#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x h VAL 2 N 0.00 0.95 -0.49 3.17 2.07 -2.01 -1.66 116.25 118.28 2k3x h VAL 2 Ca 0.00 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.29 2k3x h VAL 2 Cb 0.00 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 2k3x h VAL 2 CO 0.00 0.13 0.33 -0.78 0.02 0.00 0.00 177.57 177.27 2k3x h ASP 3 N 0.71 0.55 -0.02 0.57 3.58 -2.02 -0.69 116.42 119.10 2k3x h ASP 3 Ca 0.36 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.76 2k3x h ASP 3 Cb 0.44 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2k3x h ASP 3 CO -0.13 0.39 -0.13 0.25 -2.88 0.00 0.00 179.24 176.74 2k3x h LEU 4 N 0.64 0.14 -2.18 2.28 7.12 -1.74 -3.29 115.31 118.29 2k3x h LEU 4 Ca 0.19 -0.70 -0.01 0.00 0.13 0.00 0.00 57.88 57.49 2k3x h LEU 4 Cb -0.03 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.05 2k3x h LEU 4 CO -0.04 0.82 -0.03 -0.33 -0.13 0.00 0.00 178.44 178.73 2k3x h GLU 5 N -0.53 0.00 0.00 1.25 4.39 -1.16 -2.08 114.58 116.45 2k3x h GLU 5 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2k3x h GLU 5 Cb 0.82 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2k3x h GLU 5 CO 0.03 0.03 -0.02 0.37 -1.16 0.00 0.00 179.01 178.25 2k3x h GLN 6 N 0.00 0.00 -6.69 2.33 4.15 -1.20 -3.37 115.11 110.32 2k3x h GLN 6 Ca -0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 2k3x h GLN 6 Cb 0.06 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.78 2k3x h GLN 6 CO 0.00 0.02 0.62 -1.21 -1.93 0.00 0.00 178.83 176.33 2k3x s GLU 7 N -4.66 4.42 0.55 1.69 2.02 -0.78 -4.05 118.70 117.90 2k3x s GLU 7 Ca -0.05 2.01 -0.21 0.00 0.02 0.00 0.00 54.97 56.74 2k3x s GLU 7 Cb 0.15 -3.20 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 2k3x s GLU 7 CO 0.58 -0.19 1.16 1.97 0.02 0.00 0.00 175.26 178.79 2k3x n PHE 8 N 2.45 1.58 -4.04 1.61 -1.74 -1.26 -4.70 117.46 111.36 2k3x n PHE 8 Ca 0.05 0.45 -0.08 0.00 -0.56 0.00 0.00 57.45 57.31 2k3x n PHE 8 Cb 0.43 -2.26 -0.11 0.00 1.52 0.00 0.00 39.48 39.07 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 -1.37 0.35 -0.05 1.98 0.00 -1.26 -4.96 121.76 116.45 2k3x s ALA 9 Ca 0.73 -0.90 0.29 0.00 0.00 0.00 0.00 51.96 52.08 2k3x s ALA 9 Cb -0.44 0.20 1.41 0.00 0.00 0.00 0.00 23.12 24.29 2k3x s ALA 9 CO 0.49 -0.25 1.89 -0.07 0.00 0.00 0.00 175.76 177.82 2k3x h LEU 10 N 3.92 0.00 -2.74 0.00 -0.00 -1.95 -0.89 115.31 113.66 2k3x h LEU 10 Ca -0.33 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.40 2k3x h LEU 10 Cb 1.18 0.00 -0.30 0.00 -0.00 0.00 0.00 40.66 41.54 2k3x h LEU 10 CO 0.53 0.00 -0.88 0.61 -0.00 0.00 0.00 178.44 178.69 2k3x n GLY 11 N -0.56 0.88 3.79 0.83 0.00 -1.26 -4.60 105.19 104.27 2k3x n GLY 11 Ca -0.00 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.74 2.17 0.65 -0.02 0.00 -0.34 -4.95 107.32 103.10 2k3x s GLY 12 Ca 0.26 0.49 -0.06 0.00 0.00 0.00 0.00 44.72 45.40 2k3x s GLY 12 CO -0.13 0.82 0.97 0.50 0.00 0.00 0.00 173.10 175.26 2k3x s ARG 13 N -4.03 2.55 0.28 2.90 0.52 -1.26 -2.86 118.95 117.04 2k3x s ARG 13 Ca 0.66 -0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.78 2k3x s ARG 13 Cb -0.18 -2.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 2k3x s ARG 13 CO 0.38 -0.99 0.24 0.00 0.02 0.00 0.00 175.30 174.96 2k3x s LEU 15 N -3.26 1.09 -0.05 0.00 1.43 -0.28 -0.72 118.68 116.89 2k3x s LEU 15 Ca 0.39 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2k3x s LEU 15 Cb 0.04 -0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.22 2k3x s LEU 15 CO 0.20 -0.13 -0.12 0.00 0.23 0.00 0.00 176.35 176.53 2k3x s ALA 16 N 1.04 1.18 0.50 4.21 0.00 -0.40 -1.15 121.76 127.13 2k3x s ALA 16 Ca -0.09 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.26 2k3x s ALA 16 Cb -0.12 -0.47 -0.08 0.00 0.00 0.00 0.00 23.12 22.44 2k3x s ALA 16 CO -0.03 0.16 0.98 -0.06 0.00 0.00 0.00 175.76 176.81 2k3x s PHE 17 N 0.38 3.40 0.00 0.00 0.08 -0.43 -0.93 117.98 120.48 2k3x s PHE 17 Ca -0.08 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.47 2k3x s PHE 17 Cb -0.13 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 2k3x s PHE 17 CO 0.02 -0.34 0.00 0.72 -0.10 0.00 0.00 175.22 175.52 2k3x n HIS 18 N -1.37 0.00 0.00 0.36 8.25 -0.67 -4.92 115.22 116.87 2k3x n HIS 18 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2k3x n HIS 18 Cb 0.54 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 2.06 -0.41 0.24 -1.41 0.00 -1.26 -4.92 105.19 99.50 2k3x n GLY 19 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 0.42 0.00 1.61 0.13 -2.03 -3.46 132.00 128.67 2k3x h PRO 20 Ca 0.00 -0.13 -0.09 0.00 -0.87 0.00 0.00 66.00 64.91 2k3x h PRO 20 Cb 0.00 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.07 2k3x h PRO 20 CO 0.00 0.59 -0.06 -0.11 -0.23 0.00 0.00 178.00 178.19 2k3x n LEU 21 N -4.18 0.00 -4.26 1.56 7.94 -1.26 -4.95 117.00 111.85 2k3x n LEU 21 Ca -0.00 -0.90 -0.16 0.00 -1.11 0.00 0.00 56.01 53.83 2k3x n LEU 21 Cb 0.34 0.76 -0.10 0.00 0.53 0.00 0.00 43.42 44.95 2k3x n LEU 21 CO 0.40 -0.20 -0.43 0.00 -1.11 0.00 0.00 177.39 176.05 2k3x s MET 22 N -2.27 1.08 0.13 1.96 0.23 -1.26 -1.68 119.30 117.50 2k3x s MET 22 Ca 0.09 -1.38 0.02 0.00 -1.03 0.00 0.00 55.69 53.40 2k3x s MET 22 Cb -0.00 -0.82 -0.04 0.00 -1.53 0.00 0.00 34.83 32.43 2k3x s MET 22 CO 0.07 0.14 -0.04 0.71 -2.03 0.00 0.00 175.02 173.86 2k3x s TYR 23 N -2.73 1.03 0.33 3.16 2.02 -0.10 -4.91 117.35 116.14 2k3x s TYR 23 Ca 0.14 -0.94 -0.28 0.00 -0.37 0.00 0.00 57.07 55.62 2k3x s TYR 23 Cb -0.01 -0.58 -0.10 0.00 -0.40 0.00 0.00 41.96 40.87 2k3x s TYR 23 CO 0.03 -0.15 1.21 -1.21 -1.57 0.00 0.00 175.55 173.85 2k3x s GLU 24 N -3.86 4.36 0.11 -0.62 8.01 -1.26 -1.28 118.70 124.17 2k3x s GLU 24 Ca 0.16 1.99 0.05 0.00 0.01 0.00 0.00 54.97 57.19 2k3x s GLU 24 Cb 0.05 -3.00 -0.04 0.00 -4.31 0.00 0.00 34.13 26.83 2k3x s GLU 24 CO -0.01 -0.10 -0.13 0.00 0.01 0.00 0.00 175.26 175.02 2k3x s ALA 25 N -1.22 1.35 -0.31 5.21 0.00 0.10 -0.86 121.76 126.04 2k3x s ALA 25 Ca 0.50 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2k3x s ALA 25 Cb -0.35 -0.06 0.14 0.00 0.00 0.00 0.00 23.12 22.85 2k3x s ALA 25 CO 0.46 0.09 0.31 0.21 0.00 0.00 0.00 175.76 176.82 2k3x s LYS 26 N -2.51 0.40 0.26 0.00 2.20 -0.96 -0.57 119.74 118.57 2k3x s LYS 26 Ca 0.06 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.03 2k3x s LYS 26 Cb -0.05 -0.69 -0.10 0.00 -1.51 0.00 0.00 37.83 35.48 2k3x s LYS 26 CO 0.02 -1.07 1.38 0.42 -0.36 0.00 0.00 175.35 175.74 2k3x s ILE 27 N 2.12 2.77 0.21 5.43 1.01 -1.14 -1.55 121.20 130.05 2k3x s ILE 27 Ca 0.11 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2k3x s ILE 27 Cb -0.14 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2k3x s ILE 27 CO -0.25 0.12 0.00 -0.11 0.00 0.00 0.00 174.94 174.70 2k3x n LEU 28 N 2.01 0.18 -4.82 2.97 0.00 -0.55 -4.48 117.00 112.31 2k3x n LEU 28 Ca 0.05 0.34 -0.37 0.00 0.00 0.00 0.00 56.01 56.04 2k3x n LEU 28 Cb 0.41 0.17 -0.07 0.00 0.00 0.00 0.00 43.42 43.93 2k3x n LEU 28 CO 0.60 -0.75 -0.12 -0.75 0.00 0.00 0.00 177.39 176.37 2k3x s LYS 29 N -1.87 3.78 0.25 1.96 2.20 -1.17 -3.98 119.74 120.91 2k3x s LYS 29 Ca 0.00 -0.