#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 0.32 -2.51 7.83 0.87 -2.13 -3.42 113.55 114.52 2k06 h SER 2 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2k06 h SER 2 Cb 0.00 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 61.82 2k06 h SER 2 CO 0.00 0.21 -0.58 -1.61 -0.53 0.00 0.00 176.83 174.32 2k06 s GLU 3 N -5.35 2.76 0.63 2.24 0.41 -1.26 -5.08 118.70 113.05 2k06 s GLU 3 Ca -0.07 -1.03 -0.18 0.00 -0.41 0.00 0.00 54.97 53.28 2k06 s GLU 3 Cb 0.19 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.98 2k06 s GLU 3 CO 0.73 0.44 0.90 0.00 -0.49 0.00 0.00 175.26 176.84 2k06 n ALA 4 N -0.65 -0.08 -1.77 5.21 0.00 -1.26 -4.91 120.51 117.05 2k06 n ALA 4 Ca -0.08 -0.04 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 2k06 n ALA 4 Cb 0.56 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 2k06 n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k06 s PRO 5 N -2.81 4.26 -0.30 0.00 0.04 -1.26 -4.93 135.00 130.00 2k06 s PRO 5 Ca 0.75 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.79 2k06 s PRO 5 Cb -0.40 -2.91 0.43 0.00 0.04 0.00 0.00 34.50 31.67 2k06 s PRO 5 CO 0.48 -0.19 1.61 1.63 0.04 0.00 0.00 177.00 180.57 2k06 n LYS 6 N 0.52 1.82 -3.39 4.56 5.02 -1.26 -4.90 118.16 120.54 2k06 n LYS 6 Ca 0.02 -1.97 -0.38 0.00 -2.02 0.00 0.00 58.31 53.96 2k06 n LYS 6 Cb 0.44 -1.77 -0.07 0.00 -0.02 0.00 0.00 35.03 33.61 2k06 n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k06 s LYS 7 N -2.16 4.25 0.23 1.97 1.02 -1.26 -4.68 119.74 119.11 2k06 s LYS 7 Ca 0.37 0.27 0.07 0.00 0.02 0.00 0.00 55.97 56.71 2k06 s LYS 7 Cb 0.31 -3.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 2k06 s LYS 7 CO 0.07 0.09 -0.12 1.03 -0.92 0.00 0.00 175.35 175.50 2k06 s ARG 8 N 0.89 1.40 -0.19 1.68 0.52 -1.26 -4.94 118.95 117.05 2k06 s ARG 8 Ca 0.21 -1.65 -0.19 0.00 -0.52 0.00 0.00 55.73 53.58 2k06 s ARG 8 Cb -0.14 -1.12 -0.03 0.00 0.52 0.00 0.00 34.95 34.17 2k06 s ARG 8 CO 0.08 0.14 0.53 -1.58 0.02 0.00 0.00 175.30 174.48 2k06 s TRP 9 N -2.99 3.39 0.09 -0.53 0.52 -1.26 -1.54 118.94 116.61 2k06 s TRP 9 Ca 0.25 0.81 0.10 0.00 0.02 0.00 0.00 56.10 57.27 2k06 s TRP 9 Cb 0.01 -2.67 -0.03 0.00 -1.15 0.00 0.00 33.47 29.62 2k06 s TRP 9 CO 0.08 -0.08 -0.26 0.71 0.02 0.00 0.00 176.95 177.43 2k06 s TYR 10 N 1.55 2.22 0.48 -1.98 1.51 -1.13 -3.09 117.35 116.91 2k06 s TYR 10 Ca 0.25 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.86 2k06 s TYR 10 Cb -0.15 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 2k06 s TYR 10 CO 0.10 0.23 0.79 0.08 -1.11 0.00 0.00 175.55 175.63 2k06 s VAL 11 N -0.95 4.89 -0.25 0.71 1.01 -1.26 -1.42 120.40 123.12 2k06 s VAL 11 Ca 0.12 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 2k06 s VAL 11 Cb -0.10 -3.85 0.11 0.00 0.00 0.00 0.00 36.38 32.54 2k06 s VAL 11 CO 0.04 -0.82 0.22 -0.69 0.00 0.00 0.00 175.10 173.85 2k06 s VAL 12 N -2.71 -0.29 0.28 2.92 1.01 -0.03 -3.76 120.40 117.83 2k06 s VAL 12 Ca 0.48 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 2k06 s VAL 12 Cb -0.10 -0.86 0.38 0.00 0.00 0.00 0.00 36.38 35.80 2k06 s VAL 12 CO 0.44 -0.43 1.59 -0.61 0.00 0.00 0.00 175.10 176.09 2k06 h GLN 13 N 8.32 0.04 0.00 2.72 4.15 -1.44 -3.17 115.11 125.73 2k06 h GLN 13 Ca -0.16 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2k06 h GLN 13 Cb 1.09 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2k06 h GLN 13 CO 0.34 0.02 0.00 0.00 -1.93 0.00 0.00 178.83 177.26 2k06 n ALA 14 N -3.15 0.00 -2.80 3.38 0.00 -1.25 -4.29 120.51 112.40 2k06 n ALA 14 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 2k06 n ALA 14 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 3.38 0.16 0.00 5.36 -0.30 -2.17 117.98 124.42 2k06 s PHE 15 Ca 0.00 0.33 -0.31 0.00 -0.96 0.00 0.00 56.93 55.99 2k06 s PHE 15 Cb 0.00 -1.83 -0.09 0.00 -0.34 0.00 0.00 43.02 40.76 2k06 s PHE 15 CO 0.00 0.60 1.45 -1.54 -1.46 0.00 0.00 175.22 174.27 2k06 s SER 16 N -1.27 6.72 0.00 6.13 1.04 -1.26 -2.07 113.70 122.99 2k06 s SER 16 Ca 0.18 2.48 0.00 0.00 0.48 0.00 0.00 55.95 59.09 2k06 s SER 16 Cb -0.12 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2k06 