#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d04 s GLN 11 N 0.00 4.11 -0.04 -1.46 -0.21 -1.26 -3.26 119.66 117.53 3d04 s GLN 11 Ca 0.00 -0.10 0.07 0.00 0.02 0.00 0.00 55.36 55.34 3d04 s GLN 11 Cb 0.00 -3.54 -0.01 0.00 1.00 0.00 0.00 33.01 30.46 3d04 s GLN 11 CO 0.00 0.02 -0.25 -0.06 -2.12 0.00 0.00 175.29 172.88 3d04 s PHE 12 N 1.16 2.36 0.43 0.91 0.40 -0.05 -4.99 117.98 118.20 3d04 s PHE 12 Ca 0.12 -0.60 0.08 0.00 -0.60 0.00 0.00 56.93 55.92 3d04 s PHE 12 Cb -0.14 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 3d04 s PHE 12 CO 0.06 -0.15 0.44 -0.06 0.70 0.00 0.00 175.22 176.21 3d04 s PHE 13 N -0.33 2.60 0.32 0.36 0.40 -1.26 -0.81 117.98 119.26 3d04 s PHE 13 Ca 0.02 -0.51 0.11 0.00 -0.60 0.00 0.00 56.93 55.94 3d04 s PHE 13 Cb -0.12 -2.20 0.94 0.00 0.51 0.00 0.00 43.02 42.15 3d04 s PHE 13 CO 0.02 -0.25 1.70 0.97 0.70 0.00 0.00 175.22 178.36 3d04 h ILE 14 N 0.90 0.45 -0.93 0.64 6.09 -1.92 0.11 117.51 122.85 3d04 h ILE 14 Ca -0.40 -0.16 0.01 0.00 -1.37 0.00 0.00 64.86 62.93 3d04 h ILE 14 Cb 1.27 -0.07 -0.05 0.00 0.47 0.00 0.00 36.82 38.45 3d04 h ILE 14 CO 0.54 0.09 0.60 -0.33 -3.07 0.00 0.00 178.15 175.98 3d04 h GLU 15 N 0.47 1.23 -0.16 2.19 3.07 -1.95 0.39 114.58 119.82 3d04 h GLU 15 Ca 0.67 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 59.37 3d04 h GLU 15 Cb 1.36 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 3d04 h GLU 15 CO -0.53 0.82 -0.17 0.45 -1.40 0.00 0.00 179.01 178.18 3d04 h HIS 16 N 1.26 0.49 -0.35 4.33 3.86 -1.20 -3.11 115.15 120.43 3d04 h HIS 16 Ca 0.34 -0.15 0.06 0.00 -1.16 0.00 0.00 60.37 59.46 3d04 h HIS 16 Cb -0.13 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.19 3d04 h HIS 16 CO 0.00 0.79 0.04 0.82 0.86 0.00 0.00 177.93 180.44 3d04 h ILE 17 N 0.04 0.78 -0.48 2.45 2.04 -0.87 -2.21 117.51 119.27 3d04 h ILE 17 Ca 0.02 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 65.94 3d04 h ILE 17 Cb 0.71 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3d04 h ILE 17 CO 0.04 0.03 0.33 -0.07 0.00 0.00 0.00 178.15 178.48 3d04 h LEU 18 N 0.14 0.15 -0.26 1.44 3.38 -0.96 -0.02 115.31 119.18 3d04 h LEU 18 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3d04 h LEU 18 Cb 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3d04 h LEU 18 CO -0.25 0.09 -0.23 1.56 0.09 0.00 0.00 178.44 179.69 3d04 h GLN 19 N 0.16 0.00 0.00 1.13 4.20 -1.33 -3.38 115.11 115.89 3d04 h GLN 19 Ca 0.22 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.58 3d04 h GLN 19 Cb 0.67 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 3d04 h GLN 19 CO -0.03 0.23 -2.00 -0.89 -0.67 0.00 0.00 178.83 175.47 3d04 n ILE 20 N -3.19 1.53 -3.20 2.54 2.08 -0.55 -4.54 119.36 114.04 3d04 n ILE 20 Ca 0.02 -0.23 -0.39 0.00 0.56 0.00 0.00 62.75 62.72 3d04 n ILE 20 Cb 0.58 -1.97 -0.06 0.00 -0.75 0.00 0.00 39.64 37.44 3d04 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3d04 s LEU 21 N -7.67 4.52 0.18 1.39 1.43 -0.13 -4.85 118.68 113.55 3d04 s LEU 21 Ca -0.34 1.32 0.26 0.00 -1.03 0.00 0.00 54.13 54.34 3d04 s LEU 21 Cb 0.11 -2.99 0.89 0.00 0.03 0.00 0.00 46.19 44.23 3d04 s LEU 21 CO 0.51 0.22 1.78 -0.81 0.23 0.00 0.00 176.35 178.29 3d04 n PRO 22 N 1.93 0.21 -1.83 1.29 -0.04 -1.26 -4.67 135.00 130.63 3d04 n PRO 22 Ca -0.09 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 3d04 n PRO 22 Cb 0.50 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 3d04 n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3d04 s HIS 23 N -3.11 2.74 0.39 0.54 3.76 -1.26 -5.03 115.29 113.33 3d04 s HIS 23 Ca 0.10 0.97 0.04 0.00 -0.15 0.00 0.00 55.06 56.03 3d04 s HIS 23 Cb 0.13 -4.00 -0.03 0.00 1.11 0.00 0.00 32.58 29.79 3d04 s HIS 23 CO 0.56 -3.19 0.14 1.03 -0.85 0.00 0.00 174.74 172.43 3d04 s ARG 24 N -1.09 1.89 0.33 1.40 1.81 -1.26 -4.63 118.95 117.40 3d04 s ARG 24 Ca 0.58 -2.14 -0.29 0.00 -1.72 0.00 0.00 55.73 52.17 3d04 s ARG 24 Cb -0.46 -0.51 -0.12 0.00 -0.45 0.00 0.00 34.95 33.41 3d04 s ARG 24 CO 0.53 -0.49 1.37 0.98 -0.68 0.00 0.00 175.30 177.01 3d04 n TYR 25 N -0.86 2.43 -1.28 -0.53 4.19 -1.26 -0.08 117.16 119.77 3d04 n TYR 25 Ca -0.04 0.49 -0.32 0.00 3.31 0.00 0.00 57.90 61.34 3d04 n TYR 25 Cb 0.65 -2.46 0.09 0.00 0.49 0.00 0.00 39.34 38.11 3d04 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3d04 n PRO 26 N 0.90 2.57 -0.00 2.98 -0.04 -1.26 -4.91 135.00 135.24 3d04 n PRO 26 Ca 0.06 -3.12 0.00 0.00 -0.04 0.00 0.00 63.50 60.40 3d04 n PRO 26 Cb 0.36 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3d04 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3d04 n MET 27 N -0.85 2.05 -3.10 0.54 2.81 0.89 -4.95 117.12 114.50 3d04 n MET 27 Ca 0.60 -1.20 -0.43 0.00 -1.81 0.00 0.00 57.70 54.85 3d04 n MET 27 Cb 0.78 -0.85 -0.06 0.00 -0.71 0.00 0.00 33.22 32.38 3d04 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3d04 s LEU 28 N -0.71 4.70 -0.28 4.03 2.96 -0.91 -4.67 118.68 123.80 3d04 s LEU 28 Ca 0.00 -0.65 0.09 0.00 -0.22 0.00 0.00 54.13 53.36 3d04 s LEU 28 Cb 0.00 -2.58 0.48 0.00 0.50 0.00 0.00 46.19 44.59 3d04 s LEU 28 CO 0.00 -0.89 1.40 0.18 -1.32 0.00 0.00 176.35 175.72 3d04 n LEU 29 N 6.35 3.82 -3.86 -0.68 4.77 -1.26 -4.89 117.00 121.25 3d04 n LEU 29 Ca -0.04 -3.88 -0.22 0.00 -0.03 0.00 0.00 56.01 51.84 3d04 n LEU 29 Cb 0.46 -0.60 -0.17 0.00 -2.33 0.00 0.00 43.42 40.78 3d04 n LEU 29 CO 0.55 1.35 -0.41 -0.69 -1.33 0.00 0.00 177.39 176.86 3d04 s VAL 30 N -3.33 0.59 -0.19 4.08 1.01 -1.26 -4.57 120.40 116.73 3d04 s VAL 30 Ca 0.43 -0.09 0.14 0.00 0.00 0.00 0.00 61.98 62.46 3d04 s VAL 30 Cb 0.40 -0.65 -0.23 0.00 0.00 0.00 0.00 36.38 35.89 3d04 s VAL 30 CO -0.02 0.26 0.08 0.47 0.00 0.00 0.00 175.10 175.89 3d04 n ASP 31 N 4.50 0.47 -3.64 3.32 8.00 0.67 -4.97 116.55 124.92 3d04 n ASP 31 Ca -0.17 0.02 -0.14 0.00 0.71 0.00 0.00 54.79 55.20 3d04 n ASP 31 Cb 0.50 0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 42.15 3d04 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3d04 s ARG 32 N -2.51 0.81 -0.29 -1.24 3.52 -1.04 -3.22 118.95 114.98 3d04 s ARG 32 Ca -0.14 0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 56.24 3d04 s ARG 32 Cb 0.07 0.39 -0.01 0.00 -1.56 0.00 0.00 34.95 33.84 3d04 s ARG 32 CO 0.79 -0.11 0.11 0.42 -0.81 0.00 0.00 175.30 175.69 3d04 s ILE 33 N 0.20 4.30 -0.14 4.11 1.01 0.01 -1.10 121.20 129.59 3d04 s ILE 33 Ca -0.01 -0.45 0.20 0.00 0.00 0.00 0.00 60.65 60.38 3d04 s ILE 33 Cb -0.04 -3.16 -0.15 0.00 0.01 0.00 0.00 42.46 39.12 3d04 s ILE 33 CO 0.02 0.14 0.74 0.35 0.00 0.00 0.00 174.94 176.19 3d04 n THR 34 N 4.93 0.75 -3.72 2.92 -2.24 -0.47 -0.87 114.28 115.58 3d04 n THR 34 Ca -0.15 -0.62 -0.12 0.00 -2.27 0.00 0.00 64.05 60.89 3d04 n THR 34 Cb 0.49 -0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 68.21 3d04 n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3d04 s GLU 35 N -3.16 0.48 -0.21 -0.78 2.12 -0.84 -4.37 118.70 111.93 3d04 s GLU 35 Ca -0.04 0.66 -0.04 0.00 0.36 0.00 0.00 54.97 55.91 3d04 s GLU 35 Cb 0.10 0.17 0.11 0.00 0.26 0.00 0.00 34.13 34.76 3d04 s GLU 35 CO 0.83 -0.09 0.37 -1.17 -0.54 0.00 0.00 175.26 174.66 3d04 s LEU 36 N 0.58 -0.57 -0.23 2.70 2.96 -1.25 -1.00 118.68 121.86 3d04 s LEU 36 Ca -0.03 0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 3d04 s LEU 36 Cb -0.05 1.11 0.00 0.00 0.50 0.00 0.00 46.19 47.76 3d04 s LEU 36 CO -0.04 -0.27 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.59 3d04 s GLN 37 N 2.54 3.21 0.27 1.98 -0.21 -0.02 -4.59 119.66 122.85 3d04 s GLN 37 Ca 0.06 -0.74 -0.30 0.00 0.02 0.00 0.00 55.36 54.40 3d04 s GLN 37 Cb -0.14 -3.04 -0.13 0.00 1.00 0.00 0.00 33.01 30.70 3d04 s GLN 37 CO -0.14 -0.27 1.41 0.00 -2.12 0.00 0.00 175.29 174.17 3d04 n ALA 38 N 4.77 1.36 -0.68 6.09 0.00 -1.26 -1.56 120.51 129.24 3d04 n ALA 38 Ca -0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3d04 n ALA 38 Cb 0.50 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3d04 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d04 n ASN 39 N 1.87 -0.94 0.01 0.00 4.13 -1.26 -4.74 115.26 114.32 3d04 n ASN 39 Ca 0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.36 3d04 n ASN 39 Cb 0.33 -2.13 0.00 0.00 -1.54 0.00 0.00 39.78 36.45 3d04 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d04 n GLN 40 N -1.62 0.00 -3.61 3.52 1.13 -0.60 -4.59 117.38 111.61 3d04 n GLN 40 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3d04 n GLN 40 Cb 0.07 -0.06 -0.04 0.00 0.11 0.00 0.00 30.24 30.32 3d04 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3d04 s LYS 41 N -1.13 1.18 -0.00 -1.09 -2.85 -0.82 -0.32 119.74 114.70 3d04 s LYS 41 Ca 0.00 -0.69 0.01 0.00 -1.00 0.00 0.00 55.97 54.30 3d04 s LYS 41 Cb 0.00 0.51 -0.00 0.00 -2.06 0.00 0.00 37.83 36.27 3d04 s LYS 41 CO 0.00 -0.49 -0.05 -1.50 0.10 0.00 0.00 175.35 173.42 3d04 s ILE 42 N -3.81 0.38 -0.14 3.79 2.07 0.15 -0.84 121.20 122.81 3d04 s ILE 42 Ca 0.04 -0.23 0.02 0.00 -1.41 0.00 0.00 60.65 59.07 3d04 s ILE 42 Cb 0.01 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.28 3d04 s ILE 42 CO -0.10 0.09 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.12 3d04 s VAL 43 N -0.15 1.99 0.19 4.00 1.01 -0.17 -1.81 120.40 125.45 3d04 s VAL 43 Ca 0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3d04 s VAL 43 Cb -0.02 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3d04 s VAL 43 CO -0.00 0.54 0.13 0.00 0.00 0.00 0.00 175.10 175.76 3d04 s ALA 44 N 0.89 1.04 0.10 5.51 0.00 -0.20 -1.37 121.76 127.73 3d04 s ALA 44 Ca -0.06 -1.62 -0.09 0.00 0.00 0.00 0.00 51.96 50.19 3d04 s ALA 44 Cb -0.15 1.27 0.00 0.00 0.00 0.00 0.00 23.12 24.24 3d04 s ALA 44 CO -0.03 -0.58 0.22 1.52 0.00 0.00 0.00 175.76 176.89 3d04 s TYR 45 N -4.13 0.14 -0.09 0.00 1.13 -0.26 0.17 117.35 114.32 3d04 s TYR 45 Ca 0.35 -0.56 0.02 0.00 -1.41 0.00 0.00 57.07 55.47 3d04 s TYR 45 Cb 0.07 -0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.91 3d04 s TYR 45 CO 0.10 -0.57 -0.14 0.21 -2.51 0.00 0.00 175.55 172.63 3d04 s LYS 46 N -3.87 1.98 0.22 -3.49 2.20 0.38 -0.23 119.74 116.93 3d04 s LYS 46 Ca 0.06 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.88 3d04 s LYS 46 Cb 0.04 -1.66 -0.08 0.00 -1.51 0.00 0.00 37.83 34.62 3d04 s LYS 46 CO -0.10 -0.01 1.13 -0.80 -0.36 0.00 0.00 175.35 175.21 3d04 s ASN 47 N 0.82 7.20 -0.20 1.43 0.01 -1.26 -0.30 114.94 122.63 3d04 s ASN 