#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k06 h SER 2 N 0.00 0.62 -0.43 7.83 0.87 -2.06 -0.27 113.55 120.12 2k06 h SER 2 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2k06 h SER 2 Cb 0.00 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2k06 h SER 2 CO 0.00 0.40 0.24 -0.33 -0.53 0.00 0.00 176.83 176.61 2k06 h GLU 3 N 0.70 0.61 -2.92 2.24 5.08 -2.11 -3.28 114.58 114.90 2k06 h GLU 3 Ca 0.30 -0.06 -0.61 0.00 -1.00 0.00 0.00 59.36 57.99 2k06 h GLU 3 Cb 0.29 -0.13 -0.41 0.00 0.50 0.00 0.00 28.75 29.00 2k06 h GLU 3 CO -0.10 0.46 -0.66 0.00 -1.00 0.00 0.00 179.01 177.70 2k06 s ALA 4 N -5.43 3.30 0.34 3.43 0.00 -0.12 -5.09 121.76 118.18 2k06 s ALA 4 Ca -0.09 -3.55 -0.28 0.00 0.00 0.00 0.00 51.96 48.05 2k06 s ALA 4 Cb 0.17 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 2k06 s ALA 4 CO 0.75 -2.07 1.20 -1.25 0.00 0.00 0.00 175.76 174.39 2k06 s PRO 5 N -1.14 4.34 0.10 0.00 0.04 -1.17 -4.70 135.00 132.46 2k06 s PRO 5 Ca 0.27 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.34 2k06 s PRO 5 Cb -0.02 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 2k06 s PRO 5 CO -0.18 -0.11 -0.03 0.15 0.04 0.00 0.00 177.00 176.87 2k06 s LYS 6 N -1.86 2.40 -0.16 4.56 1.02 -1.26 -5.11 119.74 119.33 2k06 s LYS 6 Ca 0.50 -0.91 -0.10 0.00 0.02 0.00 0.00 55.97 55.48 2k06 s LYS 6 Cb -0.34 -2.46 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 2k06 s LYS 6 CO 0.45 0.53 0.17 0.15 -0.92 0.00 0.00 175.35 175.73 2k06 s LYS 7 N -2.30 3.98 0.13 1.68 1.02 -1.26 -4.57 119.74 118.42 2k06 s LYS 7 Ca 0.24 -0.11 0.04 0.00 0.02 0.00 0.00 55.97 56.16 2k06 s LYS 7 Cb -0.11 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 2k06 s LYS 7 CO 0.17 0.44 -0.09 1.03 -0.92 0.00 0.00 175.35 175.98 2k06 s ARG 8 N -0.08 0.99 -0.17 1.68 0.52 -1.24 -4.95 118.95 115.70 2k06 s ARG 8 Ca 0.12 -1.40 -0.10 0.00 -0.52 0.00 0.00 55.73 53.84 2k06 s ARG 8 Cb -0.12 -0.52 -0.05 0.00 0.52 0.00 0.00 34.95 34.79 2k06 s ARG 8 CO 0.01 0.05 0.16 -1.58 0.02 0.00 0.00 175.30 173.97 2k06 s TRP 9 N -3.31 3.47 0.11 -0.53 0.52 -1.26 0.43 118.94 118.37 2k06 s TRP 9 Ca 0.14 0.43 0.05 0.00 0.02 0.00 0.00 56.10 56.74 2k06 s TRP 9 Cb 0.03 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.17 2k06 s TRP 9 CO -0.01 0.39 -0.12 0.71 0.02 0.00 0.00 176.95 177.94 2k06 s TYR 10 N 0.02 1.26 0.06 -1.98 2.02 -0.64 -3.47 117.35 114.62 2k06 s TYR 10 Ca 0.11 -0.60 -0.07 0.00 -0.37 0.00 0.00 57.07 56.14 2k06 s TYR 10 Cb -0.12 -0.67 -0.05 0.00 -0.40 0.00 0.00 41.96 40.73 2k06 s TYR 10 CO 0.00 0.09 0.33 0.08 -1.57 0.00 0.00 175.55 174.48 2k06 s VAL 11 N -2.33 5.21 -0.16 0.71 1.01 -1.26 -0.80 120.40 122.79 2k06 s VAL 11 Ca 0.08 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2k06 s VAL 11 Cb -0.04 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2k06 s VAL 11 CO 0.02 0.27 -0.20 -0.69 0.00 0.00 0.00 175.10 174.51 2k06 s VAL 12 N -1.40 2.22 -0.11 2.92 1.01 0.46 -3.09 120.40 122.40 2k06 s VAL 12 Ca 0.32 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 2k06 s VAL 12 Cb -0.13 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2k06 s VAL 12 CO 0.19 0.54 0.42 -1.58 0.00 0.00 0.00 175.10 174.67 2k06 s GLN 13 N 0.97 4.25 0.00 2.72 0.74 -0.68 -0.83 119.66 126.82 2k06 s GLN 13 Ca -0.03 0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.74 2k06 s GLN 13 Cb -0.15 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.56 2k06 s GLN 13 CO -0.05 0.26 0.00 0.00 -0.55 0.00 0.00 175.29 174.96 2k06 n ALA 14 N 3.34 0.00 -2.75 1.58 0.00 0.53 0.51 120.51 123.73 2k06 n ALA 14 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 2k06 n ALA 14 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 2k06 n ALA 14 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2k06 s PHE 15 N 0.44 3.50 0.05 0.00 5.36 -1.18 -4.27 117.98 121.88 2k06 s PHE 15 Ca 0.00 0.52 -0.34 0.00 -0.96 0.00 0.00 56.93 56.15 2k06 s PHE 15 Cb 0.00 -2.17 -0.13 0.00 -0.34 0.00 0.00 43.02 40.38 2k06 s PHE 15 CO 0.00 0.42 1.69 0.45 -1.46 0.00 0.00 175.22 176.32 2k06 n SER 16 N 2.99 3.15 0.00 6.13 2.88 -1.26 -0.31 113.62 127.20 2k06 n SER 16 Ca -0.16 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 