -1.95 -0.26 0.00 -1.11 0.00 0.00 56.01 52.70 2k3x n LEU 21 Cb 0.30 1.56 -0.09 0.00 0.53 0.00 0.00 43.42 45.72 2k3x n LEU 21 CO 0.40 -0.42 -0.40 -0.32 -1.11 0.00 0.00 177.39 175.54 2k3x s MET 22 N -2.61 2.06 0.04 1.96 -2.45 -1.26 -1.18 119.30 115.85 2k3x s MET 22 Ca 0.21 -1.34 0.04 0.00 -1.25 0.00 0.00 55.69 53.34 2k3x s MET 22 Cb -0.00 -2.12 -0.02 0.00 1.25 0.00 0.00 34.83 33.94 2k3x s MET 22 CO 0.15 0.41 -0.11 0.71 1.05 0.00 0.00 175.02 177.23 2k3x s TYR 23 N -1.89 0.99 0.34 4.11 2.02 -0.46 -4.91 117.35 117.55 2k3x s TYR 23 Ca 0.26 -0.36 -0.27 0.00 -0.37 0.00 0.00 57.07 56.33 2k3x s TYR 23 Cb -0.08 -0.59 -0.09 0.00 -0.40 0.00 0.00 41.96 40.80 2k3x s TYR 23 CO 0.16 0.00 1.12 -2.00 -1.57 0.00 0.00 175.55 173.26 2k3x s GLU 24 N -1.15 4.36 0.23 -0.62 2.12 -1.26 -1.32 118.70 121.06 2k3x s GLU 24 Ca -0.01 1.77 0.03 0.00 0.36 0.00 0.00 54.97 57.12 2k3x s GLU 24 Cb -0.08 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 2k3x s GLU 24 CO 0.01 -0.03 0.00 0.00 -0.54 0.00 0.00 175.26 174.70 2k3x s ALA 25 N -1.34 1.79 -0.20 6.30 0.00 0.61 -0.76 121.76 128.16 2k3x s ALA 25 Ca 0.51 -1.76 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 2k3x s ALA 25 Cb -0.30 0.52 0.10 0.00 0.00 0.00 0.00 23.12 23.44 2k3x s ALA 25 CO 0.38 -0.26 0.30 0.21 0.00 0.00 0.00 175.76 176.39 2k3x s LYS 26 N -3.87 0.24 0.33 0.00 2.20 -0.43 -1.28 119.74 116.94 2k3x s LYS 26 Ca 0.29 0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 56.13 2k3x s LYS 26 Cb 0.06 -0.54 -0.11 0.00 -1.51 0.00 0.00 37.83 35.73 2k3x s LYS 26 CO 0.09 -0.52 1.43 0.42 -0.36 0.00 0.00 175.35 176.40 2k3x s ILE 27 N 2.45 2.38 0.00 5.43 1.01 -0.95 -1.49 121.20 130.02 2k3x s ILE 27 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2k3x s ILE 27 Cb -0.14 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2k3x s ILE 27 CO -0.12 0.08 0.00 -0.11 0.00 0.00 0.00 174.94 174.79 2k3x n LEU 28 N 1.04 0.00 -4.72 2.97 0.00 -0.40 -3.55 117.00 112.35 2k3x n LEU 28 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 55.66 2k3x n LEU 28 Cb 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.75 2k3x n LEU 28 CO 0.62 -0.38 0.06 -0.54 0.00 0.00 0.00 177.39 177.14 2k3x s LYS 29 N -0.76 4.28 0.32 1.96 1.02 -1.14 -4.30 119.74 121.12 2k3x s LYS 29 Ca 0.00 0.22 0.10 0.00 0.02 0.00 0.00 55.97 56.32 2k3x s LYS 29 Cb 0.00 -3.44 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 2k3x s LYS 29 CO 0.00 0.18 -0.12 0.96 -0.92 0.00 0.00 175.35 175.45 2k3x s ILE 30 N 0.60 2.33 0.02 2.17 -0.00 -0.22 -0.24 121.20 125.87 2k3x s ILE 30 Ca 0.20 -2.26 -0.05 0.00 -0.00 0.00 0.00 60.65 58.55 2k3x s ILE 30 Cb -0.14 -2.55 -0.01 0.00 -0.00 0.00 0.00 42.46 39.76 2k3x s ILE 30 CO 0.06 -0.26 0.08 0.86 -0.00 0.00 0.00 174.94 175.68 2k3x s TRP 31 N -2.57 0.15 -0.21 1.37 -0.11 0.05 -0.71 118.94 116.91 2k3x s TRP 31 Ca 0.32 -0.36 -0.04 0.00 1.22 0.00 0.00 56.10 57.24 2k3x s TRP 31 Cb 0.00 -0.12 0.10 0.00 -1.50 0.00 0.00 33.47 31.96 2k3x s TRP 31 CO 0.16 -0.28 0.30 0.34 -4.62 0.00 0.00 176.95 172.85 2k3x s ASP 32 N -1.64 0.62 0.00 5.86 2.15 -1.19 -1.63 116.67 120.84 2k3x s ASP 32 Ca -0.12 0.19 0.05 0.00 0.43 0.00 0.00 52.55 