#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 0.58 -3.86 7.83 0.02 -2.13 -3.42 113.55 112.57 2k06 h SER 2 Ca 0.00 0.01 -0.55 0.00 -0.84 0.00 0.00 61.79 60.41 2k06 h SER 2 Cb 0.00 -0.12 0.11 0.00 0.14 0.00 0.00 62.40 62.54 2k06 h SER 2 CO 0.00 0.36 0.72 -0.62 -1.14 0.00 0.00 176.83 176.16 2k06 n GLU 3 N -4.48 2.50 -1.56 3.45 -0.58 -1.26 -4.97 120.64 113.74 2k06 n GLU 3 Ca 0.11 0.88 -0.31 0.00 -0.42 0.00 0.00 57.16 57.42 2k06 n GLU 3 Cb 0.28 -2.62 0.06 0.00 -0.57 0.00 0.00 31.44 28.59 2k06 n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k06 s ALA 4 N -1.14 2.56 0.48 0.62 0.00 -1.26 -5.01 121.76 118.01 2k06 s ALA 4 Ca 0.55 0.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 2k06 s ALA 4 Cb -0.48 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 2k06 s ALA 4 CO 0.62 -1.37 1.15 -1.25 0.00 0.00 0.00 175.76 174.91 2k06 s PRO 5 N -5.07 3.68 -0.03 0.00 0.04 -1.26 -5.05 135.00 127.30 2k06 s PRO 5 Ca 0.59 1.71 0.06 0.00 0.04 0.00 0.00 61.00 63.40 2k06 s PRO 5 Cb -0.14 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 2k06 s PRO 5 CO 0.55 -0.60 -0.23 0.21 0.04 0.00 0.00 177.00 176.97 2k06 s LYS 6 N -2.84 2.03 -0.03 4.56 2.20 -1.26 -5.12 119.74 119.28 2k06 s LYS 6 Ca 0.66 -0.81 -0.19 0.00 -0.36 0.00 0.00 55.97 55.27 2k06 s LYS 6 Cb -0.27 -1.86 -0.05 0.00 -1.51 0.00 0.00 37.83 34.14 2k06 s LYS 6 CO 0.32 0.43 0.52 0.15 -0.36 0.00 0.00 175.35 176.41 2k06 s LYS 7 N -0.35 4.23 0.14 4.03 -0.14 -1.26 -4.69 119.74 121.69 2k06 s LYS 7 Ca 0.04 0.59 0.08 0.00 -1.36 0.00 0.00 55.97 55.32 2k06 s LYS 7 Cb -0.11 -3.33 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 2k06 s LYS 7 CO 0.01 0.40 -0.19 1.03 -0.76 0.00 0.00 175.35 175.84 2k06 s ARG 8 N -0.24 1.19 -0.17 1.68 0.52 -1.26 -4.94 118.95 115.73 2k06 s ARG 8 Ca 0.28 -1.29 -0.14 0.00 -0.52 0.00 0.00 55.73 54.06 2k06 s ARG 8 Cb -0.17 -1.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.93 2k06 s ARG 8 CO 0.15 0.28 0.29 -1.58 0.02 0.00 0.00 175.30 174.46 2k06 s TRP 9 N -1.67 3.44 0.12 -0.53 0.52 -1.26 0.05 118.94 119.61 2k06 s TRP 9 Ca 0.11 0.56 0.06 0.00 0.02 0.00 0.00 56.10 56.86 2k06 s TRP 9 Cb -0.08 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 2k06 s TRP 9 CO 0.05 0.21 -0.15 0.71 0.02 0.00 0.00 176.95 177.80 2k06 s TYR 10 N 0.57 1.43 -0.05 -1.98 2.02 -0.79 -3.40 117.35 115.15 2k06 s TYR 10 Ca 0.16 -0.54 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 2k06 s TYR 10 Cb -0.13 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 2k06 s TYR 10 CO 0.04 0.15 0.18 0.08 -1.57 0.00 0.00 175.55 174.43 2k06 s VAL 11 N -2.04 5.44 -0.14 0.71 1.01 -1.26 -1.26 120.40 122.85 2k06 s VAL 11 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2k06 s VAL 11 Cb -0.05 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2k06 s VAL 11 CO 0.03 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 2k06 s VAL 12 N -1.21 2.45 0.00 2.92 1.01 0.78 -3.12 120.40 123.24 2k06 s VAL 12 Ca 0.23 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 2k06 s VAL 12 Cb -0.13 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2k06 s VAL 12 CO 0.13 0.53 0.60 -1.58 0.00 0.00 0.00 175.10 174.78 2k06 s GLN 13 N 0.76 4.31 0.00 2.72 0.74 -0.75 -1.75 119.66 125.69 2k06 s GLN 13 Ca -0.07 0.74 0.00 0.00 0.05 0.00 0.00 55.36 56.08 2k06 s GLN 13 Cb -0.16 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.62 2k06 s GLN 13 CO 0.00 0.39 0.00 0.00 -0.55 0.00 0.00 175.29 175.13 2k06 n ALA 14 N 2.65 0.00 -2.75 1.58 0.00 0.50 -0.64 120.51 121.84 2k06 n ALA 14 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 2k06 n ALA 14 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 2k06 n ALA 14 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k06 s PHE 15 N -1.53 3.31 0.65 0.00 0.08 -1.23 -4.31 117.98 114.95 2k06 s PHE 15 Ca 0.00 0.30 -0.17 0.00 0.12 0.00 0.00 56.93 57.18 2k06 s PHE 15 Cb 0.00 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2k06 s PHE 15 CO 0.00 0.55 1.04 0.43 -0.10 0.00 0.00 175.22 177.14 2k06 n SER 16 N 2.11 0.96 0.00 1.36 7.64 -1.26 -2.11 113.62 122.33 2k06 n SER 16 Ca -0.19 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2k06 n SER 16 Cb 0.54 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2k06 