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 2k3x s LYS 29 Cb 0.00 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 2k3x s LYS 29 CO 0.00 0.59 -0.09 0.96 -0.36 0.00 0.00 175.35 176.45 2k3x s ILE 30 N -0.53 1.67 0.02 5.43 -0.00 0.19 -0.32 121.20 127.65 2k3x s ILE 30 Ca 0.15 -2.16 -0.04 0.00 -0.00 0.00 0.00 60.65 58.60 2k3x s ILE 30 Cb -0.13 -2.31 -0.01 0.00 -0.00 0.00 0.00 42.46 40.01 2k3x s ILE 30 CO 0.04 -0.40 0.06 0.86 -0.00 0.00 0.00 174.94 175.51 2k3x s TRP 31 N -3.00 0.18 -0.09 1.37 -0.11 0.14 -0.44 118.94 116.99 2k3x s TRP 31 Ca 0.27 -0.41 -0.04 0.00 1.22 0.00 0.00 56.10 57.15 2k3x s TRP 31 Cb 0.02 -0.14 0.05 0.00 -1.50 0.00 0.00 33.47 31.91 2k3x s TRP 31 CO 0.10 -0.28 0.18 0.34 -4.62 0.00 0.00 176.95 172.67 2k3x s ASP 32 N -1.69 0.67 0.33 5.86 -1.08 -1.19 -1.62 116.67 117.96 2k3x s ASP 32 Ca -0.11 0.38 0.24 0.00 -0.52 0.00 0.00 52.55 52.53 2k3x s ASP 32 Cb -0.06 0.37 1.19 0.00 -1.46 0.00 0.00 42.92 42.96 2k3x s ASP 32 CO -0.01 -0.24 1.72 1.55 0.52 0.00 0.00 175.17 178.70 2k3x h PRO 33 N 8.35 0.00 0.00 4.34 0.13 -1.77 -2.97 132.00 140.08 2k3x h PRO 33 Ca -0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2k3x h PRO 33 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k3x h PRO 33 CO 0.14 0.00 -0.00 0.77 -0.23 0.00 0.00 178.00 178.68 2k3x h SER 34 N 0.00 0.00 0.00 1.44 0.02 -1.93 -1.87 113.55 111.21 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 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k3x h SER 34 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 2k3x n SER 35 N -3.74 0.61 -4.22 3.07 7.64 -1.19 -5.03 113.62 110.76 2k3x n SER 35 Ca -0.03 -0.82 -0.30 0.00 1.01 0.00 0.00 58.87 58.72 2k3x n SER 35 Cb 0.08 0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.30 -1.74 -4.12 1.43 5.02 -0.70 -4.98 118.16 112.76 2k3x n LYS 36 Ca 0.00 0.20 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 2k3x n LYS 36 Cb 0.01 -4.03 -0.07 0.00 -0.02 0.00 0.00 35.03 30.93 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 -7.11 1.57 0.00 1.97 -1.94 -1.24 -4.86 119.30 107.69 2k3x s MET 37 Ca 0.10 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.47 2k3x s MET 37 Cb -0.06 0.38 0.00 0.00 2.01 0.00 0.00 34.83 37.16 2k3x s MET 37 CO 0.97 -0.61 0.00 2.48 -0.01 0.00 0.00 175.02 177.85 2k3x n TYR 38 N -0.43 -0.36 -3.60 -0.03 4.11 -1.26 -3.17 117.16 112.42 2k3x n TYR 38 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.85 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 1.06 0.00 0.27 -3.48 -4.23 0.42 -3.31 115.64 106.37 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 0.67 -0.55 -0.54 0.00 0.00 174.62 174.20 2k3x s SER 40 N -1.37 -0.24 0.07 3.99 0.15 -1.12 -0.64 113.70 114.54 2k3x s SER 40 Ca 0.05 -0.65 0.06 0.00 0.70 0.00 0.00 55.95 56.11 2k3x s SER 40 Cb -0.01 0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 64.97 2k3x s SER 40 CO -0.04 -1.30 -0.16 0.27 1.20 0.00 0.00 173.24 173.22 2k3x s ILE 41 N -3.93 1.30 -1.59 6.45 -5.25 -1.26 -1.54 121.20 115.38 2k3x s ILE 41 Ca 0.13 -1.28 0.29 0.00 -0.99 0.00 0.00 60.65 58.80 2k3x s ILE 41 Cb -0.05 -1.20 0.45 0.00 2.95 0.00 0.00 42.46 44.61 2k3x s ILE 41 CO 0.07 -0.09 1.88 -0.81 -1.79 0.00 0.00 174.94 174.19 2k3x n PRO 42 N 1.43 0.62 0.00 0.37 -0.04 -1.24 -4.04 135.00 132.11 2k3x n PRO 42 Ca -0.20 -0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.12 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 -1.02 0.00 -4.11 3.54 5.15 -1.26 -4.66 115.26 112.89 2k3x n ASN 43 Ca 0.14 -0.48 -0.11 0.00 -0.60 0.00 0.00 54.58 53.54 2k3x n ASN 43 Cb 0.27 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.44 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 -1.91 0.09 -0.03 1.20 2.15 -1.26 -5.10 116.67 111.80 2k3x s ASP 44 Ca 0.14 -1.18 0.03 0.00 0.43 0.00 0.00 52.55 51.97 2k3x s ASP 44 Cb 0.07 0.44 0.00 0.00 -0.30 0.00 0.00 42.92 43.12 2k3x s ASP 44 CO 0.11 -0.92 -0.12 -0.75 -0.17 0.00 0.00 175.17 173.32 2k3x s LYS 45 N -4.09 1.30 0.78 4.34 2.20 -1.26 -3.17 119.74 119.84 2k3x s LYS 45 