#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 3.54 -0.07 7.83 0.01 -1.26 -5.13 113.70 118.62 2k06 s SER 2 Ca 0.00 -0.58 -0.00 0.00 1.31 0.00 0.00 55.95 56.68 2k06 s SER 2 Cb 0.00 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 2k06 s SER 2 CO 0.00 0.22 -0.03 -0.70 0.41 0.00 0.00 173.24 173.14 2k06 s GLU 3 N -1.68 2.86 0.40 12.44 2.12 -1.26 -5.12 118.70 128.46 2k06 s GLU 3 Ca 0.14 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 55.02 2k06 s GLU 3 Cb -0.10 -2.70 -0.00 0.00 0.26 0.00 0.00 34.13 31.59 2k06 s GLU 3 CO 0.06 0.68 0.58 0.00 -0.54 0.00 0.00 175.26 176.03 2k06 s ALA 4 N -0.87 4.02 0.42 6.30 0.00 -1.26 -5.07 121.76 125.29 2k06 s ALA 4 Ca 0.13 -1.29 -0.25 0.00 0.00 0.00 0.00 51.96 50.56 2k06 s ALA 4 Cb -0.11 -1.90 -0.08 0.00 0.00 0.00 0.00 23.12 21.03 2k06 s ALA 4 CO 0.03 -0.23 1.18 -1.25 0.00 0.00 0.00 175.76 175.48 2k06 s PRO 5 N -4.38 3.96 0.15 0.00 0.04 -1.26 -5.05 135.00 128.45 2k06 s PRO 5 Ca 0.47 1.85 0.11 0.00 0.04 0.00 0.00 61.00 63.47 2k06 s PRO 5 Cb -0.10 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2k06 s PRO 5 CO 0.34 -0.40 -0.25 0.15 0.04 0.00 0.00 177.00 176.89 2k06 s LYS 6 N -2.41 1.38 0.16 4.56 1.02 -1.26 -5.11 119.74 118.08 2k06 s LYS 6 Ca 0.59 -1.38 -0.30 0.00 0.02 0.00 0.00 55.97 54.90 2k06 s LYS 6 Cb -0.31 -1.76 -0.07 0.00 -0.52 0.00 0.00 37.83 35.17 2k06 s LYS 6 CO 0.38 0.40 0.94 0.15 -0.92 0.00 0.00 175.35 176.31 2k06 s LYS 7 N -2.27 4.75 0.23 1.68 1.02 -1.26 -4.86 119.74 119.03 2k06 s LYS 7 Ca 0.15 1.45 0.11 0.00 0.02 0.00 0.00 55.97 57.69 2k06 s LYS 7 Cb -0.09 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 2k06 s LYS 7 CO 0.07 0.35 -0.20 1.03 -0.92 0.00 0.00 175.35 175.68 2k06 s ARG 8 N -0.50 1.52 -0.01 1.68 0.52 -1.15 -4.91 118.95 116.10 2k06 s ARG 8 Ca 0.44 -1.63 -0.22 0.00 -0.52 0.00 0.00 55.73 53.81 2k06 s ARG 8 Cb -0.24 -1.61 -0.05 0.00 0.52 0.00 0.00 34.95 33.57 2k06 s ARG 8 CO 0.30 0.31 0.63 -1.58 0.02 0.00 0.00 175.30 174.99 2k06 s TRP 9 N -2.32 3.67 0.22 -0.53 0.52 -1.26 -1.22 118.94 118.02 2k06 s TRP 9 Ca 0.24 1.23 0.11 0.00 0.02 0.00 0.00 56.10 57.71 2k06 s TRP 9 Cb -0.05 -2.67 -0.05 0.00 -1.15 0.00 0.00 33.47 29.56 2k06 s TRP 9 CO 0.11 0.29 -0.20 0.71 0.02 0.00 0.00 176.95 177.88 2k06 s TYR 10 N 0.02 2.35 -0.04 -1.98 2.02 -0.62 -3.52 117.35 115.59 2k06 s TYR 10 Ca 0.33 -0.33 -0.05 0.00 -0.37 0.00 0.00 57.07 56.65 2k06 s TYR 10 Cb -0.18 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 2k06 s TYR 10 CO 0.18 0.58 0.20 0.08 -1.57 0.00 0.00 175.55 175.02 2k06 s VAL 11 N -1.99 5.41 -0.12 0.71 1.01 -1.26 -2.05 120.40 122.10 2k06 s VAL 11 Ca 0.25 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.32 2k06 s VAL 11 Cb -0.07 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2k06 s VAL 11 CO 0.13 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.83 2k06 s VAL 12 N -1.22 1.50 -0.08 2.92 1.01 -0.20 -3.40 120.40 120.93 2k06 s VAL 12 Ca 0.23 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 2k06 s VAL 12 Cb -0.13 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2k06 s VAL 12 CO 0.13 0.44 0.36 -1.58 0.00 0.00 0.00 175.10 174.45 2k06 s GLN 13 N 1.20 4.05 0.06 2.72 0.74 -0.06 -1.93 119.66 126.45 2k06 s GLN 13 Ca -0.02 0.27 -0.17 0.00 0.05 0.00 0.00 55.36 55.49 2k06 s GLN 13 Cb -0.14 -3.32 0.03 0.00 1.10 0.00 0.00 33.01 30.68 2k06 s GLN 13 CO -0.05 0.47 0.40 0.00 -0.55 0.00 0.00 175.29 175.55 2k06 s ALA 14 N -0.29 -0.95 0.37 1.58 0.00 -1.19 0.51 121.76 121.77 2k06 s ALA 14 Ca 0.21 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 2k06 s ALA 14 Cb -0.15 0.41 -0.11 0.00 0.00 0.00 0.00 23.12 23.27 2k06 s ALA 14 CO 0.09 -0.49 1.30 1.19 0.00 0.00 0.00 175.76 177.85 2k06 n PHE 15 N 0.37 2.31 -1.82 0.00 3.72 -1.25 -4.02 117.46 116.76 2k06 n PHE 15 Ca -0.18 0.53 -0.35 0.00 -0.05 0.00 0.00 57.45 57.40 2k06 n PHE 15 Cb 0.61 -2.42 0.05 0.00 -0.94 0.00 0.00 39.48 36.78 2k06 n PHE 15 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2k06 s SER 16 N -0.35 4.93 0.00 4.37 1.04 -1.26 -2.32 113.70 120.11 2k06 s SER 16 Ca 0.57 2.31 0.00 0.00 0.48 0.00 0.00 55.95 59.30 2k06 s SER 16 Cb -0.54 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 