#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 2.86 0.39 7.83 0.15 -1.26 -5.01 113.70 118.66 2k06 s SER 2 Ca 0.00 -0.45 0.10 0.00 0.70 0.00 0.00 55.95 56.30 2k06 s SER 2 Cb 0.00 -0.45 0.87 0.00 -1.71 0.00 0.00 66.02 64.73 2k06 s SER 2 CO 0.00 0.28 1.94 -0.08 1.20 0.00 0.00 173.24 176.58 2k06 h GLU 3 N 5.69 0.59 -3.20 5.44 4.81 -2.11 -3.29 114.58 122.51 2k06 h GLU 3 Ca -0.39 -0.04 -0.63 0.00 -0.13 0.00 0.00 59.36 58.18 2k06 h GLU 3 Cb 1.14 -0.13 -0.41 0.00 0.63 0.00 0.00 28.75 29.98 2k06 h GLU 3 CO 0.47 0.39 -0.68 0.00 -0.73 0.00 0.00 179.01 178.47 2k06 s ALA 4 N -5.56 2.83 0.47 2.92 0.00 -1.26 -5.10 121.76 116.05 2k06 s ALA 4 Ca -0.09 -3.00 -0.22 0.00 0.00 0.00 0.00 51.96 48.65 2k06 s ALA 4 Cb 0.20 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 2k06 s ALA 4 CO 0.77 -2.04 1.15 -1.25 0.00 0.00 0.00 175.76 174.39 2k06 s PRO 5 N -0.05 3.74 0.16 0.00 0.04 -1.24 -5.00 135.00 132.65 2k06 s PRO 5 Ca 0.17 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 2k06 s PRO 5 Cb -0.25 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 31.86 2k06 s PRO 5 CO -0.00 -0.55 0.96 0.15 0.04 0.00 0.00 177.00 177.59 2k06 s LYS 6 N -2.77 4.75 0.02 4.56 1.02 -1.26 -5.04 119.74 121.02 2k06 s LYS 6 Ca 0.64 1.48 0.00 0.00 0.02 0.00 0.00 55.97 58.11 2k06 s LYS 6 Cb -0.27 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 2k06 s LYS 6 CO 0.33 0.32 0.10 0.15 -0.92 0.00 0.00 175.35 175.33 2k06 s LYS 7 N -0.46 3.10 0.17 1.68 1.02 -1.26 -4.93 119.74 119.05 2k06 s LYS 7 Ca 0.45 -0.51 0.10 0.00 0.02 0.00 0.00 55.97 56.03 2k06 s LYS 7 Cb -0.25 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 2k06 s LYS 7 CO 0.31 0.63 -0.17 1.03 -0.92 0.00 0.00 175.35 176.23 2k06 s ARG 8 N -1.97 1.78 -0.18 1.68 0.52 -1.26 -4.95 118.95 114.57 2k06 s ARG 8 Ca 0.26 -1.34 -0.10 0.00 -0.52 0.00 0.00 55.73 54.03 2k06 s ARG 8 Cb -0.12 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.27 2k06 s ARG 8 CO 0.17 0.43 0.15 -1.58 0.02 0.00 0.00 175.30 174.49 2k06 s TRP 9 N -1.53 3.45 0.01 -0.53 0.52 -1.26 -1.19 118.94 118.41 2k06 s TRP 9 Ca 0.21 0.39 0.08 0.00 0.02 0.00 0.00 56.10 56.80 2k06 s TRP 9 Cb -0.09 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 2k06 s TRP 9 CO 0.12 0.37 -0.23 0.71 0.02 0.00 0.00 176.95 177.94 2k06 s TYR 10 N 0.09 2.06 0.23 -1.98 2.02 -0.39 -3.14 117.35 116.24 2k06 s TYR 10 Ca 0.10 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.23 2k06 s TYR 10 Cb -0.11 -1.29 -0.08 0.00 -0.40 0.00 0.00 41.96 40.08 2k06 s TYR 10 CO -0.00 0.02 0.69 0.08 -1.57 0.00 0.00 175.55 174.77 2k06 s VAL 11 N -0.64 4.65 -0.11 0.71 1.01 -1.26 -1.67 120.40 123.08 2k06 s VAL 11 Ca 0.09 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.21 2k06 s VAL 11 Cb -0.09 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.52 2k06 s VAL 11 CO 0.00 0.14 -0.14 -0.69 0.00 0.00 0.00 175.10 174.41 2k06 s VAL 12 N -1.60 1.44 -0.04 2.92 1.01 0.33 -3.14 120.40 121.32 2k06 s VAL 12 Ca 0.44 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 2k06 s VAL 12 Cb -0.15 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2k06 s VAL 12 CO 0.20 0.43 0.65 -1.58 0.00 0.00 0.00 175.10 174.80 2k06 s GLN 13 N 1.03 4.40 0.13 2.72 2.00 -0.89 -1.77 119.66 127.28 2k06 s GLN 13 Ca -0.06 0.81 -0.01 0.00 -2.00 0.00 0.00 55.36 54.11 2k06 s GLN 13 Cb -0.15 -3.41 -0.04 0.00 0.80 0.00 0.00 33.01 30.22 2k06 s GLN 13 CO -0.02 0.19 0.04 0.00 -0.50 0.00 0.00 175.29 175.00 2k06 s ALA 14 N 0.39 0.90 0.33 1.58 0.00 0.79 0.16 121.76 125.91 2k06 s ALA 14 Ca 0.35 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 2k06 s ALA 14 Cb -0.18 0.78 -0.10 0.00 0.00 0.00 0.00 23.12 23.62 2k06 s ALA 14 CO 0.18 -0.46 1.26 -0.06 0.00 0.00 0.00 175.76 176.67 2k06 s PHE 15 N -3.99 3.15 0.56 0.00 0.08 -1.25 -4.16 117.98 112.37 2k06 s PHE 15 Ca 0.23 1.48 -0.20 0.00 0.12 0.00 0.00 56.93 58.57 2k06 s PHE 15 Cb 0.07 -3.58 -0.05 0.00 -0.57 0.00 0.00 43.02 38.90 2k06 s PHE 15 CO 0.01 -1.56 1.19 -1.12 -0.10 0.00 0.00 175.22 173.64 2k06 s SER 16 N -0.62 5.43 0.00 1.36 0.01 -1.26 -2.69 113.70 115.94 2k06 s SER 16 Ca 0.49 2.35 0.00 0.00 1.31 0.00 0.00 55.95 60.10 2k06 s