#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k06 s SER 2 N 0.00 2.98 0.41 7.83 0.15 -1.26 -5.01 113.70 118.80 2k06 s SER 2 Ca 0.00 -0.57 0.07 0.00 0.70 0.00 0.00 55.95 56.16 2k06 s SER 2 Cb 0.00 -0.27 0.88 0.00 -1.71 0.00 0.00 66.02 64.92 2k06 s SER 2 CO 0.00 0.24 2.06 -0.33 1.20 0.00 0.00 173.24 176.41 2k06 h GLU 3 N 4.84 0.51 -5.88 5.44 4.39 -2.09 -3.47 114.58 118.33 2k06 h GLU 3 Ca -0.45 -0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.01 2k06 h GLU 3 Cb 1.15 -0.12 0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2k06 h GLU 3 CO 0.44 0.34 -0.47 0.00 -1.16 0.00 0.00 179.01 178.16 2k06 n ALA 4 N -2.48 -2.60 0.33 3.43 0.00 -1.26 -4.85 120.51 113.09 2k06 n ALA 4 Ca 0.03 -0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.52 2k06 n ALA 4 Cb 0.06 -1.74 0.61 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.08 0.00 -5.63 0.00 0.13 -2.06 -3.46 132.00 120.89 2k06 h PRO 5 Ca -0.29 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.48 2k06 h PRO 5 Cb 1.17 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.45 2k06 h PRO 5 CO 0.35 0.00 -0.69 1.63 -0.23 0.00 0.00 178.00 179.05 2k06 n LYS 6 N -2.69 -7.20 -4.23 0.86 5.02 -1.26 -5.00 118.16 103.66 2k06 n LYS 6 Ca 0.01 0.81 -0.24 0.00 -2.02 0.00 0.00 58.31 56.87 2k06 n LYS 6 Cb 0.26 -5.77 -0.17 0.00 -0.02 0.00 0.00 35.03 29.33 2k06 n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k06 s LYS 7 N -5.88 1.40 0.02 1.97 1.02 -1.26 -4.68 119.74 112.34 2k06 s LYS 7 Ca 0.34 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.06 2k06 s LYS 7 Cb -0.15 -1.33 -0.02 0.00 -0.52 0.00 0.00 37.83 35.81 2k06 s LYS 7 CO 0.71 -0.11 -0.04 1.03 -0.92 0.00 0.00 175.35 176.02 2k06 s ARG 8 N 1.14 0.34 -0.14 1.68 0.52 -1.23 -5.00 118.95 116.26 2k06 s ARG 8 Ca -0.06 -0.64 -0.07 0.00 -0.52 0.00 0.00 55.73 54.43 2k06 s ARG 8 Cb -0.14 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.35 2k06 s ARG 8 CO -0.01 -0.04 0.12 -1.58 0.02 0.00 0.00 175.30 173.81 2k06 s TRP 9 N -1.52 3.50 0.07 -0.53 0.52 -1.26 -0.73 118.94 118.99 2k06 s TRP 9 Ca -0.15 0.43 0.05 0.00 0.02 0.00 0.00 56.10 56.45 2k06 s TRP 9 Cb -0.10 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 2k06 s TRP 9 CO -0.01 0.57 -0.15 0.71 0.02 0.00 0.00 176.95 178.09 2k06 s TYR 10 N -0.57 1.26 -0.11 -1.98 2.02 -0.27 -2.69 117.35 115.01 2k06 s TYR 10 Ca 0.12 -0.45 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 2k06 s TYR 10 Cb -0.12 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.69 2k06 s TYR 10 CO 0.02 0.07 0.18 0.08 -1.57 0.00 0.00 175.55 174.33 2k06 s VAL 11 N -1.25 5.43 -0.10 0.71 1.01 -1.26 -0.57 120.40 124.37 2k06 s VAL 11 Ca -0.01 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2k06 s VAL 11 Cb -0.10 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 2k06 s VAL 11 CO 0.02 0.60 -0.22 -0.69 0.00 0.00 0.00 175.10 174.81 2k06 s VAL 12 N -0.92 2.20 0.24 2.92 1.01 0.26 -2.89 120.40 123.22 2k06 s VAL 12 Ca 0.16 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 2k06 s VAL 12 Cb -0.13 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 2k06 s VAL 12 CO 0.05 0.56 0.66 -1.10 0.00 0.00 0.00 175.10 175.26 2k06 s GLN 13 N 0.34 4.02 0.04 2.72 -0.21 -1.08 -1.17 119.66 124.33 2k06 s GLN 13 Ca -0.18 0.61 -0.14 0.00 0.02 0.00 0.00 55.36 55.67 2k06 s GLN 13 Cb -0.18 -2.70 0.02 0.00 1.00 0.00 0.00 33.01 31.16 2k06 s GLN 13 CO 0.09 0.32 0.32 0.00 -2.12 0.00 0.00 175.29 173.89 2k06 s ALA 14 N -1.72 -0.73 0.49 6.09 0.00 -0.54 -2.24 121.76 123.12 2k06 s ALA 14 Ca 0.46 0.06 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 2k06 s ALA 14 Cb -0.13 0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2k06 s ALA 14 CO 0.19 -0.41 1.24 -0.06 0.00 0.00 0.00 175.76 176.72 2k06 s PHE 15 N -2.48 2.65 0.29 0.00 0.08 -1.21 -4.18 117.98 113.13 2k06 s PHE 15 Ca -0.05 1.48 -0.30 0.00 0.12 0.00 0.00 56.93 58.17 2k06 s PHE 15 Cb -0.01 -3.53 -0.12 0.00 -0.57 0.00 0.00 43.02 38.79 2k06 s PHE 15 CO -0.03 -2.02 1.51 0.43 -0.10 0.00 0.00 175.22 175.01 2k06 n SER 16 N -0.71 3.48 0.00 1.36 7.64 -1.26 -1.17 113.62 122.96 2k06 n SER 16 Ca 0.09 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.12 2k06 