53.11 2k3x s ASP 32 Cb -0.06 0.80 0.25 0.00 -0.30 0.00 0.00 42.92 43.61 2k3x s ASP 32 CO -0.01 -0.29 1.09 -0.81 -0.17 0.00 0.00 175.17 174.98 2k3x n PRO 33 N 5.35 0.04 0.30 4.34 -0.04 -1.26 -1.77 135.00 141.97 2k3x n PRO 33 Ca -0.05 0.32 0.18 0.00 -0.04 0.00 0.00 63.50 63.91 2k3x n PRO 33 Cb 0.50 -1.50 0.97 0.00 -0.04 0.00 0.00 33.50 33.42 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 -1.94 -3.13 113.55 112.03 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 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2k3x h SER 34 CO 0.00 0.03 -0.10 -1.20 -1.14 0.00 0.00 176.83 174.42 2k3x n SER 35 N -3.40 0.51 -4.08 3.07 7.64 -0.95 -5.03 113.62 111.38 2k3x n SER 35 Ca -0.02 -0.24 -0.28 0.00 1.01 0.00 0.00 58.87 59.33 2k3x n SER 35 Cb 0.14 0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 63.88 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 -0.63 -2.74 -4.16 1.43 5.02 -0.73 -4.99 118.16 111.36 2k3x n LYS 36 Ca 0.00 0.33 -0.16 0.00 -2.02 0.00 0.00 58.31 56.46 2k3x n LYS 36 Cb 0.00 -4.42 -0.06 0.00 -0.02 0.00 0.00 35.03 30.53 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k3x s MET 37 N -6.80 1.75 0.23 1.97 -1.94 -1.25 -4.82 119.30 108.43 2k3x s MET 37 Ca 0.13 -1.80 0.00 0.00 -1.71 0.00 0.00 55.69 52.31 2k3x s MET 37 Cb -0.07 0.38 0.00 0.00 2.01 0.00 0.00 34.83 37.16 2k3x s MET 37 CO 0.92 -0.68 0.03 2.48 -0.01 0.00 0.00 175.02 177.76 2k3x n TYR 38 N -0.54 0.20 -3.79 -0.03 0.18 -1.26 -3.19 117.16 108.74 2k3x n TYR 38 Ca 0.03 -1.08 -0.09 0.00 1.88 0.00 0.00 57.90 58.63 2k3x n TYR 38 Cb 0.62 -0.16 -0.04 0.00 -0.38 0.00 0.00 39.34 39.38 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 -1.68 0.03 0.30 -3.48 -4.23 0.11 -3.64 115.64 103.04 2k3x s THR 39 Ca 0.03 -0.91 -0.20 0.00 -1.18 0.00 0.00 61.69 59.43 2k3x s THR 39 Cb -0.00 -1.65 0.04 0.00 1.34 0.00 0.00 72.50 72.23 2k3x s THR 39 CO 0.02 -0.14 0.78 -0.55 -0.54 0.00 0.00 174.62 174.18 2k3x s SER 40 N -2.89 -0.15 0.04 3.99 0.15 -1.26 -1.06 113.70 112.52 2k3x s SER 40 Ca 0.11 -0.78 -0.06 0.00 0.70 0.00 0.00 55.95 55.92 2k3x s SER 40 Cb -0.00 0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 65.04 2k3x s SER 40 CO -0.02 -1.42 0.10 0.27 1.20 0.00 0.00 173.24 173.38 2k3x s ILE 41 N -3.23 0.13 -0.58 6.45 -5.25 -1.26 -1.54 121.20 115.93 2k3x s ILE 41 Ca 0.13 -1.07 0.00 0.00 -0.99 0.00 0.00 60.65 58.72 2k3x s ILE 41 Cb -0.05 -0.88 0.00 0.00 2.95 0.00 0.00 42.46 44.48 2k3x s ILE 41 CO 0.08 -0.59 0.25 -0.81 -1.79 0.00 0.00 174.94 172.08 2k3x n PRO 42 N 0.79 0.36 0.26 0.37 -0.04 -1.04 -4.18 135.00 131.52 2k3x n PRO 42 Ca -0.19 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.36 2k3x n PRO 42 Cb 0.58 -1.24 0.68 0.00 -0.04 0.00 0.00 33.50 33.48 2k3x n PRO 42 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2k3x h ASN 43 N 0.91 0.00 -0.57 3.54 -0.73 -1.96 -3.45 115.58 113.32 2k3x h ASN 43 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2k3x h ASN 43 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2k3x h ASN 43 CO 0.00 0.01 0.00 -0.67 -0.37 0.00 0.00 177.43 176.40 2k3x n ASP 44 N -4.40 0.00 -3.79 1.15 2.03 -1.26 -5.09 116.55 105.18 2k3x