#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k06 h SER 2 N 0.00 0.00 -3.96 7.83 0.87 -2.12 -3.42 113.55 112.75 2k06 h SER 2 Ca 0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 2k06 h SER 2 Cb 0.00 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.06 2k06 h SER 2 CO 0.00 0.02 0.71 -1.61 -0.53 0.00 0.00 176.83 175.41 2k06 s GLU 3 N -4.92 3.93 -0.67 2.24 2.02 -1.26 -4.97 118.70 115.07 2k06 s GLU 3 Ca -0.05 2.40 0.05 0.00 0.02 0.00 0.00 54.97 57.39 2k06 s GLU 3 Cb 0.16 -2.81 0.16 0.00 0.10 0.00 0.00 34.13 31.75 2k06 s GLU 3 CO 0.64 -0.61 0.46 0.00 0.02 0.00 0.00 175.26 175.77 2k06 s ALA 4 N -1.18 3.70 0.45 5.21 0.00 -1.26 -5.09 121.76 123.58 2k06 s ALA 4 Ca 0.56 -3.74 -0.23 0.00 0.00 0.00 0.00 51.96 48.56 2k06 s ALA 4 Cb -0.43 -2.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 2k06 s ALA 4 CO 0.57 -2.09 1.17 -1.25 0.00 0.00 0.00 175.76 174.16 2k06 s PRO 5 N -1.27 3.82 -0.23 0.00 0.04 -1.26 -4.93 135.00 131.17 2k06 s PRO 5 Ca 0.24 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.10 2k06 s PRO 5 Cb -0.07 -2.46 0.40 0.00 0.04 0.00 0.00 34.50 32.41 2k06 s PRO 5 CO -0.14 -0.51 1.45 1.17 0.04 0.00 0.00 177.00 179.01 2k06 n LYS 6 N -0.37 2.04 -3.74 4.56 4.81 -1.26 -4.88 118.16 119.31 2k06 n LYS 6 Ca 0.07 -1.72 -0.36 0.00 -0.87 0.00 0.00 58.31 55.43 2k06 n LYS 6 Cb 0.48 -1.73 -0.07 0.00 0.02 0.00 0.00 35.03 33.73 2k06 n LYS 6 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k06 s LYS 7 N -1.89 3.98 0.16 1.64 1.02 -1.26 -4.69 119.74 118.70 2k06 s LYS 7 Ca 0.32 -0.14 0.09 0.00 0.02 0.00 0.00 55.97 56.26 2k06 s LYS 7 Cb 0.26 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 2k06 s LYS 7 CO 0.07 0.44 -0.21 1.03 -0.92 0.00 0.00 175.35 175.76 2k06 s ARG 8 N -0.06 1.33 -0.23 1.68 0.52 -1.26 -4.94 118.95 115.99 2k06 s ARG 8 Ca 0.11 -1.40 -0.14 0.00 -0.52 0.00 0.00 55.73 53.78 2k06 s ARG 8 Cb -0.12 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 2k06 s ARG 8 CO 0.01 0.32 0.33 -1.58 0.02 0.00 0.00 175.30 174.40 2k06 s TRP 9 N -1.77 3.32 0.27 -0.53 0.52 -1.26 -1.00 118.94 118.49 2k06 s TRP 9 Ca 0.16 0.46 0.12 0.00 0.02 0.00 0.00 56.10 56.85 2k06 s TRP 9 Cb -0.07 -2.47 -0.05 0.00 -1.15 0.00 0.00 33.47 29.73 2k06 s TRP 9 CO 0.07 -0.05 -0.18 0.71 0.02 0.00 0.00 176.95 177.52 2k06 s TYR 10 N 1.46 2.34 0.15 -1.98 2.02 -1.09 -3.58 117.35 116.66 2k06 s TYR 10 Ca 0.15 -0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 2k06 s TYR 10 Cb -0.15 -1.02 -0.06 0.00 -0.40 0.00 0.00 41.96 40.33 2k06 s TYR 10 CO 0.08 0.70 0.42 0.08 -1.57 0.00 0.00 175.55 175.25 2k06 s VAL 11 N -2.44 5.11 -0.16 0.71 1.01 -1.26 -1.65 120.40 121.71 2k06 s VAL 11 Ca 0.30 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2k06 s VAL 11 Cb -0.05 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.73 2k06 s VAL 11 CO 0.15 0.06 -0.13 -0.69 0.00 0.00 0.00 175.10 174.49 2k06 s VAL 12 N -1.65 1.57 0.15 2.92 1.01 0.41 -3.08 120.40 121.74 2k06 s VAL 12 Ca 0.41 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 2k06 s VAL 12 Cb -0.12 -1.52 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 2k06 s VAL 12 CO 0.23 0.39 0.75 -1.58 0.00 0.00 0.00 175.10 174.88 2k06 s GLN 13 N 1.47 4.51 0.00 2.72 0.74 0.18 -1.23 119.66 128.06 2k06 s GLN 13 Ca 0.04 1.09 0.00 0.00 0.05 0.00 0.00 55.36 56.54 2k06 s GLN 13 Cb -0.14 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.72 2k06 s GLN 13 CO -0.10 0.58 0.00 0.00 -0.55 0.00 0.00 175.29 175.22 2k06 n ALA 14 N 1.59 0.00 -2.54 1.58 0.00 0.46 -0.31 120.51 121.29 2k06 n ALA 14 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 2k06 n ALA 14 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 2k06 n ALA 14 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k06 s PHE 15 N -1.37 2.84 0.25 0.00 0.08 -1.22 -4.35 117.98 114.21 2k06 s PHE 15 Ca 0.00 -0.05 -0.31 0.00 0.12 0.00 0.00 56.93 56.68 2k06 s PHE 15 Cb 0.00 -1.66 -0.12 0.00 -0.57 0.00 0.00 43.02 40.67 2k06 s PHE 15 CO 0.00 0.28 1.64 0.45 -0.10 0.00 0.00 175.22 177.49 2k06 n SER 16 N 2.16 3.82 0.00 1.36 2.88 -1.26 -1.14 113.62 121.43 2k06 n SER 16 Ca -0.17 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2k06 n SER 16 Cb 0.53 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 2k06 