n SER 16 Cb 0.47 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 2k06 n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k06 n GLY 17 N 1.86 2.83 1.00 0.23 0.00 -1.26 -4.72 105.19 105.13 2k06 n GLY 17 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.14 0.57 -0.24 1.61 3.72 -0.32 -4.46 117.46 118.19 2k06 n PHE 18 Ca 0.00 -0.36 0.07 0.00 -0.05 0.00 0.00 57.45 57.11 2k06 n PHE 18 Cb 0.00 -0.01 0.31 0.00 -0.94 0.00 0.00 39.48 38.85 2k06 n PHE 18 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2k06 h GLU 19 N 3.56 0.82 0.12 -1.08 4.81 -1.78 0.02 114.58 121.05 2k06 h GLU 19 Ca 0.00 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 58.91 2k06 h GLU 19 Cb 0.87 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2k06 h GLU 19 CO 0.00 0.54 -1.22 0.78 -0.73 0.00 0.00 179.01 178.38 2k06 h GLY 20 N 0.85 0.32 0.90 1.92 0.00 -1.88 -3.29 103.07 101.88 2k06 h GLY 20 Ca 0.37 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2k06 h GLY 20 CO -0.14 0.70 0.09 -0.09 0.00 0.00 0.00 176.54 177.10 2k06 h ARG 21 N 0.08 0.31 -1.00 4.80 2.43 -1.55 -2.43 114.38 117.03 2k06 h ARG 21 Ca -0.13 -0.06 0.21 0.00 -0.81 0.00 0.00 59.98 59.19 2k06 h ARG 21 Cb 1.94 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 31.34 2k06 h ARG 21 CO 0.20 0.37 0.61 0.28 -1.51 0.00 0.00 179.97 179.93 2k06 h VAL 22 N 0.19 0.66 -0.77 0.20 2.07 -1.12 0.27 116.25 117.75 2k06 h VAL 22 Ca 0.07 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2k06 h VAL 22 Cb 0.17 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 2k06 h VAL 22 CO -0.01 0.12 0.30 0.00 0.02 0.00 0.00 177.57 178.01 2k06 h ALA 23 N 1.65 1.08 -0.32 1.67 0.00 -1.51 -2.22 119.26 119.61 2k06 h ALA 23 Ca 0.58 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 2k06 h ALA 23 Cb 1.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k06 h ALA 23 CO -0.37 0.65 -0.23 1.15 0.00 0.00 0.00 179.25 180.46 2k06 h THR 24 N 1.12 1.27 -0.67 0.00 2.02 -0.28 -2.88 112.91 113.49 2k06 h THR 24 Ca 0.26 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 2k06 h THR 24 Cb 0.22 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2k06 h THR 24 CO -0.02 0.42 0.23 0.28 0.37 0.00 0.00 175.52 176.80 2k06 h SER 25 N 0.55 0.95 -0.69 4.18 0.02 -0.71 -2.65 113.55 115.21 2k06 h SER 25 Ca 0.08 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2k06 h SER 25 Cb 0.69 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 2k06 h SER 25 CO 0.05 0.89 0.39 -0.07 -1.14 0.00 0.00 176.83 176.95 2k06 h LEU 26 N 0.96 0.57 -1.06 5.07 3.38 -1.20 0.90 115.31 123.93 2k06 h LEU 26 Ca 0.22 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.29 2k06 h LEU 26 Cb 0.26 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2k06 h LEU 26 CO -0.01 0.36 0.63 -0.09 0.09 0.00 0.00 178.44 179.42 2k06 h ARG 27 N 0.70 1.08 0.30 1.13 2.43 -1.38 0.51 114.38 119.15 2k06 h ARG 27 Ca 0.31 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2k06 h ARG 27 Cb 0.21 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2k06 h ARG 27 CO -0.19 0.72 -0.15 0.93 -1.51 0.00 0.00 179.97 179.77 2k06 h GLU 28 N 1.11 -0.39 -0.64 0.20 5.08 -1.03 -0.30 114.58 118.60 2k06 h GLU 28 Ca 0.42 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.92 2k06 h GLU 28 Cb 0.20 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 2k06 h GLU 28 CO -0.17 -0.25 0.20 0.45 -1.00 0.00 0.00 179.01 178.25 2k06 h HIS 29 N -1.10 0.35 0.45 4.33 3.86 -0.78 0.35 115.15 122.61 2k06 h HIS 29 Ca -0.04 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2k06 h HIS 29 Cb 0.32 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2k06 h HIS 29 CO 0.00 0.04 -0.22 0.82 0.86 0.00 0.00 177.93 179.43 2k06 h ILE 30 N 0.36 0.51 -0.89 2.45 2.04 -0.07 0.36 117.51 122.27 2k06 h ILE 30 Ca 0.34 -0.33 0.15 0.00 1.00 0.00 0.00 64.86 66.02 2k06 h ILE 30 Cb 0.47 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 2k06 h ILE 30 CO -0.37 0.06 0.58 0.11 0.00 0.00 0.00 178.15 178.52 2k06 h LYS 31 N -0.81 0.66 -0.03 2.37 1.57 -0.50 1.78 116.57 121.60 2k06 h LYS 31 Ca -0.06 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2k06 h LYS 31 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2k06 