2k06 n SER 16 Cb 0.53 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 2k06 n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k06 n GLY 17 N 3.77 3.07 0.95 0.46 0.00 -1.26 -4.78 105.19 107.40 2k06 n GLY 17 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.57 0.56 -0.12 1.61 3.72 0.58 -4.47 117.46 118.78 2k06 n PHE 18 Ca 0.00 -0.38 0.10 0.00 -0.05 0.00 0.00 57.45 57.12 2k06 n PHE 18 Cb 0.00 -0.01 0.44 0.00 -0.94 0.00 0.00 39.48 38.97 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 3.32 0.53 -0.24 -1.08 4.11 -1.77 -0.60 114.58 118.85 2k06 h GLU 19 Ca 0.00 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.23 2k06 h GLU 19 Cb 0.84 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k06 h GLU 19 CO 0.00 0.35 -0.54 0.78 0.07 0.00 0.00 179.01 179.67 2k06 h GLY 20 N 0.55 0.77 0.81 1.06 0.00 -1.90 -3.05 103.07 101.31 2k06 h GLY 20 Ca 0.29 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 2k06 h GLY 20 CO -0.09 0.80 0.00 -0.09 0.00 0.00 0.00 176.54 177.16 2k06 h ARG 21 N 0.54 0.02 -1.00 4.80 2.43 -1.44 -2.25 114.38 117.48 2k06 h ARG 21 Ca 0.01 -0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.40 2k06 h ARG 21 Cb 1.11 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.55 2k06 h ARG 21 CO 0.11 0.20 0.62 0.28 -1.51 0.00 0.00 179.97 179.67 2k06 h VAL 22 N -0.17 0.64 -0.63 0.20 2.07 -1.32 0.39 116.25 117.43 2k06 h VAL 22 Ca 0.00 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 2k06 h VAL 22 Cb 0.19 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2k06 h VAL 22 CO -0.00 0.11 0.04 0.00 0.02 0.00 0.00 177.57 177.75 2k06 h ALA 23 N 1.65 0.88 -0.15 1.67 0.00 -1.34 0.28 119.26 122.26 2k06 h ALA 23 Ca 0.58 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2k06 h ALA 23 Cb 1.10 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k06 h ALA 23 CO -0.36 0.67 -0.10 1.15 0.00 0.00 0.00 179.25 180.60 2k06 h THR 24 N 0.99 1.33 -0.62 0.00 2.02 0.18 -2.80 112.91 114.01 2k06 h THR 24 Ca 0.18 -1.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.07 2k06 h THR 24 Cb 0.51 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 2k06 h THR 24 CO 0.02 0.35 0.04 0.28 0.37 0.00 0.00 175.52 176.59 2k06 h SER 25 N -0.02 1.03 -0.75 4.18 0.02 -0.57 -2.78 113.55 114.66 2k06 h SER 25 Ca 0.03 -0.27 0.10 0.00 -0.84 0.00 0.00 61.79 60.81 2k06 h SER 25 Cb 0.60 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 2k06 h SER 25 CO 0.03 1.06 0.38 0.25 -1.14 0.00 0.00 176.83 177.41 2k06 h LEU 26 N 0.98 0.50 -1.32 5.07 5.85 -0.39 0.54 115.31 126.55 2k06 h LEU 26 Ca 0.18 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.02 2k06 h LEU 26 Cb 0.51 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 2k06 h LEU 26 CO 0.02 0.27 0.50 -0.09 -0.34 0.00 0.00 178.44 178.81 2k06 h ARG 27 N 0.63 0.82 0.16 1.25 2.43 -1.22 0.12 114.38 118.57 2k06 h ARG 27 Ca 0.37 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2k06 h ARG 27 Cb 0.41 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2k06 h ARG 27 CO -0.28 0.54 -0.08 0.93 -1.51 0.00 0.00 179.97 179.57 2k06 h GLU 28 N 0.84 -0.21 -0.26 0.20 5.08 -0.88 -0.65 114.58 118.71 2k06 h GLU 28 Ca 0.32 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.72 2k06 h GLU 28 Cb 0.20 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2k06 h GLU 28 CO -0.11 0.16 0.11 0.45 -1.00 0.00 0.00 179.01 178.62 2k06 h HIS 29 N -0.61 0.21 0.15 4.33 3.86 -0.90 0.16 115.15 122.34 2k06 h HIS 29 Ca -0.02 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2k06 h HIS 29 Cb 0.46 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 2k06 h HIS 29 CO 0.05 0.11 -0.17 0.82 0.86 0.00 0.00 177.93 179.60 2k06 h ILE 30 N 0.24 0.63 -0.71 2.45 2.04 -0.78 0.97 117.51 122.36 2k06 h ILE 30 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.02 2k06 h ILE 30 Cb 0.05 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2k06 h ILE 30 CO -0.09 0.00 0.42 0.50 0.00 0.00 0.00 178.15 178.98 2k06 h LYS 31 N -0.35 0.77 -0.03 2.37 3.64 -0.82 1.54 116.57 123.70 2k06 h LYS 31 Ca 0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2k06 h LYS 31 Cb 0.34 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2k06 