n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k06 n GLY 17 N 1.16 2.50 0.07 0.23 0.00 -1.26 -4.60 105.19 103.29 2k06 n GLY 17 Ca 0.14 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.95 2k06 n GLY 17 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k06 n PHE 18 N 0.00 0.05 0.18 1.61 3.72 -0.90 -4.26 117.46 117.86 2k06 n PHE 18 Ca 0.00 -0.51 0.13 0.00 -0.05 0.00 0.00 57.45 57.02 2k06 n PHE 18 Cb 0.00 -0.05 0.69 0.00 -0.94 0.00 0.00 39.48 39.18 2k06 n PHE 18 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2k06 h GLU 19 N 0.22 0.00 0.04 -1.08 4.81 -1.69 0.17 114.58 117.04 2k06 h GLU 19 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k06 h GLU 19 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2k06 h GLU 19 CO 0.00 0.00 -0.02 0.78 -0.73 0.00 0.00 179.01 179.04 2k06 h GLY 20 N 0.00 -0.05 1.03 1.92 0.00 -1.89 -3.24 103.07 100.83 2k06 h GLY 20 Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.45 2k06 h GLY 20 CO -0.00 -0.02 0.63 -0.09 0.00 0.00 0.00 176.54 177.06 2k06 h ARG 21 N -0.93 1.23 -0.80 4.80 2.43 -1.79 -1.91 114.38 117.41 2k06 h ARG 21 Ca -0.01 -0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.25 2k06 h ARG 21 Cb 0.65 -0.28 -0.10 0.00 -0.42 0.00 0.00 29.97 29.82 2k06 h ARG 21 CO 0.01 0.81 0.33 0.28 -1.51 0.00 0.00 179.97 179.89 2k06 h VAL 22 N 1.27 0.61 -0.46 0.20 2.07 -0.77 0.34 116.25 119.51 2k06 h VAL 22 Ca 0.36 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.63 2k06 h VAL 22 Cb -0.11 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 2k06 h VAL 22 CO -0.09 0.08 -0.10 0.00 0.02 0.00 0.00 177.57 177.48 2k06 h ALA 23 N 1.59 0.64 -0.46 1.67 0.00 -1.38 -2.54 119.26 118.78 2k06 h ALA 23 Ca 0.46 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2k06 h ALA 23 Cb 0.74 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2k06 h ALA 23 CO -0.44 0.53 0.02 1.15 0.00 0.00 0.00 179.25 180.51 2k06 h THR 24 N 0.73 1.23 -0.56 0.00 2.02 -0.57 -2.53 112.91 113.23 2k06 h THR 24 Ca 0.12 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 2k06 h THR 24 Cb 0.65 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2k06 h THR 24 CO 0.04 0.32 0.08 0.28 0.37 0.00 0.00 175.52 176.62 2k06 h SER 25 N 0.69 0.85 0.37 4.18 0.02 -0.21 -3.11 113.55 116.34 2k06 h SER 25 Ca 0.14 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2k06 h SER 25 Cb 0.39 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2k06 h SER 25 CO 0.01 0.86 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.99 2k06 h LEU 26 N 0.85 -1.44 -0.83 5.07 3.38 -1.03 -1.91 115.31 119.39 2k06 h LEU 26 Ca 0.17 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.43 2k06 h LEU 26 Cb 0.39 0.50 -0.15 0.00 0.09 0.00 0.00 40.66 41.48 2k06 h LEU 26 CO 0.01 -0.63 -0.25 -0.09 0.09 0.00 0.00 178.44 177.57 2k06 h ARG 27 N -0.92 -0.02 -0.88 1.13 2.43 -1.52 0.77 114.38 115.38 2k06 h ARG 27 Ca -0.04 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.25 2k06 h ARG 27 Cb 0.83 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.30 2k06 h ARG 27 CO -0.14 -0.01 0.51 0.93 -1.51 0.00 0.00 179.97 179.74 2k06 h GLU 28 N -0.02 0.77 -0.06 0.20 5.08 -1.38 0.15 114.58 119.32 2k06 h GLU 28 Ca 0.38 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2k06 h GLU 28 Cb 0.61 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2k06 h GLU 28 CO -0.86 0.51 -0.32 0.45 -1.00 0.00 0.00 179.01 177.79 2k06 h HIS 29 N 0.79 0.13 0.17 4.33 3.86 0.12 -0.74 115.15 123.82 2k06 h HIS 29 Ca 0.45 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.62 2k06 h HIS 29 Cb 0.49 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2k06 h HIS 29 CO -0.05 0.43 -0.08 0.82 0.86 0.00 0.00 177.93 179.90 2k06 h ILE 30 N 0.10 0.95 -0.49 2.45 1.08 0.12 0.04 117.51 121.76 2k06 h ILE 30 Ca 0.01 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.71 2k06 h ILE 30 Cb 0.62 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 2k06 h ILE 30 CO 0.05 0.16 0.14 0.11 -0.69 0.00 0.00 178.15 177.92 2k06 h LYS 31 N -0.60 0.77 0.12 2.37 1.57 -1.22 1.21 116.57 120.79 2k06 h LYS 31 Ca -0.02 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2k06 h LYS 31 Cb 0.45 