Ca 0.30 -0.42 -0.10 0.00 -0.36 0.00 0.00 55.97 55.39 2k3x s LYS 45 Cb 0.04 -1.17 0.09 0.00 -1.51 0.00 0.00 37.83 35.28 2k3x s LYS 45 CO 0.09 0.16 1.12 -1.25 -0.36 0.00 0.00 175.35 175.11 2k3x s PRO 46 N 0.15 1.91 0.55 4.03 0.04 -1.26 -4.94 135.00 135.49 2k3x s PRO 46 Ca -0.04 -0.15 0.32 0.00 0.04 0.00 0.00 61.00 61.17 2k3x s PRO 46 Cb -0.10 -2.05 1.61 0.00 0.04 0.00 0.00 34.50 34.01 2k3x s PRO 46 CO 0.01 -1.52 2.11 0.78 0.04 0.00 0.00 177.00 178.42 2k3x h GLY 47 N -0.90 0.00 -0.78 0.56 0.00 -1.97 -3.30 103.07 96.67 2k3x h GLY 47 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k3x h GLY 47 CO 0.60 0.00 -0.14 0.61 0.00 0.00 0.00 176.54 177.60 2k3x n GLY 48 N -0.62 -0.12 3.25 4.60 0.00 -1.26 -4.85 105.19 106.20 2k3x n GLY 48 Ca -0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.35 0.14 0.36 1.61 0.01 -1.25 -5.06 113.70 108.17 2k3x s SER 49 Ca 0.12 -0.90 0.08 0.00 1.31 0.00 0.00 55.95 56.56 2k3x s SER 49 Cb 0.10 0.37 0.69 0.00 0.21 0.00 0.00 66.02 67.40 2k3x s SER 49 CO 0.24 -0.81 1.87 0.77 0.41 0.00 0.00 173.24 175.73 2k3x h SER 50 N 2.69 0.30 -4.84 2.44 4.64 -1.96 -3.39 113.55 113.43 2k3x h SER 50 Ca -0.33 -0.07 0.15 0.00 -0.47 0.00 0.00 61.79 61.07 2k3x h SER 50 Cb 1.21 -0.08 -0.13 0.00 -0.31 0.00 0.00 62.40 63.09 2k3x h SER 50 CO 0.53 0.46 0.53 -1.58 -0.87 0.00 0.00 176.83 175.90 2k3x s GLN 51 N -4.70 0.86 -0.05 4.77 0.74 -1.26 -4.89 119.66 115.13 2k3x s GLN 51 Ca -0.06 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 54.68 2k3x s GLN 51 Cb 0.15 0.36 -0.04 0.00 1.10 0.00 0.00 33.01 34.58 2k3x s GLN 51 CO 0.75 -0.38 1.27 0.00 -0.55 0.00 0.00 175.29 176.37 2k3x s ALA 52 N -3.08 3.54 -0.40 1.58 0.00 -1.19 -4.79 121.76 117.41 2k3x s ALA 52 Ca 0.08 0.67 -0.27 0.00 0.00 0.00 0.00 51.96 52.44 2k3x s ALA 52 Cb -0.01 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.58 2k3x s ALA 52 CO -0.06 -0.86 0.98 0.99 0.00 0.00 0.00 175.76 176.81 2k3x s THR 53 N 2.45 4.49 0.25 0.00 2.01 -1.26 -4.15 115.64 119.43 2k3x s THR 53 Ca 0.58 1.18 0.00 0.00 0.31 0.00 0.00 61.69 63.76 2k3x s THR 53 Cb -0.26 -4.41 0.00 0.00 0.01 0.00 0.00 72.50 67.84 2k3x s THR 53 CO 0.22 -0.67 0.00 1.17 -0.69 0.00 0.00 174.62 174.65 2k3x n LYS 54 N 7.05 -1.91 -2.03 4.92 4.81 -1.26 -4.65 118.16 125.10 2k3x n LYS 54 Ca 0.08 1.33 -0.42 0.00 -0.87 0.00 0.00 58.31 58.43 2k3x n LYS 54 Cb 0.48 -2.38 -0.03 0.00 0.02 0.00 0.00 35.03 33.12 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 -2.34 4.26 -0.20 1.64 2.02 -1.26 -3.59 118.70 119.23 2k3x s GLU 55 Ca 0.00 2.25 -0.04 0.00 0.02 0.00 0.00 54.97 57.20 2k3x s GLU 55 Cb 0.00 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 2k3x s GLU 55 CO 0.00 -0.51 -0.04 0.42 0.02 0.00 0.00 175.26 175.15 2k3x s ILE 56 N 0.93 3.57 0.65 -1.63 1.01 -0.59 -4.98 121.20 120.16 2k3x s ILE 56 Ca 0.66 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 2k3x s ILE 56 Cb -0.41 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2k3x s ILE 56 CO 0.33 0.44 1.05 -0.54 0.00 0.00 0.00 174.94 176.22 2k3x s LYS 57 N 1.06 3.18 0.08 2.79 -0.14 -1.26 -2.78 119.74 122.67 2k3x s LYS 57 Ca 0.01 1.01 -0.34 0.00 -1.36 0.00 0.00 55.97 55.30 2k3x s LYS 57 Cb -0.15 -2.02 -0.13 0.00 -1.68 0.00 0.00 37.83 33.86 2k3x s LYS 57 CO 0.00 -0.91 1.71 -2.30 -0.76 0.00 0.00 175.35 173.09 2k3x n PRO 58 N -2.66 2.25 -3.97 -1.68 -0.02 -1.21 -4.66 135.00 123.05 2k3x n PRO 58 Ca 0.08 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.29 2k3x n PRO 58 Cb 0.53 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 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 2.11 0.57 0.46 -0.52 -0.21 -1.26 -4.96 119.66 115.85 2k3x s GLN 59 Ca 0.83 -0.86 -0.22 0.00 0.02 0.00 0.00 55.36 