h LYS 31 CO -0.06 0.51 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.55 2k06 h LEU 32 N 0.80 0.05 -0.04 5.20 3.38 -0.15 -2.68 115.31 121.87 2k06 h LEU 32 Ca 0.30 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2k06 h LEU 32 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2k06 h LEU 32 CO -0.15 0.45 0.00 1.41 0.09 0.00 0.00 178.44 180.24 2k06 n HIS 33 N -4.85 0.01 -3.74 1.13 8.25 0.33 -4.89 115.22 111.46 2k06 n HIS 33 Ca -0.08 -0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.15 2k06 n HIS 33 Cb 0.23 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.36 2k06 n HIS 33 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2k06 n ASN 34 N -0.75 -1.20 -0.99 0.41 5.15 0.49 -4.86 115.26 113.50 2k06 n ASN 34 Ca 0.14 -0.86 0.10 0.00 -0.60 0.00 0.00 54.58 53.36 2k06 n ASN 34 Cb 0.07 -3.85 0.18 0.00 -0.53 0.00 0.00 39.78 35.65 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 -4.28 2.29 -0.29 1.20 2.81 0.99 -4.46 117.12 115.37 2k06 n MET 35 Ca -0.29 -2.10 0.24 0.00 -1.81 0.00 0.00 57.70 53.73 2k06 n MET 35 Cb 0.68 -1.44 0.55 0.00 -0.71 0.00 0.00 33.22 32.29 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 3.89 0.32 -0.74 0.03 5.08 -1.86 0.30 114.58 121.61 2k06 h GLU 36 Ca 0.00 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2k06 h GLU 36 Cb 0.89 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 2k06 h GLU 36 CO 0.00 0.21 0.45 -0.44 -1.00 0.00 0.00 179.01 178.23 2k06 h ASP 37 N 0.33 0.71 0.00 1.42 3.32 -1.95 -2.84 116.42 117.41 2k06 h ASP 37 Ca 0.55 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.61 2k06 h ASP 37 Cb 1.52 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2k06 h ASP 37 CO -0.22 0.48 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.71 2k06 h LEU 38 N 0.85 -0.00 -9.55 1.55 3.38 -0.78 -3.43 115.31 107.32 2k06 h LEU 38 Ca 0.31 -0.63 -0.53 0.00 0.09 0.00 0.00 57.88 57.12 2k06 h LEU 38 Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k06 h LEU 38 CO -0.14 0.63 0.65 -0.36 0.09 0.00 0.00 178.44 179.31 2k06 s PHE 39 N -3.63 3.33 -0.02 1.13 0.08 -0.54 -3.57 117.98 114.75 2k06 s PHE 39 Ca -0.17 1.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.98 2k06 s PHE 39 Cb 0.00 -3.56 -0.01 0.00 -0.57 0.00 0.00 43.02 38.87 2k06 s PHE 39 CO 0.67 -1.86 -0.08 0.41 -0.10 0.00 0.00 175.22 174.26 2k06 n GLY 40 N 3.18 -0.25 2.76 4.36 0.00 0.23 -4.75 105.19 110.73 2k06 n GLY 40 Ca 0.09 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.68 0.36 -0.04 1.61 2.12 -1.24 -4.96 118.70 114.87 2k06 s GLU 41 Ca -0.07 0.16 -0.16 0.00 0.36 0.00 0.00 54.97 55.26 2k06 s GLU 41 Cb 0.01 -0.73 -0.05 0.00 0.26 0.00 0.00 34.13 33.62 2k06 s GLU 41 CO 0.10 -0.26 0.44 0.54 -0.54 0.00 0.00 175.26 175.54 2k06 s VAL 42 N 1.76 5.07 -0.17 3.70 0.11 -1.26 -1.37 120.40 128.24 2k06 s VAL 42 Ca 0.01 0.90 0.00 0.00 -2.93 0.00 0.00 61.98 59.97 2k06 s VAL 42 Cb -0.13 -3.76 0.03 0.00 -1.53 0.00 0.00 36.38 30.99 2k06 s VAL 42 CO -0.04 0.48 -0.11 -0.04 -3.33 0.00 0.00 175.10 172.06 2k06 s MET 43 N -0.41 2.07 -0.47 1.54 1.00 0.61 -4.96 119.30 118.67 2k06 s MET 43 Ca 0.25 -0.65 0.04 0.00 0.00 0.00 0.00 55.69 55.32 2k06 s MET 43 Cb -0.16 -2.19 0.16 0.00 0.00 0.00 0.00 34.83 32.64 2k06 s MET 43 CO 0.12 -0.33 0.35 0.54 0.00 0.00 0.00 175.02 175.70 2k06 s VAL 44 N 1.48 0.92 0.12 -6.03 0.11 -1.26 -0.40 120.40 115.34 2k06 s VAL 44 Ca 0.02 -2.88 -0.31 0.00 -2.93 0.00 0.00 61.98 55.88 2k06 s VAL 44 Cb -0.14 -1.64 -0.08 0.00 -1.53 0.00 0.00 36.38 32.99 2k06 s VAL 44 CO -0.09 -1.14 1.38 -2.16 -3.33 0.00 0.00 175.10 169.76 2k06 s PRO 45 N -0.13 4.33 0.00 1.54 0.04 -1.26 -4.91 135.00 134.61 2k06 s PRO 45 Ca 0.29 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2k06 s PRO 45 Cb -0.03 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2k06 s PRO 45 CO -0.16 -0.42 0.36 0.25 0.04 0.00 0.00 177.00 177.08 2k06 n THR 46 N 3.79 0.00 -3.02 1.26 -2.24 -1.26 -5.01 114.28 107.80 2k06 n THR 46 Ca 0.11 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 2k06 n THR 46 Cb 0.42 1.22 0.01 0.00 -2.10 0.00 0.00 70.33 69.88 2k06 n THR 46 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2k06 