#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d04 n SER 10 N 0.00 4.02 -4.37 1.08 3.41 -1.26 -4.83 113.62 111.67 3d04 n SER 10 Ca 0.00 -0.01 -0.33 0.00 -0.26 0.00 0.00 58.87 58.27 3d04 n SER 10 Cb 0.00 0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 64.22 3d04 n SER 10 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3d04 s GLN 11 N -2.09 3.39 -0.04 4.33 0.74 -1.26 -3.31 119.66 121.43 3d04 s GLN 11 Ca -0.03 -0.68 0.03 0.00 0.05 0.00 0.00 55.36 54.74 3d04 s GLN 11 Cb 0.01 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.48 3d04 s GLN 11 CO 0.13 0.21 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.89 3d04 s PHE 12 N 0.36 1.35 0.55 1.67 0.40 -0.65 -5.00 117.98 116.67 3d04 s PHE 12 Ca -0.11 -0.37 0.09 0.00 -0.60 0.00 0.00 56.93 55.95 3d04 s PHE 12 Cb -0.16 -0.93 0.07 0.00 0.51 0.00 0.00 43.02 42.51 3d04 s PHE 12 CO 0.05 -0.14 0.72 -0.06 0.70 0.00 0.00 175.22 176.50 3d04 s PHE 13 N 0.12 1.62 0.34 0.36 0.40 -1.26 -0.32 117.98 119.24 3d04 s PHE 13 Ca -0.04 -0.70 0.06 0.00 -0.60 0.00 0.00 56.93 55.66 3d04 s PHE 13 Cb -0.10 -2.20 0.73 0.00 0.51 0.00 0.00 43.02 41.97 3d04 s PHE 13 CO 0.01 -0.98 1.90 0.97 0.70 0.00 0.00 175.22 177.82 3d04 h ILE 14 N 0.31 0.93 -0.72 0.64 6.09 -1.92 -0.60 117.51 122.24 3d04 h ILE 14 Ca -0.32 -0.27 0.08 0.00 -1.37 0.00 0.00 64.86 62.98 3d04 h ILE 14 Cb 1.29 0.07 -0.07 0.00 0.47 0.00 0.00 36.82 38.59 3d04 h ILE 14 CO 0.43 0.14 0.39 -0.33 -3.07 0.00 0.00 178.15 175.72 3d04 h GLU 15 N 0.78 0.67 -0.20 2.19 4.39 -1.95 0.00 114.58 120.46 3d04 h GLU 15 Ca 0.41 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.86 3d04 h GLU 15 Cb 0.50 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3d04 h GLU 15 CO -0.17 0.44 -0.70 0.45 -1.16 0.00 0.00 179.01 177.87 3d04 h HIS 16 N 0.69 1.09 -0.78 4.33 3.86 -1.53 -3.19 115.15 119.61 3d04 h HIS 16 Ca 0.34 -0.45 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 3d04 h HIS 16 Cb 0.29 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 3d04 h HIS 16 CO -0.08 1.28 0.34 0.82 0.86 0.00 0.00 177.93 181.15 3d04 h ILE 17 N 0.59 1.25 0.00 2.45 2.04 -0.89 -2.52 117.51 120.43 3d04 h ILE 17 Ca -0.03 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 3d04 h ILE 17 Cb 1.32 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3d04 h ILE 17 CO 0.15 0.32 -0.10 -0.07 0.00 0.00 0.00 178.15 178.45 3d04 h LEU 18 N 1.12 0.00 0.00 1.44 3.38 -1.05 -0.63 115.31 119.58 3d04 h LEU 18 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3d04 h LEU 18 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3d04 h LEU 18 CO -0.03 0.10 -0.25 0.00 0.09 0.00 0.00 178.44 178.35 3d04 n GLN 19 N -4.29 0.20 -0.08 1.13 6.02 -0.96 -4.31 117.38 115.08 3d04 n GLN 19 Ca -0.03 0.12 -0.16 0.00 -0.01 0.00 0.00 57.00 56.92 3d04 n GLN 19 Cb 0.18 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 29.69 3d04 n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3d04 n ILE 20 N -2.01 0.92 -3.11 5.09 2.08 -0.96 -4.43 119.36 116.95 3d04 n ILE 20 Ca 0.05 -0.27 -0.39 0.00 0.56 0.00 0.00 62.75 62.70 3d04 n ILE 20 Cb 0.41 -1.53 -0.06 0.00 -0.75 0.00 0.00 39.64 37.71 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 -6.62 4.48 0.06 1.39 1.43 -0.28 -4.83 118.68 114.31 3d04 s LEU 21 Ca -0.23 1.35 0.28 0.00 -1.03 0.00 0.00 54.13 54.50 3d04 s LEU 21 Cb 0.08 -3.08 1.10 0.00 0.03 0.00 0.00 46.19 44.32 3d04 s LEU 21 CO 0.32 0.12 1.88 -0.81 0.23 0.00 0.00 176.35 178.09 3d04 n PRO 22 N 2.38 0.08 -1.75 1.29 -0.04 -1.26 -4.66 135.00 131.04 3d04 n PRO 22 Ca -0.06 0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 3d04 n PRO 22 Cb 0.50 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 3d04 n PRO 22 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3d04 n HIS 23 N -1.73 2.77 -4.31 0.54 8.25 -1.26 -5.03 115.22 114.44 