n ASP 44 Ca -0.03 -0.38 -0.30 0.00 0.52 0.00 0.00 54.79 54.60 2k3x n ASP 44 Cb 0.10 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.35 2k3x n ASP 44 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k3x s LYS 45 N -0.14 0.88 0.06 -0.67 1.02 -1.26 -2.43 119.74 117.20 2k3x s LYS 45 Ca 0.00 -1.22 -0.31 0.00 0.02 0.00 0.00 55.97 54.46 2k3x s LYS 45 Cb 0.00 -2.24 -0.07 0.00 -0.52 0.00 0.00 37.83 35.00 2k3x s LYS 45 CO 0.00 -0.97 1.43 -1.25 -0.92 0.00 0.00 175.35 173.65 2k3x s PRO 46 N 1.47 4.29 0.00 -1.68 0.04 -1.26 -3.71 135.00 134.15 2k3x s PRO 46 Ca 0.10 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2k3x s PRO 46 Cb -0.18 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2k3x s PRO 46 CO -0.21 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.70 2k3x n GLY 47 N 3.63 1.02 0.00 0.56 0.00 -1.26 -0.97 105.19 108.16 2k3x n GLY 47 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 0.95 3.64 -0.02 0.00 -1.24 -4.91 105.19 101.61 2k3x n GLY 48 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2k3x n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3x s SER 49 N -1.45 2.59 0.22 1.61 0.01 -0.15 -4.94 113.70 111.60 2k3x s SER 49 Ca 0.00 1.98 -0.08 0.00 1.31 0.00 0.00 55.95 59.17 2k3x s SER 49 Cb 0.00 -2.49 0.30 0.00 0.21 0.00 0.00 66.02 64.04 2k3x s SER 49 CO 0.00 -3.27 1.80 0.28 0.41 0.00 0.00 173.24 172.46 2k3x h SER 50 N -1.99 0.56 -4.03 2.44 0.02 -1.95 -3.38 113.55 105.22 2k3x h SER 50 Ca -0.48 0.04 0.24 0.00 -0.84 0.00 0.00 61.79 60.75 2k3x h SER 50 Cb 1.28 -0.07 -0.21 0.00 0.14 0.00 0.00 62.40 63.55 2k3x h SER 50 CO 0.45 0.34 0.82 -1.58 -1.14 0.00 0.00 176.83 175.72 2k3x s GLN 51 N -6.07 0.28 -0.60 3.45 0.74 -1.26 -4.84 119.66 111.36 2k3x s GLN 51 Ca -0.13 -0.06 -0.27 0.00 0.05 0.00 0.00 55.36 54.95 2k3x s GLN 51 Cb 0.17 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.41 2k3x s GLN 51 CO 0.77 -0.11 1.58 0.00 -0.55 0.00 0.00 175.29 176.97 2k3x s ALA 52 N -2.05 2.57 -0.38 1.58 0.00 -1.02 -4.78 121.76 117.68 2k3x s ALA 52 Ca 0.08 -0.73 -0.28 0.00 0.00 0.00 0.00 51.96 51.03 2k3x s ALA 52 Cb -0.01 -4.20 -0.02 0.00 0.00 0.00 0.00 23.12 18.89 2k3x s ALA 52 CO -0.05 -3.34 1.88 0.99 0.00 0.00 0.00 175.76 175.24 2k3x s THR 53 N 7.17 3.39 0.08 0.00 2.01 -1.26 -2.50 115.64 124.54 2k3x s THR 53 Ca 0.56 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.93 2k3x s THR 53 Cb -0.12 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.78 2k3x s THR 53 CO 0.22 -0.45 0.00 0.29 -0.69 0.00 0.00 174.62 173.99 2k3x n LYS 54 N 8.62 -0.74 -1.82 4.92 5.02 -1.26 -4.32 118.16 128.58 2k3x n LYS 54 Ca 0.24 0.49 -0.39 0.00 -2.02 0.00 0.00 58.31 56.62 2k3x n LYS 54 Cb 0.48 -0.90 -0.03 0.00 -0.02 0.00 0.00 35.03 34.56 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k3x s GLU 55 N -0.64 2.62 0.02 1.97 2.02 -1.26 -4.01 118.70 119.41 2k3x s GLU 55 Ca 0.00 1.19 -0.30 0.00 0.02 0.00 0.00 54.97 55.88 2k3x s GLU 55 Cb 0.00 -4.42 -0.04 0.00 0.10 0.00 0.00 34.13 29.77 2k3x s GLU 55 CO 0.00 -2.71 1.13 0.42 0.02 0.00 0.00 175.26 174.12 2k3x s ILE 56 N 9.72 4.34 0.24 -1.63 1.01 -0.59 -4.97 121.20 129.33 2k3x s ILE 56 Ca 0.84 