47 Ca -0.11 2.21 -0.06 0.00 -0.71 0.00 0.00 52.86 54.19 3d04 s ASN 47 Cb -0.15 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.86 3d04 s ASN 47 CO 0.02 -0.25 0.03 -0.63 -1.51 0.00 0.00 177.10 174.75 3d04 s ILE 48 N -0.50 4.23 0.11 0.60 -1.09 0.35 -4.91 121.20 120.00 3d04 s ILE 48 Ca 0.49 -0.22 0.04 0.00 -2.23 0.00 0.00 60.65 58.73 3d04 s ILE 48 Cb -0.31 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 3d04 s ILE 48 CO 0.38 0.42 -0.11 0.28 -1.23 0.00 0.00 174.94 174.68 3d04 s THR 49 N 0.92 1.06 0.47 2.92 -1.32 -1.26 0.23 115.64 118.65 3d04 s THR 49 Ca 0.02 -1.72 0.22 0.00 -1.21 0.00 0.00 61.69 59.01 3d04 s THR 49 Cb -0.14 -1.47 0.26 0.00 -1.51 0.00 0.00 72.50 69.64 3d04 s THR 49 CO 0.02 -0.55 2.08 0.15 -2.21 0.00 0.00 174.62 174.11 3d04 h PHE 50 N 3.44 0.00 0.00 9.09 3.57 -1.96 -3.29 116.94 127.79 3d04 h PHE 50 Ca -0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 3d04 h PHE 50 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3d04 h PHE 50 CO 0.64 0.12 0.00 -1.71 -2.23 0.00 0.00 178.31 175.13 3d04 n ASN 51 N -3.99 3.64 -4.23 0.41 4.05 -1.26 -4.74 115.26 109.15 3d04 n ASN 51 Ca -0.02 -1.94 -0.31 0.00 0.45 0.00 0.00 54.58 52.76 3d04 n ASN 51 Cb 0.20 -0.75 -0.17 0.00 1.23 0.00 0.00 39.78 40.30 3d04 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3d04 s GLU 52 N 0.48 2.63 0.37 1.20 2.02 -1.24 -5.03 118.70 119.13 3d04 s GLU 52 Ca 0.00 -0.85 0.11 0.00 0.02 0.00 0.00 54.97 54.25 3d04 s GLU 52 Cb 0.00 -2.13 0.88 0.00 0.10 0.00 0.00 34.13 32.98 3d04 s GLU 52 CO 0.00 0.28 1.86 0.22 0.02 0.00 0.00 175.26 177.64 3d04 h ASP 53 N 6.36 0.60 -1.02 -0.19 3.58 -1.95 -2.10 116.42 121.70 3d04 h ASP 53 Ca -0.27 0.04 0.28 0.00 0.42 0.00 0.00 57.03 57.51 3d04 h ASP 53 Cb 1.20 -0.07 -0.13 0.00 1.72 0.00 0.00 39.33 42.05 3d04 h ASP 53 CO 0.47 0.29 0.60 0.58 -2.88 0.00 0.00 179.24 178.30 3d04 h VAL 54 N 0.63 0.43 0.00 2.25 2.07 -1.95 -1.50 116.25 118.17 3d04 h VAL 54 Ca 0.46 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.83 3d04 h VAL 54 Cb 0.83 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3d04 h VAL 54 CO -0.21 0.08 0.00 0.49 0.02 0.00 0.00 177.57 177.95 3d04 n PHE 55 N -4.91 0.76 0.20 1.57 0.99 -0.79 -2.12 117.46 113.16 3d04 n PHE 55 Ca 0.29 0.29 0.07 0.00 -0.00 0.00 0.00 57.45 58.10 3d04 n PHE 55 Cb 0.88 -0.97 0.58 0.00 -1.00 0.00 0.00 39.48 38.96 3d04 n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3d04 h ASN 56 N 0.00 0.10 0.00 4.37 2.35 -1.44 -3.29 115.58 117.67 3d04 h ASN 56 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d04 h ASN 56 Cb 0.38 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3d04 h ASN 56 CO 0.00 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.48 3d04 n GLY 57 N -1.48 -1.06 2.25 2.83 0.00 -0.90 -4.09 105.19 102.74 3d04 n GLY 57 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3d04 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d04 n HIS 58 N -0.05 -0.13 -4.33 1.61 -0.00 -0.95 -4.47 115.22 106.90 3d04 n HIS 58 Ca 0.00 -3.57 -0.17 0.00 -0.00 0.00 0.00 57.72 53.97 3d04 n HIS 58 Cb 0.03 -0.27 -0.10 0.00 -0.00 0.00 0.00 29.99 29.65 3d04 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3d04 s PHE 59 N -1.09 1.61 0.10 1.57 0.40 0.38 -1.32 117.98 119.63 3d04 s PHE 59 Ca 0.35 -0.65 -0.34 0.00 -0.60 0.00 0.00 56.93 55.69 3d04 s PHE 59 Cb 0.15 -0.79 -0.14 0.00 0.51 0.00 0.00 43.02 42.75 3d04 s PHE 59 CO -0.12 0.26 1.61 -2.30 0.70 0.00 0.00 175.22 175.37 3d04 n PRO 60 N -0.35 2.05 -0.89 0.24 -0.02 -1.26 -1.39 135.00 133.38 3d04 n PRO 60 Ca -0.08 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3d04 n PRO 60 Cb 0.61 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3d04 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3d04 n ASN 61 N 3.92 -3.52 -3.15 2.55 3.02 -1.26 -4.89 115.26 111.93 3d04 n ASN 61 Ca 0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.61 3d04 n ASN 61 Cb 0.28 -2.39 -0.04 0.00 -0.61 0.00 0.00 39.78 37.01 3d04 n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3d04 s LYS 62 N -1.21 0.86 -0.32 3.52 2.20 -0.49 -5.13 119.74 119.17 3d04 s LYS 62 Ca 0.00 -1.09 -0.29 0.00 -0.36 0.00 0.00 55.97 54.23 3d04 s LYS 62 Cb 0.00 -0.52 -0.01 0.00 -1.51 0.00 0.00 37.83 35.79 3d04 s LYS 62 CO 0.00 -1.28 1.61 -1.25 -0.36 0.00 0.00 175.35 174.07 3d04 s PRO 63 N 1.04 3.56 -0.09 4.03 0.04 -1.23 -0.47 135.00 141.87 3d04 s PRO 63 Ca 0.24 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 3d04 s PRO 63 Cb -0.05 -4.09 0.02 0.00 0.04 0.00 0.00 34.50 30.43 3d04 s PRO 63 CO -0.07 -1.58 -0.07 0.42 0.04 0.00 0.00 177.00 175.74 3d04 s ILE 64 N 5.87 0.87 0.00 0.56 1.01 -0.43 -4.51 121.20 124.56 3d04 s ILE 64 Ca 0.71 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 3d04 s ILE 64 Cb -0.20 -0.90 -0.07 0.00 0.01 0.00 0.00 42.46 41.30 3d04 s ILE 64 CO 0.32 0.33 1.67 0.12 0.00 0.00 0.00 174.94 177.38 3d04 s PHE 65 N 1.52 2.11 0.20 3.97 5.36 0.69 -4.56 117.98 127.27 3d04 s PHE 65 Ca 0.00 0.21 -0.32 0.00 -0.96 0.00 0.00 56.93 55.86 3d04 s PHE 65 Cb -0.13 -3.95 -0.13 0.00 -0.34 0.00 0.00 43.02 38.47 3d04 s PHE 65 CO -0.05 -3.94 1.53 -2.30 -1.46 0.00 0.00 