SER 16 Cb -0.38 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.26 2k06 s SER 16 CO 0.49 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 173.33 2k06 n GLY 17 N 0.43 2.50 0.69 3.44 0.00 -1.26 -4.65 105.19 106.35 2k06 n GLY 17 Ca 0.12 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.45 -0.34 1.61 3.72 -1.09 -4.57 117.46 117.24 2k06 n PHE 18 Ca 0.00 -0.42 0.04 0.00 -0.05 0.00 0.00 57.45 57.02 2k06 n PHE 18 Cb 0.00 -0.02 0.22 0.00 -0.94 0.00 0.00 39.48 38.74 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 2.33 1.04 0.18 -1.08 4.81 -1.78 0.40 114.58 120.49 2k06 h GLU 19 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2k06 h GLU 19 Cb 0.73 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2k06 h GLU 19 CO 0.00 0.69 -0.09 0.78 -0.73 0.00 0.00 179.01 179.66 2k06 h GLY 20 N 1.07 -0.25 1.16 1.92 0.00 -1.91 -2.31 103.07 102.75 2k06 h GLY 20 Ca 0.43 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.82 2k06 h GLY 20 CO -0.18 -0.09 0.32 -0.09 0.00 0.00 0.00 176.54 176.50 2k06 h ARG 21 N -0.47 1.07 -1.00 4.80 2.43 -1.74 -2.22 114.38 117.26 2k06 h ARG 21 Ca -0.02 -0.17 0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2k06 h ARG 21 Cb 0.36 -0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.65 2k06 h ARG 21 CO 0.04 0.85 0.64 0.28 -1.51 0.00 0.00 179.97 180.27 2k06 h VAL 22 N 1.06 1.01 -0.59 0.20 2.07 -0.06 -0.32 116.25 119.62 2k06 h VAL 22 Ca 0.25 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2k06 h VAL 22 Cb 0.16 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 2k06 h VAL 22 CO -0.03 0.20 0.14 0.00 0.02 0.00 0.00 177.57 177.90 2k06 h ALA 23 N 1.50 1.13 -0.61 1.67 0.00 -0.83 -2.49 119.26 119.63 2k06 h ALA 23 Ca 0.46 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2k06 h ALA 23 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k06 h ALA 23 CO -0.21 0.59 0.07 1.15 0.00 0.00 0.00 179.25 180.84 2k06 h THR 24 N 0.88 1.26 -0.85 0.00 2.02 -0.90 -2.57 112.91 112.75 2k06 h THR 24 Ca 0.19 -1.03 0.01 0.00 0.77 0.00 0.00 66.41 66.35 2k06 h THR 24 Cb 0.33 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2k06 h THR 24 CO 0.00 0.38 0.56 0.77 0.37 0.00 0.00 175.52 177.60 2k06 h SER 25 N 0.94 0.98 -0.21 4.18 4.64 -0.88 -1.04 113.55 122.15 2k06 h SER 25 Ca 0.19 -0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.51 2k06 h SER 25 Cb 0.45 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2k06 h SER 25 CO 0.02 0.71 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.61 2k06 h LEU 26 N 1.15 -0.09 -0.87 5.97 3.38 -1.18 0.39 115.31 124.06 2k06 h LEU 26 Ca 0.31 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 2k06 h LEU 26 Cb -0.13 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2k06 h LEU 26 CO -0.07 -0.02 -0.05 -0.09 0.09 0.00 0.00 178.44 178.30 2k06 h ARG 27 N 0.06 0.78 -0.32 1.13 2.43 -1.37 0.29 114.38 117.37 2k06 h ARG 27 Ca 0.10 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 2k06 h ARG 27 Cb 0.13 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2k06 h ARG 27 CO -0.17 0.82 -0.00 1.49 -1.51 0.00 0.00 179.97 180.60 2k06 h GLU 28 N 0.72 0.57 0.06 0.20 4.81 -0.34 0.18 114.58 120.78 2k06 h GLU 28 Ca 0.13 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k06 h GLU 28 Cb 0.52 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2k06 h GLU 28 CO 0.03 0.70 -0.03 0.45 -0.73 0.00 0.00 179.01 179.43 2k06 h HIS 29 N 0.37 -0.08 -0.56 0.92 3.86 -0.06 -2.41 115.15 117.20 2k06 h HIS 29 Ca 0.09 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 2k06 h HIS 29 Cb 0.45 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 2k06 h HIS 29 CO 0.04 0.45 0.29 0.82 0.86 0.00 0.00 177.93 180.39 2k06 h ILE 30 N -0.67 0.95 -0.30 2.45 2.04 -0.46 0.23 117.51 121.74 2k06 h ILE 30 Ca -0.01 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.71 2k06 h ILE 30 Cb 0.57 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2k06 h ILE 30 CO 0.01 0.10 0.06 0.50 0.00 0.00 0.00 178.15 178.83 2k06 h LYS 31 N 0.54 0.17 0.10 2.37 3.64 -0.67 1.73 116.57 124.45 2k06 h LYS 31 Ca 0.25 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2k06 h LYS 31 Cb 