h LYS 31 CO 0.10 0.44 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.21 2k06 h LEU 32 N 0.68 0.17 -0.14 2.94 3.38 -0.06 -3.06 115.31 119.23 2k06 h LEU 32 Ca 0.45 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2k06 h LEU 32 Cb 0.75 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2k06 h LEU 32 CO -0.21 0.79 0.00 1.41 0.09 0.00 0.00 178.44 180.52 2k06 n HIS 33 N -4.63 0.01 -3.47 1.13 8.25 0.13 -4.90 115.22 111.73 2k06 n HIS 33 Ca -0.09 -0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.19 2k06 n HIS 33 Cb 0.40 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.80 -2.00 -1.22 0.41 3.02 0.58 -4.89 115.26 110.37 2k06 n ASN 34 Ca 0.21 -0.65 0.11 0.00 -0.03 0.00 0.00 54.58 54.22 2k06 n ASN 34 Cb 0.14 -4.97 0.28 0.00 -0.61 0.00 0.00 39.78 34.62 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 -4.17 2.68 -0.29 3.52 2.81 0.07 -4.46 117.12 117.28 2k06 n MET 35 Ca -0.28 -2.50 0.17 0.00 -1.81 0.00 0.00 57.70 53.27 2k06 n MET 35 Cb 0.67 -1.52 0.43 0.00 -0.71 0.00 0.00 33.22 32.09 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 4.01 0.55 -0.77 0.03 5.08 -1.86 0.31 114.58 121.93 2k06 h GLU 36 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k06 h GLU 36 Cb 0.95 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 2k06 h GLU 36 CO 0.00 0.36 0.49 -0.44 -1.00 0.00 0.00 179.01 178.42 2k06 h ASP 37 N 0.56 0.90 0.16 1.42 3.32 -1.97 -3.03 116.42 117.80 2k06 h ASP 37 Ca 0.52 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.52 2k06 h ASP 37 Cb 1.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2k06 h ASP 37 CO -0.26 0.67 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.79 2k06 h LEU 38 N 1.06 -0.19 -9.70 1.55 3.38 -0.77 -3.44 115.31 107.20 2k06 h LEU 38 Ca 0.28 -0.33 -0.52 0.00 0.09 0.00 0.00 57.88 57.40 2k06 h LEU 38 Cb -0.09 0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.73 2k06 h LEU 38 CO -0.06 0.37 0.55 -0.36 0.09 0.00 0.00 178.44 179.04 2k06 s PHE 39 N -3.23 3.42 -0.00 1.13 0.40 -0.48 -3.37 117.98 115.85 2k06 s PHE 39 Ca -0.12 1.46 -0.02 0.00 -0.60 0.00 0.00 56.93 57.65 2k06 s PHE 39 Cb 0.00 -3.43 -0.01 0.00 0.51 0.00 0.00 43.02 40.09 2k06 s PHE 39 CO 0.43 -1.17 -0.05 0.41 0.70 0.00 0.00 175.22 175.55 2k06 n GLY 40 N 1.94 -0.16 3.05 4.36 0.00 -0.46 -4.75 105.19 109.18 2k06 n GLY 40 Ca 0.03 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.47 0.50 0.20 1.61 2.02 -1.26 -4.99 118.70 115.31 2k06 s GLU 41 Ca -0.04 -0.85 0.10 0.00 0.02 0.00 0.00 54.97 54.20 2k06 s GLU 41 Cb 0.01 -0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 2k06 s GLU 41 CO 0.06 -0.02 -0.15 0.08 0.02 0.00 0.00 175.26 175.25 2k06 s VAL 42 N -2.07 2.85 -0.03 2.63 1.01 -1.26 -0.77 120.40 122.76 2k06 s VAL 42 Ca -0.07 -1.88 0.07 0.00 0.00 0.00 0.00 61.98 60.10 2k06 s VAL 42 Cb -0.05 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 2k06 s VAL 42 CO -0.02 -0.16 -0.25 -0.04 0.00 0.00 0.00 175.10 174.63 2k06 s MET 43 N -2.90 2.16 -0.37 2.72 -1.94 0.12 -4.98 119.30 114.11 2k06 s MET 43 Ca 0.24 -0.89 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 2k06 s MET 43 Cb -0.08 -2.01 0.15 0.00 2.01 0.00 0.00 34.83 34.91 2k06 s MET 43 CO 0.14 0.49 0.33 0.08 -0.01 0.00 0.00 175.02 176.05 2k06 s VAL 44 N -0.47 -0.21 0.04 -6.03 1.01 -1.26 -3.74 120.40 109.74 2k06 s VAL 44 Ca 0.06 -1.18 0.33 0.00 0.00 0.00 0.00 61.98 61.19 2k06 s VAL 44 Cb -0.11 -0.78 0.38 0.00 0.00 0.00 0.00 36.38 35.87 2k06 s VAL 44 CO 0.00 -0.69 1.96 1.55 0.00 0.00 0.00 175.10 177.92 2k06 h PRO 45 N 7.04 0.00 -0.01 2.72 0.13 -1.98 -2.49 132.00 137.41 2k06 h PRO 45 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2k06 h PRO 45 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2k06 h PRO 45 CO 0.22 0.00 -0.20 -2.37 -0.23 0.00 0.00 178.00 175.41 2k06 n THR 46 N -2.99 0.00 -0.89 1.56 5.66 -1.26 -5.04 114.28 111.32 2k06 n THR 46 Ca 0.01 -0.14 0.11 0.00 -3.05 0.00 0.00 64.05 60.98 2k06 n THR 46 Cb 0.29 0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 69.39 2k06 n THR 46 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k06 n GLU 47 N -0.57 -1.70 -0.04 1.09 1.02 -0.94 -3.81 120.64 115.68 2k06 n GLU 47 Ca 