62.99 2k06 s SER 16 CO 0.61 -1.76 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2k06 n GLY 17 N 0.29 2.64 0.07 7.32 0.00 -1.26 -4.62 105.19 109.64 2k06 n GLY 17 Ca 0.13 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 0.05 -0.17 1.61 3.72 -1.09 -4.70 117.46 116.87 2k06 n PHE 18 Ca 0.00 -0.44 -0.03 0.00 -0.05 0.00 0.00 57.45 56.93 2k06 n PHE 18 Cb 0.00 -0.04 0.07 0.00 -0.94 0.00 0.00 39.48 38.57 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 0.24 0.39 -0.87 -1.08 4.11 -1.72 -0.61 114.58 115.05 2k06 h GLU 19 Ca 0.00 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.42 2k06 h GLU 19 Cb 0.47 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2k06 h GLU 19 CO 0.00 0.26 0.58 0.78 0.07 0.00 0.00 179.01 180.69 2k06 h GLY 20 N 0.40 1.22 0.56 1.06 0.00 -1.90 -2.35 103.07 102.06 2k06 h GLY 20 Ca 0.25 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.17 2k06 h GLY 20 CO -0.24 0.45 -0.01 -0.09 0.00 0.00 0.00 176.54 176.65 2k06 h ARG 21 N 1.18 0.07 -1.01 4.80 2.43 -1.44 -0.59 114.38 119.81 2k06 h ARG 21 Ca 0.32 -0.00 0.27 0.00 -0.81 0.00 0.00 59.98 59.76 2k06 h ARG 21 Cb -0.13 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.27 2k06 h ARG 21 CO -0.07 0.04 0.60 0.28 -1.51 0.00 0.00 179.97 179.31 2k06 h VAL 22 N 0.07 0.45 -0.44 0.20 2.07 -0.96 0.44 116.25 118.08 2k06 h VAL 22 Ca 0.13 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2k06 h VAL 22 Cb 0.17 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 2k06 h VAL 22 CO -0.23 0.09 0.18 0.00 0.02 0.00 0.00 177.57 177.63 2k06 h ALA 23 N 1.76 0.57 0.10 1.67 0.00 -1.09 0.27 119.26 122.54 2k06 h ALA 23 Ca 0.67 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 2k06 h ALA 23 Cb 1.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k06 h ALA 23 CO -0.51 0.17 -0.05 1.15 0.00 0.00 0.00 179.25 180.02 2k06 h THR 24 N 0.57 1.07 -0.63 0.00 2.02 0.06 -2.67 112.91 113.33 2k06 h THR 24 Ca 0.15 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.70 2k06 h THR 24 Cb 0.18 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2k06 h THR 24 CO -0.01 0.16 0.41 0.77 0.37 0.00 0.00 175.52 177.22 2k06 h SER 25 N -0.43 0.69 0.09 4.18 4.64 -0.72 -2.55 113.55 119.45 2k06 h SER 25 Ca -0.01 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 2k06 h SER 25 Cb 0.36 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 2k06 h SER 25 CO 0.02 0.50 -0.19 0.25 -0.87 0.00 0.00 176.83 176.54 2k06 h LEU 26 N 0.82 -0.52 -0.82 5.97 5.85 -0.25 -2.16 115.31 124.19 2k06 h LEU 26 Ca 0.24 0.06 0.17 0.00 0.84 0.00 0.00 57.88 59.19 2k06 h LEU 26 Cb -0.04 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.03 2k06 h LEU 26 CO -0.06 -0.26 -0.19 -0.09 -0.34 0.00 0.00 178.44 177.50 2k06 h ARG 27 N -0.35 0.00 -0.62 1.25 2.43 -1.12 0.61 114.38 116.58 2k06 h ARG 27 Ca 0.03 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 2k06 h ARG 27 Cb 0.38 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 2k06 h ARG 27 CO -0.11 0.00 0.25 0.93 -1.51 0.00 0.00 179.97 179.53 2k06 h GLU 28 N 0.00 0.43 -0.40 0.20 5.08 -1.39 0.12 114.58 118.62 2k06 h GLU 28 Ca 0.40 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 2k06 h GLU 28 Cb 0.62 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2k06 h GLU 28 CO -0.84 0.28 0.19 0.45 -1.00 0.00 0.00 179.01 178.10 2k06 h HIS 29 N 0.44 0.54 0.39 4.33 3.86 0.49 0.31 115.15 125.51 2k06 h HIS 29 Ca 0.31 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.50 2k06 h HIS 29 Cb 0.37 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2k06 h HIS 29 CO -0.16 0.41 -0.19 0.82 0.86 0.00 0.00 177.93 179.68 2k06 h ILE 30 N 0.56 0.62 -0.43 2.45 1.08 0.86 0.84 117.51 123.49 2k06 h ILE 30 Ca 0.14 -0.28 -0.10 0.00 -0.39 0.00 0.00 64.86 64.23 2k06 h ILE 30 Cb 0.06 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 2k06 h ILE 30 CO -0.02 0.05 -0.15 0.11 -0.69 0.00 0.00 178.15 177.46 2k06 h LYS 31 N -0.68 0.80 0.53 2.37 1.57 -1.07 2.08 116.57 122.18 2k06 h LYS 31 Ca -0.05 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 2k06 h LYS 31 Cb 0.49 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.74 2k06 h LYS 31 CO 0.09 0.90 