0.16 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2k06 h LYS 31 CO -0.17 0.11 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.00 2k06 h LEU 32 N 0.18 -0.11 0.00 5.20 3.38 -0.85 -2.20 115.31 120.91 2k06 h LEU 32 Ca 0.14 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k06 h LEU 32 Cb 0.14 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k06 h LEU 32 CO -0.18 0.15 0.00 1.41 0.09 0.00 0.00 178.44 179.91 2k06 n HIS 33 N -5.03 0.00 -3.74 1.13 8.25 0.74 -4.87 115.22 111.70 2k06 n HIS 33 Ca -0.08 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.13 2k06 n HIS 33 Cb 0.17 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.10 -3.10 -1.10 0.41 5.15 0.56 -4.85 115.26 111.23 2k06 n ASN 34 Ca 0.15 -0.75 0.12 0.00 -0.60 0.00 0.00 54.58 53.49 2k06 n ASN 34 Cb 0.12 -4.21 0.24 0.00 -0.53 0.00 0.00 39.78 35.39 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 -4.49 2.43 0.23 1.20 2.81 0.41 -4.26 117.12 115.46 2k06 n MET 35 Ca -0.15 -2.17 0.16 0.00 -1.81 0.00 0.00 57.70 53.74 2k06 n MET 35 Cb 0.61 -1.50 0.83 0.00 -0.71 0.00 0.00 33.22 32.44 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 4.23 0.00 -0.82 0.03 5.08 -1.87 -1.76 114.58 119.46 2k06 h GLU 36 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2k06 h GLU 36 Cb 0.93 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 2k06 h GLU 36 CO 0.00 0.00 0.40 -0.44 -1.00 0.00 0.00 179.01 177.97 2k06 h ASP 37 N 0.00 1.06 0.61 1.42 3.32 -1.95 -2.88 116.42 118.01 2k06 h ASP 37 Ca 0.00 -0.13 -0.27 0.00 0.02 0.00 0.00 57.03 56.65 2k06 h ASP 37 Cb 0.04 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 2k06 h ASP 37 CO 0.00 0.89 -1.49 0.17 -1.72 0.00 0.00 179.24 177.09 2k06 h LEU 38 N 1.16 0.08 -9.52 1.55 -0.00 -1.67 -3.45 115.31 103.45 2k06 h LEU 38 Ca 0.28 -0.13 -0.53 0.00 -0.00 0.00 0.00 57.88 57.50 2k06 h LEU 38 Cb 0.10 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2k06 h LEU 38 CO -0.04 1.11 0.47 -0.36 -0.00 0.00 0.00 178.44 179.63 2k06 s PHE 39 N -2.63 3.57 0.00 0.17 0.08 -1.00 -2.82 117.98 115.35 2k06 s PHE 39 Ca -0.05 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.53 2k06 s PHE 39 Cb 0.08 -3.28 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 2k06 s PHE 39 CO 0.83 -0.66 0.00 0.41 -0.10 0.00 0.00 175.22 175.70 2k06 n GLY 40 N 2.72 -0.14 2.85 4.36 0.00 -0.37 -4.80 105.19 109.81 2k06 n GLY 40 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.19 0.05 -0.01 1.61 2.56 -1.26 -4.98 118.70 116.48 2k06 s GLU 41 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.97 54.94 2k06 s GLU 41 Cb 0.00 -0.14 -0.05 0.00 2.00 0.00 0.00 34.13 35.94 2k06 s GLU 41 CO 0.00 -0.05 0.25 0.54 -0.56 0.00 0.00 175.26 175.45 2k06 s VAL 42 N 0.36 5.32 -0.06 3.70 0.11 -1.26 -2.23 120.40 126.34 2k06 s VAL 42 Ca -0.03 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2k06 s VAL 42 Cb -0.05 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 2k06 s VAL 42 CO -0.01 0.41 -0.03 -0.04 -3.33 0.00 0.00 175.10 172.11 2k06 s MET 43 N -1.62 2.84 -0.42 1.54 -1.94 0.19 -4.99 119.30 114.90 2k06 s MET 43 Ca 0.25 -0.51 0.03 0.00 -1.71 0.00 0.00 55.69 53.75 2k06 s MET 43 Cb -0.13 -2.68 0.16 0.00 2.01 0.00 0.00 34.83 34.18 2k06 s MET 43 CO 0.14 0.67 0.31 0.08 -0.01 0.00 0.00 175.02 176.21 2k06 s VAL 44 N -0.91 0.59 -0.62 -6.03 1.01 -1.26 -3.72 120.40 109.47 2k06 s VAL 44 Ca 0.14 -2.51 -0.05 0.00 0.00 0.00 0.00 61.98 59.57 2k06 s VAL 44 Cb -0.11 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 2k06 s VAL 44 CO 0.04 -1.12 2.05 -0.81 0.00 0.00 0.00 175.10 175.26 2k06 n PRO 45 N 3.18 1.69 -4.25 2.72 -0.04 -1.26 -4.81 135.00 132.22 2k06 n PRO 45 Ca 0.22 -1.15 -0.14 0.00 -0.04 0.00 0.00 63.50 62.39 2k06 n PRO 45 Cb 0.42 -2.24 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.10 0.94 0.02 0.52 -4.23 -1.26 -5.05 115.64 109.68 2k06 s THR 46 Ca 0.36 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.68 2k06 s THR 46 Cb 0.11 -2.01 -0.06 0.00 1.34 0.00 0.00 72.50 71.88 2k06 s THR 46 CO -0.02 -0.60 0.50 -1.61 -0.54 0.00 0.00 174.62 172.35 2k06 s GLU 47 N -3.83 4.11 0.33 3.99 2.02 -1.26 -4.96 118.70 119.10 2k06 s GLU 47 