s SER 16 CO 0.08 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2k06 n GLY 17 N 3.31 2.91 1.53 7.32 0.00 -1.26 -4.77 105.19 114.23 2k06 n GLY 17 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.39 1.60 -0.33 1.61 3.72 -0.88 -4.55 117.46 118.23 2k06 n PHE 18 Ca 0.00 -0.73 0.11 0.00 -0.05 0.00 0.00 57.45 56.78 2k06 n PHE 18 Cb 0.00 -0.38 0.28 0.00 -0.94 0.00 0.00 39.48 38.44 2k06 n PHE 18 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2k06 h GLU 19 N 3.42 0.70 0.08 -1.08 3.07 -1.84 1.73 114.58 120.67 2k06 h GLU 19 Ca 0.00 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2k06 h GLU 19 Cb 1.68 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 2k06 h GLU 19 CO 0.35 0.46 -0.04 0.78 -1.40 0.00 0.00 179.01 179.16 2k06 h GLY 20 N 0.72 -0.12 0.51 -3.84 0.00 -1.92 -3.16 103.07 95.26 2k06 h GLY 20 Ca 0.54 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.97 2k06 h GLY 20 CO -0.37 -0.04 0.11 -0.09 0.00 0.00 0.00 176.54 176.15 2k06 h ARG 21 N -1.01 0.25 -0.80 4.80 2.43 -1.79 -1.20 114.38 117.05 2k06 h ARG 21 Ca -0.01 -0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.34 2k06 h ARG 21 Cb 0.23 -0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.59 2k06 h ARG 21 CO 0.02 0.17 0.14 0.28 -1.51 0.00 0.00 179.97 179.07 2k06 h VAL 22 N 0.26 0.37 -0.68 0.20 2.07 0.25 0.39 116.25 119.10 2k06 h VAL 22 Ca 0.21 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.78 2k06 h VAL 22 Cb 0.25 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 2k06 h VAL 22 CO -0.25 0.03 0.27 0.00 0.02 0.00 0.00 177.57 177.64 2k06 h ALA 23 N 1.72 0.92 -0.62 1.67 0.00 -1.18 -0.39 119.26 121.38 2k06 h ALA 23 Ca 0.47 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 2k06 h ALA 23 Cb 0.88 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2k06 h ALA 23 CO -0.63 -0.19 0.32 1.15 0.00 0.00 0.00 179.25 179.90 2k06 h THR 24 N 0.44 1.21 -0.24 0.00 2.02 -0.18 -2.85 112.91 113.31 2k06 h THR 24 Ca 0.36 -0.56 0.06 0.00 0.77 0.00 0.00 66.41 67.04 2k06 h THR 24 Cb 0.49 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 2k06 h THR 24 CO -0.35 0.23 -0.33 -1.28 0.37 0.00 0.00 175.52 174.16 2k06 h SER 25 N 0.84 -1.06 -0.37 4.18 0.87 -0.18 0.18 113.55 118.01 2k06 h SER 25 Ca 0.21 0.17 0.07 0.00 -1.23 0.00 0.00 61.79 61.01 2k06 h SER 25 Cb 0.08 0.47 -0.09 0.00 -0.44 0.00 0.00 62.40 62.42 2k06 h SER 25 CO -0.03 -0.35 -0.41 -0.07 -0.53 0.00 0.00 176.83 175.45 2k06 h LEU 26 N -0.34 -1.34 -1.59 2.23 3.38 -1.22 0.63 115.31 117.05 2k06 h LEU 26 Ca 0.12 0.21 0.19 0.00 0.09 0.00 0.00 57.88 58.49 2k06 h LEU 26 Cb 0.55 0.59 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 2k06 h LEU 26 CO -0.43 -0.37 0.56 -0.09 0.09 0.00 0.00 178.44 178.21 2k06 h ARG 27 N -0.33 0.35 -0.36 1.13 2.43 -1.14 1.48 114.38 117.93 2k06 h ARG 27 Ca 0.14 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2k06 h ARG 27 Cb 0.58 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2k06 h ARG 27 CO -0.54 0.23 0.20 1.49 -1.51 0.00 0.00 179.97 179.84 2k06 h GLU 28 N 0.36 0.50 0.00 0.20 4.81 0.22 0.94 114.58 121.61 2k06 h GLU 28 Ca 0.43 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 59.36 2k06 h GLU 28 Cb 1.11 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2k06 h GLU 28 CO -0.14 0.40 -1.24 0.45 -0.73 0.00 0.00 179.01 177.75 2k06 h HIS 29 N 0.46 0.01 -0.36 0.92 3.86 0.11 -3.24 115.15 116.91 2k06 h HIS 29 Ca 0.13 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2k06 h HIS 29 Cb 0.04 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2k06 h HIS 29 CO -0.03 1.01 0.09 0.82 0.86 0.00 0.00 177.93 180.68 2k06 h ILE 30 N 0.00 1.22 -0.94 2.45 2.04 0.22 0.18 117.51 122.67 2k06 h ILE 30 Ca -0.11 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2k06 h ILE 30 Cb 1.86 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.91 2k06 h ILE 30 CO 0.11 0.25 0.61 0.50 0.00 0.00 0.00 178.15 179.63 2k06 h LYS 31 N 0.43 1.25 0.09 2.37 3.64 -0.92 1.85 116.57 125.28 2k06 h LYS 31 Ca 0.11 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2k06 h LYS 31 Cb 0.29 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2k06 