1.68 -0.30 0.00 0.00 0.00 0.00 60.65 62.87 2k3x s ILE 56 Cb -0.18 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 2k3x s ILE 56 CO 0.26 0.10 1.14 -0.54 0.00 0.00 0.00 174.94 175.91 2k3x s LYS 57 N 1.30 4.57 0.07 2.79 1.02 -1.26 -4.16 119.74 124.07 2k3x s LYS 57 Ca 0.56 1.84 -0.35 0.00 0.02 0.00 0.00 55.97 58.04 2k3x s LYS 57 Cb -0.26 -3.21 -0.14 0.00 -0.52 0.00 0.00 37.83 33.70 2k3x s LYS 57 CO 0.27 0.08 1.58 -2.30 -0.92 0.00 0.00 175.35 174.06 2k3x n PRO 58 N 1.70 1.84 -3.93 -1.68 -0.02 -1.24 -4.89 135.00 126.78 2k3x n PRO 58 Ca 0.01 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 2k3x n PRO 58 Cb 0.45 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.40 2k3x n PRO 58 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2k3x s GLN 59 N 1.50 0.25 0.19 -0.52 -0.21 -1.26 -4.96 119.66 114.66 2k3x s GLN 59 Ca 0.84 -0.39 -0.33 0.00 0.02 0.00 0.00 55.36 55.50 2k3x s GLN 59 Cb -0.77 0.09 -0.14 0.00 1.00 0.00 0.00 33.01 33.19 2k3x s GLN 59 CO 0.44 -0.05 1.39 1.63 -2.12 0.00 0.00 175.29 176.59 2k3x n LYS 60 N 2.02 1.80 -2.58 2.91 4.76 -1.26 -4.25 118.16 121.56 2k3x n LYS 60 Ca -0.20 0.64 -0.12 0.00 -2.87 0.00 0.00 58.31 55.76 2k3x n LYS 60 Cb 0.56 -2.29 -0.00 0.00 -1.84 0.00 0.00 35.03 31.46 2k3x n LYS 60 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2k3x n LEU 61 N 2.43 0.00 0.00 -0.35 -0.00 -1.26 -4.98 117.00 112.84 2k3x n LEU 61 Ca 0.14 -1.29 0.00 0.00 -0.00 0.00 0.00 56.01 54.86 2k3x n LEU 61 Cb 0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 2k3x n LEU 61 CO 0.62 -0.39 0.00 0.61 -0.00 0.00 0.00 177.39 178.23 2k3x n GLY 62 N 2.04 2.00 0.16 1.47 0.00 -1.26 -5.02 105.19 104.58 2k3x n GLY 62 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2k3x n GLY 62 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k3x h GLU 63 N 0.00 0.09 0.00 1.61 4.11 -2.03 -3.45 114.58 114.92 2k3x h GLU 63 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2k3x h GLU 63 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k3x h GLU 63 CO 0.00 0.59 0.00 -3.47 0.07 0.00 0.00 179.01 176.20 2k3x n ASP 64 N -3.92 0.00 -0.87 3.06 2.03 -1.26 -5.02 116.55 110.57 2k3x n ASP 64 Ca -0.02 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.41 2k3x n ASP 64 Cb 0.54 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.03 2k3x n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3x n GLU 65 N 0.00 2.10 -1.06 -0.67 0.00 -1.26 -5.03 120.64 114.72 2k3x n GLU 65 Ca 0.00 -1.75 -0.44 0.00 0.00 0.00 0.00 57.16 54.96 2k3x n GLU 65 Cb 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 31.44 29.91 2k3x n GLU 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2k3x n SER 66 N 1.11 0.70 -4.77 -1.84 7.64 -1.26 -4.85 113.62 110.34 2k3x n SER 66 Ca 0.13 0.67 -0.40 0.00 1.01 0.00 0.00 58.87 60.28 2k3x n SER 66 Cb 0.57 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 63.15 2k3x n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2k3x s ILE 67 N 2.89 2.50 0.42 0.44 -0.00 -1.26 -5.02 121.20 121.17 2k3x s ILE 67 Ca 0.76 0.48 -0.22 0.00 -0.00 0.00 0.00 60.65 61.68 2k3x s ILE 67 Cb -1.03 -3.30 -0.10 0.00 -0.00 0.00 0.00 42.46 38.03 2k3x