0.13 1.16 -0.01 0.00 -0.02 0.00 0.00 57.16 58.43 2k06 n GLU 47 Cb 0.34 -2.12 0.27 0.00 -0.02 0.00 0.00 31.44 29.91 2k06 n GLU 47 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k06 h GLU 48 N -0.89 0.63 -5.43 3.49 5.08 -1.96 -3.42 114.58 112.08 2k06 h GLU 48 Ca -0.00 -0.12 -0.64 0.00 -1.00 0.00 0.00 59.36 57.60 2k06 h GLU 48 Cb 1.20 -0.10 -0.32 0.00 0.50 0.00 0.00 28.75 30.03 2k06 h GLU 48 CO 0.01 0.60 -0.86 0.08 -1.00 0.00 0.00 179.01 177.84 2k06 s VAL 49 N -5.09 1.82 0.15 3.13 1.01 -1.25 -4.96 120.40 115.20 2k06 s VAL 49 Ca -0.08 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 2k06 s VAL 49 Cb 0.16 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.99 2k06 s VAL 49 CO 0.77 0.51 1.70 1.62 0.00 0.00 0.00 175.10 179.70 2k06 h VAL 50 N 5.46 1.20 -3.68 2.92 3.04 -1.81 -3.43 116.25 119.96 2k06 h VAL 50 Ca -0.27 -0.63 -0.25 0.00 -1.01 0.00 0.00 66.70 64.54 2k06 h VAL 50 Cb 1.20 0.76 -0.30 0.00 -2.01 0.00 0.00 31.29 30.94 2k06 h VAL 50 CO 0.47 0.23 -0.72 -0.70 -1.01 0.00 0.00 177.57 175.84 2k06 s GLU 51 N -5.57 0.01 0.20 4.17 2.12 -1.26 -5.02 118.70 113.36 2k06 s GLU 51 Ca -0.13 0.04 -0.10 0.00 0.36 0.00 0.00 54.97 55.14 2k06 s GLU 51 Cb 0.11 -0.09 0.14 0.00 0.26 0.00 0.00 34.13 34.55 2k06 s GLU 51 CO 0.76 -0.04 1.82 0.82 -0.54 0.00 0.00 175.26 178.08 2k06 h ILE 52 N 5.45 1.23 -0.50 -3.70 2.04 -2.03 -1.74 117.51 118.26 2k06 h ILE 52 Ca -0.30 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.07 2k06 h ILE 52 Cb 1.19 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2k06 h ILE 52 CO 0.50 0.25 0.34 0.03 0.00 0.00 0.00 178.15 179.28 2k06 h ARG 53 N 1.03 0.31 0.00 2.37 3.08 -2.00 -3.47 114.38 115.69 2k06 h ARG 53 Ca 0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2k06 h ARG 53 Cb 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2k06 h ARG 53 CO -0.04 0.20 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 2k06 n GLY 54 N -1.54 0.50 1.25 0.04 0.00 -0.66 -4.95 105.19 99.84 2k06 n GLY 54 Ca 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.78 0.28 -0.02 0.00 -1.26 -4.88 105.19 100.08 2k06 n GLY 55 Ca 0.00 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.00 -0.12 1.61 4.20 -1.93 -0.53 115.11 118.34 2k06 h GLN 56 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2k06 h GLN 56 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2k06 h GLN 56 CO 0.00 0.00 0.08 0.00 -0.67 0.00 0.00 178.83 178.24 2k06 h ARG 57 N 0.00 0.05 -6.17 1.46 3.08 -2.03 -3.43 114.38 107.34 2k06 h ARG 57 Ca 0.01 -0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.46 2k06 h ARG 57 Cb 0.05 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 29.97 2k06 h ARG 57 CO -0.00 0.03 -0.72 1.03 -1.07 0.00 0.00 179.97 179.24 2k06 s ARG 58 N -5.10 1.85 -0.26 0.04 0.52 -0.21 -4.85 118.95 110.94 2k06 s ARG 58 Ca -0.05 -1.70 -0.01 0.00 -0.52 0.00 0.00 55.73 53.45 2k06 s ARG 58 Cb 0.17 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.78 2k06 s ARG 58 CO 0.68 0.31 0.24 1.17 0.02 0.00 0.00 175.30 177.72 2k06 n LYS 59 N -0.72 -0.50 0.03 3.54 4.81 -1.26 -4.91 118.16 119.16 2k06 n LYS 59 Ca -0.05 0.64 0.09 0.00 -0.87 0.00 0.00 58.31 58.12 2k06 n LYS 59 Cb 0.60 -2.84 0.52 0.00 0.02 0.00 0.00 35.03 33.34 2k06 n LYS 59 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2k06 h SER 60 N -0.01 0.29 -4.03 3.14 0.02 -1.88 -3.42 113.55 107.66 2k06 h SER 60 Ca -0.06 -0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.38 2k06 h SER 60 Cb 1.03 -0.06 0.08 0.00 0.14 0.00 0.00 62.40 63.58 2k06 h SER 60 CO 0.11 0.20 0.49 -0.70 -1.14 0.00 0.00 176.83 175.78 2k06 s GLU 61 N -5.32 3.55 -0.13 3.45 2.12 -1.26 -5.02 118.70 116.08 2k06 s GLU 61 Ca -0.07 1.80 0.01 0.00 0.36 0.00 0.00 54.97 57.07 2k06 s GLU 61 Cb 0.18 -2.27 -0.00 0.00 0.26 0.00 0.00 34.13 32.29 2k06 s GLU 61 CO 0.72 -0.73 -0.17 1.03 -0.54 0.00 0.00 175.26 175.57 2k06 s ARG 62 N -2.88 3.21 0.47 4.30 1.81 -1.26 -4.99 118.95 119.61 2k06 s ARG 62 Ca 0.67 -0.77 0.14 0.00 -1.72 0.00 0.00 55.73 54.05 2k06 s ARG 62 Cb -0.29 -2.52 1.08 0.00 -0.45 0.00 0.00 34.95 32.77 2k06 s ARG 62 CO 0.34 0.13 2.07 0.87 -0.68 0.00 0.00 175.30 178.03 2k06 h LYS 63 N 6.94 0.11 -6.80 3.54 