55.13 2k3x s GLN 59 Cb -0.65 0.21 -0.10 0.00 1.00 0.00 0.00 33.01 33.47 2k3x s GLN 59 CO 0.42 -0.13 0.82 1.17 -2.12 0.00 0.00 175.29 175.45 2k3x n LYS 60 N 0.68 0.97 -4.09 2.91 4.81 -1.26 -4.14 118.16 118.05 2k3x n LYS 60 Ca -0.18 0.36 -0.26 0.00 -0.87 0.00 0.00 58.31 57.35 2k3x n LYS 60 Cb 0.59 -1.87 -0.04 0.00 0.02 0.00 0.00 35.03 33.72 2k3x n LYS 60 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2k3x s LEU 61 N 0.02 2.81 0.00 3.14 2.34 -1.26 -5.03 118.68 120.70 2k3x s LEU 61 Ca 0.66 -1.23 0.00 0.00 0.06 0.00 0.00 54.13 53.62 2k3x s LEU 61 Cb -0.54 -1.25 0.00 0.00 -0.56 0.00 0.00 46.19 43.84 2k3x s LEU 61 CO 0.55 -0.85 0.00 0.61 -1.06 0.00 0.00 176.35 175.61 2k3x n GLY 62 N -1.49 -1.28 1.76 -3.48 0.00 -1.26 -5.01 105.19 94.43 2k3x n GLY 62 Ca -0.04 0.70 -0.10 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.23 -4.11 1.61 1.02 -1.26 -0.78 120.64 115.90 2k3x n GLU 63 Ca 0.00 0.58 -0.32 0.00 -0.02 0.00 0.00 57.16 57.40 2k3x n GLU 63 Cb 0.00 -4.77 -0.02 0.00 -0.02 0.00 0.00 31.44 26.63 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 -0.14 -2.20 0.00 1.62 2.03 -1.26 -4.86 116.55 111.75 2k3x n ASP 64 Ca -0.10 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.21 2k3x n ASP 64 Cb 0.33 -2.92 0.00 0.00 -0.72 0.00 0.00 41.12 37.81 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 -4.42 3.26 -1.64 -0.67 2.13 0.04 -5.10 120.64 114.24 2k3x n GLU 65 Ca -0.08 0.00 -0.61 0.00 0.66 0.00 0.00 57.16 57.13 2k3x n GLU 65 Cb 0.57 -0.35 -0.08 0.00 0.27 0.00 0.00 31.44 31.85 2k3x n GLU 65 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k3x n SER 66 N -0.52 1.09 -4.75 4.31 7.64 -1.17 -4.85 113.62 115.37 2k3x n SER 66 Ca 0.00 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 2k3x n SER 66 Cb 0.00 -0.98 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 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 1.81 2.46 0.47 0.44 -0.00 -1.26 -5.01 121.20 120.11 2k3x s ILE 67 Ca 0.97 0.39 -0.20 0.00 -0.00 0.00 0.00 60.65 61.80 2k3x s ILE 67 Cb -1.28 -3.25 -0.09 0.00 -0.00 0.00 0.00 42.46 37.84 2k3x s ILE 67 CO 0.66 0.06 1.00 -2.16 -0.00 0.00 0.00 174.94 174.51 2k3x s PRO 68 N -0.37 3.95 0.62 0.37 0.04 -1.26 -4.89 135.00 133.45 2k3x s PRO 68 Ca 0.61 1.23 0.34 0.00 0.04 0.00 0.00 61.00 63.22 2k3x s PRO 68 Cb -0.44 -2.13 1.94 0.00 0.04 0.00 0.00 34.50 33.92 2k3x s PRO 68 CO 0.44 -0.29 2.22 0.93 0.04 0.00 0.00 177.00 180.35 2k3x h GLU 69 N 1.58 0.00 -0.40 4.56 5.08 -1.98 -1.71 114.58 121.72 2k3x h GLU 69 Ca -0.49 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 57.99 2k3x h GLU 69 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2k3x h GLU 69 CO 0.60 0.00 0.30 0.93 -1.00 0.00 0.00 179.01 179.84 2k3x h GLU 70 N 0.00 0.00 0.00 2.33 5.08 -2.03 -3.15 114.58 116.81 2k3x h GLU 70 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2k3x h GLU 70 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k3x h GLU 70 CO -0.00 0.00 -1.10 0.44 -1.00 0.00 0.00 179.01 177.35 2k3x n ILE 71 N -4.32 0.09 -0.25 3.13 -5.35 -0.71 -4.81 119.36 107.13 2k3x n ILE 71 Ca 0.07 -0.06 0.25 0.00 -0.27 0.00 0.00 62.75 62.73 2k3x n ILE 71 Cb 0.49 -0.71 0.60 0.00 -1.74 0.00 0.00 39.64 38.28 2k3x n ILE 71 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 2k3x h ILE 72 N 0.00 0.57 0.00 7.28 2.10 -1.32 -2.14 117.51 124.00 2k3x h ILE 72 Ca -0.04 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.82 2k3x h ILE 72 Cb 0.92 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 2k3x h ILE 72 CO 0.00 0.04 0.00 -0.46 -1.08 0.00 0.00 178.15 176.65 2k3x n ASN 73 N -4.43 0.00 -3.12 2.19 0.23 -1.25 -4.08 115.26 104.80 2k3x n ASN 73 Ca 0.21 -0.06 -0.19 0.00 -0.53 0.00 0.00 54.58 