#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k06 n SER 2 N 0.00 0.62 -0.30 7.83 3.41 -1.26 -2.71 113.62 121.21 2k06 n SER 2 Ca 0.00 0.68 0.15 0.00 -0.26 0.00 0.00 58.87 59.45 2k06 n SER 2 Cb 0.00 -0.80 0.41 0.00 -0.26 0.00 0.00 64.21 63.56 2k06 n SER 2 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2k06 h GLU 3 N 0.00 0.59 -1.55 4.33 4.81 -2.14 -3.43 114.58 117.19 2k06 h GLU 3 Ca 0.00 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2k06 h GLU 3 Cb 0.27 -0.13 -0.24 0.00 0.63 0.00 0.00 28.75 29.28 2k06 h GLU 3 CO 0.00 0.39 0.54 0.00 -0.73 0.00 0.00 179.01 179.21 2k06 s ALA 4 N -5.65 -1.94 0.49 2.92 0.00 -1.10 -5.16 121.76 111.32 2k06 s ALA 4 Ca -0.10 1.63 -0.21 0.00 0.00 0.00 0.00 51.96 53.28 2k06 s ALA 4 Cb 0.24 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.46 2k06 s ALA 4 CO 0.79 -0.30 1.15 -1.25 0.00 0.00 0.00 175.76 176.15 2k06 s PRO 5 N -0.93 3.60 -0.09 0.00 0.04 -1.26 -4.90 135.00 131.46 2k06 s PRO 5 Ca -0.01 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 2k06 s PRO 5 Cb -0.01 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 2k06 s PRO 5 CO 0.00 -0.66 0.01 0.15 0.04 0.00 0.00 177.00 176.54 2k06 s LYS 6 N -2.95 3.03 -0.07 4.56 1.02 -1.26 -5.10 119.74 118.97 2k06 s LYS 6 Ca 0.67 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.30 2k06 s LYS 6 Cb -0.26 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 2k06 s LYS 6 CO 0.31 0.70 -0.12 0.15 -0.92 0.00 0.00 175.35 175.47 2k06 s LYS 7 N -0.87 2.71 0.14 1.68 1.02 -1.26 -4.65 119.74 118.52 2k06 s LYS 7 Ca 0.13 -0.66 0.06 0.00 0.02 0.00 0.00 55.97 55.52 2k06 s LYS 7 Cb -0.11 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2k06 s LYS 7 CO 0.02 0.56 -0.14 1.03 -0.92 0.00 0.00 175.35 175.91 2k06 s ARG 8 N -0.55 1.10 -0.14 1.68 0.52 -1.21 -4.93 118.95 115.41 2k06 s ARG 8 Ca 0.08 -1.35 -0.18 0.00 -0.52 0.00 0.00 55.73 53.76 2k06 s ARG 8 Cb -0.12 -0.93 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 2k06 s ARG 8 CO 0.02 0.17 0.50 -1.58 0.02 0.00 0.00 175.30 174.42 2k06 s TRP 9 N -2.47 3.47 0.13 -0.53 0.52 -1.26 -0.72 118.94 118.08 2k06 s TRP 9 Ca 0.13 0.87 0.11 0.00 0.02 0.00 0.00 56.10 57.22 2k06 s TRP 9 Cb -0.03 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 2k06 s TRP 9 CO 0.04 0.08 -0.26 0.71 0.02 0.00 0.00 176.95 177.53 2k06 s TYR 10 N 0.96 2.22 -0.14 -1.98 2.02 -0.40 -3.95 117.35 116.07 2k06 s TYR 10 Ca 0.26 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.51 2k06 s TYR 10 Cb -0.15 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2k06 s TYR 10 CO 0.10 0.32 0.09 0.08 -1.57 0.00 0.00 175.55 174.58 2k06 s VAL 11 N -1.09 5.08 -0.16 0.71 1.01 -1.26 -0.84 120.40 123.85 2k06 s VAL 11 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 2k06 s VAL 11 Cb -0.10 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2k06 s VAL 11 CO 0.06 0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 174.93 2k06 s VAL 12 N -0.45 3.26 -0.09 2.92 1.01 0.76 -2.83 120.40 124.97 2k06 s VAL 12 Ca 0.11 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 2k06 s VAL 12 Cb -0.12 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2k06 s VAL 12 CO 0.02 0.49 0.54 -1.58 0.00 0.00 0.00 175.10 174.57 2k06 s GLN 13 N 0.72 4.35 0.04 2.72 2.00 -0.89 -1.89 119.66 126.71 2k06 s GLN 13 Ca -0.04 0.58 -0.04 0.00 -2.00 0.00 0.00 55.36 53.85 2k06 s GLN 13 Cb -0.15 -3.43 -0.02 0.00 0.80 0.00 0.00 33.01 30.22 2k06 s GLN 13 CO 0.02 0.16 0.06 0.00 -0.50 0.00 0.00 175.29 175.03 2k06 s ALA 14 N 0.56 0.04 0.60 1.58 0.00 0.77 0.33 121.76 125.64 2k06 s ALA 14 Ca 0.29 -0.64 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 2k06 s ALA 14 Cb -0.16 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2k06 s ALA 14 CO 0.13 -0.30 0.96 1.19 0.00 0.00 0.00 175.76 177.74 2k06 n PHE 15 N 0.81 0.82 -2.16 0.00 3.72 -1.22 -3.98 117.46 115.45 2k06 n PHE 15 Ca -0.19 0.43 -0.37 0.00 -0.05 0.00 0.00 57.45 57.28 2k06 n PHE 15 Cb 0.58 -2.14 0.01 0.00 -0.94 0.00 0.00 39.48 36.99 2k06 n PHE 15 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k06 s SER 16 N -1.26 5.81 0.00 4.37 0.15 -1.26 -2.41 113.70 119.10 2k06 s SER 16 Ca 0.76 