#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 -3.35 7.83 4.64 -2.02 -3.42 113.55 117.22 2k06 h SER 2 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2k06 h SER 2 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2k06 h SER 2 CO 0.00 0.04 -0.16 -1.61 -0.87 0.00 0.00 176.83 174.24 2k06 s GLU 3 N -4.19 3.74 -1.00 4.77 2.02 -1.26 -4.41 118.70 118.38 2k06 s GLU 3 Ca -0.03 0.17 -0.07 0.00 0.02 0.00 0.00 54.97 55.05 2k06 s GLU 3 Cb 0.13 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 2k06 s GLU 3 CO 0.52 0.33 0.85 0.00 0.02 0.00 0.00 175.26 176.98 2k06 n ALA 4 N -0.22 -2.51 0.30 5.21 0.00 -1.26 -4.87 120.51 117.16 2k06 n ALA 4 Ca -0.00 0.05 0.17 0.00 0.00 0.00 0.00 53.44 53.65 2k06 n ALA 4 Cb 0.52 -4.67 0.67 0.00 0.00 0.00 0.00 19.45 15.97 2k06 n ALA 4 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k06 h PRO 5 N -0.90 0.00 -6.63 0.00 0.13 -1.81 -3.44 132.00 119.35 2k06 h PRO 5 Ca -0.50 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.12 2k06 h PRO 5 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k06 h PRO 5 CO 0.42 0.00 -0.05 0.15 -0.23 0.00 0.00 178.00 178.28 2k06 s LYS 6 N -3.62 3.64 0.19 0.86 -0.14 -1.26 -5.06 119.74 114.35 2k06 s LYS 6 Ca 0.02 0.10 -0.27 0.00 -1.36 0.00 0.00 55.97 54.46 2k06 s LYS 6 Cb 0.09 -2.55 -0.08 0.00 -1.68 0.00 0.00 37.83 33.60 2k06 s LYS 6 CO 0.52 0.10 0.84 0.15 -0.76 0.00 0.00 175.35 176.19 2k06 s LYS 7 N -3.84 4.67 0.18 1.68 1.02 -1.26 -4.89 119.74 117.30 2k06 s LYS 7 Ca 0.46 1.28 0.10 0.00 0.02 0.00 0.00 55.97 57.83 2k06 s LYS 7 Cb -0.10 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2k06 s LYS 7 CO 0.33 0.55 -0.21 1.03 -0.92 0.00 0.00 175.35 176.12 2k06 s ARG 8 N -1.14 1.41 -0.03 1.68 0.52 -1.25 -4.96 118.95 115.18 2k06 s ARG 8 Ca 0.38 -1.48 -0.15 0.00 -0.52 0.00 0.00 55.73 53.96 2k06 s ARG 8 Cb -0.24 -1.61 -0.05 0.00 0.52 0.00 0.00 34.95 33.56 2k06 s ARG 8 CO 0.28 0.34 0.40 -1.58 0.02 0.00 0.00 175.30 174.76 2k06 s TRP 9 N -1.86 3.67 0.20 -0.53 0.52 -1.26 -1.02 118.94 118.66 2k06 s TRP 9 Ca 0.19 0.93 0.03 0.00 0.02 0.00 0.00 56.10 57.27 2k06 s TRP 9 Cb -0.07 -2.32 -0.05 0.00 -1.15 0.00 0.00 33.47 29.88 2k06 s TRP 9 CO 0.09 0.54 -0.02 0.71 0.02 0.00 0.00 176.95 178.29 2k06 s TYR 10 N -0.70 1.44 -0.11 -1.98 2.02 -1.17 -3.61 117.35 113.24 2k06 s TYR 10 Ca 0.23 -0.90 -0.08 0.00 -0.37 0.00 0.00 57.07 55.95 2k06 s TYR 10 Cb -0.16 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 2k06 s TYR 10 CO 0.12 -0.04 0.17 0.08 -1.57 0.00 0.00 175.55 174.31 2k06 s VAL 11 N -3.44 5.45 -0.16 0.71 1.01 -1.26 -2.31 120.40 120.39 2k06 s VAL 11 Ca 0.25 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.52 2k06 s VAL 11 Cb 0.05 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 33.02 2k06 s VAL 11 CO 0.06 0.61 -0.16 -0.69 0.00 0.00 0.00 175.10 174.92 2k06 s VAL 12 N -1.02 1.77 0.03 2.92 1.01 0.58 -2.84 120.40 122.84 2k06 s VAL 12 Ca 0.16 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 2k06 s VAL 12 Cb -0.13 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 2k06 s VAL 12 CO 0.05 0.47 0.66 -1.58 0.00 0.00 0.00 175.10 174.70 2k06 s GLN 13 N 1.40 4.38 0.08 2.72 0.74 0.25 -1.60 119.66 127.63 2k06 s GLN 13 Ca 0.04 0.87 -0.02 0.00 0.05 0.00 0.00 55.36 56.30 2k06 s GLN 13 Cb -0.13 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 2k06 s GLN 13 CO -0.11 0.37 0.03 0.00 -0.55 0.00 0.00 175.29 175.03 2k06 s ALA 14 N -0.26 0.45 0.63 1.58 0.00 -0.98 0.22 121.76 123.40 2k06 s ALA 14 Ca 0.34 -1.16 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 2k06 s ALA 14 Cb -0.19 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2k06 s ALA 14 CO 0.20 -0.43 1.14 1.19 0.00 0.00 0.00 175.76 177.86 2k06 n PHE 15 N 0.03 1.41 -2.37 0.00 3.72 -1.26 -3.95 117.46 115.04 2k06 n PHE 15 Ca -0.12 0.42 -0.37 0.00 -0.05 0.00 0.00 57.45 57.33 2k06 n PHE 15 Cb 0.62 -2.21 -0.02 0.00 -0.94 0.00 0.00 39.48 36.93 2k06 n PHE 15 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k06 s SER 16 N -1.34 6.44 0.00 4.37 0.15 -1.26 -2.34 113.70 119.72 2k06 s SER 16 Ca 0.80 2.21 0.00 0.00 0.70 0.00 0.00 55.95 59.66 2k06 s SER 16 Cb -0.39 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.32 2k06 s