n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k06 n GLY 17 N 2.97 2.55 0.51 0.46 0.00 -1.26 -4.81 105.19 105.61 2k06 n GLY 17 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2k06 n GLY 17 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k06 n PHE 18 N -2.00 0.01 -0.22 1.61 3.72 -0.29 -4.56 117.46 115.73 2k06 n PHE 18 Ca 0.00 -0.01 -0.01 0.00 -0.05 0.00 0.00 57.45 57.38 2k06 n PHE 18 Cb 0.00 -0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.64 2k06 n PHE 18 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2k06 h GLU 19 N 2.47 0.62 0.01 -1.08 5.08 -1.86 0.12 114.58 119.94 2k06 h GLU 19 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k06 h GLU 19 Cb 0.53 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k06 h GLU 19 CO 0.00 0.41 -0.01 0.78 -1.00 0.00 0.00 179.01 179.19 2k06 h GLY 20 N 0.63 -0.02 0.74 -3.84 0.00 -1.87 -2.27 103.07 96.45 2k06 h GLY 20 Ca 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2k06 h GLY 20 CO -0.20 -0.01 -0.33 -0.09 0.00 0.00 0.00 176.54 175.92 2k06 h ARG 21 N -0.14 -0.71 -1.06 4.80 2.43 -1.70 -1.40 114.38 116.59 2k06 h ARG 21 Ca -0.00 0.05 0.32 0.00 -0.81 0.00 0.00 59.98 59.54 2k06 h ARG 21 Cb 0.14 0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 29.72 2k06 h ARG 21 CO 0.00 -0.48 0.64 0.28 -1.51 0.00 0.00 179.97 178.90 2k06 h VAL 22 N -0.74 0.33 -0.49 0.20 2.07 -0.72 0.72 116.25 117.62 2k06 h VAL 22 Ca -0.04 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2k06 h VAL 22 Cb 0.64 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2k06 h VAL 22 CO -0.01 0.06 0.30 0.00 0.02 0.00 0.00 177.57 177.94 2k06 h ALA 23 N 1.75 0.63 -0.11 1.67 0.00 -0.65 0.19 119.26 122.74 2k06 h ALA 23 Ca 0.72 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.52 2k06 h ALA 23 Cb 1.75 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2k06 h ALA 23 CO -0.51 0.11 -0.10 1.15 0.00 0.00 0.00 179.25 179.91 2k06 h THR 24 N 0.66 1.35 0.42 0.00 2.02 0.72 -2.64 112.91 115.44 2k06 h THR 24 Ca 0.18 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 2k06 h THR 24 Cb -0.01 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2k06 h THR 24 CO -0.03 0.35 -0.32 -1.28 0.37 0.00 0.00 175.52 174.60 2k06 h SER 25 N -0.13 -0.85 -0.67 4.18 0.87 -0.59 0.04 113.55 116.41 2k06 h SER 25 Ca 0.02 0.06 0.14 0.00 -1.23 0.00 0.00 61.79 60.78 2k06 h SER 25 Cb 0.60 0.27 -0.13 0.00 -0.44 0.00 0.00 62.40 62.71 2k06 h SER 25 CO 0.02 -0.48 -0.14 0.25 -0.53 0.00 0.00 176.83 175.95 2k06 h LEU 26 N -0.74 -0.58 -1.49 2.23 5.85 -0.68 0.74 115.31 120.65 2k06 h LEU 26 Ca -0.04 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2k06 h LEU 26 Cb 0.64 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2k06 h LEU 26 CO -0.00 -0.21 0.25 -0.09 -0.34 0.00 0.00 178.44 178.05 2k06 h ARG 27 N 0.01 0.60 -0.14 1.25 2.43 -1.06 0.16 114.38 117.63 2k06 h ARG 27 Ca 0.33 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2k06 h ARG 27 Cb 0.51 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2k06 h ARG 27 CO -0.67 0.43 0.04 1.49 -1.51 0.00 0.00 179.97 179.75 2k06 h GLU 28 N 0.61 0.22 -0.44 0.20 4.81 0.24 0.88 114.58 121.10 2k06 h GLU 28 Ca 0.16 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2k06 h GLU 28 Cb -0.00 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2k06 h GLU 28 CO -0.03 0.36 -0.09 0.45 -0.73 0.00 0.00 179.01 178.97 2k06 h HIS 29 N 0.05 0.86 -0.07 0.92 3.86 -0.57 -2.17 115.15 118.03 2k06 h HIS 29 Ca 0.05 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 2k06 h HIS 29 Cb 0.23 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 2k06 h HIS 29 CO 0.00 0.85 0.01 0.82 0.86 0.00 0.00 177.93 180.47 2k06 h ILE 30 N 0.72 1.22 -1.00 2.45 2.04 -0.73 0.12 117.51 122.31 2k06 h ILE 30 Ca 0.12 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.40 2k06 h ILE 30 Cb 0.57 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 38.12 2k06 h ILE 30 CO 0.04 0.18 0.65 0.11 0.00 0.00 0.00 178.15 179.12 2k06 h LYS 31 N -0.14 1.11 0.10 2.37 1.57 -0.71 2.07 116.57 122.96 2k06 h LYS 31 Ca 0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2k06 h LYS 31 Cb 0.28 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2k06 h LYS 31 CO 0.00 0.74 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.50 