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.76 2k06 s SER 16 Cb -0.41 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.29 2k06 s SER 16 CO 0.47 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2k06 n GLY 17 N 0.43 2.48 0.66 9.45 0.00 -1.26 -4.64 105.19 112.30 2k06 n GLY 17 Ca 0.10 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 0.37 -0.34 1.61 3.72 -1.11 -4.56 117.46 117.16 2k06 n PHE 18 Ca 0.00 -0.36 0.05 0.00 -0.05 0.00 0.00 57.45 57.10 2k06 n PHE 18 Cb 0.00 -0.02 0.24 0.00 -0.94 0.00 0.00 39.48 38.76 2k06 n PHE 18 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2k06 h GLU 19 N 2.34 1.00 0.10 -1.08 4.11 -1.74 0.91 114.58 120.21 2k06 h GLU 19 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 2k06 h GLU 19 Cb 0.69 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k06 h GLU 19 CO 0.00 0.66 -0.05 0.78 0.07 0.00 0.00 179.01 180.47 2k06 h GLY 20 N 1.03 -0.14 0.86 1.06 0.00 -1.90 -3.16 103.07 100.81 2k06 h GLY 20 Ca 0.44 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.88 2k06 h GLY 20 CO -0.20 -0.05 0.62 -0.09 0.00 0.00 0.00 176.54 176.82 2k06 h ARG 21 N -0.90 1.09 -0.96 4.80 2.43 -1.78 -1.26 114.38 117.81 2k06 h ARG 21 Ca -0.01 -0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.24 2k06 h ARG 21 Cb 0.55 -0.25 -0.09 0.00 -0.42 0.00 0.00 29.97 29.76 2k06 h ARG 21 CO 0.02 0.72 0.57 0.28 -1.51 0.00 0.00 179.97 180.06 2k06 h VAL 22 N 1.13 0.81 -0.75 0.20 2.07 0.79 0.69 116.25 121.19 2k06 h VAL 22 Ca 0.40 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 2k06 h VAL 22 Cb 0.12 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 2k06 h VAL 22 CO -0.14 0.15 0.25 0.00 0.02 0.00 0.00 177.57 177.85 2k06 h ALA 23 N 1.57 0.98 -0.47 1.67 0.00 -1.20 -2.15 119.26 119.66 2k06 h ALA 23 Ca 0.51 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2k06 h ALA 23 Cb 0.65 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2k06 h ALA 23 CO -0.32 0.64 0.12 1.15 0.00 0.00 0.00 179.25 180.84 2k06 h THR 24 N 1.10 1.23 -0.85 0.00 2.02 -0.77 -2.63 112.91 113.01 2k06 h THR 24 Ca 0.24 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.65 2k06 h THR 24 Cb 0.28 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 2k06 h THR 24 CO -0.01 0.29 0.55 0.28 0.37 0.00 0.00 175.52 177.00 2k06 h SER 25 N 0.63 0.90 -0.96 4.18 0.02 -0.85 -1.36 113.55 116.12 2k06 h SER 25 Ca 0.15 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2k06 h SER 25 Cb 0.31 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 2k06 h SER 25 CO 0.00 0.61 0.63 0.25 -1.14 0.00 0.00 176.83 177.18 2k06 h LEU 26 N 1.05 1.06 -2.31 5.07 5.85 -1.07 0.27 115.31 125.23 2k06 h LEU 26 Ca 0.35 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.08 2k06 h LEU 26 Cb 0.04 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 2k06 h LEU 26 CO -0.13 0.74 0.10 -0.09 -0.34 0.00 0.00 178.44 178.72 2k06 h ARG 27 N 1.23 0.00 -0.11 1.25 2.43 -0.90 -0.78 114.38 117.50 2k06 h ARG 27 Ca 0.37 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 2k06 h ARG 27 Cb -0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2k06 h ARG 27 CO -0.10 0.00 -0.06 0.93 -1.51 0.00 0.00 179.97 179.22 2k06 h GLU 28 N 0.00 0.23 -0.33 0.20 5.08 -0.79 -1.09 114.58 117.88 2k06 h GLU 28 Ca 0.04 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2k06 h GLU 28 Cb 0.23 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k06 h GLU 28 CO -0.00 0.60 -0.13 0.45 -1.00 0.00 0.00 179.01 178.92 2k06 h HIS 29 N -0.13 0.76 -0.06 4.33 3.86 -1.27 -1.50 115.15 121.13 2k06 h HIS 29 Ca 0.02 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.07 2k06 h HIS 29 Cb 0.53 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 2k06 h HIS 29 CO 0.07 0.86 -0.05 0.82 0.86 0.00 0.00 177.93 180.50 2k06 h ILE 30 N 0.43 0.86 -0.83 2.45 2.04 -1.18 0.79 117.51 122.07 2k06 h ILE 30 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2k06 h ILE 30 Cb 0.65 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2k06 h ILE 30 CO 0.04 0.00 0.53 0.50 0.00 0.00 0.00 178.15 179.22 2k06 h LYS 31 N -0.05 1.12 0.05 2.37 3.64 -1.15 1.95 116.57 124.49 2k06 h LYS 31 Ca 0.04 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2k06 