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.55 2k06 h LEU 32 N 0.72 -0.60 -0.92 2.94 3.38 -0.25 -2.69 115.31 117.89 2k06 h LEU 32 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k06 h LEU 32 Cb 0.65 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2k06 h LEU 32 CO 0.05 -0.41 0.00 1.41 0.09 0.00 0.00 178.44 179.58 2k06 n HIS 33 N -5.38 0.00 -3.43 1.13 8.25 0.28 -4.93 115.22 111.14 2k06 n HIS 33 Ca -0.12 -0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.16 2k06 n HIS 33 Cb 0.30 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.50 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 0.12 -2.26 -1.45 0.41 3.02 0.65 -4.89 115.26 110.86 2k06 n ASN 34 Ca 0.19 -0.61 0.09 0.00 -0.03 0.00 0.00 54.58 54.23 2k06 n ASN 34 Cb 0.34 -5.08 0.33 0.00 -0.61 0.00 0.00 39.78 34.76 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 -4.15 3.51 -0.28 3.52 2.81 0.19 -4.50 117.12 118.23 2k06 n MET 35 Ca -0.27 -2.80 0.16 0.00 -1.81 0.00 0.00 57.70 52.98 2k06 n MET 35 Cb 0.66 -1.80 0.43 0.00 -0.71 0.00 0.00 33.22 31.80 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 3.84 0.55 -0.88 0.03 5.08 -1.87 0.18 114.58 121.50 2k06 h GLU 36 Ca 0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k06 h GLU 36 Cb 1.34 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2k06 h GLU 36 CO 0.18 0.36 0.53 -0.44 -1.00 0.00 0.00 179.01 178.65 2k06 h ASP 37 N 0.56 1.06 -0.03 1.42 3.32 -1.95 -2.91 116.42 117.89 2k06 h ASP 37 Ca 0.50 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 2k06 h ASP 37 Cb 1.03 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 2k06 h ASP 37 CO -0.24 0.82 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.98 2k06 h LEU 38 N 1.21 0.09 -9.73 1.55 3.38 -1.04 -3.43 115.31 107.35 2k06 h LEU 38 Ca 0.32 -0.52 -0.51 0.00 0.09 0.00 0.00 57.88 57.26 2k06 h LEU 38 Cb -0.05 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.68 2k06 h LEU 38 CO -0.06 0.60 0.46 -0.36 0.09 0.00 0.00 178.44 179.16 2k06 s PHE 39 N -4.12 3.65 0.01 1.13 0.40 -0.46 -1.42 117.98 117.15 2k06 s PHE 39 Ca -0.16 1.69 -0.00 0.00 -0.60 0.00 0.00 56.93 57.86 2k06 s PHE 39 Cb 0.02 -3.23 -0.00 0.00 0.51 0.00 0.00 43.02 40.32 2k06 s PHE 39 CO 0.70 -0.42 -0.01 0.41 0.70 0.00 0.00 175.22 176.60 2k06 n GLY 40 N 1.63 -0.02 3.24 4.36 0.00 0.10 -4.78 105.19 109.72 2k06 n GLY 40 Ca 0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.16 1.03 0.05 1.61 2.12 -1.23 -4.98 118.70 116.14 2k06 s GLU 41 Ca -0.01 -1.29 0.08 0.00 0.36 0.00 0.00 54.97 54.11 2k06 s GLU 41 Cb 0.00 -0.83 -0.03 0.00 0.26 0.00 0.00 34.13 33.53 2k06 s GLU 41 CO 0.01 0.15 -0.22 0.08 -0.54 0.00 0.00 175.26 174.74 2k06 s VAL 42 N -2.42 1.77 0.11 3.70 1.01 -1.26 -0.41 120.40 122.90 2k06 s VAL 42 Ca 0.11 -1.28 0.09 0.00 0.00 0.00 0.00 61.98 60.89 2k06 s VAL 42 Cb -0.03 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2k06 s VAL 42 CO 0.03 0.21 -0.21 -0.04 0.00 0.00 0.00 175.10 175.08 2k06 s MET 43 N -1.28 1.17 -0.04 2.72 1.00 0.23 -4.97 119.30 118.13 2k06 s MET 43 Ca 0.08 -1.21 -0.02 0.00 0.00 0.00 0.00 55.69 54.55 2k06 s MET 43 Cb -0.09 -1.45 0.03 0.00 0.00 0.00 0.00 34.83 33.32 2k06 s MET 43 CO 0.02 0.33 0.09 0.08 0.00 0.00 0.00 175.02 175.55 2k06 s VAL 44 N -1.23 -0.04 -1.96 -6.03 1.01 -1.26 -3.49 120.40 107.39 2k06 s VAL 44 Ca 0.08 0.16 0.14 0.00 0.00 0.00 0.00 61.98 62.36 2k06 s VAL 44 Cb -0.10 -0.16 0.39 0.00 0.00 0.00 0.00 36.38 36.51 2k06 s VAL 44 CO 0.05 0.06 1.26 -0.81 0.00 0.00 0.00 175.10 175.66 2k06 n PRO 45 N 3.97 0.42 -4.43 2.72 -0.04 -1.26 -4.71 135.00 131.66 2k06 n PRO 45 Ca -0.24 0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.00 2k06 n PRO 45 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2k06 n PRO 45 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k06 s THR 46 N -2.04 2.27 0.16 0.52 -4.23 -1.26 -5.04 115.64 106.02 2k06 s THR 46 Ca 0.20 -2.30 0.07 0.00 -1.18 0.00 0.00 61.69 58.49 2k06 s THR 46 Cb 0.10 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 2k06 s THR 46 CO 0.16 -0.41 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.20 2k06 s GLU 47 N -3.42 2.33 -0.12 3.99 2.02 -1.26 -5.12 118.70 117.13 2k06 s GLU 47 Ca 0.27 -1.11 -0.05 0.00 0.02 0.00 0.00 54.97 54.10 2k06 s GLU 47 Cb -0.04 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 2k06 s GLU 47 CO 0.12 0.46 0.07 -2.00 0.02 0.00 0.00 175.26 173.93 2k06 s GLU 48 N -2.81 3.37 -0.07 1.61 2.12 -1.26 -5.10 118.70 116.56 2k06 s GLU 48 Ca 0.26 -0.29 0.05 0.00 0.36 0.00 0.00 54.97 55.35 2k06 s GLU 48 Cb -0.10 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 2k06 s GLU 48 CO 0.18 0.64 -0.22 0.08 -0.54 0.00 0.00 175.26 175.40 2k06 s VAL 49 N -0.66 2.34 0.23 3.70 1.01 -1.26 -5.01 120.40 120.74 2k06 s VAL 49 Ca 0.12 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 2k06 s VAL 49 Cb -0.12 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.40 2k06 s VAL 49 CO 0.02 0.57 1.63 -0.37 0.00 0.00 0.00 175.10 176.95 2k06 h VAL 50 N 5.05 1.28 -3.60 2.92 -1.51 -2.01 -3.42 116.25 114.97 2k06 h VAL 50 Ca -0.32 -1.40 -0.67 0.00 -1.23 0.00 0.00 66.70 63.07 2k06 h VAL 50 Cb 1.18 1.35 -0.21 0.00 -2.13 0.00 0.00 31.29 31.48 2k06 h VAL 50 CO 0.49 0.46 -0.71 -0.70 -1.23 0.00 0.00 177.57 175.87 2k06 s GLU 51 N -4.47 2.98 0.18 5.19 2.12 -1.26 -5.01 118.70 118.44 2k06 s GLU 51 Ca -0.08 -0.58 -0.13 0.00 0.36 0.00 0.00 54.97 54.54 2k06 s GLU 51 Cb 0.13 -2.63 0.12 0.00 0.26 0.00 0.00 34.13 32.01 2k06 s GLU 51 CO 0.83 0.52 1.82 0.82 -0.54 0.00 0.00 175.26 178.71 2k06 h ILE 52 N 4.59 1.07 -0.59 -3.70 2.04 -2.02 -1.50 117.51 117.40 2k06 h ILE 52 Ca -0.42 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2k06 h ILE 52 Cb 1.18 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2k06 h ILE 52 CO 0.55 0.13 0.37 0.03 0.00 0.00 0.00 178.15 179.22 2k06 h ARG 53 N 0.69 0.78 0.00 2.37 3.08 -1.94 -3.43 114.38 115.93 2k06 h ARG 53 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2k06 h ARG 53 Cb 0.01 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2k06 h ARG 53 CO -0.10 0.53 0.00 0.41 -1.07 0.00 0.00 179.97 179.74 2k06 n GLY 54 N -1.41 -1.74 0.07 0.04 0.00 -0.57 -3.69 105.19 97.90 2k06 n GLY 54 Ca 0.06 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.84 3.57 -0.02 0.00 -1.26 -4.79 105.19 101.85 2k06 n GLY 55 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.97 2.06 0.40 1.61 -0.21 -1.24 -5.01 119.66 115.30 2k06 s GLN 56 Ca 0.19 -1.30 0.07 0.00 0.02 0.00 0.00 55.36 54.34 2k06 s GLN 56 Cb 0.09 -2.14 0.81 0.00 1.00 0.00 0.00 33.01 32.77 2k06 s GLN 56 CO 0.15 0.42 2.01 0.00 -2.12 0.00 0.00 175.29 175.75 2k06 h ARG 57 N 2.80 0.48 -6.23 2.91 3.08 -1.87 -3.43 114.38 112.13 2k06 h ARG 57 Ca -0.46 -0.05 -0.58 0.00 0.07 0.00 0.00 59.98 58.96 2k06 h ARG 57 Cb 1.21 -0.10 -0.22 0.00 0.08 0.00 0.00 29.97 30.94 2k06 h ARG 57 CO 0.55 0.39 -0.83 1.03 -1.07 0.00 0.00 179.97 180.03 2k06 s ARG 58 N -5.29 1.19 0.11 0.04 0.52 -1.26 -4.99 118.95 109.28 2k06 s ARG 58 Ca -0.08 -1.15 -0.27 0.00 -0.52 0.00 0.00 55.73 53.71 2k06 s ARG 58 Cb 0.17 -1.46 -0.06 0.00 0.52 0.00 0.00 34.95 34.11 2k06 s ARG 58 CO 0.74 0.35 0.86 0.21 0.02 0.00 0.00 175.30 177.47 2k06 s LYS 59 N -1.81 4.62 0.16 3.54 2.20 -1.26 -4.94 119.74 122.25 2k06 s LYS 59 Ca 0.07 1.27 0.09 0.00 -0.36 0.00 0.00 55.97 57.04 2k06 s LYS 59 Cb -0.10 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2k06 s LYS 59 CO 0.04 0.34 -0.13 -1.54 -0.36 0.00 0.00 175.35 173.70 2k06 s SER 60 N -0.36 4.08 0.17 1.43 1.04 -1.26 -5.13 113.70 113.66 2k06 s SER 60 Ca 0.41 -0.60 0.07 0.00 0.48 0.00 0.00 55.95 56.32 2k06 s SER 60 Cb -0.23 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.22 2k06 s SER 60 CO 0.27 0.13 0.00 -1.61 0.98 0.00 0.00 173.24 173.01 2k06 s GLU 61 N -2.62 2.43 0.05 4.02 2.02 -1.26 -5.13 118.70 118.21 2k06 s GLU 61 Ca 0.23 -1.09 0.06 0.00 0.02 0.00 0.00 54.97 54.19 2k06 s GLU 61 Cb -0.09 -2.38 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 2k06 s GLU 61 CO 0.13 0.46 -0.16 1.03 0.02 0.00 0.00 175.26 176.74 2k06 s ARG 62 N -2.92 1.03 -0.15 1.61 0.52 -1.26 -5.02 118.95 112.75 2k06 s ARG 62 Ca 0.27 -0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 54.49 2k06 s ARG 62 Cb -0.09 -1.09 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 2k06 s ARG 62 CO 0.19 0.27 0.25 0.15 0.02 0.00 0.00 175.30 176.17 2k06 s LYS 63 N -1.32 4.13 0.03 