1.57 -1.96 -3.43 116.57 116.54 2k06 h LYS 63 Ca -0.26 -0.01 -0.44 0.00 -1.87 0.00 0.00 60.65 58.06 2k06 h LYS 63 Cb 1.21 -0.02 0.05 0.00 0.08 0.00 0.00 32.23 33.55 2k06 h LYS 63 CO 0.53 0.14 -0.05 -0.06 -0.57 0.00 0.00 179.45 179.44 2k06 s PHE 64 N -4.98 2.63 -0.91 -1.35 0.08 -1.26 -5.04 117.98 107.14 2k06 s PHE 64 Ca -0.05 -0.14 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 2k06 s PHE 64 Cb 0.17 -2.70 0.22 0.00 -0.57 0.00 0.00 43.02 40.14 2k06 s PHE 64 CO 0.69 -0.92 0.80 -0.59 -0.10 0.00 0.00 175.22 175.10 2k06 s PHE 65 N -2.74 3.92 0.87 0.36 -0.71 -1.26 -5.06 117.98 113.35 2k06 s PHE 65 Ca 0.58 -2.99 -0.11 0.00 -1.04 0.00 0.00 56.93 53.37 2k06 s PHE 65 Cb -0.09 -3.30 0.11 0.00 -1.21 0.00 0.00 43.02 38.53 2k06 s PHE 65 CO 0.38 -0.76 1.09 -1.25 -1.34 0.00 0.00 175.22 173.34 2k06 s PRO 66 N -1.30 1.50 0.00 1.99 0.04 -1.26 -4.15 135.00 131.81 2k06 s PRO 66 Ca 0.27 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2k06 s PRO 66 Cb -0.08 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2k06 s PRO 66 CO -0.12 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 175.24 2k06 n GLY 67 N -1.20 0.84 3.18 0.56 0.00 -1.26 -4.87 105.19 102.43 2k06 n GLY 67 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.13 2.65 0.02 1.61 1.51 -1.26 -1.47 117.35 118.28 2k06 s TYR 68 Ca 0.00 -1.30 0.04 0.00 -1.01 0.00 0.00 57.07 54.80 2k06 s TYR 68 Cb 0.00 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 2k06 s TYR 68 CO 0.00 -0.58 -0.11 0.08 -1.11 0.00 0.00 175.55 173.83 2k06 s VAL 69 N 0.74 0.86 -0.18 0.71 1.01 -0.32 -4.91 120.40 118.31 2k06 s VAL 69 Ca -0.09 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 2k06 s VAL 69 Cb -0.16 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2k06 s VAL 69 CO -0.00 0.07 0.00 -0.76 0.00 0.00 0.00 175.10 174.41 2k06 s LEU 70 N -0.72 3.37 -0.03 3.92 1.02 -1.25 0.93 118.68 125.93 2k06 s LEU 70 Ca 0.01 -0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.06 2k06 s LEU 70 Cb -0.06 -1.84 0.01 0.00 0.02 0.00 0.00 46.19 44.32 2k06 s LEU 70 CO 0.00 0.12 -0.07 -0.69 0.02 0.00 0.00 176.35 175.73 2k06 s VAL 71 N 0.67 0.66 0.04 -1.59 1.01 0.27 0.14 120.40 121.60 2k06 s VAL 71 Ca -0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 2k06 s VAL 71 Cb -0.14 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2k06 s VAL 71 CO 0.02 0.23 0.78 -1.58 0.00 0.00 0.00 175.10 174.55 2k06 s GLN 72 N 0.50 4.50 -0.14 2.72 0.74 0.05 -1.12 119.66 126.92 2k06 s GLN 72 Ca -0.07 1.08 -0.34 0.00 0.05 0.00 0.00 55.36 56.08 2k06 s GLN 72 Cb -0.11 -3.38 0.13 0.00 1.10 0.00 0.00 33.01 30.76 2k06 s GLN 72 CO 0.01 0.25 1.22 1.41 -0.55 0.00 0.00 175.29 177.62 2k06 s MET 73 N 0.07 0.35 -0.00 1.67 1.75 0.09 -1.35 119.30 121.87 2k06 s MET 73 Ca 0.39 -0.15 -0.01 0.00 -1.25 0.00 0.00 55.69 54.67 2k06 s MET 73 Cb -0.20 0.15 -0.04 0.00 2.84 0.00 0.00 34.83 37.58 2k06 s MET 73 CO 0.23 -0.16 0.10 0.14 -0.65 0.00 0.00 175.02 174.69 2k06 s VAL 74 N -2.44 4.87 -0.17 10.11 -7.23 -1.22 -3.55 120.40 120.77 2k06 s VAL 74 Ca 0.11 -0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 59.62 2k06 s VAL 74 Cb 0.00 -3.24 -0.00 0.00 0.56 0.00 0.00 36.38 33.70 2k06 s VAL 74 CO -0.04 0.34 1.05 -0.04 -0.31 0.00 0.00 175.10 176.10 2k06 s MET 75 N -1.79 4.33 0.00 4.82 -1.94 -1.26 -4.91 119.30 118.55 2k06 s MET 75 Ca 0.24 1.41 0.00 0.00 -1.71 0.00 0.00 55.69 55.63 2k06 s MET 75 Cb -0.12 -3.61 0.00 0.00 2.01 0.00 0.00 34.83 33.11 2k06 s MET 75 CO 0.15 -0.50 0.00 0.27 -0.01 0.00 0.00 175.02 174.93 2k06 n ASN 76 N 5.76 0.00 -0.10 3.03 6.94 -1.26 -5.06 115.26 124.57 2k06 n ASN 76 Ca 0.11 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.68 2k06 n ASN 76 Cb 0.47 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.90 2k06 n ASN 76 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2k06 n ASP 77 N 0.00 1.29 0.00 0.53 5.68 -1.26 -4.59 116.55 118.20 2k06 n ASP 77 Ca 0.00 -1.18 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 2k06 n ASP 77 Cb 0.00 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2k06 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k06 n ALA 78 N 0.11 1.72 0.11 2.12 0.00 -1.26 -4.70 120.51 