h LYS 31 Cb 0.12 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2k06 h LYS 31 CO -0.10 0.77 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.76 2k06 h LEU 32 N 1.14 -0.05 0.00 5.20 3.38 -0.67 -2.91 115.31 121.39 2k06 h LEU 32 Ca 0.30 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k06 h LEU 32 Cb -0.08 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2k06 h LEU 32 CO -0.06 0.40 0.00 1.41 0.09 0.00 0.00 178.44 180.28 2k06 n HIS 33 N -4.90 0.00 -3.18 1.13 8.25 0.27 -4.89 115.22 111.90 2k06 n HIS 33 Ca -0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 2k06 n HIS 33 Cb 0.24 -0.34 0.06 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.34 -4.15 -0.71 0.41 5.15 0.62 -4.89 115.26 110.34 2k06 n ASN 34 Ca 0.11 -0.39 0.10 0.00 -0.60 0.00 0.00 54.58 53.80 2k06 n ASN 34 Cb 0.23 -3.66 0.31 0.00 -0.53 0.00 0.00 39.78 36.14 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 -3.49 1.93 -0.33 1.20 2.81 0.15 -4.26 117.12 115.11 2k06 n MET 35 Ca -0.06 -1.40 0.21 0.00 -1.81 0.00 0.00 57.70 54.64 2k06 n MET 35 Cb 0.56 -1.41 0.46 0.00 -0.71 0.00 0.00 33.22 32.13 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 2.73 0.45 -0.72 0.03 5.08 -1.85 0.30 114.58 120.60 2k06 h GLU 36 Ca 0.00 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2k06 h GLU 36 Cb 0.60 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 2k06 h GLU 36 CO 0.00 0.30 0.32 -0.44 -1.00 0.00 0.00 179.01 178.19 2k06 h ASP 37 N 0.47 0.37 0.11 1.42 3.32 -1.95 -2.56 116.42 117.59 2k06 h ASP 37 Ca 0.62 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.74 2k06 h ASP 37 Cb 1.41 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2k06 h ASP 37 CO -0.37 0.19 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.22 2k06 h LEU 38 N 0.52 -0.12 -9.49 1.55 3.38 -0.77 -3.43 115.31 106.95 2k06 h LEU 38 Ca 0.37 -0.44 -0.53 0.00 0.09 0.00 0.00 57.88 57.37 2k06 h LEU 38 Cb 0.48 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.27 2k06 h LEU 38 CO -0.33 0.44 0.69 -0.36 0.09 0.00 0.00 178.44 178.98 2k06 s PHE 39 N -3.64 3.23 -0.01 1.13 0.08 -0.68 -3.53 117.98 114.57 2k06 s PHE 39 Ca -0.14 1.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.93 2k06 s PHE 39 Cb 0.01 -3.60 -0.00 0.00 -0.57 0.00 0.00 43.02 38.86 2k06 s PHE 39 CO 0.56 -2.05 -0.02 0.41 -0.10 0.00 0.00 175.22 174.02 2k06 n GLY 40 N 3.44 -0.24 2.95 4.36 0.00 0.66 -4.73 105.19 111.63 2k06 n GLY 40 Ca 0.11 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2k06 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k06 s GLU 41 N -1.12 0.24 0.17 1.61 0.41 -1.25 -4.97 118.70 113.79 2k06 s GLU 41 Ca -0.01 -0.45 0.09 0.00 -0.41 0.00 0.00 54.97 54.18 2k06 s GLU 41 Cb 0.00 0.05 -0.04 0.00 -1.78 0.00 0.00 34.13 32.36 2k06 s GLU 41 CO 0.02 -0.03 -0.09 0.08 -0.49 0.00 0.00 175.26 174.75 2k06 s VAL 42 N -1.04 3.25 0.01 2.63 1.01 -1.26 -0.38 120.40 124.62 2k06 s VAL 42 Ca -0.11 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.28 2k06 s VAL 42 Cb -0.07 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2k06 s VAL 42 CO -0.01 -0.09 -0.04 -0.04 0.00 0.00 0.00 175.10 174.92 2k06 s MET 43 N -2.78 0.31 -0.31 2.72 -1.94 0.30 -4.97 119.30 112.64 2k06 s MET 43 Ca 0.25 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.89 2k06 s MET 43 Cb -0.09 -0.18 0.10 0.00 2.01 0.00 0.00 34.83 36.67 2k06 s MET 43 CO 0.15 0.04 0.08 0.08 -0.01 0.00 0.00 175.02 175.37 2k06 s VAL 44 N -0.61 1.14 -0.26 -6.03 1.01 -1.26 -1.21 120.40 113.17 2k06 s VAL 44 Ca -0.04 -1.55 0.28 0.00 0.00 0.00 0.00 61.98 60.66 2k06 s VAL 44 Cb -0.05 -1.84 0.31 0.00 0.00 0.00 0.00 36.38 34.80 2k06 s VAL 44 CO -0.00 -0.64 1.82 1.55 0.00 0.00 0.00 175.10 177.83 2k06 h PRO 45 N 8.00 0.00 0.00 2.72 0.13 -1.98 -2.88 132.00 137.99 2k06 h PRO 45 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2k06 h PRO 45 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2k06 h PRO 45 CO 0.48 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.50 2k06 n THR 46 N -2.57 1.01 -3.78 1.56 -2.24 -1.26 -4.53 114.28 102.47 2k06 n THR 46 Ca 0.02 0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 61.92 2k06 n THR 46 Cb 0.27 -1.43 -0.08 0.00 -2.10 0.00 0.00 70.33 66.99 2k06 n THR 46 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k06 s GLU 47 N -3.38 4.09 0.04 -0.78 2.12 -1.09 -4.96 118.70 114.74 2k06 s GLU 47 Ca 0.01 -0.23 -0.23 0.00 0.36 0.00 0.00 54.97 54.88 2k06 s GLU 47 Cb 0.07 -3.37 -0.16 0.00 0.26 0.00 0.00 34.13 30.94 2k06 s GLU 47 CO 0.27 0.34 1.47 1.49 -0.54 0.00 0.00 175.26 178.30 2k06 h GLU 48 N 6.51 0.10 -5.33 4.30 4.81 -1.89 -3.45 114.58 119.62 2k06 h GLU 48 Ca -0.42 -0.03 -0.39 0.00 -0.13 0.00 0.00 59.36 58.39 2k06 h GLU 48 Cb 1.16 -0.01 -0.16 0.00 0.63 0.00 0.00 28.75 30.37 2k06 h GLU 48 CO 0.74 0.37 -0.74 0.08 -0.73 0.00 0.00 179.01 178.73 2k06 s VAL 49 N -5.03 1.39 0.42 0.32 1.01 -1.26 -5.01 120.40 112.24 2k06 s VAL 49 Ca -0.14 -1.98 0.23 0.00 0.00 0.00 0.00 61.98 60.08 2k06 s VAL 49 Cb 0.04 -1.79 0.43 0.00 0.00 0.00 0.00 36.38 35.06 2k06 s VAL 49 CO 0.69 -0.59 1.73 1.62 0.00 0.00 0.00 175.10 178.55 2k06 h VAL 50 N 2.99 0.40 -3.37 2.92 3.04 -1.98 -3.39 116.25 116.86 2k06 h VAL 50 Ca -0.38 -0.10 -0.65 0.00 -1.01 0.00 0.00 66.70 64.56 2k06 h VAL 50 Cb 1.20 0.09 -0.13 0.00 -2.01 0.00 0.00 31.29 30.44 2k06 h VAL 50 CO 0.58 0.05 -0.68 -0.70 -1.01 0.00 0.00 177.57 175.81 2k06 s GLU 51 N -5.40 2.42 -0.40 4.17 2.12 -1.26 -5.09 118.70 115.26 2k06 s GLU 51 Ca -0.08 -0.91 0.04 0.00 0.36 0.00 0.00 54.97 54.38 2k06 s GLU 51 Cb 0.26 -2.46 0.11 0.00 0.26 0.00 0.00 34.13 32.30 2k06 s GLU 51 CO 0.80 0.53 0.12 0.42 -0.54 0.00 0.00 175.26 176.59 2k06 s ILE 52 N -1.32 2.25 0.56 -3.70 1.01 -1.26 -4.91 121.20 113.83 2k06 s ILE 52 Ca 0.25 -2.59 -0.21 0.00 0.00 0.00 0.00 60.65 58.10 2k06 s ILE 52 Cb -0.11 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 2k06 s ILE 52 CO 0.17 -0.68 1.32 0.54 0.00 0.00 0.00 174.94 176.29 2k06 n ARG 53 N 3.92 1.57 -0.37 2.79 1.74 -1.26 -4.87 116.66 120.18 2k06 n ARG 53 Ca 0.04 0.58 0.03 0.00 -0.77 0.00 0.00 57.85 57.73 2k06 n ARG 53 Cb 0.39 -2.53 0.18 0.00 -1.02 0.00 0.00 32.46 29.48 2k06 n ARG 53 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2k06 h GLY 54 N 1.28 1.54 0.00 -0.13 0.00 -2.03 -3.44 103.07 100.29 2k06 h GLY 54 Ca -0.50 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.35 2k06 h GLY 54 CO 0.56 0.33 0.00 0.61 0.00 0.00 0.00 176.54 178.04 2k06 n GLY 55 N -1.36 1.76 3.69 4.60 0.00 -1.26 -4.37 105.19 108.24 2k06 n GLY 55 Ca 0.16 0.53 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 2.50 0.41 1.61 -0.21 -1.26 -4.99 119.66 117.72 2k06 s GLN 56 Ca 0.00 -1.04 0.19 0.00 0.02 0.00 0.00 55.36 54.53 2k06 s GLN 56 Cb 0.00 -2.42 1.12 0.00 1.00 0.00 0.00 33.01 32.70 2k06 s GLN 56 CO 0.00 0.47 1.81 0.00 -2.12 0.00 0.00 175.29 175.45 2k06 h ARG 57 N 2.74 0.37 -4.66 2.91 3.08 -2.00 -3.38 114.38 113.44 2k06 h ARG 57 Ca -0.47 -0.02 -0.50 0.00 0.07 0.00 0.00 59.98 59.06 2k06 h ARG 57 Cb 1.20 -0.08 -0.33 0.00 0.08 0.00 0.00 29.97 30.84 2k06 h ARG 57 CO 0.59 0.25 -0.81 0.50 -1.07 0.00 0.00 179.97 179.42 2k06 s ARG 58 N -5.44 1.51 -0.16 0.04 3.52 -1.26 -5.13 118.95 112.04 2k06 s ARG 58 Ca -0.08 -0.41 -0.08 0.00 -0.13 0.00 0.00 55.73 55.03 2k06 s ARG 58 Cb 0.24 -1.29 -0.04 0.00 -1.56 0.00 0.00 34.95 32.29 2k06 s ARG 58 CO 0.79 0.08 0.13 0.15 -0.81 0.00 0.00 175.30 175.64 2k06 s LYS 59 N 0.47 3.80 0.57 5.12 1.02 -1.26 -4.96 119.74 124.49 2k06 s LYS 59 Ca -0.10 -0.19 0.32 0.00 0.02 0.00 0.00 55.97 56.02 2k06 s LYS 59 Cb -0.13 -3.28 1.73 0.00 -0.52 0.00 0.00 37.83 35.62 2k06 s LYS 59 CO 0.03 0.53 2.17 0.77 -0.92 0.00 0.00 175.35 177.93 2k06 h SER 60 N 5.85 0.00 -3.20 2.83 0.02 -2.00 -3.43 113.55 113.62 2k06 h SER 60 Ca -0.48 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 59.90 2k06 h SER 60 Cb 1.19 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.88 2k06 h SER 60 CO 0.67 0.06 -0.03 -0.62 -1.14 0.00 0.00 176.83 175.76 2k06 n GLU 61 N -3.54 0.91 -4.19 3.45 1.02 -1.26 -5.00 120.64 112.02 2k06 n GLU 61 Ca -0.02 0.34 -0.18 0.00 -0.02 0.00 0.00 57.16 57.28 2k06 n GLU 61 Cb 0.17 -1.97 -0.12 0.00 -0.02 0.00 0.00 31.44 29.50 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 -2.30 0.87 -0.37 3.49 0.52 -1.26 -5.11 118.95 114.80 2k06 s ARG 62 Ca 0.70 -1.03 -0.22 0.00 -0.52 0.00 0.00 55.73 