3.54 1.02 -1.26 -5.07 119.74 120.81 2k06 s LYS 63 Ca 0.03 0.02 -0.21 0.00 0.02 0.00 0.00 55.97 55.83 2k06 s LYS 63 Cb -0.09 -3.39 0.05 0.00 -0.52 0.00 0.00 37.83 33.88 2k06 s LYS 63 CO 0.02 0.34 0.48 -0.59 -0.92 0.00 0.00 175.35 174.68 2k06 s PHE 64 N 0.18 -0.37 -0.43 3.18 -0.71 -1.26 -4.80 117.98 113.77 2k06 s PHE 64 Ca 0.15 0.44 -0.30 0.00 -1.04 0.00 0.00 56.93 56.18 2k06 s PHE 64 Cb -0.13 0.28 -0.10 0.00 -1.21 0.00 0.00 43.02 41.87 2k06 s PHE 64 CO 0.03 -0.59 2.32 1.97 -1.34 0.00 0.00 175.22 177.61 2k06 n PHE 65 N 0.59 1.53 -3.37 3.49 -1.74 -1.26 -4.92 117.46 111.78 2k06 n PHE 65 Ca -0.19 0.14 -0.30 0.00 -0.56 0.00 0.00 57.45 56.54 2k06 n PHE 65 Cb 0.59 -2.60 -0.04 0.00 1.52 0.00 0.00 39.48 38.95 2k06 n PHE 65 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2k06 s PRO 66 N 7.17 3.71 0.00 3.97 0.04 -1.26 -4.31 135.00 144.32 2k06 s PRO 66 Ca 1.07 0.14 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2k06 s PRO 66 Cb -0.57 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2k06 s PRO 66 CO 0.39 0.26 0.00 0.41 0.04 0.00 0.00 177.00 178.10 2k06 n GLY 67 N -0.54 0.80 2.84 0.56 0.00 -1.26 -4.81 105.19 102.79 2k06 n GLY 67 Ca -0.01 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 0.97 0.05 1.61 1.51 -1.26 -3.19 117.35 115.03 2k06 s TYR 68 Ca 0.00 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 2k06 s TYR 68 Cb 0.00 -0.93 -0.02 0.00 -0.11 0.00 0.00 41.96 40.90 2k06 s TYR 68 CO 0.00 -0.36 -0.13 0.08 -1.11 0.00 0.00 175.55 174.03 2k06 s VAL 69 N 1.67 1.03 -0.16 0.71 1.01 -0.81 -4.60 120.40 119.25 2k06 s VAL 69 Ca 0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 2k06 s VAL 69 Cb -0.13 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2k06 s VAL 69 CO -0.05 -0.09 -0.08 -0.76 0.00 0.00 0.00 175.10 174.12 2k06 s LEU 70 N -1.30 2.95 -0.03 3.92 1.02 -1.23 -1.03 118.68 122.98 2k06 s LEU 70 Ca -0.00 -0.27 -0.01 0.00 0.02 0.00 0.00 54.13 53.87 2k06 s LEU 70 Cb -0.08 -1.70 0.03 0.00 0.02 0.00 0.00 46.19 44.46 2k06 s LEU 70 CO 0.01 0.13 0.04 -0.69 0.02 0.00 0.00 176.35 175.87 2k06 s VAL 71 N 0.57 -0.07 0.08 -1.59 1.01 -0.87 0.78 120.40 120.31 2k06 s VAL 71 Ca -0.05 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 2k06 s VAL 71 Cb -0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 2k06 s VAL 71 CO 0.03 0.14 1.05 -1.58 0.00 0.00 0.00 175.10 174.74 2k06 s GLN 72 N 1.67 4.57 0.10 2.72 0.74 0.45 -1.58 119.66 128.32 2k06 s GLN 72 Ca -0.01 1.57 -0.26 0.00 0.05 0.00 0.00 55.36 56.71 2k06 s GLN 72 Cb -0.12 -3.38 0.08 0.00 1.10 0.00 0.00 33.01 30.69 2k06 s GLN 72 CO -0.03 -0.01 0.86 1.41 -0.55 0.00 0.00 175.29 176.97 2k06 s MET 73 N 0.50 1.10 0.25 1.67 1.75 -0.36 -0.72 119.30 123.48 2k06 s MET 73 Ca 0.52 -0.51 -0.25 0.00 -1.25 0.00 0.00 55.69 54.20 2k06 s MET 73 Cb -0.25 0.44 -0.09 0.00 2.84 0.00 0.00 34.83 37.77 2k06 s MET 73 CO 0.30 -0.49 0.85 0.08 -0.65 0.00 0.00 175.02 175.11 2k06 s VAL 74 N -3.33 4.32 -0.44 10.11 1.01 -0.51 -2.96 120.40 128.60 2k06 s VAL 74 Ca 0.07 1.69 -0.28 0.00 0.00 0.00 0.00 61.98 63.46 2k06 s VAL 74 Cb -0.02 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2k06 s VAL 74 CO -0.04 0.30 1.08 -0.32 0.00 0.00 0.00 175.10 176.11 2k06 s MET 75 N -1.70 3.75 0.16 2.72 1.75 -1.26 -4.89 119.30 119.83 2k06 s MET 75 Ca 0.44 0.58 -0.12 0.00 -1.25 0.00 0.00 55.69 55.33 2k06 s MET 75 Cb -0.20 -3.88 0.01 0.00 2.84 0.00 0.00 34.83 33.60 2k06 s MET 75 CO 0.25 -1.25 0.36 0.54 -0.65 0.00 0.00 175.02 174.26 2k06 s ASN 76 N 2.26 -0.06 0.32 1.11 4.22 -1.26 -5.03 114.94 116.49 2k06 s ASN 76 Ca 0.45 -0.68 0.16 0.00 -2.14 0.00 0.00 52.86 50.65 2k06 s ASN 76 Cb -0.09 0.47 0.43 0.00 1.28 0.00 0.00 41.25 43.34 2k06 s ASN 76 CO 0.27 -0.92 1.62 0.44 -2.04 0.00 0.00 177.10 176.47 2k06 h ASP 77 N 2.45 0.00 0.60 3.54 3.32 -1.99 -2.84 116.42 121.49 2k06 h ASP 77 Ca -0.31 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 2k06 h ASP 77 Cb 1.24 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.79 2k06 h ASP 77 CO 0.46 0.49 -0.29 0.00 -1.72 0.00 0.00 179.24 178.19 2k06 h ALA 78 N 1.51 -0.80 -0.47 3.45 0.00 -1.98 -2.90 119.26 118.07 2k06 h ALA 78 Ca -0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2k06 