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2k06 h LYS 31 CO 0.04 0.73 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.53 2k06 h LEU 32 N 0.67 -0.13 -1.02 2.94 3.38 -1.13 -1.79 115.31 118.22 2k06 h LEU 32 Ca 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k06 h LEU 32 Cb 0.29 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k06 h LEU 32 CO -0.00 -0.07 0.00 1.41 0.09 0.00 0.00 178.44 179.86 2k06 n HIS 33 N -5.15 0.37 -3.91 1.13 8.25 -0.00 -4.90 115.22 111.01 2k06 n HIS 33 Ca -0.08 -0.18 -0.25 0.00 -0.26 0.00 0.00 57.72 56.94 2k06 n HIS 33 Cb 0.10 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 2k06 n HIS 33 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2k06 n ASN 34 N 0.29 -0.64 -1.36 0.41 5.03 0.26 -4.84 115.26 114.41 2k06 n ASN 34 Ca 0.09 -0.97 0.05 0.00 0.87 0.00 0.00 54.58 54.63 2k06 n ASN 34 Cb 0.24 -3.25 0.31 0.00 -1.02 0.00 0.00 39.78 36.06 2k06 n ASN 34 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2k06 n MET 35 N -4.38 3.55 0.08 3.52 2.81 0.35 -4.50 117.12 118.55 2k06 n MET 35 Ca -0.29 -3.00 0.08 0.00 -1.81 0.00 0.00 57.70 52.68 2k06 n MET 35 Cb 0.68 -2.02 0.37 0.00 -0.71 0.00 0.00 33.22 31.53 2k06 n MET 35 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2k06 n GLU 36 N -0.17 0.09 0.06 0.03 -0.58 -1.25 -2.11 120.64 116.71 2k06 n GLU 36 Ca 0.27 0.43 -0.12 0.00 -0.42 0.00 0.00 57.16 57.31 2k06 n GLU 36 Cb 1.07 -1.72 -0.09 0.00 -0.57 0.00 0.00 31.44 30.13 2k06 n GLU 36 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2k06 h ASP 37 N 0.00 -0.16 0.18 1.62 3.32 -1.94 -3.29 116.42 116.14 2k06 h ASP 37 Ca 0.00 -0.34 -0.25 0.00 0.02 0.00 0.00 57.03 56.47 2k06 h ASP 37 Cb 0.19 0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.80 2k06 h ASP 37 CO 0.00 0.29 -1.00 0.17 -1.72 0.00 0.00 179.24 176.98 2k06 h LEU 38 N -0.66 0.72 -9.78 1.55 8.10 -1.88 -3.44 115.31 109.91 2k06 h LEU 38 Ca -0.02 -0.58 -0.50 0.00 0.11 0.00 0.00 57.88 56.90 2k06 h LEU 38 Cb 0.49 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.49 2k06 h LEU 38 CO 0.03 1.38 0.42 -0.36 -4.11 0.00 0.00 178.44 175.80 2k06 s PHE 39 N -3.28 3.75 0.00 0.17 0.08 -0.90 -3.26 117.98 114.54 2k06 s PHE 39 Ca -0.08 1.79 0.00 0.00 0.12 0.00 0.00 56.93 58.76 2k06 s PHE 39 Cb 0.08 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 2k06 s PHE 39 CO 0.89 -0.13 0.00 0.41 -0.10 0.00 0.00 175.22 176.29 2k06 n GLY 40 N 1.33 0.27 3.18 4.36 0.00 0.24 -4.74 105.19 109.83 2k06 n GLY 40 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2k06 n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k06 s GLU 41 N 0.00 0.85 0.19 1.61 2.56 -1.26 -4.96 118.70 117.70 2k06 s GLU 41 Ca 0.00 -1.07 0.11 0.00 0.00 0.00 0.00 54.97 54.01 2k06 s GLU 41 Cb 0.00 -0.71 -0.04 0.00 2.00 0.00 0.00 34.13 35.37 2k06 s GLU 41 CO 0.00 0.14 -0.22 0.08 -0.56 0.00 0.00 175.26 174.70 2k06 s VAL 42 N -1.85 2.44 0.02 3.70 1.01 -1.26 -0.51 120.40 123.95 2k06 s VAL 42 Ca 0.02 -2.01 0.02 0.00 0.00 0.00 0.00 61.98 60.02 2k06 s VAL 42 Cb -0.07 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2k06 s VAL 42 CO 0.02 -0.13 -0.07 -0.04 0.00 0.00 0.00 175.10 174.88 2k06 s MET 43 N -2.71 0.50 -0.15 2.72 -1.94 0.40 -4.96 119.30 113.16 2k06 s MET 43 Ca 0.21 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.71 2k06 s MET 43 Cb -0.08 -0.38 0.02 0.00 2.01 0.00 0.00 34.83 36.40 2k06 s MET 43 CO 0.11 0.09 -0.17 0.08 -0.01 0.00 0.00 175.02 175.12 2k06 s VAL 44 N -0.77 1.74 -0.48 -6.03 1.01 -1.26 -1.25 120.40 113.35 2k06 s VAL 44 Ca -0.04 -0.75 0.24 0.00 0.00 0.00 0.00 61.98 61.43 2k06 s VAL 44 Cb -0.06 -1.59 0.25 0.00 0.00 0.00 0.00 36.38 34.97 2k06 s VAL 44 CO 0.00 0.49 1.71 -0.81 0.00 0.00 0.00 175.10 176.49 2k06 n PRO 45 N 4.55 0.20 -3.15 2.72 -0.04 -1.26 -4.75 135.00 133.27 2k06 n PRO 45 Ca -0.19 0.42 -0.26 0.00 -0.04 0.00 0.00 63.50 63.43 2k06 n PRO 45 Cb 0.50 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 2k06 n PRO 45 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k06 s THR 46 N -3.31 5.02 0.06 0.52 -4.23 -1.26 -5.05 115.64 107.39 2k06 s THR 46 Ca 0.04 -0.09 0.09 0.00 -1.18 0.00 0.00 61.69 60.56 2k06 s THR 46 Cb 0.09 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 2k06 s THR 46 CO 0.40 -0.57 -0.24 -1.61 -0.54 0.00 0.00 174.62 172.06 2k06 s GLU 47 N -4.18 1.78 0.10 3.99 2.02 -1.26 -5.11 118.70 116.04 2k06 s GLU 47 Ca 0.44 -1.13 0.10 0.00 0.02 0.00 0.00 54.97 54.39 2k06 s GLU 47 Cb -0.10 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 2k06 s GLU 47 CO 0.36 0.50 -0.24 -1.21 0.02 0.00 0.00 175.26 174.70 2k06 s GLU 48 N -1.49 1.62 -0.09 1.61 2.02 -1.26 -5.09 118.70 116.03 2k06 s GLU 48 Ca 0.13 -1.23 0.02 0.00 0.02 0.00 0.00 54.97 53.91 2k06 s GLU 48 Cb -0.10 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.16 2k06 s GLU 48 CO 0.04 0.48 -0.13 0.08 0.02 0.00 0.00 175.26 175.75 2k06 s VAL 49 N -1.01 1.28 -0.59 2.63 1.01 -1.26 -4.72 120.40 117.73 2k06 s VAL 49 Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2k06 s VAL 49 Cb -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2k06 s VAL 49 CO 0.06 0.39 0.00 0.52 0.00 0.00 0.00 175.10 176.07 2k06 n VAL 50 N 4.07 -0.15 -2.52 2.92 0.31 -1.26 -3.49 118.33 118.21 2k06 n VAL 50 Ca -0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 2k06 n VAL 50 Cb 0.51 -0.74 -0.02 0.00 -0.91 0.00 0.00 33.84 32.68 2k06 n VAL 50 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k06 n GLU 51 N -2.04 -4.36 -3.75 5.55 2.13 -1.26 -4.99 120.64 111.92 2k06 n GLU 51 Ca -0.07 3.24 -0.29 0.00 0.66 0.00 0.00 57.16 60.70 2k06 n GLU 51 Cb 0.38 -4.38 -0.15 0.00 0.27 0.00 0.00 31.44 27.55 2k06 n GLU 51 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2k06 s ILE 52 N -0.55 0.81 0.51 6.31 2.07 -1.23 -5.11 121.20 124.00 2k06 s ILE 52 Ca -0.15 -1.12 -0.20 0.00 -1.41 0.00 0.00 60.65 57.78 2k06 s ILE 52 Cb 0.01 -1.47 -0.11 0.00 0.13 0.00 0.00 42.46 41.02 2k06 s ILE 52 CO 0.40 -0.49 0.49 0.54 -1.91 0.00 0.00 174.94 173.97 2k06 n ARG 53 N 4.90 0.52 -4.19 3.50 1.74 -1.26 -4.97 116.66 116.90 2k06 n ARG 53 Ca -0.05 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.11 2k06 n ARG 53 Cb 0.44 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 2k06 n ARG 53 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2k06 s GLY 54 N -1.06 1.29 0.00 -0.13 0.00 -1.26 -4.85 107.32 101.31 2k06 s GLY 54 Ca 0.66 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2k06 s GLY 54 CO 0.57 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.88 2k06 n GLY 55 N -0.21 0.47 0.35 0.20 0.00 -1.26 -4.59 105.19 100.15 2k06 n GLY 55 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2k06 n GLY 55 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k06 h GLN 56 N 3.93 0.59 -6.67 1.61 4.20 -1.92 -3.41 115.11 113.43 2k06 h GLN 56 Ca 0.00 -0.04 -0.65 0.00 0.06 0.00 0.00 58.65 58.02 2k06 h GLN 56 Cb 0.00 -0.13 -0.22 0.00 0.30 0.00 0.00 27.48 27.43 2k06 h GLN 56 CO 0.00 0.39 -0.86 1.03 -0.67 0.00 0.00 178.83 178.72 2k06 s ARG 57 N -5.55 1.34 0.50 1.46 0.52 -1.26 -5.01 118.95 110.96 2k06 s ARG 57 Ca -0.09 -1.27 0.19 0.00 -0.52 0.00 0.00 55.73 54.04 2k06 s ARG 57 Cb 0.19 -1.75 1.25 0.00 0.52 0.00 0.00 34.95 35.16 2k06 s ARG 57 CO 0.76 0.42 2.05 0.00 0.02 0.00 0.00 175.30 178.54 2k06 h ARG 58 N 4.01 0.11 -6.65 3.54 3.08 -2.03 -3.40 114.38 113.04 2k06 h ARG 58 Ca -0.49 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.03 2k06 h ARG 58 Cb 1.17 -0.03 0.03 0.00 0.08 0.00 0.00 29.97 31.23 2k06 h ARG 58 CO 0.40 0.08 0.69 0.21 -1.07 0.00 0.00 179.97 180.27 2k06 s LYS 59 N -5.14 4.35 -0.08 0.04 2.20 -1.26 -5.01 119.74 114.84 2k06 s LYS 59 Ca -0.06 2.10 0.01 0.00 -0.36 0.00 0.00 55.97 57.66 2k06 s LYS 59 Cb 0.19 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2k06 s LYS 59 CO 0.71 -0.34 -0.08 0.45 -0.36 0.00 0.00 175.35 175.74 2k06 s SER 60 N 0.58 4.51 0.38 1.43 0.15 -1.26 -4.87 113.70 114.62 2k06 s SER 60 Ca 0.60 -0.09 0.11 0.00 0.70 0.00 0.00 55.95 57.26 2k06 s SER 60 Cb -0.37 -1.25 0.75 0.00 -1.71 0.00 0.00 66.02 63.44 2k06 s SER 60 CO 0.36 0.32 1.87 -0.33 1.20 0.00 0.00 173.24 176.66 2k06 h GLU 61 N 5.59 0.13 -4.82 5.44 5.08 -1.96 -3.41 114.58 120.64 2k06 h GLU 61 Ca -0.44 -0.04 -0.53 0.00 -1.00 0.00 0.00 59.36 57.35 2k06 h GLU 61 Cb 1.18 -0.01 -0.33 0.00 0.50 0.00 0.00 28.75 30.09 2k06 h GLU 61 CO 0.54 0.38 -0.82 1.03 -1.00 0.00 0.00 179.01 179.14 2k06 s ARG 62 N -4.46 1.75 -0.33 2.33 0.52 -1.26 -5.01 118.95 112.48 2k06 