175.22 169.00 3d04 n PRO 66 N 6.54 2.19 -0.19 10.12 -0.02 -1.26 -4.55 135.00 147.82 3d04 n PRO 66 Ca 0.17 0.78 0.07 0.00 -2.02 0.00 0.00 63.50 62.51 3d04 n PRO 66 Cb 0.42 -2.52 0.36 0.00 -0.02 0.00 0.00 33.50 31.74 3d04 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d04 h GLY 67 N 5.25 0.97 2.00 -1.23 0.00 -1.98 -1.65 103.07 106.43 3d04 h GLY 67 Ca -0.45 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.53 3d04 h GLY 67 CO 0.84 0.20 -0.25 -0.39 0.00 0.00 0.00 176.54 176.94 3d04 h VAL 68 N 0.73 0.88 0.00 4.60 -1.51 -2.00 -2.45 116.25 116.51 3d04 h VAL 68 Ca 0.33 -0.98 -0.13 0.00 -1.23 0.00 0.00 66.70 64.69 3d04 h VAL 68 Cb 0.33 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.06 3d04 h VAL 68 CO -0.12 0.25 -0.63 -0.07 -1.23 0.00 0.00 177.57 175.77 3d04 h LEU 69 N 0.00 0.00 0.05 4.19 3.38 -1.68 -0.85 115.31 120.40 3d04 h LEU 69 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3d04 h LEU 69 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3d04 h LEU 69 CO 0.03 0.62 -0.02 0.40 0.09 0.00 0.00 178.44 179.56 3d04 h ILE 70 N 0.00 0.99 -0.53 1.22 2.04 -1.09 -1.08 117.51 119.06 3d04 h ILE 70 Ca -0.01 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3d04 h ILE 70 Cb 1.48 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 3d04 h ILE 70 CO 0.08 0.04 0.29 0.58 0.00 0.00 0.00 178.15 179.13 3d04 h VAL 71 N -0.13 0.98 -0.72 1.67 2.07 -1.37 -1.19 116.25 117.56 3d04 h VAL 71 Ca -0.01 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.41 3d04 h VAL 71 Cb 0.11 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 3d04 h VAL 71 CO 0.01 0.10 0.37 -0.08 0.02 0.00 0.00 177.57 177.99 3d04 h GLU 72 N 0.56 0.62 -0.42 1.57 4.57 -1.06 0.80 114.58 121.21 3d04 h GLU 72 Ca 0.23 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 3d04 h GLU 72 Cb 0.11 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3d04 h GLU 72 CO -0.14 0.41 -0.05 0.78 -1.18 0.00 0.00 179.01 178.83 3d04 h GLY 73 N 0.64 0.77 0.98 1.92 0.00 -0.62 -0.27 103.07 106.48 3d04 h GLY 73 Ca 0.35 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3d04 h GLY 73 CO -0.25 0.49 -0.00 -0.33 0.00 0.00 0.00 176.54 176.44 3d04 h MET 74 N 0.66 0.78 -0.20 4.80 2.86 -0.57 -1.48 114.93 121.78 3d04 h MET 74 Ca 0.13 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3d04 h MET 74 Cb 0.48 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3d04 h MET 74 CO 0.02 0.85 0.13 0.00 1.06 0.00 0.00 176.91 178.97 3d04 h ALA 75 N 0.90 0.25 -0.97 6.32 0.00 -0.58 0.35 119.26 125.54 3d04 h ALA 75 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3d04 h ALA 75 Cb 0.50 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3d04 h ALA 75 CO 0.02 -0.27 0.64 1.96 0.00 0.00 0.00 179.25 181.60 3d04 h GLN 76 N 0.27 1.28 -0.07 0.00 4.20 -0.99 0.29 115.11 120.09 3d04 h GLN 76 Ca 0.07 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3d04 h GLN 76 Cb -0.03 -0.29 -0.00 0.00 0.30 0.00 0.00 27.48 27.46 3d04 h GLN 76 CO -0.02 0.85 0.02 0.77 -0.67 0.00 0.00 178.83 179.79 3d04 h SER 77 N 1.32 0.09 -0.72 1.46 0.02 -1.03 -1.94 113.55 112.74 3d04 h SER 77 Ca 0.35 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3d04 h SER 77 Cb -0.15 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3d04 h SER 77 CO -0.08 0.25 0.37 1.23 -1.14 0.00 0.00 176.83 177.46 3d04 h GLY 78 N -0.07 1.11 1.23 -3.77 0.00 -0.49 -0.78 103.07 100.31 3d04 h GLY 78 Ca 0.02 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 3d04 h GLY 78 CO -0.00 0.50 0.01 -1.33 0.00 0.00 0.00 176.54 175.72 3d04 h GLY 79 N 1.09 1.00 0.98 4.60 0.00 -0.40 -1.20 103.07 109.13 3d04 h GLY 79 Ca 0.26 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3d04 h GLY 79 CO -0.04 0.64 0.18 -2.75 0.00 0.00 0.00 176.54 174.57 3d04 h PHE 80 N 0.86 0.83 0.22 5.60 3.57 -0.91 -1.10 116.94 126.02 3d04 h PHE 80 Ca 0.16 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3d04 h PHE 80 Cb 0.49 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3d04 h PHE 80 CO 0.03 0.71 -0.25 1.25 -2.23 0.00 0.00 178.31 177.82 3d04 h LEU 81 N 0.72 -0.68 -0.51 0.59 5.85 -0.97 -1.74 115.31 118.56 3d04 h LEU 81 Ca 0.17 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3d04 h LEU 81 Cb 0.26 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3d04 h LEU 81 CO -0.01 -0.36 0.31 0.00 -0.34 0.00 0.00 178.44 178.05 3d04 h ALA 82 N 0.16 0.65 0.22 1.25 0.00 -1.15 -1.22 119.26 119.17 3d04 h ALA 82 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3d04 h ALA 82 Cb 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3d04 h ALA 82 CO -0.08 0.03 -0.11 0.35 0.00 0.00 0.00 179.25 179.45 3d04 h PHE 83 N 0.63 -0.27 0.00 0.00 3.57 -1.14 -3.11 116.94 116.62 3d04 h PHE 83 Ca 0.20 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 3d04 h PHE 83 Cb -0.00 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3d04 h PHE 83 CO -0.06 -0.00 -0.27 1.79 -2.23 0.00 0.00 178.31 177.54 3d04 h THR 84 N -0.53 0.83 -0.95 4.41 1.35 -1.29 -1.26 112.91 115.46 3d04 h THR 84 Ca -0.03 -1.07 0.03 0.00 -0.55 0.00 0.00 66.41 64.79 3d04 h THR 84 Cb 0.40 1.65 -0.05 0.00 -1.73 0.00 0.00 68.15 68.41 3d04 h