h LYS 31 CO -0.00 0.84 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.90 2k06 h LEU 32 N 1.28 -0.11 0.00 5.20 3.38 -1.50 -2.91 115.31 120.65 2k06 h LEU 32 Ca 0.34 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k06 h LEU 32 Cb -0.13 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2k06 h LEU 32 CO -0.07 0.36 0.00 1.41 0.09 0.00 0.00 178.44 180.23 2k06 n HIS 33 N -4.93 0.00 -3.47 1.13 8.25 0.59 -4.89 115.22 111.91 2k06 n HIS 33 Ca -0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.19 2k06 n HIS 33 Cb 0.25 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.00 -2.39 -0.78 0.41 3.02 0.57 -4.88 115.26 110.20 2k06 n ASN 34 Ca 0.23 -0.63 0.12 0.00 -0.03 0.00 0.00 54.58 54.28 2k06 n ASN 34 Cb 0.11 -5.04 0.29 0.00 -0.61 0.00 0.00 39.78 34.52 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 -4.22 2.07 -0.33 3.52 2.81 0.20 -4.31 117.12 116.85 2k06 n MET 35 Ca -0.26 -1.56 0.23 0.00 -1.81 0.00 0.00 57.70 54.29 2k06 n MET 35 Cb 0.66 -1.47 0.51 0.00 -0.71 0.00 0.00 33.22 32.21 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 3.59 0.38 -0.56 0.03 5.08 -1.86 0.28 114.58 121.52 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 0.77 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 2k06 h GLU 36 CO 0.00 0.25 0.29 0.22 -1.00 0.00 0.00 179.01 178.77 2k06 h ASP 37 N 0.39 0.43 0.17 1.42 3.58 -1.95 -2.96 116.42 117.49 2k06 h ASP 37 Ca 0.60 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 58.07 2k06 h ASP 37 Cb 1.52 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.52 2k06 h ASP 37 CO -0.30 0.29 -0.08 -0.07 -2.88 0.00 0.00 179.24 176.19 2k06 h LEU 38 N 0.56 -0.20 -9.82 2.28 3.38 -0.81 -3.44 115.31 107.27 2k06 h LEU 38 Ca 0.25 -0.33 -0.52 0.00 0.09 0.00 0.00 57.88 57.36 2k06 h LEU 38 Cb 0.15 0.05 0.05 0.00 0.09 0.00 0.00 40.66 41.00 2k06 h LEU 38 CO -0.16 0.30 0.62 -0.36 0.09 0.00 0.00 178.44 178.93 2k06 s PHE 39 N -3.86 3.19 0.00 1.13 0.40 -0.51 -3.67 117.98 114.66 2k06 s PHE 39 Ca -0.14 1.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 2k06 s PHE 39 Cb 0.01 -3.60 0.00 0.00 0.51 0.00 0.00 43.02 39.94 2k06 s PHE 39 CO 0.53 -1.67 0.00 0.41 0.70 0.00 0.00 175.22 175.19 2k06 n GLY 40 N 1.29 0.05 3.28 4.36 0.00 -0.80 -4.75 105.19 108.62 2k06 n GLY 40 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.96 1.15 0.22 1.61 0.41 -1.26 -4.99 118.70 114.88 2k06 s GLU 41 Ca 0.00 -1.41 0.11 0.00 -0.41 0.00 0.00 54.97 53.26 2k06 s GLU 41 Cb 0.00 -0.94 -0.05 0.00 -1.78 0.00 0.00 34.13 31.36 2k06 s GLU 41 CO 0.00 0.16 -0.21 0.08 -0.49 0.00 0.00 175.26 174.81 2k06 s VAL 42 N -2.64 2.24 0.13 2.63 1.01 -1.26 -1.07 120.40 121.44 2k06 s VAL 42 Ca 0.15 -2.16 0.10 0.00 0.00 0.00 0.00 61.98 60.07 2k06 s VAL 42 Cb -0.02 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2k06 s VAL 42 CO 0.04 -0.30 -0.25 -0.04 0.00 0.00 0.00 175.10 174.55 2k06 s MET 43 N -3.08 1.33 -0.47 2.72 -1.94 0.24 -4.96 119.30 113.14 2k06 s MET 43 Ca 0.23 -1.32 0.07 0.00 -1.71 0.00 0.00 55.69 52.95 2k06 s MET 43 Cb -0.06 -1.72 0.23 0.00 2.01 0.00 0.00 34.83 35.28 2k06 s MET 43 CO 0.11 0.40 0.52 0.28 -0.01 0.00 0.00 175.02 176.32 2k06 n VAL 44 N 0.85 -0.05 0.98 -6.03 0.31 -1.26 -3.93 118.33 109.20 2k06 n VAL 44 Ca -0.18 -4.18 0.08 0.00 -0.01 0.00 0.00 64.34 60.06 2k06 n VAL 44 Cb 0.54 -1.94 0.47 0.00 -0.91 0.00 0.00 33.84 32.00 2k06 n VAL 44 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2k06 n PRO 45 N 1.65 0.48 -4.44 5.55 -0.04 -1.26 -4.75 135.00 132.18 2k06 n PRO 45 Ca 0.25 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 2k06 n PRO 45 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2k06 n PRO 45 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2k06 s THR 46 N -2.06 1.54 0.30 0.52 -1.32 -1.26 -4.72 115.64 108.63 2k06 s THR 46 Ca 0.23 -1.83 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 2k06 s THR 46 Cb 0.11 -2.37 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 2k06 s THR 46 CO 0.19 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.98 2k06 n GLU 47 N -1.35 -5.04 -0.17 7.08 -0.58 -1.26 -4.73 120.64 