s ARG 62 Ca -0.04 -0.49 0.08 0.00 -0.52 0.00 0.00 55.73 54.75 2k06 s ARG 62 Cb 0.15 -1.46 0.57 0.00 0.52 0.00 0.00 34.95 34.73 2k06 s ARG 62 CO 0.73 0.11 1.62 1.63 0.02 0.00 0.00 175.30 179.40 2k06 n LYS 63 N 3.56 2.12 -4.24 3.54 5.02 -1.26 -4.93 118.16 121.97 2k06 n LYS 63 Ca -0.21 -3.11 -0.34 0.00 -2.02 0.00 0.00 58.31 52.63 2k06 n LYS 63 Cb 0.52 -1.95 -0.11 0.00 -0.02 0.00 0.00 35.03 33.47 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 -3.23 3.11 -0.99 2.13 0.08 -1.26 -4.62 117.98 113.20 2k06 s PHE 64 Ca 0.49 -0.17 -0.08 0.00 0.12 0.00 0.00 56.93 57.28 2k06 s PHE 64 Cb 0.43 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 2k06 s PHE 64 CO 0.04 0.02 0.83 1.19 -0.10 0.00 0.00 175.22 177.20 2k06 n PHE 65 N 3.58 -2.43 -2.08 0.36 3.01 -1.26 -4.83 117.46 113.81 2k06 n PHE 65 Ca -0.17 0.82 -0.33 0.00 1.01 0.00 0.00 57.45 58.79 2k06 n PHE 65 Cb 0.52 -3.90 -0.04 0.00 -0.01 0.00 0.00 39.48 36.05 2k06 n PHE 65 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2k06 s PRO 66 N -4.48 2.65 -0.29 -1.08 0.04 -1.26 -2.95 135.00 127.63 2k06 s PRO 66 Ca 0.34 0.07 -0.00 0.00 0.04 0.00 0.00 61.00 61.44 2k06 s PRO 66 Cb -0.07 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.72 2k06 s PRO 66 CO 0.78 -3.01 0.05 0.41 0.04 0.00 0.00 177.00 175.26 2k06 n GLY 67 N 6.31 0.33 3.28 0.56 0.00 -1.26 -4.55 105.19 109.86 2k06 n GLY 67 Ca 0.30 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.37 3.08 0.11 1.61 1.51 -1.15 0.19 117.35 120.33 2k06 s TYR 68 Ca 0.02 -1.18 0.07 0.00 -1.01 0.00 0.00 57.07 54.98 2k06 s TYR 68 Cb -0.01 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 2k06 s TYR 68 CO 0.03 -0.62 -0.18 0.08 -1.11 0.00 0.00 175.55 173.75 2k06 s VAL 69 N 1.43 1.54 -0.17 0.71 1.01 -0.72 -4.31 120.40 119.90 2k06 s VAL 69 Ca 0.02 -1.60 -0.05 0.00 0.00 0.00 0.00 61.98 60.35 2k06 s VAL 69 Cb -0.16 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2k06 s VAL 69 CO -0.01 -0.21 -0.01 -0.76 0.00 0.00 0.00 175.10 174.10 2k06 s LEU 70 N -2.13 3.35 -0.04 3.92 1.02 -0.38 -0.16 118.68 124.26 2k06 s LEU 70 Ca 0.07 -0.11 -0.01 0.00 0.02 0.00 0.00 54.13 54.11 2k06 s LEU 70 Cb -0.08 -1.82 0.03 0.00 0.02 0.00 0.00 46.19 44.34 2k06 s LEU 70 CO 0.04 0.15 0.03 -0.69 0.02 0.00 0.00 176.35 175.90 2k06 s VAL 71 N 0.47 0.05 -0.20 -1.59 1.01 -0.39 0.15 120.40 119.91 2k06 s VAL 71 Ca -0.02 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2k06 s VAL 71 Cb -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2k06 s VAL 71 CO 0.02 0.16 1.13 -1.58 0.00 0.00 0.00 175.10 174.83 2k06 s GLN 72 N 1.55 4.25 -0.16 2.72 0.74 0.33 -1.89 119.66 127.21 2k06 s GLN 72 Ca -0.03 1.48 -0.30 0.00 0.05 0.00 0.00 55.36 56.57 2k06 s GLN 72 Cb -0.13 -3.69 0.12 0.00 1.10 0.00 0.00 33.01 30.42 2k06 s GLN 72 CO -0.03 -0.65 0.97 1.41 -0.55 0.00 0.00 175.29 176.44 2k06 s MET 73 N 3.29 0.63 -0.08 1.67 1.75 0.11 -0.59 119.30 126.07 2k06 s MET 73 Ca 0.48 0.19 -0.25 0.00 -1.25 0.00 0.00 55.69 54.87 2k06 s MET 73 Cb -0.18 0.30 -0.03 0.00 2.84 0.00 0.00 34.83 37.76 2k06 s MET 73 CO 0.10 -0.19 0.76 0.08 -0.65 0.00 0.00 175.02 175.12 2k06 s VAL 74 N -1.01 4.99 -0.34 10.11 1.01 -1.20 -4.18 120.40 129.78 2k06 s VAL 74 Ca -0.02 1.55 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 2k06 s VAL 74 Cb -0.01 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2k06 s VAL 74 CO 0.02 0.19 2.01 -0.04 0.00 0.00 0.00 175.10 177.28 2k06 s MET 75 N 1.12 3.04 0.43 2.72 -1.94 -1.26 -4.86 119.30 118.56 2k06 s MET 75 Ca 0.39 1.53 0.03 0.00 -1.71 0.00 0.00 55.69 55.94 2k06 s MET 75 Cb -0.18 -4.32 -0.01 0.00 2.01 0.00 0.00 34.83 32.33 2k06 s MET 75 CO 0.18 -2.20 0.12 0.27 -0.01 0.00 0.00 175.02 173.38 2k06 n ASN 76 N 11.68 1.61 0.20 3.03 6.94 -1.26 -4.99 115.26 132.48 2k06 n ASN 76 Ca 0.26 -3.21 0.09 0.00 -0.02 0.00 0.00 54.58 51.70 2k06 n ASN 76 Cb 0.48 0.93 0.31 0.00 -2.36 0.00 0.00 39.78 39.14 2k06 n ASN 76 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2k06 h ASP 77 N 1.58 0.00 0.00 0.53 3.32 -1.99 -2.55 116.42 117.31 2k06 h ASP 77 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 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 0.54 0.24 -0.03 0.00 -1.72 0.00 0.00 179.24 178.27 2k06 h ALA 