Ca 0.21 0.59 0.05 0.00 0.02 0.00 0.00 54.97 55.84 2k06 s GLU 47 Cb 0.05 -3.26 0.60 0.00 0.10 0.00 0.00 34.13 31.62 2k06 s GLU 47 CO 0.03 0.60 1.84 0.93 0.02 0.00 0.00 175.26 178.67 2k06 h GLU 48 N 4.87 0.42 -4.70 1.61 5.08 -2.00 -3.43 114.58 116.42 2k06 h GLU 48 Ca -0.49 -0.11 -0.32 0.00 -1.00 0.00 0.00 59.36 57.43 2k06 h GLU 48 Cb 1.21 -0.05 -0.23 0.00 0.50 0.00 0.00 28.75 30.18 2k06 h GLU 48 CO 0.64 0.54 -0.75 0.54 -1.00 0.00 0.00 179.01 178.98 2k06 s VAL 49 N -4.75 0.65 0.20 3.13 0.11 -1.26 -5.16 120.40 113.33 2k06 s VAL 49 Ca -0.07 -0.90 0.10 0.00 -2.93 0.00 0.00 61.98 58.18 2k06 s VAL 49 Cb 0.15 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2k06 s VAL 49 CO 0.76 -0.20 -0.20 0.68 -3.33 0.00 0.00 175.10 172.82 2k06 s VAL 50 N -1.01 2.09 -0.16 2.04 -7.23 -1.26 -5.13 120.40 109.73 2k06 s VAL 50 Ca -0.05 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.00 2k06 s VAL 50 Cb -0.08 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 2k06 s VAL 50 CO 0.01 -0.30 0.01 -0.70 -0.31 0.00 0.00 175.10 173.80 2k06 s GLU 51 N -2.97 3.74 0.21 4.82 2.12 -1.26 -4.99 118.70 120.38 2k06 s GLU 51 Ca 0.20 -0.44 -0.05 0.00 0.36 0.00 0.00 54.97 55.05 2k06 s GLU 51 Cb -0.06 -3.03 0.19 0.00 0.26 0.00 0.00 34.13 31.49 2k06 s GLU 51 CO 0.09 0.30 1.65 0.82 -0.54 0.00 0.00 175.26 177.58 2k06 h ILE 52 N 4.95 1.26 -4.14 -3.70 2.04 -2.00 -3.44 117.51 112.48 2k06 h ILE 52 Ca -0.35 -1.24 -0.55 0.00 1.00 0.00 0.00 64.86 63.72 2k06 h ILE 52 Cb 1.18 1.06 0.17 0.00 -0.74 0.00 0.00 36.82 38.49 2k06 h ILE 52 CO 0.65 0.42 0.45 -0.13 0.00 0.00 0.00 178.15 179.55 2k06 s ARG 53 N -4.77 2.21 0.00 2.37 0.52 -1.26 -3.30 118.95 114.72 2k06 s ARG 53 Ca -0.10 1.96 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 2k06 s ARG 53 Cb 0.13 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.79 2k06 s ARG 53 CO 0.84 -1.83 0.00 0.41 0.02 0.00 0.00 175.30 174.74 2k06 n GLY 54 N 0.76 0.32 0.00 -3.53 0.00 -1.26 -5.01 105.19 96.47 2k06 n GLY 54 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.73 -0.44 3.36 -0.02 0.00 -1.21 -4.93 105.19 100.23 2k06 n GLY 55 Ca 0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 1.33 0.50 1.61 -1.52 -1.22 -4.94 119.66 113.43 2k06 s GLN 56 Ca 0.00 -1.38 0.15 0.00 -1.95 0.00 0.00 55.36 52.18 2k06 s GLN 56 Cb 0.00 -1.57 1.20 0.00 -0.22 0.00 0.00 33.01 32.41 2k06 s GLN 56 CO 0.00 0.34 2.11 0.00 -0.25 0.00 0.00 175.29 177.50 2k06 h ARG 57 N 3.50 0.02 -0.68 2.91 3.08 -2.02 -1.59 114.38 119.61 2k06 h ARG 57 Ca -0.45 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 2k06 h ARG 57 Cb 1.20 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2k06 h ARG 57 CO 0.46 0.05 0.28 -0.09 -1.07 0.00 0.00 179.97 179.60 2k06 h ARG 58 N 0.02 1.00 -4.75 0.04 9.65 -2.04 -3.41 114.38 114.89 2k06 h ARG 58 Ca 0.00 -0.16 -0.53 0.00 -1.10 0.00 0.00 59.98 58.20 2k06 h ARG 58 Cb 0.07 -0.17 -0.33 0.00 -1.39 0.00 0.00 29.97 28.15 2k06 h ARG 58 CO 0.00 0.81 -0.82 0.21 2.80 0.00 0.00 179.97 182.97 2k06 s LYS 59 N -5.47 1.75 -0.11 0.20 2.20 -0.60 -5.13 119.74 112.58 2k06 s LYS 59 Ca -0.11 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 55.00 2k06 s LYS 59 Cb 0.16 -1.45 -0.03 0.00 -1.51 0.00 0.00 37.83 35.00 2k06 s LYS 59 CO 0.81 0.09 0.01 0.45 -0.36 0.00 0.00 175.35 176.35 2k06 s SER 60 N 0.48 5.27 -0.39 1.43 0.15 -1.26 -3.39 113.70 115.99 2k06 s SER 60 Ca -0.12 0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.71 2k06 s SER 60 Cb -0.15 -1.61 0.44 0.00 -1.71 0.00 0.00 66.02 63.00 2k06 s SER 60 CO 0.04 0.32 1.12 -0.62 1.20 0.00 0.00 173.24 175.30 2k06 n GLU 61 N 2.51 3.25 -5.08 5.44 1.02 -1.26 -5.03 120.64 121.48 2k06 n GLU 61 Ca -0.18 -4.30 -0.30 0.00 -0.02 0.00 0.00 57.16 52.36 2k06 n GLU 61 Cb 0.53 -2.16 -0.15 0.00 -0.02 0.00 0.00 31.44 29.64 2k06 n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2k06 s ARG 62 N -3.53 1.91 0.00 3.49 0.52 -1.26 -5.01 118.95 115.08 2k06 s ARG 62 Ca 0.46 -1.00 0.20 0.00 -0.52 0.00 0.00 55.73 54.88 2k06 s ARG 62 Cb 0.40 -1.96 0.58 0.00 0.52 0.00 0.00 34.95 34.50 2k06 s ARG 62 CO -0.11 0.52 1.49 1.63 0.02 0.00 0.00 175.30 178.85 2k06 n LYS 63 N 2.13 2.53 -1.51 