2k06 h LEU 32 N 1.15 -0.12 -0.13 2.94 3.38 -1.15 -2.94 115.31 118.44 2k06 h LEU 32 Ca 0.44 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k06 h LEU 32 Cb 0.22 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k06 h LEU 32 CO -0.19 0.36 0.00 1.41 0.09 0.00 0.00 178.44 180.11 2k06 n HIS 33 N -4.93 0.02 -3.71 1.13 8.25 0.39 -4.88 115.22 111.49 2k06 n HIS 33 Ca -0.09 -0.01 -0.23 0.00 -0.26 0.00 0.00 57.72 57.14 2k06 n HIS 33 Cb 0.26 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.41 2k06 n HIS 33 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2k06 n ASN 34 N -0.66 -2.18 -0.88 0.41 3.02 0.66 -4.85 115.26 110.79 2k06 n ASN 34 Ca 0.14 -0.78 0.10 0.00 -0.03 0.00 0.00 54.58 54.01 2k06 n ASN 34 Cb 0.09 -4.19 0.27 0.00 -0.61 0.00 0.00 39.78 35.35 2k06 n ASN 34 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2k06 n MET 35 N -4.37 2.13 -0.14 3.52 2.81 0.11 -4.26 117.12 116.91 2k06 n MET 35 Ca -0.22 -1.72 0.23 0.00 -1.81 0.00 0.00 57.70 54.18 2k06 n MET 35 Cb 0.64 -1.43 0.66 0.00 -0.71 0.00 0.00 33.22 32.38 2k06 n MET 35 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2k06 h GLU 36 N 3.19 0.10 -0.73 0.03 5.08 -1.85 0.16 114.58 120.55 2k06 h GLU 36 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k06 h GLU 36 Cb 0.71 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2k06 h GLU 36 CO 0.00 0.07 0.38 -0.44 -1.00 0.00 0.00 179.01 178.02 2k06 h ASP 37 N 0.10 0.92 0.17 1.42 3.32 -1.96 -3.11 116.42 117.29 2k06 h ASP 37 Ca 0.38 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2k06 h ASP 37 Cb 1.35 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2k06 h ASP 37 CO -0.04 0.77 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.09 2k06 h LEU 38 N 1.01 -0.19 -9.89 1.55 3.38 -1.03 -3.44 115.31 106.70 2k06 h LEU 38 Ca 0.25 -0.34 -0.49 0.00 0.09 0.00 0.00 57.88 57.39 2k06 h LEU 38 Cb 0.06 0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.88 2k06 h LEU 38 CO -0.04 0.31 0.43 -0.36 0.09 0.00 0.00 178.44 178.87 2k06 s PHE 39 N -3.85 3.43 0.09 1.13 0.08 -0.79 -3.05 117.98 115.02 2k06 s PHE 39 Ca -0.14 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2k06 s PHE 39 Cb 0.01 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 2k06 s PHE 39 CO 0.53 -0.53 0.00 0.41 -0.10 0.00 0.00 175.22 175.53 2k06 n GLY 40 N 0.74 -0.04 3.12 4.36 0.00 0.07 -4.74 105.19 108.70 2k06 n GLY 40 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 2k06 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k06 s GLU 41 N -2.00 0.70 0.19 1.61 2.02 -1.25 -4.99 118.70 114.98 2k06 s GLU 41 Ca 0.00 -1.12 0.11 0.00 0.02 0.00 0.00 54.97 53.98 2k06 s GLU 41 Cb 0.00 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 33.99 2k06 s GLU 41 CO 0.00 -0.00 -0.23 0.08 0.02 0.00 0.00 175.26 175.13 2k06 s VAL 42 N -2.86 2.25 0.09 2.63 1.01 -1.26 -0.78 120.40 121.48 2k06 s VAL 42 Ca 0.04 -2.03 0.09 0.00 0.00 0.00 0.00 61.98 60.08 2k06 s VAL 42 Cb 0.00 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2k06 s VAL 42 CO -0.03 -0.17 -0.24 -0.04 0.00 0.00 0.00 175.10 174.61 2k06 s MET 43 N -2.73 1.43 -0.25 2.72 -1.94 0.10 -4.97 119.30 113.67 2k06 s MET 43 Ca 0.20 -1.17 -0.04 0.00 -1.71 0.00 0.00 55.69 52.97 2k06 s MET 43 Cb -0.07 -1.73 0.08 0.00 2.01 0.00 0.00 34.83 35.12 2k06 s MET 43 CO 0.09 0.42 0.10 0.08 -0.01 0.00 0.00 175.02 175.71 2k06 s VAL 44 N -0.97 0.10 -1.07 -6.03 1.01 -1.26 -3.84 120.40 108.34 2k06 s VAL 44 Ca 0.11 -0.64 0.15 0.00 0.00 0.00 0.00 61.98 61.59 2k06 s VAL 44 Cb -0.10 -0.95 0.15 0.00 0.00 0.00 0.00 36.38 35.48 2k06 s VAL 44 CO 0.04 -0.54 1.46 -0.81 0.00 0.00 0.00 175.10 175.25 2k06 n PRO 45 N 5.19 0.04 -2.57 2.72 -0.04 -1.26 -4.76 135.00 134.32 2k06 n PRO 45 Ca -0.06 0.23 -0.39 0.00 -0.04 0.00 0.00 63.50 63.24 2k06 n PRO 45 Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 2k06 n PRO 45 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k06 s THR 46 N -2.93 3.72 0.21 0.52 -4.23 -1.26 -4.94 115.64 106.73 2k06 s THR 46 Ca 0.08 1.56 -0.08 0.00 -1.18 0.00 0.00 61.69 62.07 2k06 s THR 46 Cb 0.10 -3.93 0.14 0.00 1.34 0.00 0.00 72.50 70.15 2k06 s THR 46 CO 0.26 0.24 1.77 -0.33 -0.54 0.00 0.00 174.62 176.02 2k06 h GLU 47 N 3.37 1.15 -3.68 3.99 5.08 -1.94 -3.44 114.58 119.11 2k06 h GLU 47 Ca -0.47 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 57.53 2k06 h GLU 47 Cb 1.21 -0.19 -0.20 0.00 0.50 0.00 0.00 28.75 30.07 2k06 h GLU 47 CO 0.65 0.93 -0.56 -1.21 -1.00 0.00 0.00 179.01 177.83 2k06 s GLU 48 N -5.55 0.44 0.26 2.33 2.02 -1.26 -5.04 118.70 111.90 2k06 s GLU 48 Ca -0.12 -0.50 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 2k06 s GLU 48 Cb 0.15 0.18 0.33 0.00 0.10 0.00 0.00 34.13 34.89 2k06 s GLU 48 CO 0.83 -0.10 1.81 0.28 0.02 0.00 0.00 175.26 178.10 2k06 h VAL 49 N 4.33 1.24 -3.74 2.63 2.07 -2.00 -3.42 116.25 117.35 2k06 h VAL 49 Ca -0.31 -0.82 -0.68 0.00 0.82 0.00 0.00 66.70 65.70 2k06 h VAL 49 Cb 1.20 0.58 -0.19 0.00 -1.52 0.00 0.00 31.29 31.35 2k06 h VAL 49 CO 0.42 0.32 -0.72 -0.69 0.02 0.00 0.00 177.57 176.91 2k06 s VAL 50 N -5.30 3.48 0.27 2.57 1.01 -1.26 -4.80 120.40 116.38 2k06 s VAL 50 Ca -0.10 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 2k06 s VAL 50 Cb 0.15 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 2k06 s VAL 50 CO 0.81 0.50 0.86 -0.70 0.00 0.00 0.00 175.10 176.57 2k06 s GLU 51 N -1.09 4.51 -0.21 2.72 2.12 -1.26 -5.05 118.70 120.45 2k06 s GLU 51 Ca 0.14 1.19 -0.04 0.00 0.36 0.00 0.00 54.97 56.63 2k06 s GLU 51 Cb -0.11 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.44 2k06 s GLU 51 CO 0.04 0.36 0.07 0.42 -0.54 0.00 0.00 175.26 175.61 2k06 s ILE 52 N -1.51 0.25 0.47 -3.70 1.01 -1.26 -4.99 121.20 111.48 2k06 s ILE 52 Ca 0.46 -0.51 0.28 0.00 0.00 0.00 0.00 60.65 60.88 2k06 s ILE 52 Cb -0.19 -0.91 0.48 0.00 0.01 0.00 0.00 42.46 41.85 2k06 s ILE 52 CO 0.24 -0.34 1.78 0.03 0.00 0.00 0.00 174.94 176.65 2k06 h ARG 53 N 8.32 0.17 0.00 2.79 3.08 -2.00 -3.35 114.38 123.39 2k06 h ARG 53 Ca -0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2k06 h ARG 53 Cb 1.11 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2k06 h ARG 53 CO 0.34 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.77 2k06 n GLY 54 N -1.62 1.54 7.00 0.04 0.00 -1.26 -4.88 105.19 106.00 2k06 n GLY 54 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2k06 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k06 n GLY 55 N 5.00 3.45 3.83 -0.02 0.00 -1.26 -4.68 105.19 111.51 2k06 n GLY 55 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2k06 n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k06 s GLN 56 N 0.00 3.05 0.41 1.61 -0.21 -1.26 -4.99 119.66 118.26 2k06 s GLN 56 Ca 0.00 -0.70 0.08 0.00 0.02 0.00 0.00 55.36 54.76 2k06 s GLN 56 Cb 0.00 -2.78 0.86 0.00 1.00 0.00 0.00 33.01 32.09 2k06 s GLN 56 CO 0.00 0.54 2.03 0.00 -2.12 0.00 0.00 175.29 175.74 2k06 h ARG 57 N 2.82 0.56 -6.75 2.91 3.08 -1.96 -3.42 114.38 111.61 2k06 h ARG 57 Ca -0.47 -0.03 -0.57 0.00 0.07 0.00 0.00 59.98 58.97 2k06 h ARG 57 Cb 1.18 -0.13 0.14 0.00 0.08 0.00 0.00 29.97 31.24 2k06 h ARG 57 CO 0.67 0.37 0.24 0.54 -1.07 0.00 0.00 179.97 180.72 2k06 n ARG 58 N -4.47 1.38 -3.63 0.04 1.74 -1.26 -4.95 116.66 105.50 2k06 n ARG 58 Ca 0.06 0.50 -0.37 0.00 -0.77 0.00 0.00 57.85 57.27 2k06 n ARG 58 Cb 0.14 -2.17 -0.07 0.00 -1.02 0.00 0.00 32.46 29.34 2k06 n ARG 58 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2k06 s LYS 59 N -2.27 3.94 0.08 5.56 2.20 -1.26 -5.09 119.74 122.90 2k06 s LYS 59 Ca 0.66 0.09 0.10 0.00 -0.36 0.00 0.00 55.97 56.46 2k06 s LYS 59 Cb -0.50 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 2k06 s LYS 59 CO 0.54 0.51 -0.26 -1.12 -0.36 0.00 0.00 175.35 174.66 2k06 s SER 60 N -0.35 3.26 0.12 1.43 0.01 -1.26 -5.14 113.70 111.78 2k06 s SER 60 Ca 0.17 -0.65 0.10 0.00 1.31 0.00 0.00 55.95 56.88 2k06 s SER 60 Cb -0.14 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 2k06 s SER 60 CO 0.06 0.23 -0.24 -1.61 0.41 0.00 0.00 173.24 172.09 2k06 s GLU 61 N -1.59 1.29 0.00 12.44 2.02 -1.26 -5.02 118.70 126.59 2k06 s GLU 61 Ca 0.13 -1.29 0.18 0.00 0.02 0.00 0.00 54.97 54.01 2k06 s GLU 61 Cb -0.10 -1.67 0.36 0.00 0.10 0.00 0.00 34.13 32.83 2k06 s GLU 61 CO 0.04 0.39 1.29 0.54 0.02 0.00 0.00 175.26 177.53 2k06 n ARG 62 N 0.91 2.31 0.28 1.61 1.74 -1.26 -4.40 116.66 117.84 2k06 n ARG 62 Ca -0.18 -2.09 0.14 0.00 -0.77 0.00 0.00 57.85 54.95 2k06 n ARG 62 Cb 0.54 -1.41 0.83 0.00 -1.02 0.00 0.00 32.46 31.40 2k06 n ARG 62 