78 N 1.76 0.00 -0.53 3.45 0.00 -1.96 -2.98 119.26 119.00 2k06 h ALA 78 Ca -0.00 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2k06 h ALA 78 Cb 0.94 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 2k06 h ALA 78 CO 0.03 0.03 -0.11 0.66 0.00 0.00 0.00 179.25 179.86 2k06 h SER 79 N -0.29 -0.46 0.15 0.00 4.64 -1.89 0.64 113.55 116.35 2k06 h SER 79 Ca 0.00 0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2k06 h SER 79 Cb 0.03 0.31 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 2k06 h SER 79 CO 0.00 -0.16 -0.51 -0.25 -0.87 0.00 0.00 176.83 175.03 2k06 h TRP 80 N 0.01 -1.48 -0.82 4.77 7.01 -1.63 0.56 115.95 124.38 2k06 h TRP 80 Ca 0.26 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.33 2k06 h TRP 80 Cb 0.39 0.62 -0.05 0.00 -2.10 0.00 0.00 29.16 28.03 2k06 h TRP 80 CO -0.43 -0.60 0.54 1.25 -2.79 0.00 0.00 178.44 176.42 2k06 h HIS 81 N -0.76 0.99 -0.60 2.65 2.76 -1.18 -1.33 115.15 117.68 2k06 h HIS 81 Ca -0.01 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 2k06 h HIS 81 Cb 0.76 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.36 2k06 h HIS 81 CO -0.43 0.58 0.17 1.25 -1.30 0.00 0.00 177.93 178.20 2k06 h LEU 82 N 1.03 0.84 -0.14 0.26 5.85 0.16 -2.78 115.31 120.53 2k06 h LEU 82 Ca 0.32 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2k06 h LEU 82 Cb 0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2k06 h LEU 82 CO -0.09 0.80 -0.04 0.58 -0.34 0.00 0.00 178.44 179.35 2k06 h VAL 83 N 0.88 0.83 -0.89 1.05 2.07 0.12 -1.69 116.25 118.62 2k06 h VAL 83 Ca 0.19 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.82 2k06 h VAL 83 Cb 0.28 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 2k06 h VAL 83 CO -0.01 0.00 0.53 -0.09 0.02 0.00 0.00 177.57 178.02 2k06 h ARG 84 N -0.02 0.84 -0.52 1.57 2.43 -1.33 0.96 114.38 118.33 2k06 h ARG 84 Ca 0.07 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.27 2k06 h ARG 84 Cb 0.12 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2k06 h ARG 84 CO -0.16 0.56 0.35 1.03 -1.51 0.00 0.00 179.97 180.24 2k06 h SER 85 N 0.87 0.33 -2.46 -3.80 0.87 -1.09 -3.41 113.55 104.86 2k06 h SER 85 Ca 0.43 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.47 2k06 h SER 85 Cb 0.40 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2k06 h SER 85 CO -0.25 0.21 1.17 -0.69 -0.53 0.00 0.00 176.83 176.73 2k06 s VAL 86 N -5.35 2.91 0.73 2.23 1.01 0.33 -4.95 120.40 117.30 2k06 s VAL 86 Ca -0.07 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 2k06 s VAL 86 Cb 0.19 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.53 2k06 s VAL 86 CO 0.74 -0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.77 2k06 s PRO 87 N 3.79 2.51 -1.07 2.72 0.04 -1.26 -3.91 135.00 137.82 2k06 s PRO 87 Ca 0.84 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 63.07 2k06 s PRO 87 Cb -0.43 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2k06 s PRO 87 CO 0.38 -1.46 0.91 0.54 0.04 0.00 0.00 177.00 177.42 2k06 n ARG 88 N -3.10 -6.09 -3.87 4.56 1.74 -1.26 -4.88 116.66 103.75 2k06 n ARG 88 Ca 0.09 0.71 -0.26 0.00 -0.77 0.00 0.00 57.85 57.62 2k06 n ARG 88 Cb 0.53 -5.35 -0.17 0.00 -1.02 0.00 0.00 32.46 26.44 2k06 n ARG 88 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2k06 s VAL 89 N -3.29 0.88 0.08 1.55 1.01 -1.25 -3.53 120.40 115.84 2k06 s VAL 89 Ca 0.21 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 2k06 s VAL 89 Cb -0.09 -0.97 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 2k06 s VAL 89 CO 0.62 0.29 1.42 0.24 0.00 0.00 0.00 175.10 177.67 2k06 h MET 90 N 8.20 0.54 0.00 2.72 2.86 -1.10 -3.47 114.93 124.67 2k06 h MET 90 Ca -0.26 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 2k06 h MET 90 Cb 1.13 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2k06 h MET 90 CO 0.37 0.82 0.00 0.41 1.06 0.00 0.00 176.91 179.57 2k06 n GLY 91 N 0.04 -0.50 3.72 8.32 0.00 -1.17 -5.01 105.19 110.59 2k06 n GLY 91 Ca -0.04 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.82 2.71 -0.19 1.61 0.08 -1.26 -1.81 117.98 115.31 2k06 s PHE 92 Ca 0.00 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2k06 s PHE 92 Cb 0.00 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.90 2k06 s PHE 92 CO 