3.54 5.02 -1.26 -4.96 118.16 123.65 2k06 n LYS 63 Ca -0.16 -2.38 -0.33 0.00 -2.02 0.00 0.00 58.31 53.42 2k06 n LYS 63 Cb 0.52 -1.51 0.08 0.00 -0.02 0.00 0.00 35.03 34.09 2k06 n LYS 63 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2k06 s PHE 64 N -1.12 2.35 -0.73 2.13 0.08 -1.26 -4.90 117.98 114.53 2k06 s PHE 64 Ca 0.44 1.59 0.03 0.00 0.12 0.00 0.00 56.93 59.11 2k06 s PHE 64 Cb 0.23 -3.27 0.18 0.00 -0.57 0.00 0.00 43.02 39.59 2k06 s PHE 64 CO 0.30 -2.09 0.54 -0.59 -0.10 0.00 0.00 175.22 173.28 2k06 s PHE 65 N -2.31 3.61 0.68 0.36 -0.71 -1.26 -5.08 117.98 113.26 2k06 s PHE 65 Ca 0.69 -3.23 -0.14 0.00 -1.04 0.00 0.00 56.93 53.20 2k06 s PHE 65 Cb -0.23 -2.87 0.01 0.00 -1.21 0.00 0.00 43.02 38.72 2k06 s PHE 65 CO 0.46 -0.62 1.11 -1.25 -1.34 0.00 0.00 175.22 173.57 2k06 s PRO 66 N -1.28 2.72 0.00 1.99 0.04 -1.26 -4.04 135.00 133.17 2k06 s PRO 66 Ca 0.24 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2k06 s PRO 66 Cb -0.08 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2k06 s PRO 66 CO -0.14 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.00 2k06 n GLY 67 N -0.65 0.67 3.11 0.56 0.00 -1.26 -4.63 105.19 102.98 2k06 n GLY 67 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.49 0.01 1.61 1.51 -1.26 -0.15 117.35 119.57 2k06 s TYR 68 Ca 0.00 -1.34 0.04 0.00 -1.01 0.00 0.00 57.07 54.76 2k06 s TYR 68 Cb 0.00 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.10 2k06 s TYR 68 CO 0.00 -0.66 -0.13 0.08 -1.11 0.00 0.00 175.55 173.73 2k06 s VAL 69 N 1.11 1.03 -0.19 0.71 1.01 -0.73 -4.82 120.40 118.52 2k06 s VAL 69 Ca -0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 2k06 s VAL 69 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2k06 s VAL 69 CO -0.07 0.15 0.08 -0.76 0.00 0.00 0.00 175.10 174.51 2k06 s LEU 70 N -0.68 3.90 -0.04 3.92 1.02 -1.24 -0.51 118.68 125.05 2k06 s LEU 70 Ca 0.03 0.10 -0.00 0.00 0.02 0.00 0.00 54.13 54.28 2k06 s LEU 70 Cb -0.06 -2.00 0.03 0.00 0.02 0.00 0.00 46.19 44.18 2k06 s LEU 70 CO 0.00 0.16 0.00 -0.69 0.02 0.00 0.00 176.35 175.84 2k06 s VAL 71 N 0.47 0.20 0.14 -1.59 1.01 -0.67 0.57 120.40 120.53 2k06 s VAL 71 Ca 0.04 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.88 2k06 s VAL 71 Cb -0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 35.87 2k06 s VAL 71 CO 0.00 0.17 0.78 -1.58 0.00 0.00 0.00 175.10 174.47 2k06 s GLN 72 N 1.27 4.55 -0.28 2.72 0.74 -0.95 -1.26 119.66 126.46 2k06 s GLN 72 Ca -0.06 1.14 -0.29 0.00 0.05 0.00 0.00 55.36 56.20 2k06 s GLN 72 Cb -0.13 -3.28 0.19 0.00 1.10 0.00 0.00 33.01 30.88 2k06 s GLN 72 CO -0.02 0.51 1.33 1.41 -0.55 0.00 0.00 175.29 177.97 2k06 s MET 73 N -0.89 0.11 -0.10 1.67 1.75 -0.33 -1.23 119.30 120.27 2k06 s MET 73 Ca 0.36 0.03 -0.30 0.00 -1.25 0.00 0.00 55.69 54.54 2k06 s MET 73 Cb -0.23 0.05 -0.03 0.00 2.84 0.00 0.00 34.83 37.47 2k06 s MET 73 CO 0.26 -0.03 1.24 0.54 -0.65 0.00 0.00 175.02 176.38 2k06 s VAL 74 N -0.92 4.23 -0.27 10.11 0.11 -1.13 -4.11 120.40 128.42 2k06 s VAL 74 Ca 0.08 1.53 -0.34 0.00 -2.93 0.00 0.00 61.98 60.31 2k06 s VAL 74 Cb -0.01 -3.99 -0.11 0.00 -1.53 0.00 0.00 36.38 30.74 2k06 s VAL 74 CO -0.08 -0.06 2.09 0.80 -3.33 0.00 0.00 175.10 174.52 2k06 n MET 75 N 5.85 1.43 -3.92 1.54 1.56 -1.26 -4.91 117.12 117.41 2k06 n MET 75 Ca 0.12 0.44 -0.09 0.00 -0.27 0.00 0.00 57.70 57.91 2k06 n MET 75 Cb 0.45 -2.58 -0.08 0.00 2.15 0.00 0.00 33.22 33.17 2k06 n MET 75 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2k06 s ASN 76 N 6.47 0.14 0.34 6.12 4.22 -1.26 -5.03 114.94 125.93 2k06 s ASN 76 Ca 1.04 -0.77 0.16 0.00 -2.14 0.00 0.00 52.86 51.14 2k06 s ASN 76 Cb -0.77 0.35 0.55 0.00 1.28 0.00 0.00 41.25 42.67 2k06 s ASN 76 CO 0.49 -0.77 1.69 0.44 -2.04 0.00 0.00 177.10 176.91 2k06 h ASP 77 N 2.73 0.00 0.63 3.54 3.32 -1.99 -2.79 116.42 121.86 2k06 h ASP 77 Ca -0.33 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 2k06 h ASP 77 Cb 1.