54.66 2k06 s ARG 62 Cb -0.47 -0.86 0.01 0.00 0.52 0.00 0.00 34.95 34.14 2k06 s ARG 62 CO 0.52 0.19 0.72 0.15 0.02 0.00 0.00 175.30 176.90 2k06 s LYS 63 N -1.95 3.69 0.20 3.54 1.02 -1.26 -4.92 119.74 120.05 2k06 s LYS 63 Ca 0.01 0.16 -0.09 0.00 0.02 0.00 0.00 55.97 56.07 2k06 s LYS 63 Cb -0.09 -3.82 0.12 0.00 -0.52 0.00 0.00 37.83 33.52 2k06 s LYS 63 CO 0.02 -0.83 1.74 0.74 -0.92 0.00 0.00 175.35 176.11 2k06 h PHE 64 N 8.52 1.14 -2.48 3.18 0.04 -1.97 -3.33 116.94 122.04 2k06 h PHE 64 Ca -0.25 -0.11 -0.60 0.00 2.80 0.00 0.00 57.97 59.81 2k06 h PHE 64 Cb 1.10 -0.33 -0.40 0.00 2.20 0.00 0.00 35.95 38.51 2k06 h PHE 64 CO 0.77 0.90 -0.79 1.97 -0.60 0.00 0.00 178.31 180.56 2k06 n PHE 65 N -4.30 1.49 -2.27 -0.55 1.16 -1.26 -5.10 117.46 106.63 2k06 n PHE 65 Ca 0.06 -3.86 -0.38 0.00 -1.87 0.00 0.00 57.45 51.40 2k06 n PHE 65 Cb 0.21 -0.31 -0.02 0.00 -1.61 0.00 0.00 39.48 37.75 2k06 n PHE 65 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2k06 s PRO 66 N -1.22 3.97 0.00 3.97 0.04 -1.25 -3.34 135.00 137.16 2k06 s PRO 66 Ca 0.32 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2k06 s PRO 66 Cb 0.06 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2k06 s PRO 66 CO -0.13 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2k06 n GLY 67 N 0.58 0.49 3.20 0.56 0.00 -1.26 -4.72 105.19 104.04 2k06 n GLY 67 Ca 0.05 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 2.73 0.04 1.61 2.02 -1.21 -0.16 117.35 120.37 2k06 s TYR 68 Ca 0.00 -1.29 0.04 0.00 -0.37 0.00 0.00 57.07 55.45 2k06 s TYR 68 Cb 0.00 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2k06 s TYR 68 CO 0.00 -0.60 -0.12 0.08 -1.57 0.00 0.00 175.55 173.35 2k06 s VAL 69 N 0.91 0.90 -0.17 0.71 1.01 -0.79 -4.62 120.40 118.35 2k06 s VAL 69 Ca -0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2k06 s VAL 69 Cb -0.15 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2k06 s VAL 69 CO -0.03 -0.10 0.00 -0.76 0.00 0.00 0.00 175.10 174.22 2k06 s LEU 70 N -1.18 3.48 -0.05 3.92 1.02 -0.35 -0.17 118.68 125.35 2k06 s LEU 70 Ca -0.01 -0.04 -0.00 0.00 0.02 0.00 0.00 54.13 54.09 2k06 s LEU 70 Cb -0.08 -1.86 0.03 0.00 0.02 0.00 0.00 46.19 44.30 2k06 s LEU 70 CO 0.01 0.17 0.00 -0.69 0.02 0.00 0.00 176.35 175.87 2k06 s VAL 71 N 0.34 0.28 -0.05 -1.59 1.01 -0.02 0.11 120.40 120.48 2k06 s VAL 71 Ca -0.01 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2k06 s VAL 71 Cb -0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 2k06 s VAL 71 CO 0.02 0.21 0.95 -1.58 0.00 0.00 0.00 175.10 174.69 2k06 s GLN 72 N 1.51 4.49 -0.07 2.72 0.74 0.49 -1.28 119.66 128.27 2k06 s GLN 72 Ca -0.02 1.33 -0.32 0.00 0.05 0.00 0.00 55.36 56.40 2k06 s GLN 72 Cb -0.13 -3.49 0.12 0.00 1.10 0.00 0.00 33.01 30.61 2k06 s GLN 72 CO -0.03 -0.13 1.19 1.41 -0.55 0.00 0.00 175.29 177.18 2k06 s MET 73 N 1.33 0.48 0.15 1.67 1.75 0.10 -0.24 119.30 124.53 2k06 s MET 73 Ca 0.49 -0.23 -0.17 0.00 -1.25 0.00 0.00 55.69 54.52 2k06 s MET 73 Cb -0.20 0.19 -0.07 0.00 2.84 0.00 0.00 34.83 37.59 2k06 s MET 73 CO 0.23 -0.21 0.61 0.54 -0.65 0.00 0.00 175.02 175.54 2k06 s VAL 74 N -2.57 4.73 -0.38 10.11 0.11 -1.23 -3.30 120.40 127.87 2k06 s VAL 74 Ca 0.11 1.09 -0.27 0.00 -2.93 0.00 0.00 61.98 59.98 2k06 s VAL 74 Cb 0.01 -3.83 0.02 0.00 -1.53 0.00 0.00 36.38 31.06 2k06 s VAL 74 CO -0.04 0.32 0.98 -0.32 -3.33 0.00 0.00 175.10 172.71 2k06 s MET 75 N -1.71 3.84 0.19 1.54 1.75 -1.26 -4.86 119.30 118.79 2k06 s MET 75 Ca 0.37 0.63 -0.03 0.00 -1.25 0.00 0.00 55.69 55.41 2k06 s MET 75 Cb -0.17 -3.81 -0.03 0.00 2.84 0.00 0.00 34.83 33.65 2k06 s MET 75 CO 0.20 -1.02 0.18 0.54 -0.65 0.00 0.00 175.02 174.27 2k06 s ASN 76 N 1.95 0.13 0.35 1.11 2.20 -1.26 -5.03 114.94 114.39 2k06 s ASN 76 Ca 0.41 -1.26 0.12 0.00 -0.94 0.00 0.00 52.86 51.18 2k06 s ASN 76 Cb -0.11 0.40 0.63 0.00 -2.00 0.00 0.00 41.25 40.16 2k06 s ASN 76 CO 0.20 -0.87 1.77 0.44 -2.94 0.00 0.00 177.10 175.71 2k06 h ASP 77 N 2.60 0.01 0.00 3.54 3.32 -1.98 -1.59 116.42 122.33 2k06 h ASP 77 Ca -0.34 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2k06 h ASP 77 Cb 1.24 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2k06 h ASP 77 CO 0.51 0.44 0.00 0.00 -1.72 0.00 0.00 179.24 178.47 2k06 n ALA 78 N -2.46 -0.20 -0.20 3.45 0.00 -1.26 -1.85 120.51 117.99 2k06 n ALA 78 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 2k06 n ALA 78 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.97 2k06 n ALA 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k06 h SER 79 N 0.00 -0.50 -0.41 0.00 0.02 -1.90 0.14 113.55 110.90 2k06 h SER 79 Ca 0.00 0.17 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 2k06 h SER 79 Cb 0.00 0.35 -0.09 0.00 0.14 0.00 0.00 62.40 62.80 2k06 h SER 79 CO 0.00 -0.18 -0.22 -0.25 -1.14 0.00 0.00 176.83 175.03 2k06 h TRP 80 N 0.02 -0.58 0.00 3.45 7.01 -1.39 0.42 115.95 124.89 2k06 h TRP 80 Ca 0.30 0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.32 2k06 h TRP 80 Cb 0.46 0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.83 2k06 h TRP 80 CO -0.47 -0.30 -0.14 0.45 -2.79 0.00 0.00 178.44 175.19 2k06 h HIS 81 N -0.15 0.00 -0.22 2.65 3.86 -0.33 -2.83 115.15 118.14 2k06 h HIS 81 Ca 0.20 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 2k06 h HIS 81 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 2k06 h HIS 81 CO -0.46 0.14 -0.13 1.25 0.86 0.00 0.00 177.93 179.59 2k06 h LEU 82 N 0.00 0.49 -0.78 2.43 5.85 0.24 -3.05 115.31 120.48 2k06 h LEU 82 Ca -0.00 -0.43 0.15 0.00 0.84 0.00 0.00 57.88 58.44 2k06 h LEU 82 Cb 0.44 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.23 2k06 h LEU 82 CO 0.02 0.81 0.32 0.58 -0.34 0.00 0.00 178.44 179.83 2k06 h VAL 83 N 0.17 0.63 0.00 1.05 2.07 -0.91 0.77 116.25 120.03 2k06 h VAL 83 Ca 0.05 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2k06 h VAL 83 Cb 0.64 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2k06 h VAL 83 CO 0.04 0.08 -0.04 -0.09 0.02 0.00 0.00 177.57 177.57 2k06 h ARG 84 N 0.44 0.00 0.58 1.57 2.43 -1.58 -3.05 114.38 114.77 2k06 h ARG 84 Ca 0.44 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.58 2k06 h ARG 84 Cb 0.69 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2k06 h ARG 84 CO -0.42 0.04 -0.28 1.03 -1.51 0.00 0.00 179.97 178.83 2k06 h SER 85 N 0.00 -0.66 -2.51 -3.80 0.87 0.64 -3.41 113.55 104.69 2k06 h SER 85 Ca -0.00 0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 60.05 2k06 h SER 85 Cb 0.18 0.17 0.04 0.00 -0.44 0.00 0.00 62.40 62.35 2k06 h SER 85 CO 0.01 -0.44 1.10 0.55 -0.53 0.00 0.00 176.83 177.51 2k06 n VAL 86 N -4.21 0.32 -0.92 2.23 3.14 -1.15 -4.97 118.33 112.76 2k06 n VAL 86 Ca -0.10 -0.06 -0.24 0.00 -2.96 0.00 0.00 64.34 60.99 2k06 n VAL 86 Cb 0.31 -2.10 0.20 0.00 -1.06 0.00 0.00 33.84 31.18 2k06 n VAL 86 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2k06 n PRO 87 N 5.43 -2.73 -1.77 1.45 -0.04 -1.26 -4.05 135.00 132.03 2k06 n PRO 87 Ca 0.18 -1.38 -0.18 0.00 -0.04 0.00 0.00 63.50 62.08 2k06 n PRO 87 Cb 0.37 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 2k06 n PRO 87 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k06 n ARG 88 N -4.17 -1.30 -4.02 0.54 1.74 -1.26 -4.95 116.66 103.25 2k06 n ARG 88 Ca 0.12 1.05 -0.34 0.00 -0.77 0.00 0.00 57.85 57.92 2k06 n ARG 88 Cb 0.47 -5.38 -0.15 0.00 -1.02 0.00 0.00 32.46 26.37 2k06 n ARG 88 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2k06 s VAL 89 N -2.73 2.60 0.12 1.55 1.01 -1.26 -3.46 120.40 118.23 2k06 s VAL 89 Ca 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 2k06 s VAL 89 Cb 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2k06 s VAL 89 CO 0.00 0.29 1.58 0.24 0.00 0.00 0.00 175.10 177.21 2k06 h MET 90 N 7.97 0.69 0.00 2.72 2.86 -0.46 -3.48 114.93 125.24 2k06 h MET 90 Ca -0.36 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 2k06 h MET 90 Cb 1.11 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2k06 h MET 90 CO 0.58 0.77 0.00 0.41 1.06 0.00 0.00 176.91 179.73 2k06 n GLY 91 N -0.40 -0.25 3.69 8.32 0.00 -1.19 -5.00 105.19 110.36 2k06 n GLY 91 Ca -0.01 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.91 2.75 -0.18 1.61 0.08 -1.26 -2.09 117.98 114.97 2k06 s PHE 92 Ca 0.00 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 2k06 s PHE 92 Cb 0.00 -1.34 -0.00 0.00 -0.57 0.00 0.00 43.02 41.11 2k06 s PHE 92 CO 0.00 0.53 -0.11 0.42 -0.10 0.00 0.00 