114.59 2k06 n GLU 47 Ca -0.11 3.62 -0.01 0.00 -0.42 0.00 0.00 57.16 60.25 2k06 n GLU 47 Cb 0.66 -3.94 0.22 0.00 -0.57 0.00 0.00 31.44 27.81 2k06 n GLU 47 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2k06 h GLU 48 N 3.31 0.91 -5.45 3.49 4.81 -1.95 -3.42 114.58 116.28 2k06 h GLU 48 Ca 0.00 -0.11 -0.45 0.00 -0.13 0.00 0.00 59.36 58.66 2k06 h GLU 48 Cb 0.00 -0.17 -0.24 0.00 0.63 0.00 0.00 28.75 28.97 2k06 h GLU 48 CO 0.00 0.70 -0.80 0.14 -0.73 0.00 0.00 179.01 178.32 2k06 s VAL 49 N -5.54 1.20 0.43 0.32 -7.23 -1.26 -5.02 120.40 103.30 2k06 s VAL 49 Ca -0.10 -1.14 0.23 0.00 -1.81 0.00 0.00 61.98 59.15 2k06 s VAL 49 Cb 0.17 -1.10 0.25 0.00 0.56 0.00 0.00 36.38 36.26 2k06 s VAL 49 CO 0.79 -0.05 2.04 1.62 -0.31 0.00 0.00 175.10 179.20 2k06 h VAL 50 N 4.40 0.78 -3.71 1.32 3.04 -1.90 -3.42 116.25 116.76 2k06 h VAL 50 Ca -0.40 -0.57 -0.50 0.00 -1.01 0.00 0.00 66.70 64.23 2k06 h VAL 50 Cb 1.18 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 2k06 h VAL 50 CO 0.42 0.14 0.32 -0.70 -1.01 0.00 0.00 177.57 176.75 2k06 s GLU 51 N -4.36 4.81 0.28 4.17 2.12 -1.26 -4.93 118.70 119.53 2k06 s GLU 51 Ca -0.03 1.44 -0.02 0.00 0.36 0.00 0.00 54.97 56.71 2k06 s GLU 51 Cb 0.14 -3.28 0.41 0.00 0.26 0.00 0.00 34.13 31.66 2k06 s GLU 51 CO 0.63 0.52 1.94 0.82 -0.54 0.00 0.00 175.26 178.62 2k06 h ILE 52 N 3.21 1.18 -3.22 -3.70 2.04 -2.02 -3.43 117.51 111.57 2k06 h ILE 52 Ca -0.45 -0.40 -0.58 0.00 1.00 0.00 0.00 64.86 64.43 2k06 h ILE 52 Cb 1.20 -0.09 0.16 0.00 -0.74 0.00 0.00 36.82 37.35 2k06 h ILE 52 CO 0.68 0.21 -0.09 0.54 0.00 0.00 0.00 178.15 179.49 2k06 n ARG 53 N -4.43 0.79 -2.01 2.37 1.74 -1.26 -3.22 116.66 110.65 2k06 n ARG 53 Ca 0.11 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 2k06 n ARG 53 Cb 0.07 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 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 1.48 0.80 0.00 -0.13 0.00 -1.26 -4.90 105.19 101.18 2k06 n GLY 54 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.67 2.02 3.21 -0.02 0.00 -1.20 -4.86 105.19 103.67 2k06 n GLY 55 Ca 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 2k06 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k06 n GLN 56 N 0.00 -5.52 -3.76 1.61 6.02 -1.26 -5.00 117.38 109.47 2k06 n GLN 56 Ca 0.00 0.78 -0.27 0.00 -0.01 0.00 0.00 57.00 57.50 2k06 n GLN 56 Cb 0.00 -5.57 -0.03 0.00 1.02 0.00 0.00 30.24 25.66 2k06 n GLN 56 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2k06 s ARG 57 N -5.11 3.50 0.08 -1.09 0.52 -1.26 -5.09 118.95 110.50 2k06 s ARG 57 Ca 0.06 -0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 2k06 s ARG 57 Cb -0.01 -2.87 -0.06 0.00 0.52 0.00 0.00 34.95 32.53 2k06 s ARG 57 CO 0.67 0.43 0.47 1.03 0.02 0.00 0.00 175.30 177.92 2k06 s ARG 58 N -3.32 3.93 -1.40 3.54 0.52 -1.26 -4.14 118.95 116.81 2k06 s ARG 58 Ca 0.37 0.41 -0.08 0.00 -0.52 0.00 0.00 55.73 55.92 2k06 s ARG 58 Cb -0.11 -3.07 0.04 0.00 0.52 0.00 0.00 34.95 32.33 2k06 s ARG 58 CO 0.29 0.58 0.96 1.17 0.02 0.00 0.00 175.30 178.32 2k06 n LYS 59 N 1.23 -6.02 -4.50 3.54 4.81 -1.26 -4.98 118.16 110.98 2k06 n LYS 59 Ca -0.09 0.68 -0.30 0.00 -0.87 0.00 0.00 58.31 57.73 2k06 n LYS 59 Cb 0.52 -5.53 -0.12 0.00 0.02 0.00 0.00 35.03 29.91 2k06 n LYS 59 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2k06 s SER 60 N -3.69 3.70 0.21 3.14 1.04 -1.26 -5.13 113.70 111.70 2k06 s SER 60 Ca 0.41 -0.54 0.08 0.00 0.48 0.00 0.00 55.95 56.38 2k06 s SER 60 Cb -0.20 -0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.39 2k06 s SER 60 CO 0.79 0.21 0.00 -1.61 0.98 0.00 0.00 173.24 173.62 2k06 s GLU 61 N -1.79 2.38 0.02 4.02 0.41 -1.26 -5.05 118.70 117.43 2k06 s GLU 61 Ca 0.16 -1.21 0.06 0.00 -0.41 0.00 0.00 54.97 53.57 2k06 s GLU 61 Cb -0.10 -2.30 -0.02 0.00 -1.78 0.00 0.00 34.13 29.93 2k06 s GLU 61 CO 0.07 0.42 -0.17 1.03 -0.49 0.00 0.00 175.26 176.12 2k06 s ARG 62 N -3.21 1.24 -0.08 1.61 0.52 -1.26 -5.01 118.95 112.76 2k06 s ARG 62 Ca 0.29 -0.74 0.18 0.00 -0.52 0.00 0.00 55.73 54.93 2k06 s ARG 62 Cb -0.08 -1.27 0.66 0.00 0.52 0.00 0.00 34.95 34.78 2k06 s ARG 62 CO 0.19 0.33 1.56 1.63 