THR 84 CO 0.05 0.26 0.62 0.28 -0.25 0.00 0.00 175.52 176.48 3d04 h SER 85 N 0.00 1.04 0.15 5.36 0.02 -1.19 0.28 113.55 119.21 3d04 h SER 85 Ca -0.00 -0.01 -0.36 0.00 -0.84 0.00 0.00 61.79 60.58 3d04 h SER 85 Cb 0.63 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3d04 h SER 85 CO 0.03 0.71 -1.89 -0.07 -1.14 0.00 0.00 176.83 174.48 3d04 h LEU 86 N 1.21 0.50 -0.35 5.07 3.38 -1.36 -3.42 115.31 120.34 3d04 h LEU 86 Ca 0.37 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3d04 h LEU 86 Cb -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3d04 h LEU 86 CO -0.12 1.83 0.00 0.79 0.09 0.00 0.00 178.44 181.03 3d04 n TRP 87 N -3.54 0.00 -4.52 1.13 8.01 -0.53 -5.13 117.44 112.87 3d04 n TRP 87 Ca -0.29 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.90 3d04 n TRP 87 Cb 1.05 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.35 3d04 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3d04 n GLY 88 N 0.54 -0.14 3.57 6.99 0.00 0.97 -4.20 105.19 112.91 3d04 n GLY 88 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3d04 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d04 s PHE 89 N 0.00 2.70 -0.44 1.61 5.36 -1.26 -4.33 117.98 121.62 3d04 s PHE 89 Ca 0.00 -1.30 0.02 0.00 -0.96 0.00 0.00 56.93 54.69 3d04 s PHE 89 Cb 0.00 -4.71 0.13 0.00 -0.34 0.00 0.00 43.02 38.09 3d04 s PHE 89 CO 0.00 -1.85 0.22 0.34 -1.46 0.00 0.00 175.22 172.47 3d04 s ASP 90 N 4.50 3.89 0.34 6.13 -1.08 -1.26 -4.99 116.67 124.21 3d04 s ASP 90 Ca 0.50 -2.59 0.03 0.00 -0.52 0.00 0.00 52.55 49.97 3d04 s ASP 90 Cb 0.02 -1.18 0.65 0.00 -1.46 0.00 0.00 42.92 40.95 3d04 s ASP 90 CO -0.00 -0.28 1.96 -0.65 0.52 0.00 0.00 175.17 176.72 3d04 h PRO 91 N 6.85 0.83 -0.12 4.34 0.11 -1.91 -1.24 132.00 140.88 3d04 h PRO 91 Ca -0.04 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3d04 h PRO 91 Cb 0.93 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3d04 h PRO 91 CO 0.53 0.55 0.04 0.93 -0.21 0.00 0.00 178.00 179.84 3d04 h GLU 92 N 0.86 0.18 -0.42 1.05 5.08 -1.94 -2.81 114.58 116.59 3d04 h GLU 92 Ca 0.30 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3d04 h GLU 92 Cb 0.12 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3d04 h GLU 92 CO -0.09 0.31 -0.02 0.82 -1.00 0.00 0.00 179.01 179.03 3d04 h ILE 93 N 0.01 1.23 -0.95 3.13 1.08 -1.96 -3.16 117.51 116.90 3d04 h ILE 93 Ca 0.04 -0.96 0.13 0.00 -0.39 0.00 0.00 64.86 63.67 3d04 h ILE 93 Cb 0.21 0.94 -0.09 0.00 -3.07 0.00 0.00 36.82 34.81 3d04 h ILE 93 CO -0.00 0.33 0.58 0.00 -0.69 0.00 0.00 178.15 178.37 3d04 h ALA 94 N 1.33 1.44 0.00 1.87 0.00 -0.98 -0.23 119.26 122.69 3d04 h ALA 94 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3d04 h ALA 94 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3d04 h ALA 94 CO 0.02 0.14 0.00 0.87 0.00 0.00 0.00 179.25 180.28 3d04 h LYS 95 N 0.89 0.00 -0.01 0.00 1.57 -1.47 -2.80 116.57 114.75 3d04 h LYS 95 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3d04 h LYS 95 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3d04 h LYS 95 CO -0.29 0.00 -0.56 0.25 -0.57 0.00 0.00 179.45 178.28 3d04 n THR 96 N -3.05 0.00 -4.37 -0.16 -2.24 -0.12 -4.77 114.28 99.58 3d04 n THR 96 Ca -0.01 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.38 3d04 n THR 96 Cb 0.22 0.82 -0.13 0.00 -2.10 0.00 0.00 70.33 69.14 3d04 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3d04 s LYS 97 N -2.70 1.34 -0.02 -0.78 -0.14 -1.06 -0.18 119.74 116.19 3d04 s LYS 97 Ca 0.16 -1.31 0.02 0.00 -1.36 0.00 0.00 55.97 53.48 3d04 s LYS 97 Cb 0.18 -1.79 0.00 0.00 -1.68 0.00 0.00 37.83 34.54 3d04 s LYS 97 CO 0.66 0.42 -0.08 -1.50 -0.76 0.00 0.00 175.35 174.09 3d04 s ILE 98 N -1.09 0.68 -0.46 2.17 1.10 0.84 -4.64 121.20 119.82 3d04 s ILE 98 Ca 0.12 -0.30 -0.12 0.00 -0.51 0.00 0.00 60.65 59.84 3d04 s ILE 98 Cb -0.10 -0.62 0.09 0.00 0.15 0.00 0.00 42.46 41.98 3d04 s ILE 98 CO 0.06 0.22 0.34 -0.69 -2.11 0.00 0.00 174.94 172.76 3d04 s VAL 99 N 0.23 4.66 0.10 4.00 1.01 -1.26 -0.63 120.40 128.51 3d04 s VAL 99 Ca -0.03 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 60.65 3d04 s VAL 99 Cb -0.08 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3d04 s VAL 99 CO 0.00 -0.60 0.01 -0.72 0.00 0.00 0.00 175.10 173.79 3d04 s TYR 100 N 1.51 2.98 -0.23 5.22 -0.85 -0.67 -4.95 117.35 120.36 3d04 s TYR 100 Ca 0.04 -0.04 -0.14 0.00 -0.52 0.00 0.00 57.07 56.41 3d04 s TYR 100 Cb -0.25 -1.52 -0.04 0.00 0.38 0.00 0.00 41.96 40.53 3d04 s TYR 100 CO 0.03 0.49 0.33 -0.06 -1.52 0.00 0.00 175.55 174.82 3d04 s PHE 101 N -1.37 3.33 -0.18 -3.49 0.40 -1.26 -0.99 117.98 114.42 3d04 s PHE 101 Ca 0.26 0.46 -0.25 0.00 -0.60 0.00 0.00 56.93 56.81 3d04 s PHE 101 Cb -0.11 -2.47 -0.22 0.00 0.51 0.00 0.00 43.02 40.73 3d04 s PHE 101 CO 0.19 -0.04 0.46 0.52 0.70 0.00 0.00 175.22 177.05 3d04 h MET 102 N 7.60 0.00 -4.87 0.44 2.86 -1.30 -3.49 114.93 116.18 3d04 h MET 102 Ca -0.36 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.01 3d04 h MET 102 Cb 1.16 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.67 3d04 h MET 102 CO 0.68 1.00 -0.71 0.95 1.06 0.00 0.00 176.91 179.89 3d04 s THR 103 N -2.30 0.93 -0.02 2.22 -4.23 -1.17 -5.02 115.64 106.06 3d04 s THR 103 Ca -0.24 -1.96 -0.00 0.00 -1.18 0.00 0.00 61.69 58.30 3d04 s THR 103 Cb 0.02 -1.73 0.02 0.00 1.34 0.00 0.00 72.50 72.16 3d04 s THR 103 CO 0.63 -0.79 0.03 -0.63 -0.54 0.00 0.00 174.62 173.33 3d04 s ILE 104 N -3.38 -0.04 0.11 2.99 1.01 -1.26 -2.10 121.20 118.53 3d04 s ILE 104 Ca 0.13 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 3d04 s ILE 104 Cb 0.03 -0.07 -0.01 0.00 0.01 0.00 0.00 42.46 42.42 3d04 s ILE 104 CO -0.02 0.07 0.19 -0.62 0.00 0.00 0.00 174.94 174.55 3d04 s ASP 105 N 0.80 0.15 -1.43 3.58 3.68 0.41 -4.94 116.67 118.92 3d04 s ASP 105 Ca -0.07 -0.81 -0.11 0.00 2.13 0.00 0.00 52.55 53.70 3d04 s ASP 105 Cb -0.09 0.35 0.04 0.00 -1.45 0.00 0.00 42.92 41.77 3d04 s ASP 105 CO -0.02 -0.77 1.10 0.29 0.13 0.00 0.00 175.17 175.90 3d04 n LYS 106 N -0.10 -6.94 -2.88 4.34 4.76 -1.26 -0.16 118.16 115.92 3d04 n LYS 106 Ca -0.12 0.73 -0.41 0.00 -2.87 0.00 0.00 58.31 55.65 3d04 n LYS 106 Cb 0.63 -5.72 -0.04 0.00 -1.84 0.00 0.00 35.03 28.06 3d04 n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3d04 s VAL 107 N -3.31 4.93 -0.03 -0.18 1.01 -1.26 -3.81 120.40 117.74 3d04 s VAL 107 Ca 0.61 1.71 0.01 0.00 0.00 0.00 0.00 61.98 64.32 3d04 s VAL 107 Cb -0.29 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 31.95 3d04 s VAL 107 CO 0.77 0.13 -0.05 -0.54 0.00 0.00 0.00 175.10 175.42 3d04 s LYS 108 N 1.39 0.73 -0.18 2.72 1.02 -0.71 -4.98 119.74 119.73 3d04 s LYS 108 Ca 0.42 -0.12 -0.05 0.00 0.02 0.00 0.00 55.97 56.25 3d04 s LYS 108 Cb -0.18 -0.74 -0.03 0.00 -0.52 0.00 0.00 37.83 36.36 3d04 s LYS 108 CO 0.19 -0.04 0.00 -0.06 -0.92 0.00 0.00 175.35 174.52 3d04 s PHE 109 N 0.70 3.09 -0.10 3.18 0.40 -1.26 -1.33 117.98 122.65 3d04 s PHE 109 Ca -0.09 -0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 55.99 3d04 s PHE 109 Cb -0.12 -2.03 -0.06 0.00 0.51 0.00 0.00 43.02 41.32 3d04 s PHE 109 CO 0.00 -0.05 -0.09 0.54 0.70 0.00 0.00 175.22 176.32 3d04 n ARG 110 N 3.77 0.24 -4.26 0.44 1.74 0.54 -4.98 116.66 114.15 3d04 n ARG 110 Ca -0.17 0.06 -0.19 0.00 -0.77 0.00 0.00 57.85 56.78 3d04 n ARG 110 Cb 0.52 -1.16 -0.16 0.00 -1.02 0.00 0.00 32.46 30.65 3d04 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3d04 s ILE 111 N -2.20 0.62 0.30 0.55 1.01 -1.08 -5.03 121.20 115.36 3d04 s ILE 111 Ca -0.13 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3d04 s ILE 111 Cb 0.04 -0.58 -0.10 0.00 0.01 0.00 0.00 42.46 41.82 3d04 s ILE 111 CO 0.22 0.22 1.41 -2.16 0.00 0.00 0.00 174.94 174.63 3d04 s PRO 112 N 0.46 4.26 -0.14 2.79 0.04 -1.26 -4.80 135.00 136.36 3d04 s PRO 112 Ca -0.06 2.33 -0.12 0.00 0.04 0.00 0.00 61.00 63.19 3d04 s PRO 112 Cb -0.10 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 3d04 s PRO 112 CO 0.00 -0.38 0.25 0.08 0.04 0.00 0.00 177.00 177.00 3d04 s VAL 113 N -0.54 5.33 0.14 -0.36 1.01 -1.26 -5.02 120.40 119.69 3d04 s VAL 113 Ca 0.55 0.46 0.03 0.00 0.00 0.00 0.00 61.98 63.02 3d04 s VAL 113 Cb -0.42 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3d04 s VAL 113 CO 0.50 0.46 -0.05 0.42 0.00 0.00 0.00 175.10 176.43 3d04 s THR 114 N -0.01 0.83 0.12 3.92 -4.23 -1.26 -0.22 115.64 114.79 3d04 s THR 114 Ca 0.16 -1.99 -0.35 0.00 -1.18 0.00 0.00 61.69 58.33 3d04 s THR 114 Cb -0.13 -1.89 -0.16 0.00 1.34 0.00 0.00 72.50 71.66 3d04 s THR 114 CO 0.04 -0.70 1.26 -2.65 -0.54 0.00 0.00 174.62 172.04 3d04 n PRO 115 N -0.16 1.14 0.00 3.99 -0.02 -1.26 -1.92 135.00 136.77 3d04 n PRO 115 Ca -0.10 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3d04 n PRO 115 Cb 0.62 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3d04 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d04 n GLY 116 N 2.31 2.42 3.75 -1.23 0.00 0.14 -4.91 105.19 107.67 3d04 n GLY 116 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3d04 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d04 s ASP 117 N -1.56 7.58 -0.48 1.61 -0.00 -0.81 -4.89 116.67 118.13 3d04 s ASP 117 Ca 0.00 1.86 -0.20 0.00 -0.00 0.00 0.00 52.55 54.22 3d04 s ASP 117 Cb 0.00 -2.58 0.04 0.00 -0.00 0.00 0.00 42.92 40.38 3d04 s ASP 117 CO 0.00 0.16 0.62 -0.60 -0.00 0.00 0.00 175.17 175.35 3d04 s ARG 118 N -1.09 3.17 -0.55 8.23 3.52 -1.26 -0.49 118.95 130.47 3d04 s ARG 118 Ca 0.40 -0.72 -0.24 0.00 -0.13 0.00 0.00 55.73 55.04 3d04 s ARG 118 Cb -0.25 -4.04 0.04 0.00 -1.56 0.00 0.00 34.95 29.14 3d04 s ARG 118 CO 0.30 -1.14 0.93 -1.17 -0.81 0.00 0.00 175.30 173.42 3d04 s LEU 119 N 2.68 4.13 -0.19 -0.88 2.96 0.59 -4.43 118.68 123.53 3d04 s LEU 119 Ca 0.17 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.61 3d04 s LEU 119 Cb -0.17 -2.82 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 3d04 s LEU 119 CO 0.14 -1.22 0.15 -0.70 -1.32 0.00 0.00 176.35 173.40 3d04 s GLU 120 N 3.90 4.17 -0.23 1.98 2.12 0.12 -0.47 118.70 130.29 3d04 s GLU 120 Ca 0.30 -0.18 -0.07 0.00 0.36 0.00 0.00 54.97 55.37 3d04 s GLU 120 Cb -0.13 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 3d04 s GLU 120 CO 0.19 0.31 0.07 0.71 -0.54 0.00 0.00 175.26 176.00 3d04 s TYR 121 N 0.32 3.13 -0.31 5.30 1.51 0.46 -0.18 117.35 127.57 3d04 s TYR 121 Ca 0.09 -0.25 -0.00 0.00 -1.01 0.00 0.00 57.07 55.89 3d04 s TYR 121 Cb -0.11 -2.20 0.07 0.00 -0.11 0.00 0.00 41.96 39.60 3d04 s TYR 121 CO -0.01 -0.21 0.01 -1.01 -1.11 0.00 0.00 175.55 173.22 3d04 s HIS 122 N 1.27 3.36 -0.03 2.71 3.76 -0.07 -1.04 115.29 125.26 3d04 s HIS 122 Ca 0.05 -2.16 0.06 0.00 -0.15 0.00 0.00 55.06 52.86 3d04 s HIS 122 Cb -0.15 -2.31 -0.01 0.00 1.11 0.00 0.00 32.58 31.22 3d04 s HIS 122 CO 0.04 -0.86 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.35 3d04 s LEU 123 N 1.17 2.02 0.18 0.89 2.01 -0.75 -0.96 118.68 123.24 3d04 s LEU 123 Ca -0.02 -0.41 0.11 0.00 0.01 0.00 0.00 54.13 53.82 3d04 s LEU 123 Cb -0.20 -1.13 -0.04 0.00 0.01 0.00 0.00 46.19 44.82 3d04 s LEU 123 CO -0.03 0.24 -0.23 -1.83 1.01 0.00 0.00 176.35 175.51 3d04 s GLU 124 N -0.31 1.56 -0.31 1.70 -1.05 0.42 -0.67 118.70 120.05 3d04 s GLU 124 Ca 0.03 -1.46 -0.29 0.00 -0.15 0.00 0.00 54.97 53.10 3d04 s GLU 124 Cb -0.10 -1.89 0.01 0.00 -0.44 0.00 0.00 34.13 31.70 3d04 s GLU 124 CO 0.01 0.41 1.21 0.08 0.95 0.00 0.00 175.26 177.92 3d04 s VAL 125 N -1.57 4.28 -0.12 1.83 1.01 0.56 -1.25 120.40 125.14 3d04 s VAL 125 Ca 0.20 1.46 -0.28 0.00 0.00 0.00 0.00 61.98 63.36 3d04 s VAL 125 Cb -0.08 -4.26 -0.26 0.00 0.00 0.00 0.00 36.38 31.79 3d04 s VAL 125 CO 0.10 -0.48 0.83 -0.07 0.00 0.00 0.00 175.10 175.48 3d04 h LEU 126 N 10.55 0.02 -7.05 3.92 3.38 -0.54 -3.48 115.31 122.11 3d04 h LEU 126 Ca -0.24 -0.94 -0.03 0.00 0.09 0.00 0.00 57.88 56.76 3d04 h LEU 126 Cb 1.08 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 3d04 h LEU 126 CO 1.03 0.96 0.17 -1.59 0.09 0.00 0.00 178.44 179.10 3d04 s LYS 127 N -2.46 1.23 -0.11 1.13 -2.85 -1.09 -5.03 119.74 110.55 3d04 s LYS 127 Ca -0.18 -0.44 -0.13 0.00 -1.00 0.00 0.00 55.97 54.22 3d04 s LYS 127 Cb -0.02 0.57 0.03 0.00 -2.06 0.00 0.00 37.83 36.35 3d04 s LYS 127 CO 0.69 -0.52 0.35 -3.38 0.10 0.00 0.00 175.35 172.59 3d04 s HIS 128 N -3.53 -0.35 -0.16 1.78 -3.43 -1.26 -0.21 115.29 108.13 3d04 s HIS 128 Ca 0.00 0.82 -0.04 0.00 -0.80 0.00 0.00 55.06 55.05 3d04 s HIS 128 Cb -0.01 0.13 0.07 0.00 -1.43 0.00 0.00 32.58 31.35 3d04 s HIS 128 CO -0.11 -0.22 0.21 0.21 -2.00 0.00 0.00 174.74 172.83 3d04 s LYS 129 N -0.09 0.14 7.47 -0.38 2.20 -0.41 -5.03 119.74 123.64 3d04 s LYS 129 Ca -0.02 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 3d04 s LYS 129 Cb -0.03 -0.74 0.00 0.00 -1.51 0.00 0.00 37.83 35.55 3d04 s LYS 129 CO 0.01 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 3d04 n GLY 130 N 5.33 3.52 0.94 5.54 0.00 -1.26 -1.94 105.19 117.32 3d04 n GLY 130 Ca -0.05 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3d04 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3d04 n MET 131 N 10.22 2.18 -3.40 1.61 2.81 -1.26 -4.86 117.12 124.42 3d04 n MET 131 Ca 0.00 -1.92 -0.39 0.00 -1.81 0.00 0.00 57.70 53.58 3d04 n MET 131 Cb 0.00 -1.44 -0.09 0.00 -0.71 0.00 0.00 33.22 30.98 3d04 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3d04 s ILE 132 N -1.79 5.18 -0.10 2.02 -1.09 -0.82 -1.20 121.20 123.40 3d04 s ILE 132 Ca 0.28 0.43 0.02 0.00 -2.23 0.00 0.00 60.65 59.16 3d04 s ILE 132 Cb 0.19 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 3d04 s ILE 132 CO 0.28 0.10 -0.17 0.26 -1.23 0.00 0.00 174.94 174.19 3d04 s TRP 133 N 2.05 2.04 -0.30 3.97 0.52 0.05 -1.29 118.94 125.98 3d04 s TRP 133 Ca 0.14 -0.93 -0.06 0.00 0.02 0.00 0.00 56.10 55.28 3d04 s TRP 133 Cb -0.16 -1.45 0.02 0.00 -1.15 0.00 0.00 33.47 30.74 3d04 s TRP 133 CO 0.10 -0.45 0.06 -0.65 0.02 0.00 0.00 176.95 176.03 3d04 s GLN 134 N 0.84 2.86 0.26 4.98 -0.21 0.70 -0.02 119.66 129.06 3d04 s GLN 134 Ca -0.09 -1.01 0.08 0.00 0.02 0.00 0.00 55.36 54.36 3d04 s GLN 134 Cb -0.15 -3.33 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 3d04 s GLN 134 CO 0.01 -0.52 0.07 0.14 -2.12 0.00 0.00 175.29 172.87 3d04 s VAL 135 N 1.43 3.85 0.08 1.09 -7.23 0.55 0.23 120.40 120.39 3d04 s VAL 135 Ca 0.00 -1.69 -0.26 0.00 -1.81 0.00 0.00 61.98 58.22 3d04 s VAL 135 Cb -0.18 -3.06 0.08 0.00 0.56 0.00 0.00 36.38 33.77 3d04 s VAL 135 CO 0.01 -0.35 0.67 -0.83 -0.31 0.00 0.00 175.10 174.29 3d04 s GLY 136 N -3.70 -0.58 0.00 2.32 0.00 -0.38 -0.55 107.32 104.43 3d04 s GLY 136 Ca 0.32 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.84 3d04 s GLY 136 CO 0.22 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.33 3d04 n GLY 137 N -0.03 -0.54 3.16 0.20 0.00 -0.78 -0.44 105.19 106.77 3d04 n GLY 137 Ca -0.16 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 3d04 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d04 s THR 138 N -4.00 0.43 -0.09 2.61 -4.23 -0.13 -1.91 115.64 108.32 3d04 s THR 138 Ca 0.00 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3d04 s THR 138 Cb 0.00 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 3d04 s THR 138 CO 0.00 -0.71 -0.01 0.00 -0.54 0.00 0.00 174.62 173.37 3d04 s ALA 139 N -3.81 3.23 -0.01 3.99 0.00 0.06 -0.89 121.76 124.33 3d04 s ALA 139 Ca 0.17 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3d04 s ALA 139 Cb 0.07 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 3d04 s ALA 139 CO -0.02 0.55 -0.07 -0.65 0.00 0.00 0.00 175.76 175.56 