175.22 175.96 2k06 s ILE 93 N -2.33 2.90 -0.28 0.64 -1.09 -1.13 -4.82 121.20 115.09 2k06 s ILE 93 Ca 0.33 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2k06 s ILE 93 Cb -0.05 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 2k06 s ILE 93 CO 0.21 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 2k06 n GLY 94 N 4.35 -0.73 0.18 6.18 0.00 -1.26 -4.28 105.19 109.63 2k06 n GLY 94 Ca -0.19 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 0.61 -1.77 -0.02 0.00 -1.89 -3.45 103.07 96.55 2k06 h GLY 95 Ca 0.00 -0.40 -0.49 0.00 0.00 0.00 0.00 47.33 46.44 2k06 h GLY 95 CO 0.00 0.37 -0.58 -0.51 0.00 0.00 0.00 176.54 175.82 2k06 s THR 96 N -5.23 0.92 -0.62 4.70 -4.23 -1.25 -5.02 115.64 104.90 2k06 s THR 96 Ca -0.13 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.45 2k06 s THR 96 Cb 0.09 -2.61 0.41 0.00 1.34 0.00 0.00 72.50 71.72 2k06 s THR 96 CO 0.76 0.00 1.12 -1.54 -0.54 0.00 0.00 174.62 174.42 2k06 n SER 97 N -0.88 3.35 0.00 3.99 3.41 -1.26 -3.67 113.62 118.56 2k06 n SER 97 Ca -0.04 -2.46 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 2k06 n SER 97 Cb 0.66 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.31 4.22 -3.37 4.04 8.00 -1.26 -4.76 116.55 123.73 2k06 n ASP 98 Ca 0.14 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 2k06 n ASP 98 Cb 0.72 0.73 -0.08 0.00 -0.02 0.00 0.00 41.12 42.47 2k06 n ASP 98 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2k06 s ARG 99 N -1.73 0.35 -0.30 -1.24 3.00 -1.24 -5.10 118.95 112.69 2k06 s ARG 99 Ca 0.00 0.13 -0.29 0.00 -1.00 0.00 0.00 55.73 54.57 2k06 s ARG 99 Cb 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 34.95 34.38 2k06 s ARG 99 CO 0.00 -0.91 1.73 -1.25 0.00 0.00 0.00 175.30 174.86 2k06 s PRO 100 N 2.46 3.50 0.38 5.12 0.04 -1.26 -3.88 135.00 141.36 2k06 s PRO 100 Ca 0.10 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 2k06 s PRO 100 Cb -0.14 -4.14 -0.11 0.00 0.04 0.00 0.00 34.50 30.15 2k06 s PRO 100 CO -0.26 -1.66 1.38 0.00 0.04 0.00 0.00 177.00 176.50 2k06 n ALA 101 N 9.62 1.82 -1.61 8.56 0.00 -1.26 -4.89 120.51 132.75 2k06 n ALA 101 Ca 0.21 0.33 -0.34 0.00 0.00 0.00 0.00 53.44 53.64 2k06 n ALA 101 Cb 0.46 -2.34 0.03 0.00 0.00 0.00 0.00 19.45 17.60 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 -2.09 3.03 0.16 0.00 0.04 -1.26 -4.82 135.00 130.05 2k06 s PRO 102 Ca 0.56 1.45 0.08 0.00 0.04 0.00 0.00 61.00 63.13 2k06 s PRO 102 Cb -0.51 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2k06 s PRO 102 CO 0.62 -1.08 -0.18 0.96 0.04 0.00 0.00 177.00 177.36 2k06 s ILE 103 N -2.16 1.75 0.55 0.56 -4.36 -1.25 -5.06 121.20 111.23 2k06 s ILE 103 Ca 0.69 -1.89 -0.19 0.00 -0.26 0.00 0.00 60.65 59.00 2k06 s ILE 103 Cb -0.21 -1.80 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 2k06 s ILE 103 CO 0.36 -0.33 1.09 -0.44 0.24 0.00 0.00 174.94 175.87 2k06 s SER 104 N -2.63 5.81 0.27 4.36 0.01 -1.26 -4.50 113.70 115.76 2k06 s SER 104 Ca 0.15 2.04 0.01 0.00 1.31 0.00 0.00 55.95 59.45 2k06 s SER 104 Cb -0.06 -2.56 0.58 0.00 0.21 0.00 0.00 66.02 64.19 2k06 s SER 104 CO 0.06 -1.15 1.77 0.44 0.41 0.00 0.00 173.24 174.77 2k06 h ASP 105 N 1.03 0.63 -0.89 2.44 3.32 -2.00 0.99 116.42 121.95 2k06 h ASP 105 Ca -0.49 0.09 0.09 0.00 0.02 0.00 0.00 57.03 56.74 2k06 h ASP 105 Cb 1.24 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.70 2k06 h ASP 105 CO 0.57 0.27 0.54 0.50 -1.72 0.00 0.00 179.24 179.39 2k06 h LYS 106 N 0.70 0.89 -0.67 3.56 3.64 -2.01 -1.17 116.57 121.51 2k06 h LYS 106 Ca 0.49 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.93 2k06 h LYS 106 Cb 0.69 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.22 2k06 h LYS 106 CO -0.35 0.59 0.26 0.93 -2.27 0.00 0.00 179.45 178.60 2k06 h GLU 107 N 0.92 0.42 -0.87 1.90 4.39 -1.15 0.13 114.58 120.31 2k06 h GLU 107 Ca 0.41 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 60.17 2k06 h GLU 107 Cb 0.31 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 2k06 h GLU 107 CO -0.22 0.28 0.57 0.28 -1.16 0.00 0.00 179.01 178.75 2k06 h VAL 108 N 0.43 1.01 -0.22 3.13 2.07 -1.13 -0.12 116.25 121.42 2k06 h VAL 108 Ca 0.35 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 