n GLU 47 N -0.04 -2.09 -1.75 -0.78 2.13 -1.26 -4.80 120.64 112.05 2k06 n GLU 47 Ca 0.00 1.85 -0.42 0.00 0.66 0.00 0.00 57.16 59.25 2k06 n GLU 47 Cb 0.06 -3.63 -0.01 0.00 0.27 0.00 0.00 31.44 28.13 2k06 n GLU 47 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k06 n GLU 48 N 0.49 2.60 -4.47 5.31 -0.58 -1.26 -5.00 120.64 117.73 2k06 n GLU 48 Ca 0.01 0.92 -0.21 0.00 -0.42 0.00 0.00 57.16 57.46 2k06 n GLU 48 Cb 0.36 -2.65 -0.15 0.00 -0.57 0.00 0.00 31.44 28.43 2k06 n GLU 48 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2k06 s VAL 49 N -0.54 0.87 0.12 2.62 0.11 -1.26 -5.15 120.40 117.17 2k06 s VAL 49 Ca 0.59 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 59.26 2k06 s VAL 49 Cb -0.50 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 2k06 s VAL 49 CO 0.56 0.26 -0.15 0.54 -3.33 0.00 0.00 175.10 172.98 2k06 s VAL 50 N -0.05 1.40 0.23 2.04 0.11 -1.26 -5.15 120.40 117.71 2k06 s VAL 50 Ca 0.01 -1.70 0.12 0.00 -2.93 0.00 0.00 61.98 57.47 2k06 s VAL 50 Cb -0.07 -1.54 -0.05 0.00 -1.53 0.00 0.00 36.38 33.20 2k06 s VAL 50 CO 0.00 -0.37 -0.21 -0.70 -3.33 0.00 0.00 175.10 170.49 2k06 s GLU 51 N -2.58 1.62 -0.19 1.54 2.12 -1.26 -5.12 118.70 114.83 2k06 s GLU 51 Ca 0.09 -1.61 -0.04 0.00 0.36 0.00 0.00 54.97 53.76 2k06 s GLU 51 Cb -0.06 -1.83 0.08 0.00 0.26 0.00 0.00 34.13 32.58 2k06 s GLU 51 CO 0.03 0.37 0.16 0.42 -0.54 0.00 0.00 175.26 175.71 2k06 s ILE 52 N -2.03 -0.21 0.40 -3.70 1.01 -1.26 -5.07 121.20 110.33 2k06 s ILE 52 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2k06 s ILE 52 Cb -0.07 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.76 2k06 s ILE 52 CO 0.12 -0.26 0.00 0.54 0.00 0.00 0.00 174.94 175.34 2k06 n ARG 53 N 5.30 -4.16 0.00 2.79 1.74 -1.26 -5.00 116.66 116.07 2k06 n ARG 53 Ca -0.06 3.06 0.00 0.00 -0.77 0.00 0.00 57.85 60.08 2k06 n ARG 53 Cb 0.49 -3.41 0.00 0.00 -1.02 0.00 0.00 32.46 28.53 2k06 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k06 n GLY 54 N -0.33 -2.86 0.00 -0.13 0.00 -1.26 -5.11 105.19 95.49 2k06 n GLY 54 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.17 -0.75 3.25 -0.02 0.00 -1.26 -5.13 105.19 101.11 2k06 n GLY 55 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 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 1.09 0.39 1.61 -0.21 -1.26 -5.02 119.66 114.27 2k06 s GLN 56 Ca 0.00 -1.08 0.09 0.00 0.02 0.00 0.00 55.36 54.39 2k06 s GLN 56 Cb 0.00 -1.28 0.85 0.00 1.00 0.00 0.00 33.01 33.58 2k06 s GLN 56 CO 0.00 0.30 1.98 0.00 -2.12 0.00 0.00 175.29 175.45 2k06 h ARG 57 N 4.25 0.60 -5.65 2.91 3.08 -2.07 -3.41 114.38 114.09 2k06 h ARG 57 Ca -0.44 -0.04 -0.52 0.00 0.07 0.00 0.00 59.98 59.05 2k06 h ARG 57 Cb 1.18 -0.13 -0.27 0.00 0.08 0.00 0.00 29.97 30.83 2k06 h ARG 57 CO 0.40 0.40 -0.82 1.03 -1.07 0.00 0.00 179.97 179.91 2k06 s ARG 58 N -5.56 1.22 0.02 0.04 0.52 -1.26 -5.12 118.95 108.81 2k06 s ARG 58 Ca -0.09 -0.76 -0.27 0.00 -0.52 0.00 0.00 55.73 54.09 2k06 s ARG 58 Cb 0.19 -1.24 -0.04 0.00 0.52 0.00 0.00 34.95 34.38 2k06 s ARG 58 CO 0.76 0.32 0.87 0.21 0.02 0.00 0.00 175.30 177.48 2k06 s LYS 59 N -0.89 4.54 -0.02 3.54 2.47 -1.26 -5.05 119.74 123.08 2k06 s LYS 59 Ca 0.05 1.23 0.05 0.00 -1.56 0.00 0.00 55.97 55.74 2k06 s LYS 59 Cb -0.08 -3.42 -0.01 0.00 -1.46 0.00 0.00 37.83 32.86 2k06 s LYS 59 CO 0.01 0.10 -0.16 0.45 0.16 0.00 0.00 175.35 175.90 2k06 s SER 60 N 0.55 1.90 -0.07 1.43 0.15 -1.26 -5.13 113.70 111.27 2k06 s SER 60 Ca 0.45 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.85 2k06 s SER 60 Cb -0.21 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.81 2k06 s SER 60 CO 0.25 0.19 -0.20 -1.61 1.20 0.00 0.00 173.24 173.07 2k06 s GLU 61 N -0.29 2.67 0.04 5.44 2.02 -1.26 -5.02 118.70 122.29 2k06 s GLU 61 Ca 0.04 -0.80 -0.19 0.00 0.02 0.00 0.00 54.97 54.04 2k06 s GLU 61 Cb -0.07 -2.31 -0.16 0.00 0.10 0.00 0.00 34.13 31.69 2k06 s GLU 61 CO -0.00 0.43 1.28 0.00 0.02 0.00 0.00 175.26 176.99 2k06 h ARG 62 N 5.93 0.44 -6.41 1.61 3.08 -2.02 -3.47 114.38 113.53 2k06 h ARG 62 Ca -0.36 -0.29 -0.44 0.00 0.07 0.00 0.00 59.98 58.96 2k06 h ARG 62 Cb 1.17 0.04 0.04 0.00 0.08 0.00 0.00 29.97 31.30 2k06 h ARG 62 CO 0.50 