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k06 h LYS 63 N 3.43 0.00 -0.75 5.56 1.57 -2.02 -1.92 116.57 122.44 2k06 h LYS 63 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2k06 h LYS 63 Cb 0.83 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 2k06 h LYS 63 CO 0.00 0.05 0.50 0.74 -0.57 0.00 0.00 179.45 180.17 2k06 h PHE 64 N 0.00 0.80 -2.73 -1.35 0.04 -2.00 -3.28 116.94 108.43 2k06 h PHE 64 Ca -0.00 0.02 -0.60 0.00 2.80 0.00 0.00 57.97 60.19 2k06 h PHE 64 Cb 0.14 -0.26 -0.40 0.00 2.20 0.00 0.00 35.95 37.63 2k06 h PHE 64 CO 0.00 0.42 -0.78 -0.06 -0.60 0.00 0.00 178.31 177.29 2k06 s PHE 65 N -5.70 2.28 -1.07 -0.55 0.40 -0.72 -5.02 117.98 107.60 2k06 s PHE 65 Ca -0.10 -2.80 -0.22 0.00 -0.60 0.00 0.00 56.93 53.21 2k06 s PHE 65 Cb 0.19 -1.79 -0.10 0.00 0.51 0.00 0.00 43.02 41.84 2k06 s PHE 65 CO 0.78 -0.69 1.92 -0.35 0.70 0.00 0.00 175.22 177.57 2k06 n PRO 66 N 2.48 1.69 -2.34 0.24 -0.04 -1.24 -3.62 135.00 132.17 2k06 n PRO 66 Ca 0.24 -2.33 -0.05 0.00 -0.04 0.00 0.00 63.50 61.32 2k06 n PRO 66 Cb 0.41 -3.46 0.01 0.00 -0.04 0.00 0.00 33.50 30.42 2k06 n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k06 n GLY 67 N 5.34 0.33 3.33 0.55 0.00 -1.26 -4.23 105.19 109.25 2k06 n GLY 67 Ca 0.47 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2k06 n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k06 s TYR 68 N -2.56 2.99 -0.00 1.61 1.51 -1.24 0.18 117.35 119.84 2k06 s TYR 68 Ca 0.05 -0.89 0.02 0.00 -1.01 0.00 0.00 57.07 55.25 2k06 s TYR 68 Cb -0.02 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 2k06 s TYR 68 CO 0.06 -0.53 -0.08 0.08 -1.11 0.00 0.00 175.55 173.98 2k06 s VAL 69 N 1.49 0.61 -0.07 0.71 1.01 -0.37 -4.62 120.40 119.17 2k06 s VAL 69 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2k06 s VAL 69 Cb -0.15 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2k06 s VAL 69 CO -0.02 0.14 0.06 -0.76 0.00 0.00 0.00 175.10 174.52 2k06 s LEU 70 N -0.27 3.89 -0.10 3.92 1.02 -1.25 0.16 118.68 126.05 2k06 s LEU 70 Ca 0.02 0.23 -0.04 0.00 0.02 0.00 0.00 54.13 54.36 2k06 s LEU 70 Cb -0.03 -2.03 0.05 0.00 0.02 0.00 0.00 46.19 44.20 2k06 s LEU 70 CO -0.00 0.35 0.21 -0.69 0.02 0.00 0.00 176.35 176.24 2k06 s VAL 71 N -1.02 -0.23 -0.05 -1.59 1.01 -0.66 0.03 120.40 117.89 2k06 s VAL 71 Ca 0.17 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 2k06 s VAL 71 Cb -0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2k06 s VAL 71 CO 0.07 0.11 1.27 -1.58 0.00 0.00 0.00 175.10 174.96 2k06 s GLN 72 N 1.95 4.32 -0.15 2.72 0.74 0.04 -2.66 119.66 126.63 2k06 s GLN 72 Ca -0.02 1.76 -0.30 0.00 0.05 0.00 0.00 55.36 56.85 2k06 s GLN 72 Cb -0.12 -3.58 0.13 0.00 1.10 0.00 0.00 33.01 30.54 2k06 s GLN 72 CO -0.07 -0.50 1.01 1.41 -0.55 0.00 0.00 175.29 176.58 2k06 s MET 73 N 2.36 0.59 -0.22 1.67 1.75 -0.17 -0.75 119.30 124.52 2k06 s MET 73 Ca 0.58 0.08 -0.29 0.00 -1.25 0.00 0.00 55.69 54.81 2k06 s MET 73 Cb -0.27 0.28 0.00 0.00 2.84 0.00 0.00 34.83 37.68 2k06 s MET 73 CO 0.23 -0.20 1.17 0.14 -0.65 0.00 0.00 175.02 175.71 2k06 s VAL 74 N -1.38 4.43 -0.09 10.11 -7.23 -1.17 -4.10 120.40 120.97 2k06 s VAL 74 Ca -0.00 1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 61.59 2k06 s VAL 74 Cb -0.01 -4.18 -0.07 0.00 0.56 0.00 0.00 36.38 32.69 2k06 s VAL 74 CO -0.00 -0.23 2.00 -0.04 -0.31 0.00 0.00 175.10 176.51 2k06 s MET 75 N 3.49 3.74 0.28 4.82 -1.94 -1.26 -4.74 119.30 123.69 2k06 s MET 75 Ca 0.50 2.26 -0.10 0.00 -1.71 0.00 0.00 55.69 56.64 2k06 s MET 75 Cb -0.18 -4.21 0.00 0.00 2.01 0.00 0.00 34.83 32.45 2k06 s MET 75 CO 0.13 -1.40 0.49 0.54 -0.01 0.00 0.00 175.02 174.77 2k06 s ASN 76 N 5.73 0.16 0.36 3.03 4.22 -1.26 -4.98 114.94 122.20 2k06 s ASN 76 Ca 0.90 -1.09 0.06 0.00 -2.14 0.00 0.00 52.86 50.59 2k06 s ASN 76 Cb -0.37 0.62 0.69 0.00 1.28 0.00 0.00 41.25 43.48 2k06 s ASN 76 CO 0.37 -1.22 1.92 -0.78 -2.04 0.00 0.00 177.10 175.35 2k06 h ASP 77 N 2.21 0.42 0.00 3.54 3.58 -1.98 -0.60 116.42 123.59 2k06 h ASP 77 Ca -0.27 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2k06 h ASP 77 Cb 1.25 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2k06 h ASP 77 CO 0.37 0.48 0.00 0.00 -2.88 0.00 0.00 179.24 177.21 2k06 n ALA 78 N -2.48 -0.16 -0.13 -0.78 0.00 -1.26 -2.04 