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.76 2k06 h ASP 77 CO 0.55 0.46 -0.30 0.00 -1.72 0.00 0.00 179.24 178.23 2k06 h ALA 78 N 1.54 -1.10 -0.21 3.45 0.00 -1.96 -2.01 119.26 118.96 2k06 h ALA 78 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2k06 h ALA 78 Cb 0.97 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2k06 h ALA 78 CO 0.06 -1.04 -0.14 0.66 0.00 0.00 0.00 179.25 178.79 2k06 h SER 79 N -0.93 -0.46 -0.66 0.00 4.64 -1.91 -0.69 113.55 113.53 2k06 h SER 79 Ca -0.09 0.10 0.10 0.00 -0.47 0.00 0.00 61.79 61.43 2k06 h SER 79 Cb 0.65 0.24 -0.12 0.00 -0.31 0.00 0.00 62.40 62.86 2k06 h SER 79 CO 0.14 -0.18 -0.41 -0.25 -0.87 0.00 0.00 176.83 175.26 2k06 h TRP 80 N -0.13 -1.20 -0.93 4.77 7.01 -1.48 0.44 115.95 124.42 2k06 h TRP 80 Ca 0.12 0.09 0.02 0.00 2.11 0.00 0.00 58.89 61.22 2k06 h TRP 80 Cb 0.32 0.62 -0.05 0.00 -2.10 0.00 0.00 29.16 27.95 2k06 h TRP 80 CO -0.30 -0.41 0.61 0.45 -2.79 0.00 0.00 178.44 176.00 2k06 h HIS 81 N -0.17 1.16 -0.64 2.65 3.86 -0.74 -1.57 115.15 119.70 2k06 h HIS 81 Ca 0.21 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2k06 h HIS 81 Cb 0.56 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 2k06 h HIS 81 CO -0.73 0.72 0.41 1.25 0.86 0.00 0.00 177.93 180.43 2k06 h LEU 82 N 1.24 0.75 -0.48 2.43 5.85 0.12 -2.18 115.31 123.04 2k06 h LEU 82 Ca 0.35 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 2k06 h LEU 82 Cb -0.11 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 2k06 h LEU 82 CO -0.08 0.56 0.26 0.58 -0.34 0.00 0.00 178.44 179.42 2k06 h VAL 83 N 0.87 1.17 -0.94 1.05 2.07 0.52 -2.29 116.25 118.70 2k06 h VAL 83 Ca 0.23 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.37 2k06 h VAL 83 Cb -0.07 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 2k06 h VAL 83 CO -0.05 0.18 0.60 -0.09 0.02 0.00 0.00 177.57 178.23 2k06 h ARG 84 N 0.64 1.10 0.00 1.57 9.65 -1.16 0.05 114.38 126.23 2k06 h ARG 84 Ca 0.17 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 2k06 h ARG 84 Cb 0.05 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 2k06 h ARG 84 CO -0.03 0.72 -0.17 0.66 2.80 0.00 0.00 179.97 183.96 2k06 h SER 85 N 1.13 0.00 -2.52 -3.80 4.64 -1.13 -3.42 113.55 108.44 2k06 h SER 85 Ca 0.39 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.18 2k06 h SER 85 Cb 0.09 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2k06 h SER 85 CO -0.15 0.17 1.12 -0.69 -0.87 0.00 0.00 176.83 176.41 2k06 s VAL 86 N -4.40 2.87 0.55 0.95 1.01 0.00 -4.95 120.40 116.43 2k06 s VAL 86 Ca -0.03 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 2k06 s VAL 86 Cb 0.14 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 2k06 s VAL 86 CO 0.65 -0.01 1.12 -2.16 0.00 0.00 0.00 175.10 174.70 2k06 s PRO 87 N 3.35 3.37 -1.06 2.72 0.04 -1.26 -3.82 135.00 138.33 2k06 s PRO 87 Ca 0.81 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 2k06 s PRO 87 Cb -0.43 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 2k06 s PRO 87 CO 0.36 -0.83 0.89 0.54 0.04 0.00 0.00 177.00 178.01 2k06 n ARG 88 N -1.35 -5.52 -3.96 4.56 1.74 -1.26 -4.85 116.66 106.02 2k06 n ARG 88 Ca 0.11 0.77 -0.29 0.00 -0.77 0.00 0.00 57.85 57.66 2k06 n ARG 88 Cb 0.51 -5.51 -0.16 0.00 -1.02 0.00 0.00 32.46 26.28 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 -3.33 1.40 0.10 1.55 1.01 -1.25 -3.96 120.40 115.93 2k06 s VAL 89 Ca 0.05 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 2k06 s VAL 89 Cb -0.01 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.86 2k06 s VAL 89 CO 0.66 0.26 1.56 0.24 0.00 0.00 0.00 175.10 177.81 2k06 h MET 90 N 8.06 0.48 0.00 2.72 2.86 -0.59 -3.48 114.93 124.99 2k06 h MET 90 Ca -0.30 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2k06 h MET 90 Cb 1.12 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2k06 h MET 90 CO 0.46 0.61 0.00 0.41 1.06 0.00 0.00 176.91 179.45 2k06 n GLY 91 N -0.42 -0.16 3.59 8.32 0.00 -1.07 -4.98 105.19 110.47 2k06 n GLY 91 Ca -0.03 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.00 2.48 -0.16 1.61 0.08 -1.26 -2.09 117.98 114.64 2k06 s PHE 92 Ca 0.00 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.61 2k06 s PHE 92 Cb 0.00 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 2k06 s PHE 92 CO 0.00 0.54 -0.18 0.42 -0.10 0.00 0.00 175.22 175.90 2k06 s ILE 93 N -2.55 1.87 -0.22 0.64 -1.09 -1.19 -4.81 121.20 113.85 2k06 s ILE 