54.01 2k3x n ASN 73 Cb 0.88 -0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 38.42 2k3x n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3x n GLY 74 N -0.69 3.00 3.66 4.83 0.00 -0.80 -4.95 105.19 110.24 2k3x n GLY 74 Ca 0.04 -1.89 -0.44 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.61 1.93 -4.38 1.61 4.76 -1.26 -4.39 118.16 115.82 2k3x n LYS 75 Ca 0.06 0.69 -0.23 0.00 -2.87 0.00 0.00 58.31 55.96 2k3x n LYS 75 Cb 0.56 -2.29 -0.11 0.00 -1.84 0.00 0.00 35.03 31.36 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 -2.22 0.41 -0.17 0.00 0.08 -0.08 -0.68 117.98 115.32 2k3x s PHE 77 Ca 0.21 -0.75 -0.29 0.00 0.12 0.00 0.00 56.93 56.22 2k3x s PHE 77 Cb -0.05 -0.89 -0.04 0.00 -0.57 0.00 0.00 43.02 41.47 2k3x s PHE 77 CO 0.09 -0.71 1.66 0.12 -0.10 0.00 0.00 175.22 176.28 2k3x s PHE 78 N 2.07 2.01 0.04 0.36 5.36 0.56 -1.58 117.98 126.80 2k3x s PHE 78 Ca 0.06 0.43 0.05 0.00 -0.96 0.00 0.00 56.93 56.52 2k3x s PHE 78 Cb -0.16 -3.96 -0.02 0.00 -0.34 0.00 0.00 43.02 38.54 2k3x s PHE 78 CO -0.25 -3.29 -0.15 0.96 -1.46 0.00 0.00 175.22 171.02 2k3x s ILE 79 N 5.00 1.22 -0.18 3.12 -4.36 -0.73 -1.48 121.20 123.77 2k3x s ILE 79 Ca 0.74 -1.05 -0.29 0.00 -0.26 0.00 0.00 60.65 59.79 2k3x s ILE 79 Cb -0.28 -1.09 0.00 0.00 1.25 0.00 0.00 42.46 42.34 2k3x s ILE 79 CO 0.30 0.03 1.03 -2.28 0.24 0.00 0.00 174.94 174.26 2k3x s HIS 80 N -0.85 3.40 -0.84 1.37 5.65 -0.59 -1.96 115.29 121.46 2k3x s HIS 80 Ca 0.03 1.51 -0.25 0.00 0.25 0.00 0.00 55.06 56.59 2k3x s HIS 80 Cb -0.08 -3.24 -0.00 0.00 -1.18 0.00 0.00 32.58 28.07 2k3x s HIS 80 CO 0.01 -0.41 1.70 0.71 -0.65 0.00 0.00 174.74 176.10 2k3x s TYR 81 N 2.77 2.03 0.73 3.88 2.02 -1.12 -2.26 117.35 125.39 2k3x s TYR 81 Ca 0.46 0.19 -0.11 0.00 -0.37 0.00 0.00 57.07 57.24 2k3x s TYR 81 Cb -0.16 -4.31 0.03 0.00 -0.40 0.00 0.00 41.96 37.11 2k3x s TYR 81 CO 0.11 -1.98 1.07 -0.65 -1.57 0.00 0.00 175.55 172.53 2k3x s GLN 82 N 6.31 2.66 0.00 -0.62 -0.21 -0.04 -3.01 119.66 124.76 2k3x s GLN 82 Ca 0.58 1.02 0.00 0.00 0.02 0.00 0.00 55.36 56.97 2k3x s GLN 82 Cb -0.07 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 31.99 2k3x s GLN 82 CO 0.04 -1.31 0.00 0.41 -2.12 0.00 0.00 175.29 172.31 2k3x n GLY 83 N -1.72 0.40 3.21 3.09 0.00 -1.26 -4.11 105.19 104.79 2k3x n GLY 83 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.08 1.16 0.46 1.61 0.52 -1.16 -5.12 118.94 114.34 2k3x s TRP 84 Ca 0.00 -1.38 -0.23 0.00 0.02 0.00 0.00 56.10 54.52 2k3x s TRP 84 Cb 0.00 -0.55 -0.09 0.00 -1.15 0.00 0.00 33.47 31.67 2k3x s TRP 84 CO 0.00 -0.65 0.97 1.63 0.02 0.00 0.00 176.95 178.92 2k3x n LYS 85 N -0.28 1.22 0.29 4.98 4.76 -1.26 -4.86 118.16 123.00 2k3x n LYS 85 Ca 0.02 0.44 0.18 0.00 -2.87 0.00 0.00 58.31 56.09 2k3x n LYS 85 Cb 0.66 -2.05 0.96 0.00 -1.84 0.00 0.00 35.03 32.76 2k3x n LYS 85 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2k3x h SER 86 N 1.26 0.00 0.25 4.39 0.02 -1.91 -0.38 113.55 117.18 2k3x h SER 86 Ca -0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 2k3x h SER 86 Cb 1.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 2k3x h SER 86 CO 0.55 0.00 -0.12 0.28 -1.14 0.00 0.00 176.83 176.40 2k3x h SER 87 N 0.00 0.00 0.00 3.07 0.02 -1.89 -3.06 113.55 111.69 2k3x h SER 87 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2k3x h SER 87 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2k3x h SER 87 CO -0.00 0.12 0.00 0.79 -1.14 0.00 0.00 176.83 176.60 2k3x n TRP 88 N -3.88 0.00 -2.21 3.45 7.02 -0.15 -4.74 117.44 116.92 2k3x n TRP 88 Ca -0.02 -0.38 -0.39 0.00 -1.02 0.00 0.00 57.50 55.69 2k3x n TRP 88 Cb 0.21 -0.21 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 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 