118.60 2k06 n ALA 78 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 2k06 n ALA 78 Cb 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.41 2k06 n ALA 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k06 h SER 79 N 0.00 0.58 -0.08 0.00 0.02 -1.91 -2.85 113.55 109.31 2k06 h SER 79 Ca 0.00 -0.59 0.03 0.00 -0.84 0.00 0.00 61.79 60.39 2k06 h SER 79 Cb 0.00 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2k06 h SER 79 CO 0.00 1.44 -0.10 -0.25 -1.14 0.00 0.00 176.83 176.77 2k06 h TRP 80 N 0.14 -0.26 -0.14 3.45 7.01 -1.84 -1.06 115.95 123.25 2k06 h TRP 80 Ca -0.16 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.78 2k06 h TRP 80 Cb 1.95 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 29.12 2k06 h TRP 80 CO 0.08 -0.16 -0.24 0.45 -2.79 0.00 0.00 178.44 175.78 2k06 h HIS 81 N -0.14 0.26 -0.59 2.65 3.86 -1.84 -2.52 115.15 116.83 2k06 h HIS 81 Ca 0.07 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2k06 h HIS 81 Cb 0.24 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 2k06 h HIS 81 CO -0.21 0.47 0.22 1.25 0.86 0.00 0.00 177.93 180.52 2k06 h LEU 82 N 0.22 0.80 0.00 2.43 6.46 -1.04 0.24 115.31 124.42 2k06 h LEU 82 Ca 0.04 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2k06 h LEU 82 Cb 0.55 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2k06 h LEU 82 CO 0.04 0.73 -0.00 0.58 -0.62 0.00 0.00 178.44 179.17 2k06 h VAL 83 N 0.85 1.36 -0.54 1.05 2.07 -0.81 -2.89 116.25 117.34 2k06 h VAL 83 Ca 0.20 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2k06 h VAL 83 Cb 0.20 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2k06 h VAL 83 CO -0.01 0.27 0.30 -0.09 0.02 0.00 0.00 177.57 178.06 2k06 h ARG 84 N -0.45 0.74 -0.08 1.57 2.43 -1.31 -1.08 114.38 116.20 2k06 h ARG 84 Ca -0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2k06 h ARG 84 Cb 0.45 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2k06 h ARG 84 CO 0.00 0.54 0.03 1.03 -1.51 0.00 0.00 179.97 180.06 2k06 h SER 85 N 0.75 0.10 -2.37 -3.80 0.87 -0.85 -3.41 113.55 104.84 2k06 h SER 85 Ca 0.19 -0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.20 2k06 h SER 85 Cb 0.01 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2k06 h SER 85 CO -0.03 0.09 1.25 -0.69 -0.53 0.00 0.00 176.83 176.92 2k06 s VAL 86 N -5.10 3.15 0.95 2.23 1.01 -0.41 -4.96 120.40 117.27 2k06 s VAL 86 Ca -0.06 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 2k06 s VAL 86 Cb 0.17 -3.13 0.16 0.00 0.00 0.00 0.00 36.38 33.58 2k06 s VAL 86 CO 0.69 -0.03 1.09 -2.16 0.00 0.00 0.00 175.10 174.69 2k06 s PRO 87 N 4.75 0.80 -1.72 2.72 0.04 -1.26 -3.73 135.00 136.60 2k06 s PRO 87 Ca 0.87 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2k06 s PRO 87 Cb -0.38 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2k06 s PRO 87 CO 0.38 -2.50 0.00 0.54 0.04 0.00 0.00 177.00 175.45 2k06 n ARG 88 N -4.03 -1.60 -5.02 4.56 5.12 -1.26 -4.75 116.66 109.68 2k06 n ARG 88 Ca 0.06 0.98 -0.30 0.00 -1.93 0.00 0.00 57.85 56.66 2k06 n ARG 88 Cb 0.57 -5.59 -0.17 0.00 -1.16 0.00 0.00 32.46 26.11 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 -3.00 1.76 -0.03 1.55 0.11 -1.24 -3.34 120.40 116.22 2k06 s VAL 89 Ca 0.00 -0.85 -0.25 0.00 -2.93 0.00 0.00 61.98 57.95 2k06 s VAL 89 Cb 0.00 -1.54 -0.20 0.00 -1.53 0.00 0.00 36.38 33.11 2k06 s VAL 89 CO 0.00 0.49 1.21 0.24 -3.33 0.00 0.00 175.10 173.71 2k06 h MET 90 N 6.78 -0.06 0.00 1.54 2.86 -1.76 -3.48 114.93 120.81 2k06 h MET 90 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2k06 h MET 90 Cb 1.22 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2k06 h MET 90 CO 0.47 0.42 0.00 0.41 1.06 0.00 0.00 176.91 179.27 2k06 n GLY 91 N 0.26 -0.63 3.71 8.32 0.00 -1.26 -5.02 105.19 110.57 2k06 n GLY 91 Ca -0.09 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.88 2.56 -0.13 1.61 0.08 -1.26 -2.63 117.98 114.34 2k06 s PHE 92 Ca 0.00 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.46 2k06 s PHE 92 Cb 0.00 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.55 2k06 s PHE 92 CO 0.00 0.25 -0.20 0.42 -0.10 0.00 0.00 175.22 175.59 2k06 s ILE 93 N -2.64 1.87 -2.57 0.64 -1.09 -1.14 -4.86 121.20 111.41 2k06 s ILE 