0.02 0.00 0.00 175.30 179.03 2k06 n LYS 63 N 2.21 3.36 -4.18 3.54 5.02 -1.26 -4.93 118.16 121.92 2k06 n LYS 63 Ca -0.16 -2.62 -0.23 0.00 -2.02 0.00 0.00 58.31 53.28 2k06 n LYS 63 Cb 0.54 -1.79 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 2k06 n LYS 63 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2k06 s PHE 64 N -1.68 2.72 -0.76 2.13 0.08 -1.26 -5.03 117.98 114.18 2k06 s PHE 64 Ca 0.47 -0.31 -0.08 0.00 0.12 0.00 0.00 56.93 57.13 2k06 s PHE 64 Cb 0.29 -1.47 0.20 0.00 -0.57 0.00 0.00 43.02 41.47 2k06 s PHE 64 CO 0.25 0.45 0.64 -0.59 -0.10 0.00 0.00 175.22 175.87 2k06 s PHE 65 N -2.38 3.63 0.65 0.36 -0.71 -1.26 -5.05 117.98 113.22 2k06 s PHE 65 Ca 0.35 -2.39 -0.15 0.00 -1.04 0.00 0.00 56.93 53.71 2k06 s PHE 65 Cb -0.04 -3.53 -0.01 0.00 -1.21 0.00 0.00 43.02 38.24 2k06 s PHE 65 CO 0.22 -0.91 1.10 -1.25 -1.34 0.00 0.00 175.22 173.04 2k06 s PRO 66 N -0.09 2.88 0.00 1.99 0.04 -1.26 -4.06 135.00 134.51 2k06 s PRO 66 Ca 0.19 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2k06 s PRO 66 Cb -0.14 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2k06 s PRO 66 CO -0.07 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2k06 n GLY 67 N -0.65 0.64 3.06 0.56 0.00 -1.26 -4.92 105.19 102.61 2k06 n GLY 67 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 2.27 -0.00 1.61 1.51 -1.26 -4.47 117.35 115.01 2k06 s TYR 68 Ca 0.00 -1.21 0.03 0.00 -1.01 0.00 0.00 57.07 54.88 2k06 s TYR 68 Cb 0.00 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2k06 s TYR 68 CO 0.00 -0.63 -0.09 0.08 -1.11 0.00 0.00 175.55 173.80 2k06 s VAL 69 N 1.23 0.73 -0.13 0.71 1.01 -1.20 -4.51 120.40 118.23 2k06 s VAL 69 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2k06 s VAL 69 Cb -0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2k06 s VAL 69 CO -0.07 0.16 0.03 -0.76 0.00 0.00 0.00 175.10 174.46 2k06 s LEU 70 N -0.33 3.67 -0.07 3.92 1.02 -1.25 -0.85 118.68 124.79 2k06 s LEU 70 Ca 0.03 0.10 -0.03 0.00 0.02 0.00 0.00 54.13 54.26 2k06 s LEU 70 Cb -0.04 -1.88 0.04 0.00 0.02 0.00 0.00 46.19 44.33 2k06 s LEU 70 CO -0.00 0.28 0.07 -0.69 0.02 0.00 0.00 176.35 176.02 2k06 s VAL 71 N -0.28 -0.10 0.24 -1.59 1.01 -0.51 0.80 120.40 119.96 2k06 s VAL 71 Ca 0.07 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 2k06 s VAL 71 Cb -0.12 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.92 2k06 s VAL 71 CO 0.02 0.08 1.36 -1.58 0.00 0.00 0.00 175.10 174.98 2k06 s GLN 72 N 2.16 4.34 0.00 2.72 0.74 -0.23 -2.83 119.66 126.56 2k06 s GLN 72 Ca 0.04 2.17 0.00 0.00 0.05 0.00 0.00 55.36 57.63 2k06 s GLN 72 Cb -0.13 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.84 2k06 s GLN 72 CO -0.04 -0.30 0.00 -0.12 -0.55 0.00 0.00 175.29 174.27 2k06 n MET 73 N 2.24 0.00 -2.99 1.67 1.56 -0.59 -1.90 117.12 117.11 2k06 n MET 73 Ca 0.05 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 57.10 2k06 n MET 73 Cb 0.42 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.73 2k06 n MET 73 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2k06 s VAL 74 N -2.00 4.39 -0.13 1.12 1.01 -1.24 -4.18 120.40 119.37 2k06 s VAL 74 Ca 0.00 1.65 -0.25 0.00 0.00 0.00 0.00 61.98 63.38 2k06 s VAL 74 Cb 0.00 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2k06 s VAL 74 CO 0.00 0.47 0.80 -0.04 0.00 0.00 0.00 175.10 176.33 2k06 s MET 75 N -1.30 4.35 0.30 2.72 -1.94 -1.26 -4.84 119.30 117.33 2k06 s MET 75 Ca 0.37 1.00 -0.11 0.00 -1.71 0.00 0.00 55.69 55.24 2k06 s MET 75 Cb -0.22 -3.53 0.01 0.00 2.01 0.00 0.00 34.83 33.09 2k06 s MET 75 CO 0.25 -0.20 0.54 0.54 -0.01 0.00 0.00 175.02 176.14 2k06 s ASN 76 N 1.06 0.17 0.43 3.03 4.22 -1.26 -5.00 114.94 117.60 2k06 s ASN 76 Ca 0.39 -1.09 0.15 0.00 -2.14 0.00 0.00 52.86 50.18 2k06 s ASN 76 Cb -0.17 0.66 0.97 0.00 1.28 0.00 0.00 41.25 43.99 2k06 s ASN 76 CO 0.15 -1.28 1.95 0.44 -2.04 0.00 0.00 177.10 176.32 2k06 h ASP 77 N 2.16 0.00 0.00 3.54 3.32 -1.98 -1.64 116.42 121.81 2k06 h ASP 77 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2k06 h ASP 77 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2k06 h ASP 77 CO 0.36 