120.51 113.65 2k06 n ALA 78 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2k06 n ALA 78 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 2k06 n ALA 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k06 h SER 79 N 0.00 -1.54 -0.74 0.00 4.64 -1.85 0.40 113.55 114.45 2k06 h SER 79 Ca 0.00 0.23 0.12 0.00 -0.47 0.00 0.00 61.79 61.67 2k06 h SER 79 Cb 0.00 0.66 -0.13 0.00 -0.31 0.00 0.00 62.40 62.62 2k06 h SER 79 CO 0.00 -0.38 -0.35 -0.25 -0.87 0.00 0.00 176.83 174.98 2k06 h TRP 80 N -0.34 -0.96 -0.56 4.77 7.01 -1.24 0.34 115.95 124.96 2k06 h TRP 80 Ca 0.12 0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 2k06 h TRP 80 Cb 0.59 0.53 -0.03 0.00 -2.10 0.00 0.00 29.16 28.15 2k06 h TRP 80 CO -0.65 -0.39 0.26 1.25 -2.79 0.00 0.00 178.44 176.12 2k06 h HIS 81 N -0.10 0.81 -0.76 2.65 2.76 -0.47 -2.41 115.15 117.63 2k06 h HIS 81 Ca 0.28 -0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 2k06 h HIS 81 Cb 0.57 -0.25 -0.07 0.00 1.55 0.00 0.00 27.41 29.21 2k06 h HIS 81 CO -0.72 0.63 0.43 1.25 -1.30 0.00 0.00 177.93 178.22 2k06 h LEU 82 N 0.76 0.62 0.20 0.26 6.46 0.33 -0.85 115.31 123.09 2k06 h LEU 82 Ca 0.19 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2k06 h LEU 82 Cb 0.13 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 2k06 h LEU 82 CO -0.02 0.37 -0.10 0.58 -0.62 0.00 0.00 178.44 178.65 2k06 h VAL 83 N 0.75 0.82 -0.73 1.05 2.07 -0.21 -2.24 116.25 117.76 2k06 h VAL 83 Ca 0.36 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.89 2k06 h VAL 83 Cb 0.29 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2k06 h VAL 83 CO -0.22 0.02 0.48 -0.09 0.02 0.00 0.00 177.57 177.78 2k06 h ARG 84 N -0.33 0.53 -0.74 1.57 2.43 -0.95 0.17 114.38 117.06 2k06 h ARG 84 Ca -0.03 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2k06 h ARG 84 Cb 0.25 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2k06 h ARG 84 CO 0.05 0.35 0.49 0.77 -1.51 0.00 0.00 179.97 180.12 2k06 h SER 85 N 0.54 0.82 -2.14 -3.80 0.02 -0.57 -3.42 113.55 105.01 2k06 h SER 85 Ca 0.34 -0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 60.68 2k06 h SER 85 Cb 0.60 -0.20 0.04 0.00 0.14 0.00 0.00 62.40 62.98 2k06 h SER 85 CO -0.12 0.59 0.92 0.52 -1.14 0.00 0.00 176.83 177.60 2k06 n VAL 86 N -4.43 0.26 -1.34 2.27 0.31 0.05 -4.94 118.33 110.50 2k06 n VAL 86 Ca 0.09 -0.05 -0.31 0.00 -0.01 0.00 0.00 64.34 64.06 2k06 n VAL 86 Cb 0.06 -1.66 0.08 0.00 -0.91 0.00 0.00 33.84 31.41 2k06 n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2k06 s PRO 87 N 2.32 2.39 -1.44 5.55 0.04 -1.26 -3.67 135.00 138.93 2k06 s PRO 87 Ca 0.85 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 2k06 s PRO 87 Cb -0.70 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2k06 s PRO 87 CO 0.44 -1.52 0.08 0.54 0.04 0.00 0.00 177.00 176.58 2k06 n ARG 88 N -3.43 -1.78 -4.56 4.56 5.12 -1.26 -4.77 116.66 110.54 2k06 n ARG 88 Ca 0.09 0.82 -0.24 0.00 -1.93 0.00 0.00 57.85 56.59 2k06 n ARG 88 Cb 0.53 -5.29 -0.16 0.00 -1.16 0.00 0.00 32.46 26.38 2k06 n ARG 88 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2k06 s VAL 89 N -2.89 1.08 -0.09 1.55 0.11 -1.24 -3.37 120.40 115.56 2k06 s VAL 89 Ca 0.04 -0.46 -0.17 0.00 -2.93 0.00 0.00 61.98 58.46 2k06 s VAL 89 Cb -0.02 -0.99 -0.14 0.00 -1.53 0.00 0.00 36.38 33.70 2k06 s VAL 89 CO 0.05 0.34 0.61 0.24 -3.33 0.00 0.00 175.10 173.01 2k06 h MET 90 N 6.91 -0.12 0.00 1.54 2.86 -0.93 -3.47 114.93 121.72 2k06 h MET 90 Ca -0.32 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2k06 h MET 90 Cb 1.18 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2k06 h MET 90 CO 0.48 0.34 0.00 0.41 1.06 0.00 0.00 176.91 179.19 2k06 n GLY 91 N 1.15 -0.60 3.85 8.32 0.00 -1.14 -4.98 105.19 111.78 2k06 n GLY 91 Ca -0.06 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 2k06 n GLY 91 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k06 s PHE 92 N -3.99 3.06 -0.16 1.61 0.08 -1.26 0.52 117.98 117.83 2k06 s PHE 92 Ca 0.00 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 56.89 2k06 s PHE 92 Cb 0.00 -1.56 0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2k06 s PHE 92 CO 0.00 0.39 -0.20 0.42 -0.10 0.00 0.00 175.22 175.72 2k06 s ILE 93 N -2.19 2.03 0.00 0.64 -1.09 -1.18 -4.75 121.20 114.66 2k06 s ILE 93 Ca 0.36 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2k06 s ILE 93 Cb -0.07 -1.