s ILE 67 CO 0.52 0.10 0.97 -2.16 -0.00 0.00 0.00 174.94 174.36 2k3x s PRO 68 N -2.06 4.21 0.63 0.37 0.04 -1.26 -4.95 135.00 131.97 2k3x s PRO 68 Ca 0.53 1.21 0.34 0.00 0.04 0.00 0.00 61.00 63.12 2k3x s PRO 68 Cb -0.41 -2.27 1.93 0.00 0.04 0.00 0.00 34.50 33.79 2k3x s PRO 68 CO 0.54 -0.06 2.18 0.93 0.04 0.00 0.00 177.00 180.63 2k3x h GLU 69 N 2.06 0.00 -0.92 4.56 5.08 -1.99 -1.98 114.58 121.39 2k3x h GLU 69 Ca -0.49 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.00 2k3x h GLU 69 Cb 1.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 2k3x h GLU 69 CO 0.61 0.00 0.59 1.49 -1.00 0.00 0.00 179.01 180.70 2k3x h GLU 70 N 0.00 0.77 0.00 2.33 4.57 -2.04 -3.17 114.58 117.04 2k3x h GLU 70 Ca 0.03 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 2k3x h GLU 70 Cb 0.29 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2k3x h GLU 70 CO -0.00 0.51 -1.75 0.44 -1.18 0.00 0.00 179.01 177.03 2k3x n ILE 71 N -4.57 0.44 -0.35 2.32 -5.35 -0.76 -4.71 119.36 106.38 2k3x n ILE 71 Ca 0.17 -0.43 0.17 0.00 -0.27 0.00 0.00 62.75 62.39 2k3x n ILE 71 Cb 0.42 -0.25 0.37 0.00 -1.74 0.00 0.00 39.64 38.45 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 0.57 0.00 7.28 2.04 -1.48 -1.22 117.51 124.69 2k3x h ILE 72 Ca -0.18 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2k3x h ILE 72 Cb 1.21 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2k3x h ILE 72 CO 0.01 0.11 0.00 -0.46 0.00 0.00 0.00 178.15 177.81 2k3x n ASN 73 N -4.86 0.00 -4.13 1.72 0.23 -1.26 -4.09 115.26 102.87 2k3x n ASN 73 Ca 0.26 -0.44 -0.16 0.00 -0.53 0.00 0.00 54.58 53.71 2k3x n ASN 73 Cb 0.71 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.31 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 -1.91 1.80 0.25 4.83 0.00 -0.46 -4.96 107.32 106.86 2k3x s GLY 74 Ca 0.12 -1.79 -0.31 0.00 0.00 0.00 0.00 44.72 42.74 2k3x s GLY 74 CO 0.09 -1.54 1.30 0.28 0.00 0.00 0.00 173.10 173.23 2k3x n LYS 75 N -0.46 1.81 -4.38 2.90 4.76 -1.26 -4.48 118.16 117.03 2k3x n LYS 75 Ca 0.01 0.64 -0.27 0.00 -2.87 0.00 0.00 58.31 55.82 2k3x n LYS 75 Cb 0.66 -2.22 -0.12 0.00 -1.84 0.00 0.00 35.03 31.50 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 -1.40 0.97 -0.25 0.00 0.08 -0.40 -0.77 117.98 116.22 2k3x s PHE 77 Ca 0.16 -1.14 -0.29 0.00 0.12 0.00 0.00 56.93 55.78 2k3x s PHE 77 Cb -0.09 -1.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 2k3x s PHE 77 CO 0.07 -0.77 1.75 0.12 -0.10 0.00 0.00 175.22 176.29 2k3x s PHE 78 N 1.87 1.88 0.06 0.36 5.36 0.67 -1.56 117.98 126.62 2k3x s PHE 78 Ca 0.07 0.52 0.08 0.00 -0.96 0.00 0.00 56.93 56.64 2k3x s PHE 78 Cb -0.17 -4.06 -0.03 0.00 -0.34 0.00 0.00 43.02 38.43 2k3x s PHE 78 CO -0.24 -3.16 -0.22 0.96 -1.46 0.00 0.00 175.22 171.10 2k3x s ILE 79 N 6.05 1.78 -0.44 3.12 -4.36 -0.30 -1.27 121.20 125.78 2k3x s ILE 79 Ca 0.78 -1.31 -0.26 0.00 -0.26 0.00 0.00 60.65 59.59 2k3x s ILE 79 Cb -0.25 -1.56 0.02 0.00 1.25 0.00 0.00 42.46 41.93 2k3x s ILE 79 CO 0.32 0.18 0.95 -2.28 0.24 0.00 0.00 174.94 174.36 2k3x s HIS 80 N -0.87 2.94 -0.75 1.37 5.65 -0.56 -2.35 115.29 120.71 2k3x s HIS 80 Ca 0.08 0.51 -0.26 0.00 0.25 0.00 0.00 55.06 55.64 2k3x