0.90 -0.89 1.63 -1.07 0.00 0.00 179.97 181.04 2k06 n LYS 63 N -4.40 -1.07 -0.13 0.04 4.76 -1.26 -4.81 118.16 111.29 2k06 n LYS 63 Ca -0.07 0.55 0.01 0.00 -2.87 0.00 0.00 58.31 55.93 2k06 n LYS 63 Cb 0.48 -3.52 0.30 0.00 -1.84 0.00 0.00 35.03 30.45 2k06 n LYS 63 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2k06 h PHE 64 N -1.46 0.78 -3.49 2.13 0.04 -1.95 -3.36 116.94 109.63 2k06 h PHE 64 Ca -0.60 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 59.46 2k06 h PHE 64 Cb 1.34 -0.26 -0.27 0.00 2.20 0.00 0.00 35.95 38.97 2k06 h PHE 64 CO 0.30 0.52 -0.48 -0.06 -0.60 0.00 0.00 178.31 178.00 2k06 s PHE 65 N -5.61 3.30 -0.80 -0.55 0.08 -1.26 -4.99 117.98 108.14 2k06 s PHE 65 Ca -0.10 -1.32 -0.22 0.00 0.12 0.00 0.00 56.93 55.41 2k06 s PHE 65 Cb 0.17 -2.79 -0.15 0.00 -0.57 0.00 0.00 43.02 39.68 2k06 s PHE 65 CO 0.77 -0.78 1.92 -0.35 -0.10 0.00 0.00 175.22 176.68 2k06 n PRO 66 N 4.95 1.50 -2.56 0.24 -0.04 -1.26 -3.85 135.00 133.98 2k06 n PRO 66 Ca -0.11 -1.89 -0.05 0.00 -0.04 0.00 0.00 63.50 61.40 2k06 n PRO 66 Cb 0.44 -2.99 0.02 0.00 -0.04 0.00 0.00 33.50 30.94 2k06 n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k06 n GLY 67 N 4.65 0.38 3.32 0.55 0.00 -1.26 -4.32 105.19 108.51 2k06 n GLY 67 Ca 0.49 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.09 2.95 0.04 1.61 1.51 -1.25 0.20 117.35 119.32 2k06 s TYR 68 Ca 0.07 -0.90 0.03 0.00 -1.01 0.00 0.00 57.07 55.26 2k06 s TYR 68 Cb -0.03 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 2k06 s TYR 68 CO 0.19 -0.52 -0.10 0.08 -1.11 0.00 0.00 175.55 174.09 2k06 s VAL 69 N 1.39 0.78 -0.17 0.71 1.01 -0.01 -4.80 120.40 119.31 2k06 s VAL 69 Ca 0.05 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2k06 s VAL 69 Cb -0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2k06 s VAL 69 CO -0.03 -0.15 0.04 -0.76 0.00 0.00 0.00 175.10 174.20 2k06 s LEU 70 N -1.20 3.69 -0.04 3.92 2.01 0.46 0.17 118.68 127.69 2k06 s LEU 70 Ca -0.03 0.05 -0.01 0.00 0.01 0.00 0.00 54.13 54.15 2k06 s LEU 70 Cb -0.08 -1.92 0.03 0.00 0.01 0.00 0.00 46.19 44.23 2k06 s LEU 70 CO 0.01 0.20 0.02 -0.69 1.01 0.00 0.00 176.35 176.90 2k06 s VAL 71 N 0.23 0.07 -0.22 -1.59 1.01 0.02 0.22 120.40 120.14 2k06 s VAL 71 Ca 0.02 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2k06 s VAL 71 Cb -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2k06 s VAL 71 CO 0.01 0.16 1.10 -1.58 0.00 0.00 0.00 175.10 174.79 2k06 s GLN 72 N 1.49 4.23 0.07 2.72 0.74 -0.47 -1.61 119.66 126.83 2k06 s GLN 72 Ca -0.03 1.40 -0.27 0.00 0.05 0.00 0.00 55.36 56.51 2k06 s GLN 72 Cb -0.13 -3.68 0.08 0.00 1.10 0.00 0.00 33.01 30.38 2k06 s GLN 72 CO -0.03 -0.68 0.87 1.41 -0.55 0.00 0.00 175.29 176.31 2k06 s MET 73 N 3.33 1.02 0.17 1.67 1.75 0.17 0.75 119.30 128.17 2k06 s MET 73 Ca 0.47 -0.46 -0.11 0.00 -1.25 0.00 0.00 55.69 54.35 2k06 s MET 73 Cb -0.16 0.42 -0.07 0.00 2.84 0.00 0.00 34.83 37.86 2k06 s MET 73 CO 0.09 -0.46 0.51 0.08 -0.65 0.00 0.00 175.02 174.60 2k06 s VAL 74 N -3.27 4.95 -0.37 10.11 1.01 -1.23 -3.61 120.40 127.98 2k06 s VAL 74 Ca 0.07 0.55 -0.24 0.00 0.00 0.00 0.00 61.98 62.37 2k06 s VAL 74 Cb -0.01 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2k06 s VAL 74 CO -0.05 0.09 0.82 -0.04 0.00 0.00 0.00 175.10 175.92 2k06 s MET 75 N -2.39 3.76 0.18 2.72 -1.94 -1.26 -4.79 119.30 115.58 2k06 s MET 75 Ca 0.42 0.36 -0.04 0.00 -1.71 0.00 0.00 55.69 54.72 2k06 s MET 75 Cb -0.13 -3.81 -0.03 0.00 2.01 0.00 0.00 34.83 32.87 2k06 s MET 75 CO 0.20 -0.89 0.19 0.54 -0.01 0.00 0.00 175.02 175.05 2k06 s ASN 76 N 1.87 0.13 0.51 3.03 4.22 -1.26 -4.99 114.94 118.45 2k06 s ASN 76 Ca 0.33 -1.17 0.27 0.00 -2.14 0.00 0.00 52.86 50.15 2k06 s ASN 76 Cb -0.13 0.40 1.36 0.00 1.28 0.00 0.00 41.25 44.16 2k06 s ASN 76 CO 0.18 -0.87 2.02 0.44 -2.04 0.00 0.00 177.10 176.83 2k06 h ASP 77 N 2.61 0.00 0.00 3.54 3.32 -1.97 -0.13 116.42 123.79 2k06 h ASP 77 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2k06 h ASP 77 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2k06 h ASP 77 CO 0.51 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 178.17 2k06 n ALA 78 N -2.26 -0.11 -0.05 3.45 0.00 -1.26 -2.95 120.51 