0.81 5.56 0.01 -0.99 1.11 -1.16 -2.77 116.67 119.25 2k3x s ASP 89 Ca 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.72 2k3x s ASP 89 Cb 0.00 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.44 2k3x s ASP 89 CO 0.00 -2.21 -0.02 -0.70 1.18 0.00 0.00 175.17 173.42 2k3x s GLU 90 N 6.59 0.15 0.58 8.23 2.12 -0.83 -4.91 118.70 130.63 2k3x s GLU 90 Ca 0.57 -0.23 -0.15 0.00 0.36 0.00 0.00 54.97 55.52 2k3x s GLU 90 Cb -0.10 -0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 2k3x s GLU 90 CO 0.17 -0.00 1.03 -1.58 -0.54 0.00 0.00 175.26 174.33 2k3x s TRP 91 N -0.50 3.27 0.06 5.30 0.52 -1.26 -1.78 118.94 124.54 2k3x s TRP 91 Ca -0.05 1.45 0.02 0.00 0.02 0.00 0.00 56.10 57.54 2k3x s TRP 91 Cb -0.04 -2.87 -0.03 0.00 -1.15 0.00 0.00 33.47 29.39 2k3x s TRP 91 CO -0.00 -0.80 -0.07 0.14 0.02 0.00 0.00 176.95 176.24 2k3x s VAL 92 N -2.70 0.56 0.56 4.03 -7.23 -0.62 -4.92 120.40 110.08 2k3x s VAL 92 Ca 0.60 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2k3x s VAL 92 Cb -0.13 -0.89 0.03 0.00 0.56 0.00 0.00 36.38 35.96 2k3x s VAL 92 CO 0.40 -0.52 0.80 -0.83 -0.31 0.00 0.00 175.10 174.63 2k3x s GLY 93 N -1.97 1.79 0.50 2.32 0.00 -1.26 -0.91 107.32 107.79 2k3x s GLY 93 Ca -0.04 -1.26 0.34 0.00 0.00 0.00 0.00 44.72 43.75 2k3x s GLY 93 CO -0.01 -0.97 2.02 -1.82 0.00 0.00 0.00 173.10 172.32 2k3x h TYR 94 N 0.02 0.00 -0.74 1.90 5.03 -1.77 -0.88 116.97 120.53 2k3x h TYR 94 Ca -0.43 0.00 0.16 0.00 2.58 0.00 0.00 58.73 61.05 2k3x h TYR 94 Cb 1.30 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.53 2k3x h TYR 94 CO 0.37 0.00 0.50 0.22 -1.32 0.00 0.00 178.16 177.93 2k3x h ASP 95 N 0.00 0.30 0.00 -2.11 3.58 -1.93 -3.30 116.42 112.96 2k3x h ASP 95 Ca 0.00 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 2k3x h ASP 95 Cb 0.12 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2k3x h ASP 95 CO 0.00 0.15 -1.19 0.54 -2.88 0.00 0.00 179.24 175.86 2k3x n ARG 96 N -4.45 3.34 -3.97 0.28 1.74 -0.45 -4.98 116.66 108.17 2k3x n ARG 96 Ca 0.14 -0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.97 2k3x n ARG 96 Cb 0.59 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.92 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 -2.07 5.16 -0.02 0.55 2.07 -0.55 -1.31 121.20 125.03 2k3x s ILE 97 Ca -0.02 -0.79 -0.11 0.00 -1.41 0.00 0.00 60.65 58.33 2k3x s ILE 97 Cb 0.01 -3.67 0.01 0.00 0.13 0.00 0.00 42.46 38.95 2k3x s ILE 97 CO 0.11 -0.11 0.23 -0.13 -1.91 0.00 0.00 174.94 173.13 2k3x s ARG 98 N -3.27 0.53 0.81 3.50 3.00 -0.30 -4.54 118.95 118.67 2k3x s ARG 98 Ca 0.34 -0.18 -0.12 0.00 0.00 0.00 0.00 55.73 55.77 2k3x s ARG 98 Cb -0.11 0.23 0.09 0.00 0.00 0.00 0.00 34.95 35.16 2k3x s ARG 98 CO 0.28 -0.13 1.17 0.00 0.00 0.00 0.00 175.30 176.62 2k3x s ALA 99 N -1.09 1.85 -0.08 2.13 0.00 -1.26 -1.13 121.76 122.18 2k3x s ALA 99 Ca -0.12 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 2k3x s ALA 99 Cb -0.06 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2k3x s ALA 99 CO 0.02 -2.26 1.91 -0.47 0.00 0.00 0.00 175.76 174.97 2k3x s TYR 100 N -2.35 1.51 0.29 0.00 5.04 0.21 -4.73 117.35 117.32 2k3x s TYR 100 Ca 0.70 0.05 -0.20 0.00 -2.44 0.00 0.00 57.07 55.18 2k3x s TYR 100 Cb -0.25 -4.08 0.04 0.00 0.35 0.00 0.00 41.96 38.02 2k3x s TYR 100 CO 0.52 -4.49 0.79 0.54 -1.34 0.00 0.00 175.55 171.57 2k3x s ASN 101 N 5.14 -0.16 0.36 4.32 2.20 -1.26 -4.57 114.94 120.97 2k3x s ASN 101 Ca 0.86 -0.75 0.04 0.00 -0.94 0.00 0.00 52.86 52.07 2k3x s ASN 101 Cb -0.36 0.72 0.68 0.00 -2.00 0.00 0.00 41.25 40.30 2k3x s ASN 101 CO 0.36 -1.37 2.01 -0.08 -2.94 0.00 0.00 177.10 175.07 2k3x h GLU 102 N 2.00 0.78 -0.01 3.55 4.81 -1.92 0.11 114.58 123.91 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 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2k3x h GLU 102 CO 0.29 0.52 -0.34 1.49 -0.73 0.00 0.00 179.01 180.24 2k3x h GLU 103 N 0.81 0.01 0.00 1.92 4.81 -1.97 0.88 114.58 121.04 2k3x h GLU 103 Ca 0.24 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 2k3x h GLU 103 Cb -0.