s HIS 80 Cb -0.09 -3.96 -0.01 0.00 -1.18 0.00 0.00 32.58 27.33 2k3x s HIS 80 CO 0.02 -1.06 1.76 0.71 -0.65 0.00 0.00 174.74 175.52 2k3x s TYR 81 N 3.79 1.88 0.49 3.88 2.02 -1.25 -1.31 117.35 126.85 2k3x s TYR 81 Ca 0.39 0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 57.39 2k3x s TYR 81 Cb -0.10 -4.22 -0.08 0.00 -0.40 0.00 0.00 41.96 37.16 2k3x s TYR 81 CO 0.25 -2.08 0.95 1.14 -1.57 0.00 0.00 175.55 174.25 2k3x s GLN 82 N 6.64 3.93 0.00 -0.62 -2.07 0.06 -3.00 119.66 124.59 2k3x s GLN 82 Ca 0.61 0.88 0.00 0.00 -1.82 0.00 0.00 55.36 55.03 2k3x s GLN 82 Cb -0.09 -2.18 0.00 0.00 -1.09 0.00 0.00 33.01 29.65 2k3x s GLN 82 CO 0.11 -0.23 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 2k3x n GLY 83 N -1.51 1.24 3.38 2.60 0.00 -1.26 -4.14 105.19 105.51 2k3x n GLY 83 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.55 1.67 0.42 1.61 0.52 -1.16 -5.10 118.94 113.34 2k3x s TRP 84 Ca 0.00 -1.28 -0.26 0.00 0.02 0.00 0.00 56.10 54.58 2k3x s TRP 84 Cb 0.00 -0.97 -0.09 0.00 -1.15 0.00 0.00 33.47 31.26 2k3x s TRP 84 CO 0.00 -0.39 1.43 0.15 0.02 0.00 0.00 176.95 178.16 2k3x s LYS 85 N -3.84 3.86 0.02 4.98 -0.14 -1.26 -4.88 119.74 118.47 2k3x s LYS 85 Ca 0.34 2.44 0.02 0.00 -1.36 0.00 0.00 55.97 57.41 2k3x s LYS 85 Cb 0.05 -2.77 0.12 0.00 -1.68 0.00 0.00 37.83 33.55 2k3x s LYS 85 CO 0.16 -0.69 1.08 0.43 -0.76 0.00 0.00 175.35 175.57 2k3x n SER 86 N 0.06 0.03 0.28 2.83 7.64 -1.26 -1.15 113.62 122.05 2k3x n SER 86 Ca 0.04 0.51 0.15 0.00 1.01 0.00 0.00 58.87 60.58 2k3x n SER 86 Cb 0.41 -0.52 0.88 0.00 -1.01 0.00 0.00 64.21 63.98 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 -0.05 6.43 0.02 -1.90 -2.19 113.55 115.86 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 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 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 -3.90 0.16 -1.86 3.45 7.02 -0.30 -4.77 117.44 117.24 2k3x n TRP 88 Ca -0.02 -0.06 -0.34 0.00 -1.02 0.00 0.00 57.50 56.06 2k3x n TRP 88 Cb 0.12 -0.13 -0.04 0.00 -2.42 0.00 0.00 31.31 28.84 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 -0.10 4.89 -0.04 -0.99 1.11 -0.83 -3.87 116.67 116.85 2k3x s ASP 89 Ca 0.04 0.40 -0.08 0.00 0.18 0.00 0.00 52.55 53.09 2k3x s ASP 89 Cb 0.03 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.51 2k3x s ASP 89 CO 0.01 -2.70 0.20 -0.70 1.18 0.00 0.00 175.17 173.16 2k3x s GLU 90 N 7.56 0.39 0.48 8.23 2.12 -0.99 -4.91 118.70 131.57 2k3x s GLU 90 Ca 0.79 -0.03 -0.19 0.00 0.36 0.00 0.00 54.97 55.90 2k3x s GLU 90 Cb -0.13 0.17 -0.09 0.00 0.26 0.00 0.00 34.13 34.35 2k3x s GLU 90 CO 0.18 -0.08 0.98 -1.58 -0.54 0.00 0.00 175.26 174.23 2k3x s TRP 91 N -0.64 3.29 0.13 5.30 0.52 -1.26 -1.16 118.94 125.13 2k3x s TRP 91 Ca -0.07 1.54 0.05 0.00 0.02 0.00 0.00 56.10 57.64 2k3x s TRP 91 Cb -0.04 -2.87 -0.04 0.00 -1.15 0.00 0.00 33.47 29.37 2k3x s TRP 91 CO 0.01 -0.39 -0.12 0.14 0.02 0.00 0.00 176.95 176.61 2k3x s VAL 92 N -2.35 1.22 0.56 4.03 -7.23 -0.60 -4.90 120.40 111.13 2k3x s VAL 92 Ca 0.62 -1.85 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 2k3x s VAL 92 Cb -0.11 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.22 