117.34 2k06 n ALA 78 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 2k06 n ALA 78 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 2k06 n ALA 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k06 h SER 79 N 0.00 -0.15 -0.90 0.00 4.64 -1.90 -0.89 113.55 114.36 2k06 h SER 79 Ca 0.00 0.06 0.25 0.00 -0.47 0.00 0.00 61.79 61.63 2k06 h SER 79 Cb 0.00 0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 62.05 2k06 h SER 79 CO 0.00 -0.05 0.19 -0.25 -0.87 0.00 0.00 176.83 175.85 2k06 h TRP 80 N 0.03 0.26 -0.03 4.77 7.01 -1.18 0.97 115.95 127.79 2k06 h TRP 80 Ca 0.10 0.05 -0.16 0.00 2.11 0.00 0.00 58.89 61.00 2k06 h TRP 80 Cb 0.15 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 2k06 h TRP 80 CO -0.21 -0.28 -0.70 0.45 -2.79 0.00 0.00 178.44 174.91 2k06 h HIS 81 N 0.14 0.22 -0.34 2.65 3.86 -1.19 -3.18 115.15 117.31 2k06 h HIS 81 Ca 0.57 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.67 2k06 h HIS 81 Cb 1.19 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 2k06 h HIS 81 CO -0.32 0.81 0.14 1.25 0.86 0.00 0.00 177.93 180.67 2k06 h LEU 82 N 0.11 0.46 -0.57 2.43 5.85 0.22 -1.83 115.31 121.98 2k06 h LEU 82 Ca -0.02 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.62 2k06 h LEU 82 Cb 1.24 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 2k06 h LEU 82 CO 0.10 0.49 0.25 0.58 -0.34 0.00 0.00 178.44 179.52 2k06 h VAL 83 N 0.40 0.86 -0.53 1.05 2.07 -0.96 -0.67 116.25 118.46 2k06 h VAL 83 Ca 0.11 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2k06 h VAL 83 Cb 0.17 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2k06 h VAL 83 CO -0.01 0.08 0.17 -0.09 0.02 0.00 0.00 177.57 177.75 2k06 h ARG 84 N 0.46 0.78 -0.81 1.57 2.43 -1.48 -2.28 114.38 115.04 2k06 h ARG 84 Ca 0.27 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2k06 h ARG 84 Cb 0.27 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2k06 h ARG 84 CO -0.24 0.67 0.45 0.77 -1.51 0.00 0.00 179.97 180.11 2k06 h SER 85 N 0.76 1.01 -1.91 -3.80 0.02 -0.28 -3.42 113.55 105.93 2k06 h SER 85 Ca 0.18 -0.09 -0.65 0.00 -0.84 0.00 0.00 61.79 60.39 2k06 h SER 85 Cb 0.21 -0.26 0.04 0.00 0.14 0.00 0.00 62.40 62.54 2k06 h SER 85 CO -0.01 0.81 0.77 0.52 -1.14 0.00 0.00 176.83 177.79 2k06 n VAL 86 N -4.34 0.18 -1.70 2.27 0.31 -0.80 -4.92 118.33 109.32 2k06 n VAL 86 Ca 0.08 -0.03 -0.32 0.00 -0.01 0.00 0.00 64.34 64.06 2k06 n VAL 86 Cb 0.10 -1.33 0.05 0.00 -0.91 0.00 0.00 33.84 31.75 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 1.92 2.81 -1.38 5.55 0.04 -1.26 -3.64 135.00 139.04 2k06 s PRO 87 Ca 0.87 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 2k06 s PRO 87 Cb -0.84 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 31.75 2k06 s PRO 87 CO 0.49 -1.22 0.63 0.54 0.04 0.00 0.00 177.00 177.47 2k06 n ARG 88 N -2.62 -4.84 -4.45 4.56 1.74 -1.26 -4.77 116.66 105.03 2k06 n ARG 88 Ca 0.09 0.82 -0.25 0.00 -0.77 0.00 0.00 57.85 57.74 2k06 n ARG 88 Cb 0.52 -5.51 -0.17 0.00 -1.02 0.00 0.00 32.46 26.29 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 -3.14 1.09 -0.04 1.55 0.11 -1.24 -3.13 120.40 115.59 2k06 s VAL 89 Ca 0.31 -0.43 -0.21 0.00 -2.93 0.00 0.00 61.98 58.71 2k06 s VAL 89 Cb -0.14 -1.02 -0.16 0.00 -1.53 0.00 0.00 36.38 33.54 2k06 s VAL 89 CO 0.38 0.35 0.92 0.24 -3.33 0.00 0.00 175.10 173.66 2k06 h MET 90 N 7.18 -0.24 0.00 1.54 2.86 -0.17 -3.47 114.93 122.63 2k06 h MET 90 Ca -0.31 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2k06 h MET 90 Cb 1.18 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2k06 h MET 90 CO 0.46 0.16 0.00 0.41 1.06 0.00 0.00 176.91 179.01 2k06 n GLY 91 N 0.46 -0.53 3.86 8.32 0.00 -1.11 -5.00 105.19 111.19 2k06 n GLY 91 Ca -0.08 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 3.16 -0.20 1.61 0.08 -1.26 -1.69 117.98 115.68 2k06 s PHE 92 Ca 0.00 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2k06 s PHE 92 Cb 0.00 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.98 2k06 s PHE 92 CO 0.00 0.46 -0.16 0.42 -0.10 0.00 0.00 175.22 175.85 2k06 s ILE 93 N -2.12 2.37 0.00 0.64 -1.09 -1.18 -4.83 121.20 114.99 2k06 s ILE 93 Ca 0.34 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 