SER 16 CO 0.43 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2k06 n GLY 17 N 0.43 2.48 0.71 9.45 0.00 -1.26 -4.64 105.19 112.35 2k06 n GLY 17 Ca 0.06 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.38 -0.27 1.61 3.72 -1.16 -4.58 117.46 117.17 2k06 n PHE 18 Ca 0.00 -0.33 0.06 0.00 -0.05 0.00 0.00 57.45 57.13 2k06 n PHE 18 Cb 0.00 -0.01 0.20 0.00 -0.94 0.00 0.00 39.48 38.72 2k06 n PHE 18 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2k06 h GLU 19 N 2.58 0.48 0.28 -1.08 4.11 -1.73 1.22 114.58 120.45 2k06 h GLU 19 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2k06 h GLU 19 Cb 0.72 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k06 h GLU 19 CO 0.00 0.31 -0.14 0.78 0.07 0.00 0.00 179.01 180.04 2k06 h GLY 20 N 0.49 -0.40 0.88 1.06 0.00 -1.90 -2.83 103.07 100.37 2k06 h GLY 20 Ca 0.43 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.94 2k06 h GLY 20 CO -0.39 -0.14 0.62 -0.09 0.00 0.00 0.00 176.54 176.54 2k06 h ARG 21 N -0.74 1.17 -0.53 4.80 2.43 -1.67 -2.14 114.38 117.69 2k06 h ARG 21 Ca -0.04 -0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.17 2k06 h ARG 21 Cb 0.50 -0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 29.69 2k06 h ARG 21 CO 0.06 0.77 -0.02 0.28 -1.51 0.00 0.00 179.97 179.56 2k06 h VAL 22 N 1.21 0.56 -0.95 0.20 2.07 0.16 0.18 116.25 119.67 2k06 h VAL 22 Ca 0.38 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.97 2k06 h VAL 22 Cb 0.00 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.14 2k06 h VAL 22 CO -0.12 0.02 0.59 0.00 0.02 0.00 0.00 177.57 178.07 2k06 h ALA 23 N 1.49 1.39 -0.64 1.67 0.00 -1.13 -0.57 119.26 121.47 2k06 h ALA 23 Ca 0.27 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2k06 h ALA 23 Cb 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k06 h ALA 23 CO -0.47 0.23 0.04 1.15 0.00 0.00 0.00 179.25 180.21 2k06 h THR 24 N 0.97 1.27 -0.44 0.00 2.02 -0.60 -2.87 112.91 113.26 2k06 h THR 24 Ca 0.46 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.55 2k06 h THR 24 Cb 0.39 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 2k06 h THR 24 CO -0.24 0.41 0.22 0.28 0.37 0.00 0.00 175.52 176.56 2k06 h SER 25 N 1.01 0.33 -0.01 4.18 0.02 0.53 -2.63 113.55 116.97 2k06 h SER 25 Ca 0.19 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 2k06 h SER 25 Cb 0.52 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 2k06 h SER 25 CO 0.02 0.23 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.52 2k06 h LEU 26 N 0.45 -1.07 -0.99 5.07 3.38 -1.15 -0.20 115.31 120.79 2k06 h LEU 26 Ca 0.19 0.14 0.35 0.00 0.09 0.00 0.00 57.88 58.65 2k06 h LEU 26 Cb 0.09 0.43 -0.16 0.00 0.09 0.00 0.00 40.66 41.10 2k06 h LEU 26 CO -0.13 -0.41 0.50 -0.09 0.09 0.00 0.00 178.44 178.40 2k06 h ARG 27 N -0.50 0.16 -0.92 1.13 2.43 -1.33 1.46 114.38 116.80 2k06 h ARG 27 Ca 0.06 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2k06 h ARG 27 Cb 0.59 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 2k06 h ARG 27 CO -0.29 0.10 0.61 0.93 -1.51 0.00 0.00 179.97 179.81 2k06 h GLU 28 N 0.16 1.13 0.00 0.20 5.08 -0.88 0.07 114.58 120.34 2k06 h GLU 28 Ca 0.76 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 2k06 h GLU 28 Cb 1.84 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2k06 h GLU 28 CO -0.70 0.75 -0.22 0.45 -1.00 0.00 0.00 179.01 178.30 2k06 h HIS 29 N 1.17 0.00 -0.01 4.33 3.86 0.20 -2.41 115.15 122.30 2k06 h HIS 29 Ca 0.37 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.54 2k06 h HIS 29 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2k06 h HIS 29 CO -0.00 0.00 -0.15 0.82 0.86 0.00 0.00 177.93 179.46 2k06 h ILE 30 N 0.00 1.56 -0.24 2.45 1.08 0.84 -0.93 117.51 122.27 2k06 h ILE 30 Ca 0.00 -1.86 -0.17 0.00 -0.39 0.00 0.00 64.86 62.44 2k06 h ILE 30 Cb 0.99 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.50 2k06 h ILE 30 CO 0.00 0.50 -0.51 0.50 -0.69 0.00 0.00 178.15 177.96 2k06 h LYS 31 N -0.58 0.77 -0.20 2.37 3.64 -1.15 0.91 116.57 122.34 2k06 h LYS 31 Ca -0.02 -0.51 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 2k06 h LYS 31 Cb 0.90 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2k06 h LYS 31 CO 0.03 1.13 0.06 -0.07 -2.27 0.00 0.00 179.45 