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 178.11 2k06 n ALA 78 N -2.47 -0.10 -0.23 3.45 0.00 -1.26 -2.42 120.51 117.49 2k06 n ALA 78 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 2k06 n ALA 78 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.56 -0.67 0.00 0.02 -1.88 0.33 113.55 109.78 2k06 h SER 79 Ca 0.00 0.26 0.11 0.00 -0.84 0.00 0.00 61.79 61.32 2k06 h SER 79 Cb 0.00 0.71 -0.12 0.00 0.14 0.00 0.00 62.40 63.13 2k06 h SER 79 CO 0.00 -0.33 -0.34 -0.25 -1.14 0.00 0.00 176.83 174.77 2k06 h TRP 80 N -0.20 -0.95 -0.54 3.45 7.01 -1.45 0.72 115.95 123.98 2k06 h TRP 80 Ca 0.18 0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 2k06 h TRP 80 Cb 0.56 0.52 -0.03 0.00 -2.10 0.00 0.00 29.16 28.11 2k06 h TRP 80 CO -0.75 -0.39 0.30 1.25 -2.79 0.00 0.00 178.44 176.07 2k06 h HIS 81 N -0.13 0.73 -0.81 2.65 2.76 -0.47 -1.51 115.15 118.37 2k06 h HIS 81 Ca 0.26 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.49 2k06 h HIS 81 Cb 0.56 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 2k06 h HIS 81 CO -0.68 0.51 0.53 1.25 -1.30 0.00 0.00 177.93 178.23 2k06 h LEU 82 N 0.76 0.76 -0.07 0.26 5.85 0.40 0.88 115.31 124.14 2k06 h LEU 82 Ca 0.19 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2k06 h LEU 82 Cb 0.02 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2k06 h LEU 82 CO -0.03 0.48 -0.30 0.58 -0.34 0.00 0.00 178.44 178.83 2k06 h VAL 83 N 0.86 1.42 -0.06 1.05 2.07 -0.21 -2.64 116.25 118.74 2k06 h VAL 83 Ca 0.35 -1.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 2k06 h VAL 83 Cb 0.27 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2k06 h VAL 83 CO -0.13 0.49 -0.43 -0.09 0.02 0.00 0.00 177.57 177.43 2k06 h ARG 84 N -0.16 0.13 -0.31 1.57 2.43 -0.89 -3.01 114.38 114.15 2k06 h ARG 84 Ca -0.02 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2k06 h ARG 84 Cb 0.94 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2k06 h ARG 84 CO 0.06 0.54 0.07 0.66 -1.51 0.00 0.00 179.97 179.79 2k06 h SER 85 N 0.11 0.48 -3.47 -3.80 4.64 0.79 -3.41 113.55 108.88 2k06 h SER 85 Ca 0.01 -0.24 -0.53 0.00 -0.47 0.00 0.00 61.79 60.55 2k06 h SER 85 Cb 0.80 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.74 2k06 h SER 85 CO 0.06 0.60 0.26 0.54 -0.87 0.00 0.00 176.83 177.42 2k06 s VAL 86 N -5.25 4.69 0.00 0.95 0.11 -1.00 -5.05 120.40 114.85 2k06 s VAL 86 Ca -0.13 1.85 0.00 0.00 -2.93 0.00 0.00 61.98 60.77 2k06 s VAL 86 Cb 0.09 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 2k06 s VAL 86 CO 0.75 0.31 0.00 -0.81 -3.33 0.00 0.00 175.10 172.01 2k06 n PRO 87 N 3.05 -0.43 -1.35 1.54 -0.04 -1.26 -4.19 135.00 132.31 2k06 n PRO 87 Ca 0.01 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 2k06 n PRO 87 Cb 0.50 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.06 -1.39 -4.07 0.54 1.74 -1.26 -4.94 116.66 106.22 2k06 n ARG 88 Ca 0.00 0.90 -0.32 0.00 -0.77 0.00 0.00 57.85 57.66 2k06 n ARG 88 Cb 0.00 -5.16 -0.15 0.00 -1.02 0.00 0.00 32.46 26.13 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 -2.17 2.18 0.19 1.55 1.01 -1.26 -1.15 120.40 120.76 2k06 s VAL 89 Ca 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 61.98 60.20 2k06 s VAL 89 Cb 0.00 -2.31 0.10 0.00 0.00 0.00 0.00 36.38 34.17 2k06 s VAL 89 CO 0.00 -0.07 1.69 0.24 0.00 0.00 0.00 175.10 176.95 2k06 h MET 90 N 7.76 1.11 0.00 2.72 2.86 -1.71 -3.45 114.93 124.21 2k06 h MET 90 Ca -0.18 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2k06 h MET 90 Cb 1.04 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2k06 h MET 90 CO 0.46 1.02 0.00 0.41 1.06 0.00 0.00 176.91 179.87 2k06 n GLY 91 N -0.56 -1.23 3.95 8.32 0.00 -1.26 -4.92 105.19 109.49 2k06 n GLY 91 Ca 0.04 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.95 3.44 -0.23 1.61 0.08 -1.26 -1.35 117.98 117.32 2k06 s PHE 92 Ca 0.00 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.06 2k06 s PHE 92 Cb 0.00 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.89 2k06 s PHE 92 CO 0.00 0.47 -0.12 0.42 -0.10 0.00 0.00 175.22 175.89 2k06 s ILE 93 N -1.92 2.47 -0.01 0.64 -1.09 -1.25 -4.70 121.20 115.34 2k06 s ILE 93 Ca 0.34 -1.12 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 2k06 s ILE 93 Cb -0.10 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.55 2k06 s ILE 93 CO 0.29 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 2k06 n GLY 94 N 4.60 -1.01 0.20 6.18 0.00 -1.26 -4.35 105.19 109.54 2k06 n GLY 94 Ca -0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 0.66 -2.24 -0.02 0.00 -1.89 -3.45 103.07 96.13 2k06 h GLY 95 Ca 0.00 -0.97 -0.39 0.00 0.00 0.00 0.00 47.33 45.97 2k06 h GLY 95 CO 0.00 0.86 -0.61 -0.51 0.00 0.00 0.00 176.54 176.28 2k06 s THR 96 N -3.61 0.76 -1.34 4.70 -4.23 -1.24 -5.02 115.64 105.68 2k06 s THR 96 Ca -0.08 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.51 2k06 s THR 96 Cb 0.09 -2.68 0.33 0.00 1.34 0.00 0.00 72.50 71.58 2k06 s THR 96 CO 0.88 -0.01 1.15 -1.54 -0.54 0.00 0.00 174.62 174.56 2k06 n SER 97 N -0.53 2.43 0.00 3.99 3.41 -1.26 -3.66 113.62 118.01 2k06 n SER 97 Ca -0.01 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 2k06 n SER 97 Cb 0.66 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.37 3.71 -3.53 4.04 8.00 -1.26 -4.51 116.55 123.37 2k06 n ASP 98 Ca 0.12 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.34 2k06 n ASP 98 Cb 0.47 0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 42.08 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 -1.55 0.19 -0.35 -1.24 1.81 -1.24 -5.06 118.95 111.51 2k06 s ARG 99 Ca 0.00 -0.43 -0.28 0.00 -1.72 0.00 0.00 55.73 53.30 2k06 s ARG 99 Cb 0.00 -1.18 -0.01 0.00 -0.45 0.00 0.00 34.95 33.30 2k06 s ARG 99 CO 0.00 -0.98 1.74 -1.25 -0.68 0.00 0.00 175.30 174.14 2k06 s PRO 100 N 2.13 3.36 0.35 3.54 0.04 -1.26 -3.58 135.00 139.58 2k06 s PRO 100 Ca 0.08 1.34 -0.28 0.00 0.04 0.00 0.00 61.00 62.19 2k06 s PRO 100 Cb -0.16 -4.18 -0.12 0.00 0.04 0.00 0.00 34.50 30.09 2k06 s PRO 100 CO -0.33 -1.83 1.36 0.00 0.04 0.00 0.00 177.00 176.24 2k06 n ALA 101 N 10.11 1.64 -1.57 8.56 0.00 -1.26 -4.89 120.51 133.09 2k06 n ALA 101 Ca 0.22 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 2k06 n ALA 101 Cb 0.47 -2.31 0.04 0.00 0.00 0.00 0.00 19.45 17.65 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 -1.84 2.93 0.21 0.00 0.04 -1.26 -4.78 135.00 130.30 2k06 s PRO 102 Ca 0.56 1.42 0.09 0.00 0.04 0.00 0.00 61.00 63.11 2k06 s PRO 102 Cb -0.54 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 2k06 s PRO 102 CO 0.62 -1.15 -0.18 0.96 0.04 0.00 0.00 177.00 177.29 2k06 s ILE 103 N -2.23 2.01 0.49 0.56 -4.36 -1.18 -5.06 121.20 111.43 2k06 s ILE 103 Ca 0.68 -2.16 -0.22 0.00 -0.26 0.00 0.00 60.65 58.69 2k06 s ILE 103 Cb -0.21 -2.06 -0.07 0.00 1.25 0.00 0.00 42.46 41.37 2k06 s ILE 103 CO 0.38 -0.42 1.14 -0.44 0.24 0.00 0.00 174.94 175.84 2k06 s SER 104 N -3.13 6.05 0.31 4.36 0.01 -1.26 -4.39 113.70 115.65 2k06 s SER 104 Ca 0.22 2.23 0.03 0.00 1.31 0.00 0.00 55.95 59.75 2k06 s SER 104 Cb -0.04 -2.59 0.63 0.00 0.21 0.00 0.00 66.02 64.23 2k06 s SER 104 CO 0.09 -0.99 1.86 0.44 0.41 0.00 0.00 173.24 175.05 2k06 h ASP 105 N 1.76 0.84 -0.98 2.44 3.32 -2.00 0.02 116.42 121.83 2k06 h ASP 105 Ca -0.50 0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.63 2k06 h ASP 105 Cb 1.25 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.61 2k06 h ASP 105 CO 0.59 0.46 0.64 0.50 -1.72 0.00 0.00 179.24 179.71 2k06 h LYS 106 N 0.91 1.20 -0.49 3.56 1.63 -2.00 -2.04 116.57 119.33 2k06 h LYS 106 Ca 0.46 -0.07 0.10 0.00 -0.85 0.00 0.00 60.65 60.28 2k06 h LYS 106 Cb 0.50 -0.27 -0.08 0.00 -0.60 0.00 0.00 32.23 31.78 2k06 h LYS 106 CO -0.22 0.79 -0.01 1.49 -3.45 0.00 0.00 179.45 178.05 2k06 h GLU 107 N 1.23 0.10 -0.64 1.90 4.57 -1.34 0.81 114.58 121.21 2k06 h GLU 107 Ca 0.39 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.61 2k06 h GLU 107 Cb 0.01 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 2k06 h GLU 107 CO -0.13 0.07 0.38 0.28 -1.18 0.00 0.00 179.01 178.43 2k06 h VAL 108 N 0.11 1.02 -0.82 0.32 2.07 -1.33 -1.47 116.25 116.15 2k06 h VAL 108 Ca 0.25 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k06 h VAL 108 Cb 0.37 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2k06 h VAL 108 