0.00 0.39 -0.17 0.42 -0.10 0.00 0.00 175.22 175.76 2k06 s ILE 93 N -2.41 2.31 -0.33 0.64 -1.09 -1.18 -4.81 121.20 114.32 2k06 s ILE 93 Ca 0.37 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 2k06 s ILE 93 Cb -0.03 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 2k06 s ILE 93 CO 0.22 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 2k06 n GLY 94 N 4.62 -0.80 0.28 6.18 0.00 -1.26 -4.34 105.19 109.87 2k06 n GLY 94 Ca -0.20 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 0.99 -2.14 -0.02 0.00 -1.89 -3.45 103.07 96.57 2k06 h GLY 95 Ca 0.00 -0.82 -0.39 0.00 0.00 0.00 0.00 47.33 46.12 2k06 h GLY 95 CO 0.00 0.75 -0.51 -1.08 0.00 0.00 0.00 176.54 175.70 2k06 s THR 96 N -4.73 0.00 -0.82 4.70 -1.32 -1.25 -5.02 115.64 107.19 2k06 s THR 96 Ca -0.10 -1.97 0.10 0.00 -1.21 0.00 0.00 61.69 58.50 2k06 s THR 96 Cb 0.13 -2.50 0.50 0.00 -1.51 0.00 0.00 72.50 69.12 2k06 s THR 96 CO 0.85 0.00 1.31 -1.54 -2.21 0.00 0.00 174.62 173.03 2k06 n SER 97 N -1.18 3.72 0.00 8.08 3.41 -1.26 -3.72 113.62 122.68 2k06 n SER 97 Ca 0.06 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 2k06 n SER 97 Cb 0.63 -0.56 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 0.49 1.99 -3.15 4.04 8.00 -1.26 -4.79 116.55 121.87 2k06 n ASP 98 Ca 0.17 -0.26 0.04 0.00 0.71 0.00 0.00 54.79 55.45 2k06 n ASP 98 Cb 0.76 0.91 -0.00 0.00 -0.02 0.00 0.00 41.12 42.78 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 -1.31 0.54 -0.06 -1.24 3.52 -1.24 -5.11 118.95 114.04 2k06 s ARG 99 Ca 0.00 0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.76 2k06 s ARG 99 Cb 0.00 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.56 2k06 s ARG 99 CO 0.00 -0.99 1.59 -1.25 -0.81 0.00 0.00 175.30 173.85 2k06 s PRO 100 N 2.77 4.19 0.33 5.12 0.04 -1.26 -3.88 135.00 142.31 2k06 s PRO 100 Ca 0.12 2.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 2k06 s PRO 100 Cb -0.09 -3.92 -0.11 0.00 0.04 0.00 0.00 34.50 30.43 2k06 s PRO 100 CO -0.24 -0.81 1.44 0.00 0.04 0.00 0.00 177.00 177.43 2k06 s ALA 101 N 3.82 3.59 0.62 8.56 0.00 -1.26 -4.87 121.76 132.22 2k06 s ALA 101 Ca 0.71 1.44 -0.16 0.00 0.00 0.00 0.00 51.96 53.94 2k06 s ALA 101 Cb -0.32 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 2k06 s ALA 101 CO 0.28 -0.87 1.11 -1.25 0.00 0.00 0.00 175.76 175.02 2k06 s PRO 102 N -1.44 3.02 0.18 0.00 0.04 -1.26 -4.84 135.00 130.70 2k06 s PRO 102 Ca 0.54 1.41 0.09 0.00 0.04 0.00 0.00 61.00 63.09 2k06 s PRO 102 Cb -0.44 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2k06 s PRO 102 CO 0.54 -1.08 -0.18 0.96 0.04 0.00 0.00 177.00 177.28 2k06 s ILE 103 N -2.22 1.92 0.54 0.56 -4.36 -1.22 -5.04 121.20 111.38 2k06 s ILE 103 Ca 0.68 -2.02 -0.19 0.00 -0.26 0.00 0.00 60.65 58.86 2k06 s ILE 103 Cb -0.20 -1.94 -0.06 0.00 1.25 0.00 0.00 42.46 41.51 2k06 s ILE 103 CO 0.37 -0.34 1.09 -0.44 0.24 0.00 0.00 174.94 175.86 2k06 s SER 104 N -2.84 5.86 0.27 4.36 0.01 -1.26 -4.30 113.70 115.80 2k06 s SER 104 Ca 0.18 2.03 -0.01 0.00 1.31 0.00 0.00 55.95 59.47 2k06 s SER 104 Cb -0.05 -2.57 0.49 0.00 0.21 0.00 0.00 66.02 64.11 2k06 s SER 104 CO 0.08 -1.11 1.82 0.44 0.41 0.00 0.00 173.24 174.88 2k06 h ASP 105 N 1.10 0.82 -0.88 2.44 3.32 -1.98 0.27 116.42 121.51 2k06 h ASP 105 Ca -0.49 0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.63 2k06 h ASP 105 Cb 1.24 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.63 2k06 h ASP 105 CO 0.57 0.45 0.58 0.50 -1.72 0.00 0.00 179.24 179.62 2k06 h LYS 106 N 0.91 1.11 -0.59 3.56 3.64 -2.00 -1.90 116.57 121.29 2k06 h LYS 106 Ca 0.46 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.80 2k06 h LYS 106 Cb 0.44 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2k06 h LYS 106 CO -0.26 0.73 0.37 0.93 -2.27 0.00 0.00 179.45 178.95 2k06 h GLU 107 N 1.14 0.71 -0.96 1.90 4.39 -1.30 -1.27 114.58 119.20 2k06 h GLU 107 Ca 0.34 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.05 2k06 h GLU 107 Cb -0.05 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.38 2k06 h GLU 107 CO -0.09 0.47 0.62 0.28 -1.16 0.00 0.00 179.01 179.13 2k06 h VAL 108 N 0.73 1.11 -0.55 3.13 2.07 -1.08 -0.60 116.25 121.07 2k06 h VAL 108 Ca 0.24 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 