178.34 2k06 h LEU 32 N 0.51 0.28 -0.54 5.20 3.38 -1.52 -1.94 115.31 120.68 2k06 h LEU 32 Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2k06 h LEU 32 Cb 1.11 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2k06 h LEU 32 CO 0.11 0.41 0.00 1.41 0.09 0.00 0.00 178.44 180.46 2k06 n HIS 33 N -4.80 0.19 -3.95 1.13 8.25 -0.35 -4.89 115.22 110.80 2k06 n HIS 33 Ca -0.04 -0.09 -0.26 0.00 -0.26 0.00 0.00 57.72 57.07 2k06 n HIS 33 Cb 0.15 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 2k06 n HIS 33 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2k06 n ASN 34 N -0.09 -0.94 -0.77 0.41 5.15 -0.12 -4.84 115.26 114.07 2k06 n ASN 34 Ca 0.06 -0.97 0.10 0.00 -0.60 0.00 0.00 54.58 53.17 2k06 n ASN 34 Cb 0.13 -3.19 0.07 0.00 -0.53 0.00 0.00 39.78 36.27 2k06 n ASN 34 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2k06 n MET 35 N -4.40 1.81 -0.41 1.20 2.81 0.30 -4.48 117.12 113.95 2k06 n MET 35 Ca -0.25 -1.62 0.33 0.00 -1.81 0.00 0.00 57.70 54.35 2k06 n MET 35 Cb 0.66 -1.39 0.61 0.00 -0.71 0.00 0.00 33.22 32.39 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 3.79 0.16 -0.13 0.03 5.08 -1.84 0.41 114.58 122.07 2k06 h GLU 36 Ca 0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2k06 h GLU 36 Cb 0.83 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2k06 h GLU 36 CO 0.00 0.10 -0.05 -0.44 -1.00 0.00 0.00 179.01 177.62 2k06 h ASP 37 N 0.16 -0.17 -0.04 1.42 3.32 -1.92 -2.99 116.42 116.19 2k06 h ASP 37 Ca 0.76 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.83 2k06 h ASP 37 Cb 2.29 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.95 2k06 h ASP 37 CO -0.39 -0.07 -0.08 -0.07 -1.72 0.00 0.00 179.24 176.91 2k06 h LEU 38 N -0.03 0.15 -9.88 1.55 4.07 -0.60 -3.44 115.31 107.14 2k06 h LEU 38 Ca 0.07 -0.56 -0.51 0.00 0.08 0.00 0.00 57.88 56.96 2k06 h LEU 38 Cb 0.13 -0.04 0.05 0.00 1.08 0.00 0.00 40.66 41.88 2k06 h LEU 38 CO -0.15 0.68 0.54 -0.36 -1.08 0.00 0.00 178.44 178.07 2k06 s PHE 39 N -3.97 3.22 0.00 1.13 0.40 -0.26 -2.73 117.98 115.77 2k06 s PHE 39 Ca -0.16 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.72 2k06 s PHE 39 Cb 0.02 -3.46 0.00 0.00 0.51 0.00 0.00 43.02 40.09 2k06 s PHE 39 CO 0.71 -1.27 0.00 0.41 0.70 0.00 0.00 175.22 175.77 2k06 n GLY 40 N 0.86 -0.40 3.51 4.36 0.00 0.16 -4.73 105.19 108.95 2k06 n GLY 40 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2k06 n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k06 s GLU 41 N -0.99 0.95 -0.06 1.61 2.12 -1.26 -4.93 118.70 116.14 2k06 s GLU 41 Ca 0.00 0.41 -0.12 0.00 0.36 0.00 0.00 54.97 55.61 2k06 s GLU 41 Cb 0.00 0.45 -0.05 0.00 0.26 0.00 0.00 34.13 34.79 2k06 s GLU 41 CO 0.00 -0.25 0.31 0.08 -0.54 0.00 0.00 175.26 174.86 2k06 s VAL 42 N -0.77 5.22 0.12 3.70 1.01 -1.26 -1.98 120.40 126.44 2k06 s VAL 42 Ca -0.08 0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.60 2k06 s VAL 42 Cb -0.02 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2k06 s VAL 42 CO 0.07 0.56 -0.25 -0.04 0.00 0.00 0.00 175.10 175.44 2k06 s MET 43 N -0.82 1.33 -0.09 2.72 1.00 0.15 -4.99 119.30 118.61 2k06 s MET 43 Ca 0.20 -1.30 -0.04 0.00 0.00 0.00 0.00 55.69 54.55 2k06 s MET 43 Cb -0.15 -1.77 0.04 0.00 0.00 0.00 0.00 34.83 32.96 2k06 s MET 43 CO 0.09 0.42 0.19 0.08 0.00 0.00 0.00 175.02 175.79 2k06 s VAL 44 N -1.10 -0.13 -1.15 -6.03 1.01 -1.26 -2.92 120.40 108.83 2k06 s VAL 44 Ca 0.12 0.22 0.15 0.00 0.00 0.00 0.00 61.98 62.47 2k06 s VAL 44 Cb -0.10 -0.31 0.18 0.00 0.00 0.00 0.00 36.38 36.15 2k06 s VAL 44 CO 0.06 0.09 1.48 -0.81 0.00 0.00 0.00 175.10 175.91 2k06 n PRO 45 N 4.55 0.08 -1.41 2.72 -0.04 -1.26 -2.93 135.00 136.71 2k06 n PRO 45 Ca -0.20 0.20 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2k06 n PRO 45 Cb 0.51 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 2k06 n PRO 45 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k06 n THR 46 N -1.43 3.29 -0.35 0.52 -2.24 -1.26 -4.70 114.28 108.12 2k06 n THR 46 Ca 0.05 -3.04 0.29 0.00 -2.27 0.00 0.00 64.05 59.08 2k06 n THR 46 Cb 0.16 -1.00 0.60 0.00 -2.10 0.00 0.00 70.33 67.99 2k06 n THR 46 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2k06 h GLU 47 N 1.83 0.23 -5.37 -0.78 4.81 -1.98 -3.36 114.58 109.96 2k06 h GLU 47 Ca 0.54 -0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 59.13 2k06 h GLU 47 Cb 1.28 -0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.48 2k06 h GLU 47 CO 1.28 0.15 -0.52 -2.00 -0.73 0.00 0.00 179.01 177.19 2k06 s GLU 48 N -5.31 3.94 -0.04 1.92 2.12 -1.26 -5.09 118.70 114.97 2k06 s GLU 48 Ca -0.08 -0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.05 2k06 s GLU 48 Cb 0.26 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 2k06 s GLU 48 CO 0.81 0.38 -0.23 0.08 -0.54 0.00 0.00 175.26 175.76 2k06 s VAL 49 N 0.09 1.86 0.07 3.70 1.01 -1.26 -5.13 120.40 120.74 2k06 s VAL 49 Ca 0.07 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2k06 s VAL 49 Cb -0.12 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2k06 s VAL 49 CO -0.00 0.52 -0.16 0.54 0.00 0.00 0.00 175.10 176.00 2k06 s VAL 50 N -0.21 1.25 -0.03 2.92 0.11 -1.26 -5.14 120.40 118.03 2k06 s VAL 50 Ca -0.01 -1.27 0.07 0.00 -2.93 0.00 0.00 61.98 57.85 2k06 s VAL 50 Cb -0.12 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.55 2k06 s VAL 50 CO 0.02 -0.11 -0.24 -0.70 -3.33 0.00 0.00 175.10 170.74 2k06 s GLU 51 N -1.59 2.07 0.49 1.54 2.12 -1.26 -5.00 118.70 117.07 2k06 s GLU 51 Ca 0.01 -0.85 0.18 0.00 0.36 0.00 0.00 54.97 54.67 2k06 s GLU 51 Cb -0.09 -1.92 1.21 0.00 0.26 0.00 0.00 34.13 33.59 2k06 s GLU 51 CO 0.02 0.46 2.04 0.97 -0.54 0.00 0.00 175.26 178.22 2k06 h ILE 52 N 4.72 0.89 -0.40 -3.70 2.10 -1.97 0.30 117.51 119.45 2k06 h ILE 52 Ca -0.39 -0.05 0.06 0.00 1.08 0.00 0.00 64.86 65.56 2k06 h ILE 52 Cb 1.14 0.72 -0.02 0.00 -1.09 0.00 0.00 36.82 37.57 2k06 h ILE 52 CO 0.47 0.03 0.27 0.03 -1.08 0.00 0.00 178.15 177.87 2k06 h ARG 53 N 0.16 0.28 0.00 2.19 3.08 -2.00 -3.39 114.38 114.70 2k06 h ARG 53 Ca 0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2k06 h ARG 53 Cb 0.48 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2k06 h ARG 53 CO -0.02 0.19 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 2k06 n GLY 54 N -1.53 -2.72 3.44 0.04 0.00 0.09 -4.47 105.19 100.05 2k06 n GLY 54 Ca 0.05 -0.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 -0.14 0.27 -0.02 0.00 -1.26 -4.73 105.19 99.31 2k06 n GLY 55 Ca 0.00 1.03 0.05 0.00 0.00 0.00 0.00 46.02 47.10 2k06 n GLY 55 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k06 h GLN 56 N 12.60 0.28 -0.96 1.61 4.20 -1.78 -1.85 115.11 129.22 2k06 h GLN 56 Ca -0.13 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.70 2k06 h GLN 56 Cb 1.33 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.97 2k06 h GLN 56 CO 1.22 0.25 0.61 -0.09 -0.67 0.00 0.00 178.83 180.15 2k06 h ARG 57 N 0.29 0.77 -6.26 1.46 2.43 -1.94 -3.38 114.38 107.73 2k06 h ARG 57 Ca 0.07 -0.05 -0.55 0.00 -0.81 0.00 0.00 59.98 58.65 2k06 h ARG 57 Cb 0.07 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 2k06 h ARG 57 CO -0.01 0.51 0.21 1.03 -1.51 0.00 0.00 179.97 180.21 2k06 s ARG 58 N -5.79 4.51 -0.03 0.20 0.52 -0.70 -5.04 118.95 112.62 2k06 s ARG 58 Ca -0.11 1.14 -0.01 0.00 -0.52 0.00 0.00 55.73 56.23 2k06 s ARG 58 Cb 0.23 -3.42 0.03 0.00 0.52 0.00 0.00 34.95 32.31 2k06 s ARG 58 CO 0.80 0.10 0.04 0.21 0.02 0.00 0.00 175.30 176.47 2k06 s LYS 59 N 0.55 -0.01 -0.30 3.54 2.20 -1.26 -4.90 119.74 119.57 2k06 s LYS 59 Ca 0.43 0.26 -0.17 0.00 -0.36 0.00 0.00 55.97 56.13 2k06 s LYS 59 Cb -0.20 -0.41 0.18 0.00 -1.51 0.00 0.00 37.83 35.89 2k06 s LYS 59 CO 0.23 -0.24 1.20 0.45 -0.36 0.00 0.00 175.35 176.63 2k06 s SER 60 N 1.59 -0.17 0.03 1.43 0.15 -1.26 -5.17 113.70 110.30 2k06 s SER 60 Ca -0.02 0.13 0.04 0.00 0.70 0.00 0.00 55.95 56.79 2k06 s SER 60 Cb -0.13 1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 65.32 2k06 s SER 60 CO -0.03 -0.03 -0.11 -1.61 1.20 0.00 0.00 173.24 172.66 2k06 s GLU 61 N 2.80 0.73 0.10 5.44 2.02 -1.26 -5.06 118.70 123.46 2k06 s GLU 61 Ca -0.06 -0.64 0.10 0.00 0.02 0.00 0.00 54.97 54.39 2k06 s GLU 61 Cb -0.07 -0.67 -0.04 0.00 0.10 0.00 0.00 34.13 33.45 2k06 s GLU 61 CO -0.10 0.16 -0.26 1.03 0.02 0.00 0.00 175.26 176.12 2k06 s ARG 62 N -1.05 1.47 -0.23 1.61 0.52 -1.26 -5.12 118.95 114.90 2k06 s ARG 62 Ca -0.01 -1.24 -0.06 0.00 -0.52 0.00 0.00 55.73 53.89 2k06 s ARG 62 Cb -0.07 