93 Ca 0.33 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 2k06 s ILE 93 Cb 0.01 -1.70 0.00 0.00 -1.58 0.00 0.00 42.46 39.18 2k06 s ILE 93 CO 0.18 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.01 2k06 n GLY 94 N 4.58 -0.93 0.16 6.18 0.00 -1.26 -4.32 105.19 109.61 2k06 n GLY 94 Ca -0.19 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 0.55 -1.61 -0.02 0.00 -1.88 -3.44 103.07 96.67 2k06 h GLY 95 Ca 0.00 -0.77 -0.51 0.00 0.00 0.00 0.00 47.33 46.05 2k06 h GLY 95 CO 0.00 0.68 -0.56 -0.51 0.00 0.00 0.00 176.54 176.16 2k06 s THR 96 N -3.70 0.83 -0.92 4.70 -4.23 -1.24 -5.02 115.64 106.07 2k06 s THR 96 Ca -0.13 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.46 2k06 s THR 96 Cb 0.05 -2.53 0.39 0.00 1.34 0.00 0.00 72.50 71.75 2k06 s THR 96 CO 0.82 0.00 1.15 -1.20 -0.54 0.00 0.00 174.62 174.85 2k06 n SER 97 N -1.00 3.07 0.00 3.99 7.64 -1.26 -3.82 113.62 122.24 2k06 n SER 97 Ca -0.04 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.47 2k06 n SER 97 Cb 0.66 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2k06 n SER 97 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k06 n ASP 98 N 0.37 3.00 -3.60 6.43 8.00 -1.26 -4.73 116.55 124.75 2k06 n ASP 98 Ca 0.13 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.34 2k06 n ASP 98 Cb 0.64 0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 41.89 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 -1.61 0.87 -0.15 -1.24 0.52 -1.25 -5.03 118.95 111.06 2k06 s ARG 99 Ca 0.00 -1.56 -0.29 0.00 -0.52 0.00 0.00 55.73 53.36 2k06 s ARG 99 Cb 0.00 -1.82 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 2k06 s ARG 99 CO 0.00 -1.15 1.67 -1.25 0.02 0.00 0.00 175.30 174.59 2k06 s PRO 100 N 0.87 3.91 0.55 3.54 0.04 -1.26 -3.70 135.00 138.95 2k06 s PRO 100 Ca 0.16 1.90 -0.21 0.00 0.04 0.00 0.00 61.00 62.89 2k06 s PRO 100 Cb -0.23 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.22 2k06 s PRO 100 CO -0.04 -1.17 1.33 0.00 0.04 0.00 0.00 177.00 177.17 2k06 n ALA 101 N 8.13 1.48 -1.55 8.56 0.00 -1.26 -4.85 120.51 131.02 2k06 n ALA 101 Ca 0.19 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 2k06 n ALA 101 Cb 0.44 -2.34 0.04 0.00 0.00 0.00 0.00 19.45 17.59 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 -2.88 2.89 0.25 0.00 0.04 -1.26 -4.79 135.00 129.25 2k06 s PRO 102 Ca 0.72 1.39 0.11 0.00 0.04 0.00 0.00 61.00 63.26 2k06 s PRO 102 Cb -0.42 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2k06 s PRO 102 CO 0.49 -1.18 -0.16 0.96 0.04 0.00 0.00 177.00 177.15 2k06 s ILE 103 N -2.30 2.72 0.58 0.56 -4.36 -1.19 -5.04 121.20 112.18 2k06 s ILE 103 Ca 0.67 -2.16 -0.18 0.00 -0.26 0.00 0.00 60.65 58.72 2k06 s ILE 103 Cb -0.20 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 2k06 s ILE 103 CO 0.40 -0.31 1.11 -0.44 0.24 0.00 0.00 174.94 175.93 2k06 s SER 104 N -3.32 5.56 0.30 4.36 0.01 -1.26 -4.45 113.70 114.90 2k06 s SER 104 Ca 0.28 2.06 0.01 0.00 1.31 0.00 0.00 55.95 59.60 2k06 s SER 104 Cb -0.06 -2.56 0.53 0.00 0.21 0.00 0.00 66.02 64.14 2k06 s SER 104 CO 0.15 -1.32 1.91 0.44 0.41 0.00 0.00 173.24 174.83 2k06 h ASP 105 N 0.74 0.90 -0.84 2.44 3.32 -1.98 -0.64 116.42 120.35 2k06 h ASP 105 Ca -0.48 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.59 2k06 h ASP 105 Cb 1.25 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 2k06 h ASP 105 CO 0.56 0.57 0.56 0.50 -1.72 0.00 0.00 179.24 179.71 2k06 h LYS 106 N 1.02 1.08 -0.52 3.56 3.64 -2.00 -2.03 116.57 121.33 2k06 h LYS 106 Ca 0.40 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.76 2k06 h LYS 106 Cb 0.22 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 2k06 h LYS 106 CO -0.15 0.72 0.25 0.93 -2.27 0.00 0.00 179.45 178.93 2k06 h GLU 107 N 1.11 0.48 -0.92 1.90 4.39 -1.47 0.27 114.58 120.34 2k06 h GLU 107 Ca 0.32 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.00 2k06 h GLU 107 Cb -0.08 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.41 2k06 h GLU 107 CO -0.08 0.31 0.61 0.28 -1.16 0.00 0.00 179.01 178.98 2k06 h VAL 108 N 0.49 1.24 -0.43 3.13 2.07 -1.27 -1.76 116.25 119.71 2k06 h VAL 108 Ca 0.23 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 