2k06 s ILE 93 Cb -0.08 -2.05 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 2k06 s ILE 93 CO 0.26 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 2k06 n GLY 94 N 4.65 2.04 0.20 6.18 0.00 -1.26 -4.45 105.19 112.54 2k06 n GLY 94 Ca -0.20 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 0.51 -2.15 -0.02 0.00 -1.89 -3.45 103.07 96.08 2k06 h GLY 95 Ca 0.00 -0.64 -0.38 0.00 0.00 0.00 0.00 47.33 46.32 2k06 h GLY 95 CO 0.00 0.57 -0.50 -1.08 0.00 0.00 0.00 176.54 175.53 2k06 s THR 96 N -3.85 0.00 -0.47 4.70 -1.32 -1.25 -5.02 115.64 108.42 2k06 s THR 96 Ca -0.06 -1.95 0.08 0.00 -1.21 0.00 0.00 61.69 58.54 2k06 s THR 96 Cb 0.11 -2.51 0.52 0.00 -1.51 0.00 0.00 72.50 69.12 2k06 s THR 96 CO 0.83 0.00 1.36 -1.54 -2.21 0.00 0.00 174.62 173.06 2k06 n SER 97 N -1.12 4.01 0.00 8.08 3.41 -1.26 -3.71 113.62 123.03 2k06 n SER 97 Ca 0.05 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 2k06 n SER 97 Cb 0.63 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k06 n SER 97 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2k06 n ASP 98 N 0.25 0.28 -2.84 4.04 5.68 -1.26 -4.86 116.55 117.84 2k06 n ASP 98 Ca 0.21 -1.13 0.03 0.00 -0.50 0.00 0.00 54.79 53.40 2k06 n ASP 98 Cb 0.93 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.92 2k06 n ASP 98 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2k06 s ARG 99 N -0.13 0.12 -0.06 0.11 0.52 -1.24 -5.13 118.95 113.14 2k06 s ARG 99 Ca 0.00 -0.01 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 2k06 s ARG 99 Cb 0.00 0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.44 2k06 s ARG 99 CO 0.00 -0.19 1.57 -1.25 0.02 0.00 0.00 175.30 175.45 2k06 s PRO 100 N 2.22 4.20 0.57 3.54 0.04 -1.26 -3.80 135.00 140.51 2k06 s PRO 100 Ca 0.18 2.09 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 2k06 s PRO 100 Cb 0.02 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2k06 s PRO 100 CO -0.17 -0.79 1.25 0.00 0.04 0.00 0.00 177.00 177.32 2k06 s ALA 101 N 3.72 2.66 0.61 8.56 0.00 -1.26 -4.86 121.76 131.18 2k06 s ALA 101 Ca 0.70 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 53.59 2k06 s ALA 101 Cb -0.32 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 2k06 s ALA 101 CO 0.27 -1.18 1.11 -1.25 0.00 0.00 0.00 175.76 174.72 2k06 s PRO 102 N -3.14 3.03 0.20 0.00 0.04 -1.26 -4.85 135.00 129.01 2k06 s PRO 102 Ca 0.75 1.45 0.09 0.00 0.04 0.00 0.00 61.00 63.32 2k06 s PRO 102 Cb -0.33 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2k06 s PRO 102 CO 0.37 -1.08 -0.17 0.96 0.04 0.00 0.00 177.00 177.12 2k06 s ILE 103 N -2.15 1.85 0.45 0.56 -4.36 -1.23 -5.06 121.20 111.27 2k06 s ILE 103 Ca 0.69 -2.10 -0.22 0.00 -0.26 0.00 0.00 60.65 58.76 2k06 s ILE 103 Cb -0.21 -1.98 -0.09 0.00 1.25 0.00 0.00 42.46 41.43 2k06 s ILE 103 CO 0.36 -0.45 1.03 -0.44 0.24 0.00 0.00 174.94 175.68 2k06 s SER 104 N -3.05 6.54 0.26 4.36 0.01 -1.26 -4.46 113.70 116.10 2k06 s SER 104 Ca 0.20 1.94 -0.03 0.00 1.31 0.00 0.00 55.95 59.37 2k06 s SER 104 Cb -0.03 -2.57 0.41 0.00 0.21 0.00 0.00 66.02 64.04 2k06 s SER 104 CO 0.08 -0.64 1.86 0.44 0.41 0.00 0.00 173.24 175.38 2k06 h ASP 105 N 1.90 0.92 -0.98 2.44 3.32 -2.00 -0.87 116.42 121.16 2k06 h ASP 105 Ca -0.49 0.02 0.05 0.00 0.02 0.00 0.00 57.03 56.63 2k06 h ASP 105 Cb 1.21 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 2k06 h ASP 105 CO 0.60 0.56 0.63 0.50 -1.72 0.00 0.00 179.24 179.82 2k06 h LYS 106 N 1.04 1.16 -0.70 3.56 3.64 -2.00 -1.62 116.57 121.65 2k06 h LYS 106 Ca 0.42 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.81 2k06 h LYS 106 Cb 0.25 -0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 2k06 h LYS 106 CO -0.20 0.77 0.38 0.93 -2.27 0.00 0.00 179.45 179.06 2k06 h GLU 107 N 1.20 0.66 -0.85 1.90 5.08 -1.53 0.49 114.58 121.54 2k06 h GLU 107 Ca 0.40 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.79 2k06 h GLU 107 Cb 0.06 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2k06 h GLU 107 CO -0.14 0.44 0.55 0.28 -1.00 0.00 0.00 179.01 179.14 2k06 h VAL 108 N 0.68 1.04 -0.05 3.13 2.07 -1.14 0.19 116.25 122.18 2k06 h VAL 108 Ca 0.33 -0.32 -0.18 0.00 0.82 0.00 0.00 66.70 67.35 