2k3x s VAL 92 CO 0.23 -0.57 0.82 -0.83 -0.31 0.00 0.00 175.10 174.44 2k3x s GLY 93 N -2.75 1.68 0.60 2.32 0.00 -1.26 -1.27 107.32 106.64 2k3x s GLY 93 Ca 0.12 -1.04 0.37 0.00 0.00 0.00 0.00 44.72 44.17 2k3x s GLY 93 CO 0.02 -0.76 2.23 -1.82 0.00 0.00 0.00 173.10 172.77 2k3x h TYR 94 N -0.03 0.00 -0.32 1.90 5.03 -1.80 -0.18 116.97 121.57 2k3x h TYR 94 Ca -0.44 0.00 0.09 0.00 2.58 0.00 0.00 58.73 60.96 2k3x h TYR 94 Cb 1.28 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.55 2k3x h TYR 94 CO 0.41 0.03 0.28 0.22 -1.32 0.00 0.00 178.16 177.77 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.13 116.42 112.82 2k3x h ASP 95 Ca -0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 2k3x h ASP 95 Cb 0.16 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 2k3x h ASP 95 CO 0.00 0.00 -2.16 0.54 -2.88 0.00 0.00 179.24 174.75 2k3x n ARG 96 N -4.09 0.50 -4.07 0.28 5.12 -0.18 -4.94 116.66 109.28 2k3x n ARG 96 Ca 0.05 0.13 -0.24 0.00 -1.93 0.00 0.00 57.85 55.86 2k3x n ARG 96 Cb 0.45 -1.38 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2k3x s ILE 97 N -2.40 4.65 0.05 0.55 2.07 -0.57 -0.81 121.20 124.75 2k3x s ILE 97 Ca -0.28 -1.16 -0.01 0.00 -1.41 0.00 0.00 60.65 57.80 2k3x s ILE 97 Cb 0.08 -3.45 -0.04 0.00 0.13 0.00 0.00 42.46 39.18 2k3x s ILE 97 CO 0.45 -0.23 -0.03 -0.13 -1.91 0.00 0.00 174.94 173.08 2k3x s ARG 98 N -3.52 0.61 1.01 3.50 3.00 -0.43 -4.58 118.95 118.54 2k3x s ARG 98 Ca 0.32 -1.18 -0.13 0.00 0.00 0.00 0.00 55.73 54.74 2k3x s ARG 98 Cb -0.09 0.15 0.19 0.00 0.00 0.00 0.00 34.95 35.20 2k3x s ARG 98 CO 0.25 -0.09 1.10 0.00 0.00 0.00 0.00 175.30 176.56 2k3x s ALA 99 N -3.67 1.03 -0.56 2.13 0.00 -1.26 -0.67 121.76 118.76 2k3x s ALA 99 Ca 0.06 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.28 2k3x s ALA 99 Cb 0.06 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 20.14 2k3x s ALA 99 CO -0.09 -2.84 1.09 -0.47 0.00 0.00 0.00 175.76 173.45 2k3x s TYR 100 N -3.04 2.70 0.30 0.00 6.14 0.62 -4.58 117.35 119.49 2k3x s TYR 100 Ca 0.66 0.30 -0.16 0.00 0.64 0.00 0.00 57.07 58.51 2k3x s TYR 100 Cb -0.17 -4.34 0.02 0.00 0.42 0.00 0.00 41.96 37.89 2k3x s TYR 100 CO 0.57 -1.46 0.66 0.54 0.64 0.00 0.00 175.55 176.49 2k3x s ASN 101 N 2.84 -0.05 0.32 4.32 2.20 -1.26 -4.59 114.94 118.73 2k3x s ASN 101 Ca 0.39 -0.90 0.11 0.00 -0.94 0.00 0.00 52.86 51.52 2k3x s ASN 101 Cb -0.09 0.72 0.93 0.00 -2.00 0.00 0.00 41.25 40.81 2k3x s ASN 101 CO 0.24 -1.38 1.71 -0.08 -2.94 0.00 0.00 177.10 174.65 2k3x h GLU 102 N 2.07 0.50 0.00 3.55 4.81 -1.97 -0.45 114.58 123.09 2k3x h GLU 102 Ca -0.25 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 58.77 2k3x h GLU 102 Cb 1.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2k3x h GLU 102 CO 0.32 0.33 -0.84 0.93 -0.73 0.00 0.00 179.01 179.02 2k3x h GLU 103 N 0.51 0.01 0.00 1.92 5.08 -1.97 0.26 114.58 120.40 2k3x h GLU 103 Ca 0.67 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 2k3x h GLU 103 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2k3x h GLU 103 CO -0.51 0.84 -0.54 -0.91 -1.00 0.00 0.00 179.01 176.90 2k3x h ASN 104 N 0.01 0.00 0.75 1.42 2.35 -1.49 -1.62 115.58 117.00 2k3x h ASN 104 Ca -0.01 -0.11 -0.25 0.00 -0.55 0.00 0.00 56.30 55.37 2k3x h ASN 104 Cb 1.