2k06 h VAL 108 Cb 0.15 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 2k06 h VAL 108 CO -0.17 0.23 -0.07 0.44 0.02 0.00 0.00 177.57 178.03 2k06 h ASP 109 N 1.25 0.73 0.28 0.57 3.32 -0.89 -3.01 116.42 118.66 2k06 h ASP 109 Ca 0.34 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2k06 h ASP 109 Cb -0.14 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 2k06 h ASP 109 CO -0.07 0.83 -0.18 0.00 -1.72 0.00 0.00 179.24 178.10 2k06 h ALA 110 N 1.24 -0.44 -0.43 3.45 0.00 -0.11 0.17 119.26 123.14 2k06 h ALA 110 Ca 0.13 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2k06 h ALA 110 Cb 0.52 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 2k06 h ALA 110 CO 0.03 -0.76 -0.31 0.82 0.00 0.00 0.00 179.25 179.03 2k06 h ILE 111 N -0.45 0.24 -0.73 0.00 2.04 -1.34 0.26 117.51 117.52 2k06 h ILE 111 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2k06 h ILE 111 Cb 0.38 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2k06 h ILE 111 CO 0.02 0.00 0.44 0.24 0.00 0.00 0.00 178.15 178.85 2k06 h MET 112 N -0.22 0.99 -0.84 2.37 2.86 -1.37 -1.95 114.93 116.76 2k06 h MET 112 Ca 0.19 -0.08 0.07 0.00 -2.06 0.00 0.00 59.70 57.81 2k06 h MET 112 Cb 0.53 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 2k06 h MET 112 CO -0.56 0.69 0.52 -0.91 1.06 0.00 0.00 176.91 177.71 2k06 h ASN 113 N 1.01 0.80 -0.13 1.22 -0.26 0.25 -2.23 115.58 116.23 2k06 h ASN 113 Ca 0.26 0.02 0.05 0.00 -0.56 0.00 0.00 56.30 56.07 2k06 h ASN 113 Cb -0.04 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 37.02 2k06 h ASN 113 CO -0.05 0.50 -0.21 0.03 -1.06 0.00 0.00 177.43 176.64 2k06 h ARG 114 N 0.93 -0.26 -0.86 0.81 3.08 -0.32 -0.82 114.38 116.94 2k06 h ARG 114 Ca 0.37 0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.67 2k06 h ARG 114 Cb 0.20 0.06 -0.14 0.00 0.08 0.00 0.00 29.97 30.17 2k06 h ARG 114 CO -0.18 -0.17 0.18 1.25 -1.07 0.00 0.00 179.97 179.97 2k06 h LEU 115 N -0.27 -0.10 -1.34 3.04 5.85 -1.38 0.94 115.31 122.05 2k06 h LEU 115 Ca 0.10 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2k06 h LEU 115 Cb 0.42 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 2k06 h LEU 115 CO -0.29 -0.17 0.33 -0.61 -0.34 0.00 0.00 178.44 177.36 2k06 h GLN 116 N 0.18 0.78 -0.45 1.25 4.15 -1.07 -1.43 115.11 118.52 2k06 h GLN 116 Ca 0.52 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.87 2k06 h GLN 116 Cb 1.04 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 2k06 h GLN 116 CO -0.67 0.56 0.27 0.37 -1.93 0.00 0.00 178.83 177.43 2k06 h GLN 117 N 0.79 0.60 -0.75 1.69 4.15 0.15 -3.45 115.11 118.29 2k06 h GLN 117 Ca 0.21 -0.05 -0.27 0.00 0.77 0.00 0.00 58.65 59.31 2k06 h GLN 117 Cb -0.01 -0.13 -0.11 0.00 0.21 0.00 0.00 27.48 27.44 2k06 h GLN 117 CO -0.04 0.42 -0.25 0.28 -1.93 0.00 0.00 178.83 177.32 2k06 n VAL 118 N -4.44 0.00 0.00 2.39 0.31 -0.54 -4.52 118.33 111.52 2k06 n VAL 118 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2k06 n VAL 118 Cb 0.08 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 2k06 n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k06 n GLY 119 N 0.03 0.96 3.11 2.92 0.00 -1.26 -4.57 105.19 106.38 2k06 n GLY 119 Ca -0.13 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 2k06 n GLY 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k06 s ASP 120 N -4.00 0.11 -0.61 1.61 2.15 -1.26 -5.09 116.67 109.58 2k06 s ASP 120 Ca 0.00 -0.39 0.06 0.00 0.43 0.00 0.00 52.55 52.65 2k06 s ASP 120 Cb 0.00 0.22 0.26 0.00 -0.30 0.00 0.00 42.92 43.10 2k06 s ASP 120 CO 0.00 -0.45 0.76 1.17 -0.17 0.00 0.00 175.17 176.48 2k06 n LYS 121 N 1.06 2.52 -2.26 4.34 4.81 -1.26 -4.90 118.16 122.46 2k06 n LYS 121 Ca -0.21 -4.61 -0.37 0.00 -0.87 0.00 0.00 58.31 52.25 2k06 n LYS 121 Cb 0.57 -2.19 -0.01 0.00 0.02 0.00 0.00 35.03 33.42 2k06 n LYS 121 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2k06 s PRO 122 N -2.55 3.79 0.00 1.64 0.04 -1.26 -5.30 135.00 131.37 2k06 s PRO 122 Ca 0.41 1.79 0.28 0.00 0.04 0.00 0.00 61.00 63.52 2k06 s PRO 122 Cb 0.17 -2.44 1.15 0.00 0.04 0.00 0.00 34.50 33.42 2k06 s PRO 122 CO -0.04 -0.52 1.80 -2.13 0.04 0.00 0.00 177.00 176.15