2k06 h VAL 108 Cb 0.47 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2k06 h VAL 108 CO -0.35 0.17 -0.28 0.44 0.02 0.00 0.00 177.57 177.57 2k06 h ASP 109 N 0.92 0.44 -0.48 0.57 3.32 -0.63 -2.95 116.42 117.62 2k06 h ASP 109 Ca 0.39 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.34 2k06 h ASP 109 Cb 0.30 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 2k06 h ASP 109 CO -0.15 0.71 0.21 0.00 -1.72 0.00 0.00 179.24 178.29 2k06 h ALA 110 N 1.32 0.60 -0.20 3.45 0.00 -0.05 0.17 119.26 124.56 2k06 h ALA 110 Ca 0.05 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2k06 h ALA 110 Cb 0.69 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 2k06 h ALA 110 CO 0.05 -0.16 -0.39 0.82 0.00 0.00 0.00 179.25 179.57 2k06 h ILE 111 N 0.42 0.18 -0.51 0.00 2.04 -1.33 0.19 117.51 118.49 2k06 h ILE 111 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2k06 h ILE 111 Cb 0.18 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 2k06 h ILE 111 CO -0.19 0.00 0.32 0.24 0.00 0.00 0.00 178.15 178.52 2k06 h MET 112 N -0.42 0.68 -0.44 2.37 2.86 -1.50 -1.08 114.93 117.40 2k06 h MET 112 Ca 0.10 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2k06 h MET 112 Cb 0.59 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2k06 h MET 112 CO -0.43 0.47 0.22 -0.97 1.06 0.00 0.00 176.91 177.25 2k06 h ASN 113 N 0.70 0.54 -0.83 1.22 -1.24 0.13 -1.67 115.58 114.43 2k06 h ASN 113 Ca 0.19 -0.04 0.10 0.00 0.71 0.00 0.00 56.30 57.26 2k06 h ASN 113 Cb -0.05 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 38.80 2k06 h ASN 113 CO -0.04 0.45 0.54 -0.09 -1.29 0.00 0.00 177.43 177.00 2k06 h ARG 114 N 0.61 0.74 -0.73 6.67 2.43 0.45 -0.77 114.38 123.78 2k06 h ARG 114 Ca 0.15 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 2k06 h ARG 114 Cb 0.05 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.37 2k06 h ARG 114 CO -0.02 0.49 0.40 -0.07 -1.51 0.00 0.00 179.97 179.26 2k06 h LEU 115 N 0.76 0.57 -1.38 3.80 3.38 -1.34 0.15 115.31 121.25 2k06 h LEU 115 Ca 0.39 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.34 2k06 h LEU 115 Cb 0.47 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2k06 h LEU 115 CO -0.16 0.35 -0.16 1.56 0.09 0.00 0.00 178.44 180.12 2k06 h GLN 116 N 0.71 0.21 -6.76 1.13 4.20 -1.22 -3.42 115.11 109.95 2k06 h GLN 116 Ca 0.34 -0.05 -0.52 0.00 0.06 0.00 0.00 58.65 58.48 2k06 h GLN 116 Cb 0.28 -0.03 0.04 0.00 0.30 0.00 0.00 27.48 28.07 2k06 h GLN 116 CO -0.22 0.38 0.60 -1.14 -0.67 0.00 0.00 178.83 177.78 2k06 s GLN 117 N -4.66 4.44 0.26 1.46 0.74 0.04 -4.91 119.66 117.03 2k06 s GLN 117 Ca -0.05 2.04 -0.05 0.00 0.05 0.00 0.00 55.36 57.35 2k06 s GLN 117 Cb 0.15 -3.16 0.30 0.00 1.10 0.00 0.00 33.01 31.40 2k06 s GLN 117 CO 0.73 -0.13 1.92 0.28 -0.55 0.00 0.00 175.29 177.54 2k06 h VAL 118 N 3.40 1.25 0.00 1.34 2.07 -1.82 -3.46 116.25 119.02 2k06 h VAL 118 Ca -0.46 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2k06 h VAL 118 Cb 1.22 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k06 h VAL 118 CO 0.71 0.25 0.00 0.61 0.02 0.00 0.00 177.57 179.16 2k06 n GLY 119 N -1.31 0.92 0.34 2.17 0.00 -1.26 -4.95 105.19 101.09 2k06 n GLY 119 Ca 0.10 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.19 2k06 n GLY 119 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k06 h ASP 120 N 0.00 0.51 -3.04 1.61 2.03 -2.01 -3.25 116.42 112.26 2k06 h ASP 120 Ca 0.00 -0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.68 2k06 h ASP 120 Cb 0.00 -0.11 -0.41 0.00 -0.83 0.00 0.00 39.33 37.98 2k06 h ASP 120 CO 0.00 0.34 -0.66 -0.75 -1.03 0.00 0.00 179.24 177.14 2k06 s LYS 121 N -5.52 2.11 0.49 4.15 2.20 -1.26 -4.91 119.74 116.99 2k06 s LYS 121 Ca -0.09 -3.03 0.32 0.00 -0.36 0.00 0.00 55.97 52.81 2k06 s LYS 121 Cb 0.19 -3.00 1.30 0.00 -1.51 0.00 0.00 37.83 34.80 2k06 s LYS 121 CO 0.75 -1.29 1.93 -1.00 -0.36 0.00 0.00 175.35 175.38 2k06 h PRO 122 N 5.55 0.00 0.00 4.03 0.13 -1.99 -3.53 132.00 136.19 2k06 h PRO 122 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2k06 h PRO 122 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2k06 h PRO 122 CO 0.64 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.28