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 2k06 s ILE 93 CO 0.26 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.12 2k06 n GLY 94 N 4.40 0.97 0.18 6.18 0.00 -1.26 -4.33 105.19 111.32 2k06 n GLY 94 Ca -0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2k06 n GLY 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k06 h GLY 95 N 0.00 0.61 -2.05 -0.02 0.00 -1.89 -3.45 103.07 96.26 2k06 h GLY 95 Ca 0.00 -0.34 -0.44 0.00 0.00 0.00 0.00 47.33 46.55 2k06 h GLY 95 CO 0.00 0.32 -0.60 -0.51 0.00 0.00 0.00 176.54 175.75 2k06 s THR 96 N -5.48 0.88 -1.11 4.70 -4.23 -1.24 -5.02 115.64 104.14 2k06 s THR 96 Ca -0.13 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.45 2k06 s THR 96 Cb 0.10 -2.68 0.35 0.00 1.34 0.00 0.00 72.50 71.60 2k06 s THR 96 CO 0.75 0.00 1.13 -1.54 -0.54 0.00 0.00 174.62 174.42 2k06 n SER 97 N -0.69 2.70 0.00 3.99 3.41 -1.26 -3.70 113.62 118.07 2k06 n SER 97 Ca -0.02 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 2k06 n SER 97 Cb 0.66 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2k06 n SER 97 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k06 n ASP 98 N 0.35 3.59 -3.52 4.04 8.00 -1.26 -4.63 116.55 123.13 2k06 n ASP 98 Ca 0.12 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 2k06 n ASP 98 Cb 0.55 0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 41.97 2k06 n ASP 98 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2k06 s ARG 99 N -1.64 0.28 0.07 -1.24 0.52 -1.24 -5.06 118.95 110.64 2k06 s ARG 99 Ca 0.00 -0.71 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 2k06 s ARG 99 Cb 0.00 -1.18 -0.08 0.00 0.52 0.00 0.00 34.95 34.21 2k06 s ARG 99 CO 0.00 -1.07 1.49 -1.25 0.02 0.00 0.00 175.30 174.50 2k06 s PRO 100 N 1.86 4.26 0.30 3.54 0.04 -1.26 -3.60 135.00 140.15 2k06 s PRO 100 Ca 0.11 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 63.01 2k06 s PRO 100 Cb -0.18 -3.44 -0.10 0.00 0.04 0.00 0.00 34.50 30.83 2k06 s PRO 100 CO -0.28 -0.59 1.31 0.00 0.04 0.00 0.00 177.00 177.48 2k06 s ALA 101 N 1.94 3.51 0.62 8.56 0.00 -1.26 -4.85 121.76 130.28 2k06 s ALA 101 Ca 0.68 1.22 -0.16 0.00 0.00 0.00 0.00 51.96 53.70 2k06 s ALA 101 Cb -0.37 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 2k06 s ALA 101 CO 0.30 -0.60 1.11 -1.25 0.00 0.00 0.00 175.76 175.31 2k06 s PRO 102 N -1.33 3.02 0.21 0.00 0.04 -1.26 -4.85 135.00 130.82 2k06 s PRO 102 Ca 0.51 1.42 0.07 0.00 0.04 0.00 0.00 61.00 63.04 2k06 s PRO 102 Cb -0.39 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 2k06 s PRO 102 CO 0.49 -1.08 -0.12 0.96 0.04 0.00 0.00 177.00 177.29 2k06 s ILE 103 N -2.21 1.59 0.53 0.56 -4.36 -1.24 -5.04 121.20 111.03 2k06 s ILE 103 Ca 0.68 -2.16 -0.19 0.00 -0.26 0.00 0.00 60.65 58.71 2k06 s ILE 103 Cb -0.21 -2.09 -0.06 0.00 1.25 0.00 0.00 42.46 41.35 2k06 s ILE 103 CO 0.37 -0.56 1.09 -0.44 0.24 0.00 0.00 174.94 175.64 2k06 s SER 104 N -3.31 5.90 0.32 4.36 0.01 -1.26 -4.41 113.70 115.32 2k06 s SER 104 Ca 0.23 2.06 0.03 0.00 1.31 0.00 0.00 55.95 59.58 2k06 s SER 104 Cb 0.01 -2.57 0.62 0.00 0.21 0.00 0.00 66.02 64.29 2k06 s SER 104 CO 0.07 -1.09 1.91 0.44 0.41 0.00 0.00 173.24 174.98 2k06 h ASP 105 N 1.21 0.82 -0.39 2.44 3.32 -1.98 0.13 116.42 121.98 2k06 h ASP 105 Ca -0.49 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 2k06 h ASP 105 Cb 1.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2k06 h ASP 105 CO 0.57 0.51 0.24 0.50 -1.72 0.00 0.00 179.24 179.35 2k06 h LYS 106 N 0.92 0.53 -0.83 3.56 3.64 -2.00 -1.78 116.57 120.60 2k06 h LYS 106 Ca 0.38 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 2k06 h LYS 106 Cb 0.29 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 2k06 h LYS 106 CO -0.15 0.37 0.54 0.93 -2.27 0.00 0.00 179.45 178.87 2k06 h GLU 107 N 0.54 1.04 -0.49 1.90 4.39 -1.32 -1.23 114.58 119.41 2k06 h GLU 107 Ca 0.14 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2k06 h GLU 107 Cb -0.03 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.36 2k06 h GLU 107 CO -0.03 0.69 0.13 0.28 -1.16 0.00 0.00 179.01 178.92 2k06 h VAL 108 N 1.07 1.21 -0.51 3.13 2.07 -1.29 -2.01 116.25 119.92 2k06 h VAL 108 Ca 0.32 