CO -0.42 0.13 0.49 0.44 0.02 0.00 0.00 177.57 178.24 2k06 h ASP 109 N 0.72 0.99 0.19 0.57 3.32 -0.76 -2.38 116.42 119.06 2k06 h ASP 109 Ca 0.27 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2k06 h ASP 109 Cb 0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2k06 h ASP 109 CO -0.14 0.76 -0.15 0.00 -1.72 0.00 0.00 179.24 177.99 2k06 h ALA 110 N 1.27 -0.33 -0.31 3.45 0.00 0.06 0.22 119.26 123.62 2k06 h ALA 110 Ca 0.29 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2k06 h ALA 110 Cb -0.04 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2k06 h ALA 110 CO -0.06 -0.70 -0.29 0.82 0.00 0.00 0.00 179.25 179.02 2k06 h ILE 111 N -0.36 0.29 -0.89 0.00 2.04 -1.05 0.11 117.51 117.66 2k06 h ILE 111 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2k06 h ILE 111 Cb 0.32 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 2k06 h ILE 111 CO -0.02 0.00 0.59 0.24 0.00 0.00 0.00 178.15 178.96 2k06 h MET 112 N -0.27 1.14 -0.55 2.37 2.86 -1.13 -2.10 114.93 117.26 2k06 h MET 112 Ca 0.15 -0.07 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 2k06 h MET 112 Cb 0.51 -0.26 -0.08 0.00 0.06 0.00 0.00 31.60 31.84 2k06 h MET 112 CO -0.46 0.76 0.13 -0.91 1.06 0.00 0.00 176.91 177.49 2k06 h ASN 113 N 1.18 0.05 0.11 1.22 2.35 0.20 -1.86 115.58 118.83 2k06 h ASN 113 Ca 0.34 0.09 0.02 0.00 -0.55 0.00 0.00 56.30 56.20 2k06 h ASN 113 Cb -0.09 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2k06 h ASN 113 CO -0.08 0.04 -0.25 0.03 -1.65 0.00 0.00 177.43 175.52 2k06 h ARG 114 N 0.28 -0.43 -0.89 0.81 3.08 -0.59 -1.48 114.38 115.15 2k06 h ARG 114 Ca 0.28 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.60 2k06 h ARG 114 Cb 0.39 0.10 -0.14 0.00 0.08 0.00 0.00 29.97 30.40 2k06 h ARG 114 CO -0.35 -0.29 0.29 1.25 -1.07 0.00 0.00 179.97 179.81 2k06 h LEU 115 N -0.45 0.10 -2.35 3.04 5.85 -1.23 1.99 115.31 122.27 2k06 h LEU 115 Ca 0.03 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2k06 h LEU 115 Cb 0.48 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 2k06 h LEU 115 CO -0.15 -0.13 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.19 2k06 h GLN 116 N 0.24 0.00 -6.08 1.25 5.75 -0.77 -3.39 115.11 112.11 2k06 h GLN 116 Ca 0.57 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 58.47 2k06 h GLN 116 Cb 1.17 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.61 2k06 h GLN 116 CO -0.63 0.02 0.54 -1.14 -2.65 0.00 0.00 178.83 174.97 2k06 s GLN 117 N -4.07 3.51 0.57 1.69 0.74 0.68 -4.88 119.66 117.91 2k06 s GLN 117 Ca -0.03 0.12 0.38 0.00 0.05 0.00 0.00 55.36 55.88 2k06 s GLN 117 Cb 0.12 -3.93 1.86 0.00 1.10 0.00 0.00 33.01 32.17 2k06 s GLN 117 CO 0.49 -1.20 2.14 0.28 -0.55 0.00 0.00 175.29 176.45 2k06 h VAL 118 N 6.06 0.00 0.00 1.34 2.07 -1.79 -3.45 116.25 120.47 2k06 h VAL 118 Ca -0.24 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2k06 h VAL 118 Cb 1.08 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2k06 h VAL 118 CO 1.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.21 2k06 n GLY 119 N -0.62 0.67 3.72 2.17 0.00 -1.26 -5.03 105.19 104.83 2k06 n GLY 119 Ca -0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2k06 n GLY 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k06 s ASP 120 N -2.02 3.95 0.18 1.61 1.01 -1.26 -4.90 116.67 115.24 2k06 s ASP 120 Ca 0.00 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.50 2k06 s ASP 120 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2k06 s ASP 120 CO 0.00 -2.42 0.00 0.29 0.21 0.00 0.00 175.17 173.25 2k06 n LYS 121 N -3.17 0.00 0.11 8.23 5.02 -1.26 -4.92 118.16 122.17 2k06 n LYS 121 Ca 0.12 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.53 2k06 n LYS 121 Cb 0.51 0.00 0.46 0.00 -0.02 0.00 0.00 35.03 35.98 2k06 n LYS 121 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2k06 n PRO 122 N -2.86 0.18 0.00 1.97 -0.04 -1.26 -5.32 135.00 127.66 2k06 n PRO 122 Ca 0.00 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 2k06 n PRO 122 Cb 0.00 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2k06 n PRO 122 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00