2k06 h VAL 108 Cb 0.01 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.62 2k06 h VAL 108 CO -0.09 0.21 -0.02 0.44 0.02 0.00 0.00 177.57 178.13 2k06 h ASP 109 N 1.15 0.96 -0.43 0.57 3.32 -1.01 -2.81 116.42 118.18 2k06 h ASP 109 Ca 0.40 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2k06 h ASP 109 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2k06 h ASP 109 CO -0.14 1.05 0.16 0.00 -1.72 0.00 0.00 179.24 178.59 2k06 h ALA 110 N 0.95 0.55 -0.29 3.45 0.00 -0.27 -2.02 119.26 121.64 2k06 h ALA 110 Ca 0.15 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2k06 h ALA 110 Cb 0.56 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 2k06 h ALA 110 CO 0.03 0.17 -0.15 0.82 0.00 0.00 0.00 179.25 180.12 2k06 h ILE 111 N 0.54 0.54 -0.86 0.00 2.04 -0.99 0.20 117.51 118.98 2k06 h ILE 111 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.03 2k06 h ILE 111 Cb 0.21 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2k06 h ILE 111 CO -0.01 0.00 0.56 0.24 0.00 0.00 0.00 178.15 178.94 2k06 h MET 112 N -0.12 1.04 -0.70 2.37 2.86 -1.30 -0.95 114.93 118.14 2k06 h MET 112 Ca 0.15 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.81 2k06 h MET 112 Cb 0.35 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 2k06 h MET 112 CO -0.36 0.69 0.46 -0.91 1.06 0.00 0.00 176.91 177.85 2k06 h ASN 113 N 1.07 0.57 -0.68 1.22 2.35 -0.23 -1.32 115.58 118.57 2k06 h ASN 113 Ca 0.34 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 56.20 2k06 h ASN 113 Cb 0.02 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.20 2k06 h ASN 113 CO -0.10 0.36 0.30 0.03 -1.65 0.00 0.00 177.43 176.37 2k06 h ARG 114 N 0.64 0.49 -0.86 0.81 3.08 -0.47 -1.04 114.38 117.03 2k06 h ARG 114 Ca 0.31 -0.03 0.22 0.00 0.07 0.00 0.00 59.98 60.55 2k06 h ARG 114 Cb 0.38 -0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.17 2k06 h ARG 114 CO -0.11 0.33 0.04 1.25 -1.07 0.00 0.00 179.97 180.41 2k06 h LEU 115 N 0.51 -0.35 -2.30 3.04 5.85 -1.29 2.02 115.31 122.78 2k06 h LEU 115 Ca 0.34 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 59.29 2k06 h LEU 115 Cb 0.41 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2k06 h LEU 115 CO -0.30 -0.24 -0.01 1.56 -0.34 0.00 0.00 178.44 179.11 2k06 h GLN 116 N 0.09 0.00 -6.10 1.25 4.20 -1.29 -3.40 115.11 109.86 2k06 h GLN 116 Ca 0.50 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.64 2k06 h GLN 116 Cb 0.95 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 2k06 h GLN 116 CO -0.76 0.01 0.36 -1.14 -0.67 0.00 0.00 178.83 176.63 2k06 s GLN 117 N -4.73 4.39 0.37 1.46 0.74 0.69 -4.92 119.66 117.65 2k06 s GLN 117 Ca -0.05 1.13 0.09 0.00 0.05 0.00 0.00 55.36 56.58 2k06 s GLN 117 Cb 0.16 -3.52 0.71 0.00 1.10 0.00 0.00 33.01 31.46 2k06 s GLN 117 CO 0.59 -0.20 1.87 0.28 -0.55 0.00 0.00 175.29 177.27 2k06 h VAL 118 N 5.02 1.21 0.00 1.34 2.07 -1.79 -3.46 116.25 120.64 2k06 h VAL 118 Ca -0.34 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2k06 h VAL 118 Cb 1.16 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2k06 h VAL 118 CO 0.81 0.29 0.00 0.61 0.02 0.00 0.00 177.57 179.30 2k06 n GLY 119 N -0.71 1.02 0.37 2.17 0.00 -1.26 -4.91 105.19 101.86 2k06 n GLY 119 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2k06 n GLY 119 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k06 h ASP 120 N 0.00 0.96 -3.86 1.61 3.32 -1.99 -3.41 116.42 113.06 2k06 h ASP 120 Ca 0.00 0.03 -0.49 0.00 0.02 0.00 0.00 57.03 56.59 2k06 h ASP 120 Cb 0.00 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2k06 h ASP 120 CO 0.00 0.56 0.41 -0.54 -1.72 0.00 0.00 179.24 177.95 2k06 s LYS 121 N -5.97 4.53 0.44 3.56 1.02 -1.26 -5.01 119.74 117.04 2k06 s LYS 121 Ca -0.12 1.59 -0.24 0.00 0.02 0.00 0.00 55.97 57.22 2k06 s LYS 121 Cb 0.21 -2.95 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 2k06 s LYS 121 CO 0.81 0.17 1.17 -1.25 -0.92 0.00 0.00 175.35 175.33 2k06 s PRO 122 N -1.81 3.86 0.00 -1.68 0.04 -1.26 -5.11 135.00 129.04 2k06 s PRO 122 Ca 0.49 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2k06 s PRO 122 Cb -0.26 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2k06 s PRO 122 CO 0.33 -0.47 0.00 0.54 0.04 0.00 0.00 177.00 177.44