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2k3x h GLU 103 CO -0.06 0.36 -0.64 -0.91 -0.73 0.00 0.00 179.01 177.03 2k3x h ASN 104 N 0.01 0.00 0.93 1.04 2.35 -1.37 -1.52 115.58 117.02 2k3x h ASN 104 Ca -0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 2k3x h ASN 104 Cb 0.62 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 2k3x h ASN 104 CO 0.05 0.21 -0.73 0.40 -1.65 0.00 0.00 177.43 175.70 2k3x h ILE 105 N 0.00 1.41 -0.25 2.81 5.03 -0.88 0.12 117.51 125.74 2k3x h ILE 105 Ca -0.03 -2.61 -0.07 0.00 -0.12 0.00 0.00 64.86 62.03 2k3x h ILE 105 Cb 1.18 2.45 -0.01 0.00 -3.03 0.00 0.00 36.82 37.42 2k3x h ILE 105 CO 0.02 0.72 -0.11 0.00 -0.68 0.00 0.00 178.15 178.10 2k3x h ALA 106 N 1.27 0.36 -0.70 1.87 0.00 -0.59 0.26 119.26 121.72 2k3x h ALA 106 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2k3x h ALA 106 Cb 1.39 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2k3x h ALA 106 CO 0.10 0.21 0.40 0.00 0.00 0.00 0.00 179.25 179.95 2k3x h MET 107 N 0.25 0.97 0.38 0.00 -0.00 -1.25 -1.61 114.93 113.68 2k3x h MET 107 Ca 0.06 -0.11 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 2k3x h MET 107 Cb 0.61 -0.19 -0.02 0.00 -0.00 0.00 0.00 31.60 31.99 2k3x h MET 107 CO 0.03 0.72 -0.39 -0.22 -0.00 0.00 0.00 176.91 177.05 2k3x h LYS 108 N 0.97 -0.74 -0.36 -0.10 1.63 -0.46 -0.97 116.57 116.53 2k3x h LYS 108 Ca 0.25 0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 60.03 2k3x h LYS 108 Cb 0.02 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 2k3x h LYS 108 CO -0.04 -0.50 -0.08 1.57 -3.45 0.00 0.00 179.45 176.95 2k3x h LYS 109 N -0.77 0.61 -0.08 1.90 2.10 -0.88 0.15 116.57 119.58 2k3x h LYS 109 Ca -0.05 -0.17 -0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2k3x h LYS 109 Cb 0.67 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2k3x h LYS 109 CO -0.05 0.69 0.04 -0.09 -2.00 0.00 0.00 179.45 178.04 2k3x h ARG 110 N 0.56 0.12 -0.43 0.07 1.12 -1.19 -2.94 114.38 111.69 2k3x h ARG 110 Ca 0.11 -0.02 -0.13 0.00 -1.11 0.00 0.00 59.98 58.83 2k3x h ARG 110 Cb 0.48 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.40 2k3x h ARG 110 CO 0.03 0.18 -0.25 -0.07 -3.11 0.00 0.00 179.97 176.74 2k3x h LEU 111 N 0.03 0.93 -1.84 3.80 3.38 -0.64 -2.84 115.31 118.12 2k3x h LEU 111 Ca 0.03 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2k3x h LEU 111 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2k3x h LEU 111 CO -0.00 1.13 0.02 0.00 0.09 0.00 0.00 178.44 179.67 2k3x h ALA 112 N 0.93 1.01 0.00 1.53 0.00 -0.63 0.18 119.26 122.29 2k3x h ALA 112 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2k3x h ALA 112 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2k3x h ALA 112 CO 0.07 -0.01 -0.32 -2.95 0.00 0.00 0.00 179.25 176.04 2k3x h ASN 113 N 0.00 0.00 -0.01 0.00 7.08 -1.33 -3.19 115.58 118.14 2k3x h ASN 113 Ca 0.00 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.07 2k3x h ASN 113 Cb 0.03 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.28 2k3x h ASN 113 CO 0.00 0.32 -0.59 0.25 -2.08 0.00 0.00 177.43 175.33 2k3x h LEU 114 N 0.00 0.53 0.00 6.14 5.85 -0.80 -3.53 115.31 123.50 2k3x h LEU 114 Ca -0.00 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2k3x h LEU 114 Cb 0.60 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2k3x h LEU 114 CO 0.04 1.21 0.00 1.21 -0.34 0.00 0.00 178.44 180.56