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 2k06 s ARG 62 CO 0.01 0.45 0.04 0.15 0.02 0.00 0.00 175.30 175.96 2k06 s LYS 63 N -1.77 3.63 0.16 3.54 1.02 -1.26 -5.09 119.74 119.97 2k06 s LYS 63 Ca 0.12 -0.50 0.07 0.00 0.02 0.00 0.00 55.97 55.68 2k06 s LYS 63 Cb -0.10 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2k06 s LYS 63 CO 0.05 -0.10 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.16 2k06 s PHE 64 N 1.34 1.60 -0.89 3.18 0.08 -1.26 -4.80 117.98 117.23 2k06 s PHE 64 Ca 0.05 -0.55 -0.32 0.00 0.12 0.00 0.00 56.93 56.22 2k06 s PHE 64 Cb -0.15 -0.79 -0.20 0.00 -0.57 0.00 0.00 43.02 41.31 2k06 s PHE 64 CO 0.02 0.26 2.61 1.97 -0.10 0.00 0.00 175.22 179.98 2k06 n PHE 65 N 0.12 0.72 -2.22 0.36 1.16 -1.26 -4.85 117.46 111.49 2k06 n PHE 65 Ca -0.12 0.39 -0.34 0.00 -1.87 0.00 0.00 57.45 55.51 2k06 n PHE 65 Cb 0.58 -2.40 -0.00 0.00 -1.61 0.00 0.00 39.48 36.05 2k06 n PHE 65 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2k06 s PRO 66 N 8.61 3.42 -1.11 3.97 0.04 -1.26 -3.55 135.00 145.12 2k06 s PRO 66 Ca 1.30 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2k06 s PRO 66 Cb -1.17 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2k06 s PRO 66 CO 0.48 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2k06 n GLY 67 N -0.41 -0.14 2.90 0.56 0.00 -1.25 -4.91 105.19 101.94 2k06 n GLY 67 Ca 0.10 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.64 1.77 0.03 1.61 1.51 -1.23 -2.33 117.35 116.06 2k06 s TYR 68 Ca 0.00 -1.13 0.03 0.00 -1.01 0.00 0.00 57.07 54.97 2k06 s TYR 68 Cb 0.00 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 2k06 s TYR 68 CO 0.00 -0.63 -0.10 0.08 -1.11 0.00 0.00 175.55 173.79 2k06 s VAL 69 N 1.61 0.80 -0.20 0.71 1.01 -0.63 -4.79 120.40 118.92 2k06 s VAL 69 Ca 0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 2k06 s VAL 69 Cb -0.15 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2k06 s VAL 69 CO -0.08 -0.03 0.11 -0.76 0.00 0.00 0.00 175.10 174.34 2k06 s LEU 70 N -0.92 4.09 -0.11 3.92 1.02 -1.15 -0.31 118.68 125.23 2k06 s LEU 70 Ca -0.01 0.18 -0.03 0.00 0.02 0.00 0.00 54.13 54.28 2k06 s LEU 70 Cb -0.07 -2.06 0.05 0.00 0.02 0.00 0.00 46.19 44.14 2k06 s LEU 70 CO 0.01 0.17 0.09 -0.69 0.02 0.00 0.00 176.35 175.95 2k06 s VAL 71 N 0.42 -0.13 0.26 -1.59 1.01 -0.98 0.34 120.40 119.73 2k06 s VAL 71 Ca 0.07 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2k06 s VAL 71 Cb -0.12 -0.37 -0.10 0.00 0.00 0.00 0.00 36.38 35.80 2k06 s VAL 71 CO -0.01 -0.03 1.40 -1.58 0.00 0.00 0.00 175.10 174.88 2k06 s GLN 72 N 2.18 4.29 -0.21 2.72 0.74 -0.84 -3.06 119.66 125.49 2k06 s GLN 72 Ca 0.04 2.27 -0.31 0.00 0.05 0.00 0.00 55.36 57.41 2k06 s GLN 72 Cb -0.14 -3.11 0.15 0.00 1.10 0.00 0.00 33.01 31.02 2k06 s GLN 72 CO -0.06 -0.36 1.17 1.41 -0.55 0.00 0.00 175.29 176.89 2k06 s MET 73 N -0.62 0.34 0.23 1.67 1.75 -0.19 0.37 119.30 122.85 2k06 s MET 73 Ca 0.57 0.03 -0.27 0.00 -1.25 0.00 0.00 55.69 54.77 2k06 s MET 73 Cb -0.41 0.16 -0.09 0.00 2.84 0.00 0.00 34.83 37.33 2k06 s MET 73 CO 0.45 -0.12 0.88 0.08 -0.65 0.00 0.00 175.02 175.65 2k06 s VAL 74 N -1.37 4.22 -0.71 10.11 1.01 -1.10 -3.92 120.40 128.64 2k06 s VAL 74 Ca 0.05 1.86 -0.27 0.00 0.00 0.00 0.00 61.98 63.62 2k06 s VAL 74 Cb -0.01 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.22 2k06 s VAL 74 CO -0.04 0.42 1.39 -0.32 0.00 0.00 0.00 175.10 176.55 2k06 s MET 75 N -1.40 3.09 0.19 2.72 1.75 -1.26 -4.74 119.30 119.66 2k06 s MET 75 Ca 0.41 -0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.76 2k06 s MET 75 Cb -0.23 -4.22 -0.04 0.00 2.84 0.00 0.00 34.83 33.19 2k06 s MET 75 CO 0.28 -2.25 0.15 0.54 -0.65 0.00 0.00 175.02 173.08 2k06 s ASN 76 N 4.54 0.15 0.36 1.11 4.22 -1.26 -4.95 114.94 119.10 2k06 s ASN 76 Ca 0.41 -1.33 0.18 0.00 -2.14 0.00 0.00 52.86 49.98 2k06 s ASN 76 Cb -0.09 0.38 0.61 0.00 1.28 0.00 0.00 41.25 43.44 2k06 s ASN 76 CO 0.16 -0.85 1.70 0.44 -2.04 0.00 0.00 177.10 176.52 2k06 h ASP 77 N 2.62 0.00 0.00 3.54 3.32 -1.97 -1.77 116.42 122.16 2k06 h ASP 77 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2k06 h ASP 77 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2k06 h ASP 77 CO 0.52 0.40 0.00 0.00 -1.72 0.00 