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 2k06 h VAL 108 Cb -0.04 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2k06 h VAL 108 CO -0.10 0.27 -0.08 0.44 0.02 0.00 0.00 177.57 178.13 2k06 h ASP 109 N 0.72 0.92 -0.16 0.57 3.32 -1.06 -2.83 116.42 117.90 2k06 h ASP 109 Ca 0.16 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2k06 h ASP 109 Cb 0.25 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2k06 h ASP 109 CO -0.00 1.03 0.04 0.00 -1.72 0.00 0.00 179.24 178.58 2k06 h ALA 110 N 1.06 0.22 -0.40 3.45 0.00 -0.77 -1.83 119.26 120.98 2k06 h ALA 110 Ca 0.14 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2k06 h ALA 110 Cb 0.61 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2k06 h ALA 110 CO 0.04 -0.14 -0.18 0.82 0.00 0.00 0.00 179.25 179.79 2k06 h ILE 111 N 0.07 0.45 -0.58 0.00 2.04 -1.27 0.18 117.51 118.40 2k06 h ILE 111 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2k06 h ILE 111 Cb 0.27 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2k06 h ILE 111 CO 0.00 0.00 0.37 0.24 0.00 0.00 0.00 178.15 178.76 2k06 h MET 112 N -0.10 0.77 -0.24 2.37 2.86 -1.37 -1.03 114.93 118.19 2k06 h MET 112 Ca 0.20 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2k06 h MET 112 Cb 0.40 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2k06 h MET 112 CO -0.47 0.53 0.06 -0.91 1.06 0.00 0.00 176.91 177.18 2k06 h ASN 113 N 0.79 0.31 -0.13 1.22 2.35 0.18 -2.62 115.58 117.68 2k06 h ASN 113 Ca 0.21 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.96 2k06 h ASN 113 Cb -0.06 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2k06 h ASN 113 CO -0.04 0.32 -0.08 0.03 -1.65 0.00 0.00 177.43 176.00 2k06 h ARG 114 N 0.34 -0.07 -0.81 0.81 3.08 -0.03 0.36 114.38 118.06 2k06 h ARG 114 Ca 0.08 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.33 2k06 h ARG 114 Cb 0.13 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.05 2k06 h ARG 114 CO -0.00 -0.05 -0.03 1.25 -1.07 0.00 0.00 179.97 180.07 2k06 h LEU 115 N -0.08 -0.45 -0.87 3.04 5.85 -1.50 0.89 115.31 122.20 2k06 h LEU 115 Ca 0.08 0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.90 2k06 h LEU 115 Cb 0.19 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2k06 h LEU 115 CO -0.18 -0.22 -0.55 1.56 -0.34 0.00 0.00 178.44 178.70 2k06 h GLN 116 N 0.07 0.00 -6.51 1.25 4.20 -1.41 -3.43 115.11 109.29 2k06 h GLN 116 Ca 0.44 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.62 2k06 h GLN 116 Cb 0.79 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 2k06 h GLN 116 CO -0.74 0.55 0.51 -1.14 -0.67 0.00 0.00 178.83 177.34 2k06 s GLN 117 N -3.72 4.49 0.25 1.46 0.74 0.31 -4.92 119.66 118.26 2k06 s GLN 117 Ca -0.01 1.70 -0.00 0.00 0.05 0.00 0.00 55.36 57.09 2k06 s GLN 117 Cb 0.13 -3.35 0.29 0.00 1.10 0.00 0.00 33.01 31.18 2k06 s GLN 117 CO 0.75 -0.15 1.66 0.28 -0.55 0.00 0.00 175.29 177.28 2k06 h VAL 118 N 4.40 1.28 -1.37 1.34 2.07 -1.83 -3.46 116.25 118.67 2k06 h VAL 118 Ca -0.42 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2k06 h VAL 118 Cb 1.21 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2k06 h VAL 118 CO 0.78 0.44 0.00 0.61 0.02 0.00 0.00 177.57 179.42 2k06 n GLY 119 N -0.23 0.67 0.37 2.17 0.00 -1.26 -4.94 105.19 101.96 2k06 n GLY 119 Ca -0.01 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.62 2k06 n GLY 119 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k06 h ASP 120 N 0.00 0.65 -5.83 1.61 3.32 -2.02 -3.46 116.42 110.69 2k06 h ASP 120 Ca 0.00 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 2k06 h ASP 120 Cb 0.87 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 40.33 2k06 h ASP 120 CO 0.00 0.37 -0.43 1.17 -1.72 0.00 0.00 179.24 178.63 2k06 n LYS 121 N -4.52 -1.42 -2.27 3.56 3.00 -1.26 -4.92 118.16 110.33 2k06 n LYS 121 Ca 0.15 1.17 -0.37 0.00 -0.00 0.00 0.00 58.31 59.26 2k06 n LYS 121 Cb 0.37 -4.68 -0.01 0.00 0.00 0.00 0.00 35.03 30.72 2k06 n LYS 121 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2k06 s PRO 122 N -3.88 3.71 0.00 1.64 0.04 -1.26 -5.31 135.00 129.93 2k06 s PRO 122 Ca 0.07 1.74 0.20 0.00 0.04 0.00 0.00 61.00 63.05 2k06 s PRO 122 Cb -0.02 -2.34 0.16 0.00 0.04 0.00 0.00 34.50 32.34 2k06 s PRO 122 CO 0.80 -0.59 1.15 0.54 0.04 0.00 0.00 177.00 178.94