h ALA 78 Cb 1.11 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 2k06 h ALA 78 CO 0.06 -0.81 0.20 0.66 0.00 0.00 0.00 179.25 179.36 2k06 h SER 79 N -1.07 0.26 -0.65 0.00 4.64 -1.91 -2.28 113.55 112.55 2k06 h SER 79 Ca -0.08 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.35 2k06 h SER 79 Cb 0.67 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.65 2k06 h SER 79 CO 0.13 0.19 -0.55 -0.25 -0.87 0.00 0.00 176.83 175.48 2k06 h TRP 80 N 0.40 -1.70 -0.71 4.77 7.01 -1.48 0.65 115.95 124.89 2k06 h TRP 80 Ca 0.21 0.10 0.07 0.00 2.11 0.00 0.00 58.89 61.38 2k06 h TRP 80 Cb 0.17 0.83 -0.04 0.00 -2.10 0.00 0.00 29.16 28.01 2k06 h TRP 80 CO -0.13 -0.44 0.47 0.45 -2.79 0.00 0.00 178.44 176.00 2k06 h HIS 81 N -0.23 0.72 -0.72 2.65 3.86 -1.27 -1.23 115.15 118.93 2k06 h HIS 81 Ca 0.12 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2k06 h HIS 81 Cb 0.53 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 2k06 h HIS 81 CO -0.83 0.37 0.31 1.25 0.86 0.00 0.00 177.93 179.89 2k06 h LEU 82 N 0.70 0.97 -0.38 2.43 6.46 0.71 -2.60 115.31 123.61 2k06 h LEU 82 Ca 0.31 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2k06 h LEU 82 Cb 0.32 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2k06 h LEU 82 CO -0.10 0.86 0.24 0.58 -0.62 0.00 0.00 178.44 179.39 2k06 h VAL 83 N 1.02 1.12 -0.74 1.05 2.07 0.52 -1.93 116.25 119.35 2k06 h VAL 83 Ca 0.24 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.60 2k06 h VAL 83 Cb 0.18 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2k06 h VAL 83 CO -0.02 0.11 0.49 0.03 0.02 0.00 0.00 177.57 178.20 2k06 h ARG 84 N 0.51 0.66 0.00 1.57 3.08 -1.19 0.11 114.38 119.12 2k06 h ARG 84 Ca 0.14 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2k06 h ARG 84 Cb -0.02 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 2k06 h ARG 84 CO -0.03 0.44 -0.05 1.03 -1.07 0.00 0.00 179.97 180.29 2k06 h SER 85 N 0.68 0.00 -2.08 7.04 0.87 -0.98 -3.42 113.55 115.67 2k06 h SER 85 Ca 0.34 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 60.29 2k06 h SER 85 Cb 0.41 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2k06 h SER 85 CO -0.12 0.05 1.07 0.52 -0.53 0.00 0.00 176.83 177.82 2k06 n VAL 86 N -4.30 0.52 -2.30 2.23 0.31 0.39 -4.92 118.33 110.26 2k06 n VAL 86 Ca -0.03 -0.09 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 2k06 n VAL 86 Cb 0.13 -1.86 -0.00 0.00 -0.91 0.00 0.00 33.84 31.20 2k06 n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2k06 s PRO 87 N 3.73 3.43 -1.27 5.55 0.04 -1.26 -3.52 135.00 141.70 2k06 s PRO 87 Ca 0.91 1.58 -0.08 0.00 0.04 0.00 0.00 61.00 63.45 2k06 s PRO 87 Cb -0.68 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 31.85 2k06 s PRO 87 CO 0.49 -0.78 1.11 0.54 0.04 0.00 0.00 177.00 178.40 2k06 n ARG 88 N -1.23 -7.46 -4.87 4.56 1.74 -1.26 -4.71 116.66 103.41 2k06 n ARG 88 Ca 0.11 0.78 -0.30 0.00 -0.77 0.00 0.00 57.85 57.67 2k06 n ARG 88 Cb 0.51 -5.67 -0.17 0.00 -1.02 0.00 0.00 32.46 26.11 2k06 n ARG 88 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k06 s VAL 89 N -3.30 1.81 -0.04 1.55 0.11 -1.23 -3.83 120.40 115.47 2k06 s VAL 89 Ca 0.54 -0.86 -0.23 0.00 -2.93 0.00 0.00 61.98 58.51 2k06 s VAL 89 Cb -0.24 -1.60 -0.17 0.00 -1.53 0.00 0.00 36.38 32.85 2k06 s VAL 89 CO 0.68 0.50 0.98 0.24 -3.33 0.00 0.00 175.10 174.18 2k06 h MET 90 N 7.00 -0.20 0.00 1.54 2.86 -0.26 -3.48 114.93 122.38 2k06 h MET 90 Ca -0.26 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2k06 h MET 90 Cb 1.21 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2k06 h MET 90 CO 0.49 0.23 0.00 0.41 1.06 0.00 0.00 176.91 179.10 2k06 n GLY 91 N 0.43 -0.50 3.95 8.32 0.00 -1.09 -4.98 105.19 111.31 2k06 n GLY 91 Ca -0.08 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.93 3.44 -0.06 1.61 0.08 -1.26 -0.88 117.98 116.97 2k06 s PHE 92 Ca 0.00 0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.13 2k06 s PHE 92 Cb 0.00 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.84 2k06 s PHE 92 CO 0.00 0.48 -0.21 0.42 -0.10 0.00 0.00 175.22 175.81 2k06 s ILE 93 N -1.88 2.46 0.00 0.64 -1.09 -1.22 -4.66 121.20 115.46 2k06 s ILE 93 Ca 0.34 