0.00 179.24 178.45 2k06 n ALA 78 N -2.30 -0.20 -0.22 3.45 0.00 -1.26 -1.11 120.51 118.86 2k06 n ALA 78 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2k06 n ALA 78 Cb 0.53 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.11 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 0.27 0.58 0.00 4.64 -1.88 0.18 113.55 117.34 2k06 h SER 79 Ca 0.00 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2k06 h SER 79 Cb 0.00 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2k06 h SER 79 CO 0.00 0.15 -0.46 -0.25 -0.87 0.00 0.00 176.83 175.39 2k06 h TRP 80 N 0.44 -1.25 -0.71 4.77 7.01 -1.43 0.94 115.95 125.73 2k06 h TRP 80 Ca 0.33 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.42 2k06 h TRP 80 Cb 0.43 0.47 -0.07 0.00 -2.10 0.00 0.00 29.16 27.89 2k06 h TRP 80 CO -0.16 -0.65 0.36 1.25 -2.79 0.00 0.00 178.44 176.44 2k06 h HIS 81 N -1.01 0.64 -0.37 2.65 2.76 -0.63 -1.43 115.15 117.75 2k06 h HIS 81 Ca -0.07 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.18 2k06 h HIS 81 Cb 0.86 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.59 2k06 h HIS 81 CO -0.19 0.24 0.10 1.25 -1.30 0.00 0.00 177.93 178.04 2k06 h LEU 82 N 0.61 0.08 -0.58 0.26 5.85 -0.15 0.20 115.31 121.58 2k06 h LEU 82 Ca 0.34 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.23 2k06 h LEU 82 Cb 0.35 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.33 2k06 h LEU 82 CO -0.26 0.08 0.02 0.58 -0.34 0.00 0.00 178.44 178.52 2k06 h VAL 83 N 0.24 0.55 0.00 1.05 2.07 0.28 0.31 116.25 120.74 2k06 h VAL 83 Ca 0.17 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 2k06 h VAL 83 Cb 0.18 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2k06 h VAL 83 CO -0.20 0.03 -0.43 -0.09 0.02 0.00 0.00 177.57 176.89 2k06 h ARG 84 N 0.14 0.00 -0.33 1.57 2.43 -1.00 -3.07 114.38 114.12 2k06 h ARG 84 Ca 0.30 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2k06 h ARG 84 Cb 0.48 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2k06 h ARG 84 CO -0.48 0.43 0.18 0.77 -1.51 0.00 0.00 179.97 179.36 2k06 h SER 85 N 0.00 0.28 -3.39 -3.80 0.02 0.27 -3.40 113.55 103.53 2k06 h SER 85 Ca -0.00 0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.43 2k06 h SER 85 Cb 0.87 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2k06 h SER 85 CO 0.06 0.20 0.48 0.54 -1.14 0.00 0.00 176.83 176.97 2k06 s VAL 86 N -6.16 4.15 0.51 2.27 0.11 -0.77 -5.03 120.40 115.48 2k06 s VAL 86 Ca -0.13 1.66 -0.09 0.00 -2.93 0.00 0.00 61.98 60.50 2k06 s VAL 86 Cb 0.11 -4.06 0.13 0.00 -1.53 0.00 0.00 36.38 31.02 2k06 s VAL 86 CO 0.71 0.19 0.44 -0.81 -3.33 0.00 0.00 175.10 172.31 2k06 n PRO 87 N 3.29 -2.00 -2.55 1.54 -0.04 -1.26 -4.28 135.00 129.71 2k06 n PRO 87 Ca 0.06 -0.71 -0.18 0.00 -0.04 0.00 0.00 63.50 62.63 2k06 n PRO 87 Cb 0.47 -0.68 0.01 0.00 -0.04 0.00 0.00 33.50 33.26 2k06 n PRO 87 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k06 n ARG 88 N -2.93 -2.43 -3.84 0.54 1.74 -1.26 -4.98 116.66 103.50 2k06 n ARG 88 Ca 0.06 0.80 -0.26 0.00 -0.77 0.00 0.00 57.85 57.68 2k06 n ARG 88 Cb 0.24 -5.28 -0.17 0.00 -1.02 0.00 0.00 32.46 26.23 2k06 n ARG 88 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2k06 s VAL 89 N -2.94 0.79 0.12 1.55 1.01 -1.26 -4.12 120.40 115.55 2k06 s VAL 89 Ca 0.10 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 2k06 s VAL 89 Cb -0.04 -0.96 -0.15 0.00 0.00 0.00 0.00 36.38 35.23 2k06 s VAL 89 CO 0.12 0.19 1.34 0.24 0.00 0.00 0.00 175.10 176.99 2k06 h MET 90 N 8.22 0.66 0.00 2.72 2.86 -0.52 -3.48 114.93 125.38 2k06 h MET 90 Ca -0.23 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 56.85 2k06 h MET 90 Cb 1.12 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2k06 h MET 90 CO 0.35 1.17 0.00 0.41 1.06 0.00 0.00 176.91 179.90 2k06 n GLY 91 N 0.70 -0.44 3.94 8.32 0.00 -1.12 -4.96 105.19 111.62 2k06 n GLY 91 Ca -0.07 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.80 3.49 -0.24 1.61 0.08 -1.26 0.84 117.98 120.70 2k06 s PHE 92 Ca 0.00 0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.42 2k06 s PHE 92 Cb 0.00 -1.89 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2k06 s PHE 92 CO 0.00 0.20 -0.12 0.42 -0.10 0.00 0.00 175.22 175.62 2k06 s ILE 93 