93 Ca 0.39 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 2k06 s ILE 93 Cb 0.05 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 39.27 2k06 s ILE 93 CO 0.21 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 2k06 n GLY 94 N 4.08 -0.78 0.38 6.18 0.00 -1.26 -4.33 105.19 109.47 2k06 n GLY 94 Ca -0.20 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.80 -0.75 -0.02 0.00 -1.87 -3.45 103.07 96.19 2k06 h GLY 95 Ca 0.00 0.44 -0.62 0.00 0.00 0.00 0.00 47.33 47.14 2k06 h GLY 95 CO 0.00 -0.28 -0.51 -0.51 0.00 0.00 0.00 176.54 175.24 2k06 s THR 96 N -5.97 0.80 -0.95 4.70 -4.23 -1.25 -5.02 115.64 103.72 2k06 s THR 96 Ca -0.16 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.46 2k06 s THR 96 Cb 0.07 -2.21 0.53 0.00 1.34 0.00 0.00 72.50 72.23 2k06 s THR 96 CO 0.63 0.00 1.37 -1.54 -0.54 0.00 0.00 174.62 174.54 2k06 n SER 97 N -1.35 3.82 0.00 3.99 3.41 -1.26 -3.89 113.62 118.34 2k06 n SER 97 Ca -0.13 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 2k06 n SER 97 Cb 0.66 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2k06 n SER 97 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k06 n ASP 98 N 0.61 4.97 -3.43 4.04 2.03 -1.26 -4.87 116.55 118.64 2k06 n ASP 98 Ca 0.19 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.24 2k06 n ASP 98 Cb 0.76 0.56 -0.11 0.00 -0.72 0.00 0.00 41.12 41.62 2k06 n ASP 98 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k06 s ARG 99 N -1.99 0.55 -0.04 -0.67 0.52 -1.25 -5.05 118.95 111.01 2k06 s ARG 99 Ca 0.00 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 53.79 2k06 s ARG 99 Cb 0.00 -1.10 -0.06 0.00 0.52 0.00 0.00 34.95 34.31 2k06 s ARG 99 CO 0.00 -1.19 1.67 -1.25 0.02 0.00 0.00 175.30 174.55 2k06 s PRO 100 N 1.25 4.18 0.48 3.54 0.04 -1.26 -3.89 135.00 139.34 2k06 s PRO 100 Ca 0.17 2.22 -0.22 0.00 0.04 0.00 0.00 61.00 63.21 2k06 s PRO 100 Cb -0.20 -3.98 -0.07 0.00 0.04 0.00 0.00 34.50 30.29 2k06 s PRO 100 CO -0.03 -0.85 1.17 0.00 0.04 0.00 0.00 177.00 177.34 2k06 s ALA 101 N 3.99 2.92 0.61 8.56 0.00 -1.26 -4.86 121.76 131.72 2k06 s ALA 101 Ca 0.74 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 53.47 2k06 s ALA 101 Cb -0.34 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 2k06 s ALA 101 CO 0.30 -0.71 1.12 -1.25 0.00 0.00 0.00 175.76 175.22 2k06 s PRO 102 N -2.80 3.05 0.20 0.00 0.04 -1.26 -4.75 135.00 129.49 2k06 s PRO 102 Ca 0.65 1.48 0.09 0.00 0.04 0.00 0.00 61.00 63.26 2k06 s PRO 102 Cb -0.28 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2k06 s PRO 102 CO 0.34 -1.07 -0.04 0.96 0.04 0.00 0.00 177.00 177.23 2k06 s ILE 103 N -2.10 3.40 0.54 0.56 -4.36 -1.10 -5.01 121.20 113.14 2k06 s ILE 103 Ca 0.69 -1.67 -0.18 0.00 -0.26 0.00 0.00 60.65 59.23 2k06 s ILE 103 Cb -0.22 -2.73 -0.06 0.00 1.25 0.00 0.00 42.46 40.70 2k06 s ILE 103 CO 0.35 -0.19 1.05 -0.44 0.24 0.00 0.00 174.94 175.95 2k06 s SER 104 N -3.11 6.07 0.33 4.36 0.01 -1.26 -4.35 113.70 115.75 2k06 s SER 104 Ca 0.27 1.88 0.04 0.00 1.31 0.00 0.00 55.95 59.45 2k06 s SER 104 Cb -0.08 -2.55 0.64 0.00 0.21 0.00 0.00 66.02 64.24 2k06 s SER 104 CO 0.17 -0.97 1.91 0.44 0.41 0.00 0.00 173.24 175.21 2k06 h ASP 105 N 1.03 0.80 -0.82 2.44 3.32 -1.99 -0.90 116.42 120.29 2k06 h ASP 105 Ca -0.48 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.62 2k06 h ASP 105 Cb 1.22 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 2k06 h ASP 105 CO 0.58 0.49 0.52 0.50 -1.72 0.00 0.00 179.24 179.61 2k06 h LYS 106 N 0.89 0.95 -0.53 3.56 3.64 -1.99 -1.82 116.57 121.27 2k06 h LYS 106 Ca 0.39 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2k06 h LYS 106 Cb 0.34 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2k06 h LYS 106 CO -0.15 0.63 0.32 0.93 -2.27 0.00 0.00 179.45 178.91 2k06 h GLU 107 N 0.98 0.62 -0.97 1.90 5.08 -1.53 0.39 114.58 121.04 2k06 h GLU 107 Ca 0.34 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2k06 h GLU 107 Cb 0.07 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 2k06 h GLU 107 CO -0.13 0.41 0.64 0.28 -1.00 0.00 0.00 179.01 179.21 2k06 h VAL 108 N 0.63 1.21 -0.17 3.13 2.07 -1.14 -1.41 116.25 120.57 2k06 h VAL 108 Ca 0.21 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 