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.85 2k3x h ASN 104 CO 0.11 0.06 -1.17 0.40 -1.65 0.00 0.00 177.43 175.18 2k3x h ILE 105 N 0.00 1.57 -0.32 2.81 5.03 -0.81 0.17 117.51 125.95 2k3x h ILE 105 Ca 0.00 -3.19 -0.01 0.00 -0.12 0.00 0.00 64.86 61.55 2k3x h ILE 105 Cb 0.82 2.91 -0.02 0.00 -3.03 0.00 0.00 36.82 37.51 2k3x h ILE 105 CO 0.00 0.92 0.17 0.00 -0.68 0.00 0.00 178.15 178.57 2k3x h ALA 106 N 0.72 0.42 -0.22 1.87 0.00 -0.33 0.17 119.26 121.89 2k3x h ALA 106 Ca -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k3x h ALA 106 Cb 1.90 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2k3x h ALA 106 CO 0.18 -0.05 0.12 0.00 0.00 0.00 0.00 179.25 179.50 2k3x h MET 107 N 0.40 0.25 -0.13 0.00 -0.00 -1.30 -1.79 114.93 112.35 2k3x h MET 107 Ca 0.11 -0.01 0.02 0.00 -0.00 0.00 0.00 59.70 59.82 2k3x h MET 107 Cb 0.07 -0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 31.60 2k3x h MET 107 CO -0.02 0.16 0.02 -0.22 -0.00 0.00 0.00 176.91 176.86 2k3x h LYS 108 N 0.26 0.07 -0.36 -0.10 1.63 -0.19 0.55 116.57 118.44 2k3x h LYS 108 Ca 0.09 -0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.74 2k3x h LYS 108 Cb -0.00 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2k3x h LYS 108 CO -0.04 0.05 -0.32 1.57 -3.45 0.00 0.00 179.45 177.25 2k3x h LYS 109 N 0.08 0.80 -0.26 1.90 2.10 -0.62 0.19 116.57 120.75 2k3x h LYS 109 Ca 0.06 -0.38 -0.00 0.00 -2.00 0.00 0.00 60.65 58.33 2k3x h LYS 109 Cb 0.06 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 2k3x h LYS 109 CO -0.08 1.01 0.15 -0.09 -2.00 0.00 0.00 179.45 178.44 2k3x h ARG 110 N 0.67 0.36 -0.23 0.07 1.12 -1.09 -2.83 114.38 112.46 2k3x h ARG 110 Ca 0.07 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2k3x h ARG 110 Cb 0.87 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.74 2k3x h ARG 110 CO 0.08 0.30 0.13 -0.07 -3.11 0.00 0.00 179.97 177.30 2k3x h LEU 111 N 0.32 0.29 -0.08 3.80 3.38 -0.57 -2.05 115.31 120.39 2k3x h LEU 111 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k3x h LEU 111 Cb 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k3x h LEU 111 CO -0.02 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.80 2k3x n ALA 112 N -2.20 1.31 0.01 1.53 0.00 0.63 -0.78 120.51 121.01 2k3x n ALA 112 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.41 2k3x n ALA 112 Cb 0.07 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 2k3x n ALA 112 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k3x n ASN 113 N -1.56 0.61 -0.08 0.00 3.02 -0.80 -4.09 115.26 112.37 2k3x n ASN 113 Ca 0.01 0.27 -0.10 0.00 -0.03 0.00 0.00 54.58 54.73 2k3x n ASN 113 Cb 0.08 0.56 0.04 0.00 -0.61 0.00 0.00 39.78 39.86 2k3x n ASN 113 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2k3x h LEU 114 N 0.00 0.83 0.00 3.41 5.85 -0.59 -3.52 115.31 121.30 2k3x h LEU 114 Ca -0.18 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2k3x h LEU 114 Cb 1.55 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2k3x h LEU 114 CO 0.03 1.10 0.00 1.21 -0.34 0.00 0.00 178.44 180.44