N -2.18 2.35 0.00 0.64 -1.09 -1.13 -4.80 121.20 114.99 2k06 s ILE 93 Ca 0.40 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 2k06 s ILE 93 Cb -0.10 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 2k06 s ILE 93 CO 0.33 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 2k06 n GLY 94 N 4.55 2.70 0.12 6.18 0.00 -1.26 -4.30 105.19 113.18 2k06 n GLY 94 Ca -0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -2.46 -0.02 0.00 -1.90 -3.45 103.07 95.24 2k06 h GLY 95 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2k06 h GLY 95 CO 0.00 0.00 -0.62 -0.51 0.00 0.00 0.00 176.54 175.41 2k06 s THR 96 N -3.25 0.39 -0.61 4.70 -4.23 -1.24 -5.02 115.64 106.38 2k06 s THR 96 Ca 0.00 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.60 2k06 s THR 96 Cb 0.11 -2.53 0.48 0.00 1.34 0.00 0.00 72.50 71.91 2k06 s THR 96 CO 0.77 -0.06 1.24 -0.24 -0.54 0.00 0.00 174.62 175.79 2k06 n SER 97 N -0.37 3.75 -0.05 3.99 2.88 -1.26 -3.64 113.62 118.91 2k06 n SER 97 Ca -0.00 -2.53 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 2k06 n SER 97 Cb 0.66 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2k06 n SER 97 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k06 n ASP 98 N 0.39 0.00 -3.09 -3.46 5.68 -1.26 -4.74 116.55 110.06 2k06 n ASP 98 Ca 0.16 -1.10 0.04 0.00 -0.50 0.00 0.00 54.79 53.40 2k06 n ASP 98 Cb 0.80 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 2k06 n ASP 98 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2k06 s ARG 99 N 0.00 0.25 -0.24 0.11 0.52 -1.24 -5.12 118.95 113.23 2k06 s ARG 99 Ca 0.00 0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.07 2k06 s ARG 99 Cb 0.00 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.53 2k06 s ARG 99 CO 0.00 -0.44 1.67 -1.25 0.02 0.00 0.00 175.30 175.31 2k06 s PRO 100 N 2.71 3.69 0.41 3.54 0.04 -1.26 -3.58 135.00 140.54 2k06 s PRO 100 Ca 0.22 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 2k06 s PRO 100 Cb -0.02 -4.08 -0.10 0.00 0.04 0.00 0.00 34.50 30.33 2k06 s PRO 100 CO -0.21 -1.43 1.29 0.00 0.04 0.00 0.00 177.00 176.69 2k06 n ALA 101 N 8.90 1.40 -1.58 8.56 0.00 -1.26 -4.88 120.51 131.64 2k06 n ALA 101 Ca 0.20 0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 2k06 n ALA 101 Cb 0.45 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.66 2k06 n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k06 s PRO 102 N -2.16 2.97 0.11 0.00 0.04 -1.26 -4.85 135.00 129.83 2k06 s PRO 102 Ca 0.60 1.41 0.06 0.00 0.04 0.00 0.00 61.00 63.11 2k06 s PRO 102 Cb -0.51 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2k06 s PRO 102 CO 0.59 -1.12 -0.15 0.96 0.04 0.00 0.00 177.00 177.32 2k06 s ILE 103 N -2.24 1.31 0.46 0.56 -4.36 -1.24 -5.05 121.20 110.65 2k06 s ILE 103 Ca 0.68 -1.58 -0.24 0.00 -0.26 0.00 0.00 60.65 59.25 2k06 s ILE 103 Cb -0.21 -1.40 -0.07 0.00 1.25 0.00 0.00 42.46 42.03 2k06 s ILE 103 CO 0.38 -0.32 1.24 -0.44 0.24 0.00 0.00 174.94 176.04 2k06 s SER 104 N -2.18 6.05 0.27 4.36 0.01 -1.26 -4.45 113.70 116.50 2k06 s SER 104 Ca 0.05 2.49 0.00 0.00 1.31 0.00 0.00 55.95 59.80 2k06 s SER 104 Cb -0.07 -2.62 0.54 0.00 0.21 0.00 0.00 66.02 64.08 2k06 s SER 104 CO 0.03 -1.01 1.81 0.44 0.41 0.00 0.00 173.24 174.91 2k06 h ASP 105 N 2.13 0.77 -0.57 2.44 3.32 -1.99 -0.54 116.42 121.99 2k06 h ASP 105 Ca -0.50 0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.64 2k06 h ASP 105 Cb 1.26 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 2k06 h ASP 105 CO 0.60 0.38 0.36 0.50 -1.72 0.00 0.00 179.24 179.36 2k06 h LYS 106 N 0.84 0.69 -0.65 3.56 3.64 -2.01 -2.15 116.57 120.50 2k06 h LYS 106 Ca 0.48 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.95 2k06 h LYS 106 Cb 0.56 -0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 2k06 h LYS 106 CO -0.30 0.46 0.16 1.49 -2.27 0.00 0.00 179.45 178.99 2k06 h GLU 107 N 0.71 0.27 -0.90 1.90 4.81 -1.45 0.15 114.58 120.07 2k06 h GLU 107 Ca 0.22 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.56 2k06 h GLU 107 Cb -0.02 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.21 2k06 h GLU 107 CO -0.08 0.18 0.52 0.28 -0.73 0.00 0.00 179.01 179.18 2k06 h VAL 108 N 0.28 0.85 -0.89 0.32 2.07 -1.18 0.24 116.25 117.94 