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2k06 s ILE 93 Cb -0.10 -1.94 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 2k06 s ILE 93 CO 0.28 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 175.17 2k06 n GLY 94 N 2.85 2.81 6.25 6.18 0.00 -1.26 -4.48 105.19 117.54 2k06 n GLY 94 Ca -0.17 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2k06 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k06 n GLY 95 N 0.69 0.39 1.00 -0.02 0.00 -1.26 -4.18 105.19 101.81 2k06 n GLY 95 Ca 0.00 0.57 -0.06 0.00 0.00 0.00 0.00 46.02 46.53 2k06 n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k06 n THR 96 N 0.00 0.00 -0.54 2.61 -2.24 -1.26 -5.03 114.28 107.83 2k06 n THR 96 Ca 0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2k06 n THR 96 Cb 0.00 0.38 0.28 0.00 -2.10 0.00 0.00 70.33 68.89 2k06 n THR 96 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2k06 n SER 97 N -2.57 4.46 0.00 3.42 3.41 -1.26 -3.97 113.62 117.12 2k06 n SER 97 Ca 0.02 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 2k06 n SER 97 Cb 0.19 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2k06 n SER 97 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k06 n ASP 98 N 0.20 4.87 -3.29 4.04 8.00 -1.26 -4.68 116.55 124.44 2k06 n ASP 98 Ca 0.27 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.70 2k06 n ASP 98 Cb 1.09 0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 42.86 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 -1.96 0.42 -0.19 -1.24 0.52 -1.25 -5.06 118.95 110.19 2k06 s ARG 99 Ca 0.00 0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 55.20 2k06 s ARG 99 Cb 0.00 -0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.18 2k06 s ARG 99 CO 0.00 -0.94 1.79 -1.25 0.02 0.00 0.00 175.30 174.91 2k06 s PRO 100 N 2.58 3.71 0.38 3.54 0.04 -1.26 -4.03 135.00 139.96 2k06 s PRO 100 Ca 0.11 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.73 2k06 s PRO 100 Cb -0.13 -4.12 -0.11 0.00 0.04 0.00 0.00 34.50 30.18 2k06 s PRO 100 CO -0.27 -1.42 1.47 0.00 0.04 0.00 0.00 177.00 176.83 2k06 n ALA 101 N 8.98 2.28 -1.61 8.56 0.00 -1.26 -4.95 120.51 132.50 2k06 n ALA 101 Ca 0.21 0.33 -0.34 0.00 0.00 0.00 0.00 53.44 53.65 2k06 n ALA 101 Cb 0.45 -2.41 0.03 0.00 0.00 0.00 0.00 19.45 17.52 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 -2.13 3.05 0.17 0.00 0.04 -1.26 -4.83 135.00 130.04 2k06 s PRO 102 Ca 0.54 1.43 0.07 0.00 0.04 0.00 0.00 61.00 63.09 2k06 s PRO 102 Cb -0.48 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 2k06 s PRO 102 CO 0.63 -1.06 -0.15 0.96 0.04 0.00 0.00 177.00 177.42 2k06 s ILE 103 N -2.18 1.65 0.54 0.56 -4.36 -1.23 -5.03 121.20 111.15 2k06 s ILE 103 Ca 0.68 -2.01 -0.19 0.00 -0.26 0.00 0.00 60.65 58.87 2k06 s ILE 103 Cb -0.21 -1.86 -0.06 0.00 1.25 0.00 0.00 42.46 41.58 2k06 s ILE 103 CO 0.36 -0.48 1.08 -0.94 0.24 0.00 0.00 174.94 175.20 2k06 s SER 104 N -2.93 5.92 0.36 4.36 1.04 -1.26 -4.30 113.70 116.88 2k06 s SER 104 Ca 0.17 2.02 0.04 0.00 0.48 0.00 0.00 55.95 58.66 2k06 s SER 104 Cb -0.03 -2.56 0.68 0.00 0.10 0.00 0.00 66.02 64.20 2k06 s SER 104 CO 0.06 -1.08 1.97 0.44 0.98 0.00 0.00 173.24 175.61 2k06 h ASP 105 N 1.14 0.57 -0.88 7.02 3.32 -1.99 -1.98 116.42 123.61 2k06 h ASP 105 Ca -0.49 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 2k06 h ASP 105 Cb 1.24 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 2k06 h ASP 105 CO 0.58 0.50 0.47 0.50 -1.72 0.00 0.00 179.24 179.56 2k06 h LYS 106 N 0.64 1.24 -0.82 3.56 3.64 -2.00 -2.27 116.57 120.56 2k06 h LYS 106 Ca 0.16 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2k06 h LYS 106 Cb 0.08 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 2k06 h LYS 106 CO -0.02 0.92 0.54 1.49 -2.27 0.00 0.00 179.45 180.11 2k06 h GLU 107 N 1.24 1.05 -0.74 1.90 4.81 -1.73 -1.55 114.58 119.56 2k06 h GLU 107 Ca 0.31 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2k06 h GLU 107 Cb 0.06 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 2k06 h GLU 107 CO -0.05 0.70 0.48 0.28 -0.73 0.00 0.00 179.01 179.69 2k06 h VAL 108 N 1.09 1.20 -0.69 0.32 2.07 -1.27 -1.31 116.25 117.66 2k06 h VAL 108 Ca 0.31 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2k06 