2k06 h VAL 108 Cb 0.02 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.60 2k06 h VAL 108 CO -0.09 0.23 -0.43 0.44 0.02 0.00 0.00 177.57 177.74 2k06 h ASP 109 N 1.28 0.43 -0.55 0.57 3.32 -0.62 -3.02 116.42 117.83 2k06 h ASP 109 Ca 0.37 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2k06 h ASP 109 Cb -0.08 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2k06 h ASP 109 CO -0.10 0.81 0.36 0.00 -1.72 0.00 0.00 179.24 178.59 2k06 h ALA 110 N 1.21 0.70 0.01 3.45 0.00 0.13 0.20 119.26 124.96 2k06 h ALA 110 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k06 h ALA 110 Cb 0.90 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2k06 h ALA 110 CO 0.08 0.15 -0.26 0.82 0.00 0.00 0.00 179.25 180.04 2k06 h ILE 111 N 0.75 0.41 -0.50 0.00 2.04 -1.31 -1.43 117.51 117.47 2k06 h ILE 111 Ca 0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 2k06 h ILE 111 Cb -0.07 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2k06 h ILE 111 CO -0.04 0.00 0.07 -0.03 0.00 0.00 0.00 178.15 178.15 2k06 h MET 112 N -0.40 0.78 -0.75 2.37 4.05 -1.48 -2.64 114.93 116.86 2k06 h MET 112 Ca 0.06 -0.18 0.13 0.00 -0.28 0.00 0.00 59.70 59.43 2k06 h MET 112 Cb 0.48 -0.11 -0.09 0.00 -0.80 0.00 0.00 31.60 31.08 2k06 h MET 112 CO -0.22 0.74 0.32 -0.97 0.23 0.00 0.00 176.91 177.01 2k06 h ASN 113 N 0.75 0.33 -0.53 1.39 -0.73 0.41 -0.91 115.58 116.28 2k06 h ASN 113 Ca 0.16 0.10 0.11 0.00 1.87 0.00 0.00 56.30 58.53 2k06 h ASN 113 Cb 0.35 0.06 -0.10 0.00 0.27 0.00 0.00 38.32 38.90 2k06 h ASN 113 CO 0.01 0.14 -0.15 0.03 -0.37 0.00 0.00 177.43 177.08 2k06 h ARG 114 N 0.48 -0.03 -0.77 6.67 3.08 -0.97 0.24 114.38 123.09 2k06 h ARG 114 Ca 0.40 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.57 2k06 h ARG 114 Cb 0.57 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.55 2k06 h ARG 114 CO -0.37 -0.02 0.39 1.25 -1.07 0.00 0.00 179.97 180.15 2k06 h LEU 115 N -0.03 0.49 -1.16 3.04 5.85 -1.26 0.15 115.31 122.40 2k06 h LEU 115 Ca 0.25 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 2k06 h LEU 115 Cb 0.41 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2k06 h LEU 115 CO -0.56 0.25 -0.42 1.56 -0.34 0.00 0.00 178.44 178.94 2k06 h GLN 116 N 0.61 0.00 -0.70 1.25 4.20 -0.52 -2.64 115.11 117.32 2k06 h GLN 116 Ca 0.40 0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.30 2k06 h GLN 116 Cb 0.48 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2k06 h GLN 116 CO -0.31 0.42 0.49 0.37 -0.67 0.00 0.00 178.83 179.13 2k06 h GLN 117 N 0.00 0.08 -5.43 1.46 5.75 0.23 -3.38 115.11 113.81 2k06 h GLN 117 Ca -0.00 -0.00 -0.63 0.00 -0.15 0.00 0.00 58.65 57.86 2k06 h GLN 117 Cb 0.75 -0.02 -0.10 0.00 1.07 0.00 0.00 27.48 29.18 2k06 h GLN 117 CO 0.05 0.05 -0.49 0.08 -2.65 0.00 0.00 178.83 175.88 2k06 s VAL 118 N -5.08 5.40 -0.53 2.39 1.01 -1.00 -5.04 120.40 117.56 2k06 s VAL 118 Ca -0.06 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 2k06 s VAL 118 Cb 0.21 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 33.19 2k06 s VAL 118 CO 0.75 0.52 1.30 -0.83 0.00 0.00 0.00 175.10 176.84 2k06 s GLY 119 N -0.22 1.07 0.30 4.51 0.00 -1.26 -4.87 107.32 106.85 2k06 s GLY 119 Ca 0.11 -0.59 0.05 0.00 0.00 0.00 0.00 44.72 44.28 2k06 s GLY 119 CO 0.01 2.64 1.81 -0.55 0.00 0.00 0.00 173.10 177.01 2k06 h ASP 120 N 10.22 0.82 -5.25 1.64 3.32 -1.91 -3.43 116.42 121.84 2k06 h ASP 120 Ca -0.26 0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.66 2k06 h ASP 120 Cb 1.08 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 2k06 h ASP 120 CO 1.16 0.36 -0.65 -0.54 -1.72 0.00 0.00 179.24 177.85 2k06 s LYS 121 N -5.87 0.95 0.55 3.56 1.02 -1.26 -5.03 119.74 113.66 2k06 s LYS 121 Ca -0.11 -1.45 0.34 0.00 0.02 0.00 0.00 55.97 54.76 2k06 s LYS 121 Cb 0.24 0.15 1.42 0.00 -0.52 0.00 0.00 37.83 39.11 2k06 s LYS 121 CO 0.80 -0.23 2.00 -1.00 -0.92 0.00 0.00 175.35 176.01 2k06 h PRO 122 N 2.84 0.00 0.00 -1.68 0.13 -2.03 -3.54 132.00 127.71 2k06 h PRO 122 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2k06 h PRO 122 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k06 h PRO 122 CO 0.60 0.02 0.00 0.54 -0.23 0.00 0.00 178.00 178.93