2k06 h VAL 108 Ca 0.35 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2k06 h VAL 108 Cb 0.54 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 2k06 h VAL 108 CO -0.43 0.15 0.59 0.44 0.02 0.00 0.00 177.57 178.34 2k06 h ASP 109 N 0.81 1.01 0.24 0.57 3.32 -0.57 -2.59 116.42 119.20 2k06 h ASP 109 Ca 0.46 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 2k06 h ASP 109 Cb 0.51 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2k06 h ASP 109 CO -0.29 0.73 -0.13 0.00 -1.72 0.00 0.00 179.24 177.82 2k06 h ALA 110 N 1.33 -0.34 -0.58 3.45 0.00 -0.45 -1.75 119.26 120.92 2k06 h ALA 110 Ca 0.33 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.29 2k06 h ALA 110 Cb -0.12 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 2k06 h ALA 110 CO -0.08 -0.70 -0.24 0.82 0.00 0.00 0.00 179.25 179.06 2k06 h ILE 111 N -0.35 0.29 -0.81 0.00 2.04 -1.04 0.56 117.51 118.19 2k06 h ILE 111 Ca -0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 2k06 h ILE 111 Cb 0.28 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 2k06 h ILE 111 CO 0.03 0.00 0.53 0.24 0.00 0.00 0.00 178.15 178.95 2k06 h MET 112 N -0.09 0.77 -0.59 2.37 2.86 -1.14 0.29 114.93 119.40 2k06 h MET 112 Ca 0.26 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.91 2k06 h MET 112 Cb 0.50 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 2k06 h MET 112 CO -0.64 0.51 0.39 -0.91 1.06 0.00 0.00 176.91 177.32 2k06 h ASN 113 N 0.79 0.53 -0.69 1.22 2.35 0.10 -1.79 115.58 118.10 2k06 h ASN 113 Ca 0.37 -0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.26 2k06 h ASN 113 Cb 0.38 -0.12 -0.10 0.00 0.05 0.00 0.00 38.32 38.54 2k06 h ASN 113 CO -0.14 0.36 0.18 0.03 -1.65 0.00 0.00 177.43 176.21 2k06 h ARG 114 N 0.61 0.29 -0.92 0.81 3.08 -0.34 0.86 114.38 118.78 2k06 h ARG 114 Ca 0.25 -0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.55 2k06 h ARG 114 Cb 0.21 -0.07 -0.15 0.00 0.08 0.00 0.00 29.97 30.05 2k06 h ARG 114 CO -0.07 0.19 0.25 1.25 -1.07 0.00 0.00 179.97 180.52 2k06 h LEU 115 N 0.30 -0.02 -1.75 3.04 5.85 -1.41 1.80 115.31 123.12 2k06 h LEU 115 Ca 0.38 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 59.29 2k06 h LEU 115 Cb 0.61 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 2k06 h LEU 115 CO -0.45 -0.21 -0.13 -0.61 -0.34 0.00 0.00 178.44 176.69 2k06 h GLN 116 N 0.16 0.00 -6.84 1.25 4.15 -0.95 -3.42 115.11 109.46 2k06 h GLN 116 Ca 0.60 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 59.50 2k06 h GLN 116 Cb 1.27 0.00 0.05 0.00 0.21 0.00 0.00 27.48 29.01 2k06 h GLN 116 CO -0.71 0.13 0.60 -1.14 -1.93 0.00 0.00 178.83 175.78 2k06 s GLN 117 N -4.75 4.43 0.22 1.69 0.74 0.61 -4.91 119.66 117.70 2k06 s GLN 117 Ca -0.04 2.09 -0.07 0.00 0.05 0.00 0.00 55.36 57.39 2k06 s GLN 117 Cb 0.16 -3.12 0.33 0.00 1.10 0.00 0.00 33.01 31.48 2k06 s GLN 117 CO 0.69 -0.09 1.78 0.28 -0.55 0.00 0.00 175.29 177.39 2k06 h VAL 118 N 3.14 0.85 0.00 1.34 2.07 -1.82 -3.46 116.25 118.37 2k06 h VAL 118 Ca -0.48 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2k06 h VAL 118 Cb 1.22 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2k06 h VAL 118 CO 0.67 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.98 2k06 n GLY 119 N -1.30 0.80 0.36 2.17 0.00 -1.26 -4.54 105.19 101.43 2k06 n GLY 119 Ca 0.11 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 0.59 -3.59 1.61 3.32 -1.93 -3.36 116.42 113.07 2k06 h ASP 120 Ca 0.00 0.02 -0.65 0.00 0.02 0.00 0.00 57.03 56.42 2k06 h ASP 120 Cb 0.40 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 39.70 2k06 h ASP 120 CO 0.00 0.34 0.11 -0.54 -1.72 0.00 0.00 179.24 177.43 2k06 s LYS 121 N -5.61 3.34 0.48 3.56 1.02 -1.26 -5.04 119.74 116.23 2k06 s LYS 121 Ca -0.09 -0.33 -0.22 0.00 0.02 0.00 0.00 55.97 55.35 2k06 s LYS 121 Cb 0.20 -3.93 -0.07 0.00 -0.52 0.00 0.00 37.83 33.52 2k06 s LYS 121 CO 0.77 -0.96 1.15 -1.25 -0.92 0.00 0.00 175.35 174.15 2k06 s PRO 122 N 2.77 3.65 0.00 -1.68 0.04 -1.26 -5.18 135.00 133.34 2k06 s PRO 122 Ca 0.22 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2k06 s PRO 122 Cb -0.14 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2k06 s PRO 122 CO 0.18 -0.63 0.00 0.54 0.04 0.00 0.00 177.00 177.14