h VAL 108 Cb -0.08 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 2k06 h VAL 108 CO -0.08 0.20 0.16 0.44 0.02 0.00 0.00 177.57 178.30 2k06 h ASP 109 N 1.02 1.06 -0.43 0.57 3.32 -0.98 -2.73 116.42 118.25 2k06 h ASP 109 Ca 0.27 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2k06 h ASP 109 Cb -0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 2k06 h ASP 109 CO -0.06 1.03 0.01 0.00 -1.72 0.00 0.00 179.24 178.50 2k06 h ALA 110 N 1.07 0.58 -0.41 3.45 0.00 -0.79 -2.54 119.26 120.62 2k06 h ALA 110 Ca 0.22 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2k06 h ALA 110 Cb 0.39 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2k06 h ALA 110 CO 0.00 0.36 -0.06 0.82 0.00 0.00 0.00 179.25 180.37 2k06 h ILE 111 N 0.59 0.63 -0.67 0.00 2.04 -1.03 0.51 117.51 119.59 2k06 h ILE 111 Ca 0.12 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2k06 h ILE 111 Cb 0.47 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2k06 h ILE 111 CO 0.02 0.01 0.43 0.24 0.00 0.00 0.00 178.15 178.85 2k06 h MET 112 N 0.04 0.88 -0.57 2.37 2.86 -1.35 -1.30 114.93 117.86 2k06 h MET 112 Ca 0.20 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2k06 h MET 112 Cb 0.30 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2k06 h MET 112 CO -0.39 0.59 0.38 -0.91 1.06 0.00 0.00 176.91 177.64 2k06 h ASN 113 N 0.91 0.50 -0.61 1.22 2.35 -0.48 -1.80 115.58 117.66 2k06 h ASN 113 Ca 0.24 -0.00 0.11 0.00 -0.55 0.00 0.00 56.30 56.10 2k06 h ASN 113 Cb -0.09 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.09 2k06 h ASN 113 CO -0.05 0.33 0.18 -0.09 -1.65 0.00 0.00 177.43 176.15 2k06 h ARG 114 N 0.57 0.32 -0.86 0.81 2.43 -0.69 -0.28 114.38 116.68 2k06 h ARG 114 Ca 0.24 -0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.61 2k06 h ARG 114 Cb 0.22 -0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 29.56 2k06 h ARG 114 CO -0.07 0.21 0.17 1.25 -1.51 0.00 0.00 179.97 180.02 2k06 h LEU 115 N 0.33 -0.11 -1.16 3.80 5.85 -1.41 1.17 115.31 123.78 2k06 h LEU 115 Ca 0.32 0.20 -0.08 0.00 0.84 0.00 0.00 57.88 59.16 2k06 h LEU 115 Cb 0.45 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2k06 h LEU 115 CO -0.36 -0.18 -0.39 -0.61 -0.34 0.00 0.00 178.44 176.56 2k06 h GLN 116 N 0.17 0.00 -0.99 1.25 4.15 -1.17 -2.88 115.11 115.64 2k06 h GLN 116 Ca 0.52 0.00 0.22 0.00 0.77 0.00 0.00 58.65 60.16 2k06 h GLN 116 Cb 1.03 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.63 2k06 h GLN 116 CO -0.68 0.39 0.62 0.37 -1.93 0.00 0.00 178.83 177.61 2k06 h GLN 117 N 0.00 0.57 -6.62 1.69 4.15 0.20 -3.39 115.11 111.70 2k06 h GLN 117 Ca -0.00 -0.03 -0.53 0.00 0.77 0.00 0.00 58.65 58.86 2k06 h GLN 117 Cb 0.76 -0.13 0.03 0.00 0.21 0.00 0.00 27.48 28.36 2k06 h GLN 117 CO 0.05 0.38 0.70 0.08 -1.93 0.00 0.00 178.83 178.11 2k06 s VAL 118 N -5.67 3.20 -0.75 2.39 1.01 -1.09 -4.94 120.40 114.55 2k06 s VAL 118 Ca -0.10 0.92 -0.24 0.00 0.00 0.00 0.00 61.98 62.56 2k06 s VAL 118 Cb 0.25 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 33.09 2k06 s VAL 118 CO 0.80 0.11 1.18 -0.83 0.00 0.00 0.00 175.10 176.35 2k06 s GLY 119 N 0.72 1.16 0.27 4.51 0.00 -1.26 -4.86 107.32 107.85 2k06 s GLY 119 Ca 0.61 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2k06 s GLY 119 CO 0.35 2.41 1.80 -0.55 0.00 0.00 0.00 173.10 177.10 2k06 h ASP 120 N 9.77 0.72 -3.05 1.64 3.32 -1.92 -3.26 116.42 123.65 2k06 h ASP 120 Ca -0.20 0.07 -0.61 0.00 0.02 0.00 0.00 57.03 56.31 2k06 h ASP 120 Cb 1.05 -0.06 -0.40 0.00 0.22 0.00 0.00 39.33 40.14 2k06 h ASP 120 CO 1.25 0.35 -0.74 -0.75 -1.72 0.00 0.00 179.24 177.62 2k06 s LYS 121 N -5.96 1.63 0.48 3.56 2.47 -1.26 -4.93 119.74 115.73 2k06 s LYS 121 Ca -0.12 -2.55 0.31 0.00 -1.56 0.00 0.00 55.97 52.05 2k06 s LYS 121 Cb 0.22 -2.50 1.32 0.00 -1.46 0.00 0.00 37.83 35.41 2k06 s LYS 121 CO 0.79 -1.27 1.93 -1.00 0.16 0.00 0.00 175.35 175.96 2k06 h PRO 122 N 5.91 0.00 0.00 4.03 0.13 -1.99 -3.56 132.00 136.53 2k06 h PRO 122 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2k06 h PRO 122 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2k06 h PRO 122 CO 0.54 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.85