3d04 s GLN 140 N -0.75 0.57 -0.10 0.00 -0.21 0.74 -0.55 119.66 119.36 3d04 s GLN 140 Ca 0.12 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.25 3d04 s GLN 140 Cb -0.11 -0.55 0.02 0.00 1.00 0.00 0.00 33.01 33.36 3d04 s GLN 140 CO 0.02 0.15 -0.10 0.08 -2.12 0.00 0.00 175.29 173.32 3d04 s VAL 141 N -0.17 1.13 -1.41 1.09 1.01 -0.68 -0.71 120.40 120.65 3d04 s VAL 141 Ca 0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3d04 s VAL 141 Cb -0.03 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.29 3d04 s VAL 141 CO -0.00 0.37 0.67 0.47 0.00 0.00 0.00 175.10 176.61 3d04 n ASP 142 N 4.52 -1.74 0.00 3.32 8.00 -1.26 -2.04 116.55 127.35 3d04 n ASP 142 Ca -0.17 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3d04 n ASP 142 Cb 0.51 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 3d04 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d04 n GLY 143 N -1.71 2.59 3.89 0.44 0.00 -1.26 -5.01 105.19 104.13 3d04 n GLY 143 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3d04 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d04 s LYS 144 N -0.01 3.46 -0.25 1.61 1.02 -0.87 -5.06 119.74 119.65 3d04 s LYS 144 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 55.97 55.47 3d04 s LYS 144 Cb 0.00 -3.12 -0.00 0.00 -0.52 0.00 0.00 37.83 34.19 3d04 s LYS 144 CO 0.00 0.70 1.26 0.08 -0.92 0.00 0.00 175.35 176.48 3d04 s VAL 145 N -1.24 4.24 -0.11 3.17 1.01 -1.26 -1.69 120.40 124.51 3d04 s VAL 145 Ca 0.24 1.44 0.20 0.00 0.00 0.00 0.00 61.98 63.86 3d04 s VAL 145 Cb -0.13 -4.12 -0.27 0.00 0.00 0.00 0.00 36.38 31.87 3d04 s VAL 145 CO 0.14 -0.34 0.40 1.33 0.00 0.00 0.00 175.10 176.64 3d04 n VAL 146 N 5.84 0.65 -3.47 2.92 0.24 0.28 -4.52 118.33 120.28 3d04 n VAL 146 Ca 0.14 -0.65 -0.12 0.00 -2.04 0.00 0.00 64.34 61.67 3d04 n VAL 146 Cb 0.46 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.54 3d04 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d04 s ALA 147 N -3.08 -1.46 0.05 2.33 0.00 -1.14 -0.34 121.76 118.12 3d04 s ALA 147 Ca -0.08 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 3d04 s ALA 147 Cb 0.10 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 3d04 s ALA 147 CO 0.87 -0.72 0.10 -1.83 0.00 0.00 0.00 175.76 174.17 3d04 s GLU 148 N -3.62 0.64 -0.19 0.00 -1.05 -0.44 -0.76 118.70 113.28 3d04 s GLU 148 Ca 0.01 -0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 53.68 3d04 s GLU 148 Cb -0.00 0.25 0.13 0.00 -0.44 0.00 0.00 34.13 34.07 3d04 s GLU 148 CO -0.12 -0.17 1.04 0.00 0.95 0.00 0.00 175.26 176.97 3d04 s ALA 149 N -3.04 -1.96 -0.01 -0.84 0.00 -0.80 -1.74 121.76 113.37 3d04 s ALA 149 Ca -0.01 1.65 0.05 0.00 0.00 0.00 0.00 51.96 53.65 3d04 s ALA 149 Cb 0.01 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3d04 s ALA 149 CO -0.07 -0.29 -0.16 -1.21 0.00 0.00 0.00 175.76 174.04 3d04 s GLU 150 N -0.90 2.33 -0.00 0.00 2.02 0.77 -1.87 118.70 121.05 3d04 s GLU 150 Ca -0.00 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 3d04 s GLU 150 Cb -0.01 -2.30 -0.00 0.00 0.10 0.00 0.00 34.13 31.92 3d04 s GLU 150 CO -0.00 0.59 0.02 -0.51 0.02 0.00 0.00 175.26 175.38 3d04 s LEU 151 N -1.06 1.94 -0.13 1.80 1.02 0.29 -0.45 118.68 122.08 3d04 s LEU 151 Ca 0.13 -0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.23 3d04 s LEU 151 Cb -0.11 0.13 0.01 0.00 0.02 0.00 0.00 46.19 46.25 3d04 s LEU 151 CO 0.03 -0.09 -0.19 -0.75 0.02 0.00 0.00 176.35 175.37 3d04 s LYS 152 N -0.37 2.72 0.08 1.70 2.20 -0.89 -0.33 119.74 124.85 3d04 s LYS 152 Ca -0.04 -0.74 0.08 0.00 -0.36 0.00 0.00 55.97 54.90 3d04 s LYS 152 Cb -0.03 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 34.01 3d04 s LYS 152 CO -0.00 -0.05 -0.16 0.00 -0.36 0.00 0.00 175.35 174.78 3d04 s ALA 153 N 0.93 2.71 -0.11 3.13 0.00 0.97 -0.75 121.76 128.64 3d04 s ALA 153 Ca -0.06 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.65 3d04 s ALA 153 Cb -0.15 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3d04 s ALA 153 CO -0.03 0.59 -0.11 1.41 0.00 0.00 0.00 175.76 177.63 3d04 s MET 154 N -1.84 3.20 -0.17 0.00 1.75 -0.16 -0.77 119.30 121.31 3d04 s MET 154 Ca 0.17 -0.64 -0.14 0.00 -1.25 0.00 0.00 55.69 53.84 3d04 s MET 154 Cb -0.11 -2.63 -0.05 0.00 2.84 0.00 0.00 34.83 34.88 3d04 s MET 154 CO 0.09 0.35 0.29 0.42 -0.65 0.00 0.00 175.02 175.52 3d04 s ILE 155 N -0.00 5.30 0.23 10.11 1.01 -0.34 -1.66 121.20 135.85 3d04 s ILE 155 Ca -0.03 0.52 0.01 0.00 0.00 0.00 0.00 60.65 61.15 3d04 s ILE 155 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 3d04 s ILE 155 CO 0.04 0.37 0.14 0.00 0.00 0.00 0.00 174.94 175.49 3d04 s ALA 156 N 0.62 1.40 0.25 9.38 0.00 0.20 -4.84 121.76 128.77 3d04 s ALA 156 Ca 0.16 -1.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 3d04 s ALA 156 Cb -0.13 1.33 -0.09 0.00 0.00 0.00 0.00 23.12 24.23 3d04 s ALA 156 CO 0.04 -0.57 1.15 -1.21 0.00 0.00 0.00 175.76 175.16 3d04 s GLU 157 N -4.03 4.57 0.00 0.00 0.41 -1.26 -0.11 118.70 118.27 3d04 s GLU 157 Ca 0.39 1.86 0.09 0.00 -0.41 0.00 0.00 54.97 56.90 3d04 s GLU 157 Cb 0.06 -3.20 0.56 0.00 -1.78 0.00 0.00 34.13 29.78 3d04 s GLU 157 CO 0.14 0.08 1.01 -2.13 -0.49 0.00 0.00 175.26 173.88