2k06 h VAL 108 Cb 0.25 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2k06 h VAL 108 CO -0.21 0.17 -0.74 0.44 0.02 0.00 0.00 177.57 177.24 2k06 h ASP 109 N 0.93 0.39 -0.36 0.57 3.32 -0.86 -3.19 116.42 117.22 2k06 h ASP 109 Ca 0.37 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 2k06 h ASP 109 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2k06 h ASP 109 CO -0.13 1.00 -0.08 0.00 -1.72 0.00 0.00 179.24 178.30 2k06 h ALA 110 N 0.99 0.49 -0.49 3.45 0.00 0.40 -2.66 119.26 121.44 2k06 h ALA 110 Ca -0.03 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.68 2k06 h ALA 110 Cb 1.32 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 2k06 h ALA 110 CO 0.12 0.34 -0.13 0.82 0.00 0.00 0.00 179.25 180.40 2k06 h ILE 111 N 0.48 0.50 -1.00 0.00 2.04 -1.01 0.15 117.51 118.67 2k06 h ILE 111 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2k06 h ILE 111 Cb 0.59 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 2k06 h ILE 111 CO 0.03 0.00 0.65 0.24 0.00 0.00 0.00 178.15 179.08 2k06 h MET 112 N -0.01 1.32 -0.93 2.37 2.86 -1.54 -1.86 114.93 117.14 2k06 h MET 112 Ca 0.24 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2k06 h MET 112 Cb 0.37 -0.29 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 2k06 h MET 112 CO -0.51 0.88 0.62 -0.91 1.06 0.00 0.00 176.91 178.04 2k06 h ASN 113 N 1.35 1.07 -0.49 1.22 2.35 -0.42 -2.28 115.58 118.37 2k06 h ASN 113 Ca 0.36 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 56.14 2k06 h ASN 113 Cb -0.14 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 37.91 2k06 h ASN 113 CO -0.08 0.77 0.21 0.03 -1.65 0.00 0.00 177.43 176.71 2k06 h ARG 114 N 1.26 0.39 -0.82 0.81 3.08 -0.21 -1.76 114.38 117.13 2k06 h ARG 114 Ca 0.34 -0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.55 2k06 h ARG 114 Cb -0.14 -0.09 -0.15 0.00 0.08 0.00 0.00 29.97 29.67 2k06 h ARG 114 CO -0.08 0.26 -0.09 1.25 -1.07 0.00 0.00 179.97 180.25 2k06 h LEU 115 N 0.40 -0.56 -1.66 3.04 5.85 -1.21 1.72 115.31 122.90 2k06 h LEU 115 Ca 0.23 0.23 -0.04 0.00 0.84 0.00 0.00 57.88 59.14 2k06 h LEU 115 Cb 0.20 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2k06 h LEU 115 CO -0.20 -0.25 -0.18 -0.61 -0.34 0.00 0.00 178.44 176.86 2k06 h GLN 116 N 0.04 0.00 -6.45 1.25 4.15 -1.35 -3.42 115.11 109.33 2k06 h GLN 116 Ca 0.43 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 59.32 2k06 h GLN 116 Cb 0.75 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 2k06 h GLN 116 CO -0.79 0.18 0.10 -1.14 -1.93 0.00 0.00 178.83 175.25 2k06 s GLN 117 N -4.10 4.38 0.11 1.69 2.00 0.58 -5.07 119.66 119.26 2k06 s GLN 117 Ca -0.02 0.96 0.08 0.00 -2.00 0.00 0.00 55.36 54.38 2k06 s GLN 117 Cb 0.13 -3.16 -0.04 0.00 0.80 0.00 0.00 33.01 30.74 2k06 s GLN 117 CO 0.62 0.55 -0.20 0.08 -0.50 0.00 0.00 175.29 175.84 2k06 s VAL 118 N -1.23 1.68 0.36 1.34 1.01 -1.26 -4.89 120.40 117.40 2k06 s VAL 118 Ca 0.36 -1.61 0.10 0.00 0.00 0.00 0.00 61.98 60.83 2k06 s VAL 118 Cb -0.20 -1.58 0.33 0.00 0.00 0.00 0.00 36.38 34.93 2k06 s VAL 118 CO 0.23 -0.14 1.86 1.23 0.00 0.00 0.00 175.10 178.28 2k06 h GLY 119 N 3.90 1.20 -6.26 4.51 0.00 -1.97 -3.36 103.07 101.08 2k06 h GLY 119 Ca -0.45 -0.28 -0.23 0.00 0.00 0.00 0.00 47.33 46.37 2k06 h GLY 119 CO 0.42 0.06 -0.58 -0.35 0.00 0.00 0.00 176.54 176.09 2k06 s ASP 120 N -5.71 0.29 0.14 0.19 2.15 -1.26 -5.03 116.67 107.43 2k06 s ASP 120 Ca -0.10 -0.94 -0.31 0.00 0.43 0.00 0.00 52.55 51.63 2k06 s ASP 120 Cb 0.22 1.07 -0.07 0.00 -0.30 0.00 0.00 42.92 43.84 2k06 s ASP 120 CO 0.79 -0.28 1.56 0.11 -0.17 0.00 0.00 175.17 177.18 2k06 h LYS 121 N 7.48 -0.38 -6.98 4.34 1.79 -2.00 -3.40 116.57 117.42 2k06 h LYS 121 Ca -0.00 0.03 -0.51 0.00 -2.18 0.00 0.00 60.65 57.99 2k06 h LYS 121 Cb 1.11 0.09 0.06 0.00 -1.58 0.00 0.00 32.23 31.90 2k06 h LYS 121 CO 0.20 -0.26 0.49 -1.25 -1.08 0.00 0.00 179.45 177.56 2k06 s PRO 122 N -5.73 3.85 0.00 3.15 0.04 -1.26 -5.12 135.00 129.93 2k06 s PRO 122 Ca -0.15 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2k06 s PRO 122 Cb 0.09 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2k06 s PRO 122 CO 0.63 -0.48 0.00 -2.13 0.04 0.00 0.00 177.00 175.06