3d04 n HIS 23 Ca 0.07 0.43 -0.18 0.00 -0.26 0.00 0.00 57.72 57.77 3d04 n HIS 23 Cb 0.37 -2.52 -0.09 0.00 1.12 0.00 0.00 29.99 28.87 3d04 n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3d04 s ARG 24 N -1.64 1.59 0.25 -0.41 1.81 -1.26 -4.63 118.95 114.66 3d04 s ARG 24 Ca 0.57 -1.91 -0.31 0.00 -1.72 0.00 0.00 55.73 52.36 3d04 s ARG 24 Cb -0.51 0.02 -0.13 0.00 -0.45 0.00 0.00 34.95 33.88 3d04 s ARG 24 CO 0.60 -0.49 1.43 0.98 -0.68 0.00 0.00 175.30 177.14 3d04 n TYR 25 N -0.56 2.27 -1.27 -0.53 4.19 -1.26 0.60 117.16 120.59 3d04 n TYR 25 Ca 0.02 0.41 -0.32 0.00 3.31 0.00 0.00 57.90 61.32 3d04 n TYR 25 Cb 0.64 -2.48 0.08 0.00 0.49 0.00 0.00 39.34 38.07 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 1.98 2.57 0.00 2.98 -0.04 -1.26 -4.93 135.00 136.30 3d04 n PRO 26 Ca 0.11 -3.06 0.00 0.00 -0.04 0.00 0.00 63.50 60.51 3d04 n PRO 26 Cb 0.32 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 -0.75 2.04 -3.03 0.54 2.81 0.20 -4.94 117.12 113.99 3d04 n MET 27 Ca 0.59 -1.18 -0.43 0.00 -1.81 0.00 0.00 57.70 54.86 3d04 n MET 27 Cb 0.66 -0.85 -0.06 0.00 -0.71 0.00 0.00 33.22 32.26 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 -0.69 4.47 -0.25 4.03 2.96 -0.90 -4.64 118.68 123.66 3d04 s LEU 28 Ca 0.00 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 53.58 3d04 s LEU 28 Cb 0.00 -2.74 0.44 0.00 0.50 0.00 0.00 46.19 44.40 3d04 s LEU 28 CO 0.00 -0.93 1.27 0.18 -1.32 0.00 0.00 176.35 175.55 3d04 n LEU 29 N 6.61 3.52 -3.72 -0.68 4.77 -1.26 -4.90 117.00 121.33 3d04 n LEU 29 Ca -0.01 -4.07 -0.20 0.00 -0.03 0.00 0.00 56.01 51.70 3d04 n LEU 29 Cb 0.47 -0.52 -0.18 0.00 -2.33 0.00 0.00 43.42 40.87 3d04 n LEU 29 CO 0.57 1.53 -0.36 -0.69 -1.33 0.00 0.00 177.39 177.11 3d04 s VAL 30 N -3.55 0.07 -0.13 4.08 1.01 -1.26 -4.58 120.40 116.04 3d04 s VAL 30 Ca 0.42 0.29 0.16 0.00 0.00 0.00 0.00 61.98 62.85 3d04 s VAL 30 Cb 0.39 -0.28 -0.24 0.00 0.00 0.00 0.00 36.38 36.25 3d04 s VAL 30 CO -0.03 0.20 0.33 0.47 0.00 0.00 0.00 175.10 176.06 3d04 n ASP 31 N 5.09 0.38 -3.57 3.32 8.00 0.30 -4.96 116.55 125.11 3d04 n ASP 31 Ca -0.08 0.18 -0.15 0.00 0.71 0.00 0.00 54.79 55.45 3d04 n ASP 31 Cb 0.50 0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 42.09 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 -2.55 0.88 -0.22 -1.24 3.52 -1.07 -3.19 118.95 115.09 3d04 s ARG 32 Ca -0.08 0.46 -0.05 0.00 -0.13 0.00 0.00 55.73 55.93 3d04 s ARG 32 Cb 0.07 0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 33.87 3d04 s ARG 32 CO 0.83 -0.23 -0.02 0.42 -0.81 0.00 0.00 175.30 175.49 3d04 s ILE 33 N -0.66 3.64 -0.13 4.11 -1.09 0.57 -1.25 121.20 126.38 3d04 s ILE 33 Ca -0.06 -0.41 0.19 0.00 -2.23 0.00 0.00 60.65 58.15 3d04 s ILE 33 Cb -0.02 -2.66 -0.26 0.00 -1.58 0.00 0.00 42.46 37.94 3d04 s ILE 33 CO 0.05 0.41 0.30 0.35 -1.23 0.00 0.00 174.94 174.82 3d04 n THR 34 N 4.67 0.94 -3.84 2.92 -2.24 -0.15 -1.63 114.28 114.95 3d04 n THR 34 Ca -0.18 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 60.75 3d04 n THR 34 Cb 0.51 -0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.24 3d04 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3d04 s GLU 35 N -2.86 0.09 -0.18 -0.78 2.02 -0.81 -4.57 118.70 111.60 3d04 s GLU 35 Ca -0.08 0.13 -0.05 0.00 0.02 0.00 0.00 54.97 54.98 3d04 s GLU 35 Cb 0.09 0.03 0.09 0.00 0.10 0.00 0.00 34.13 34.44 3d04 s GLU 35 CO 0.85 -0.02 0.34 -1.17 0.02 0.00 0.00 175.26 175.28 3d04 s LEU 36 N 0.13 -0.49 -0.27 1.80 2.96 -1.21 -1.09 118.68 120.51 3d04 s LEU 36 Ca -0.01 0.63 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 3d04 s LEU 36 Cb -0.01 1.02 0.07 0.00 0.50 0.00 0.00 46.19 47.76 3d04 s LEU 36 CO -0.00 -0.25 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.59 3d04 s GLN 37 N 2.51 2.09 0.06 1.98 -0.21 -0.30 -4.77 119.66 121.02 3d04 s GLN 37 Ca 0.03 -1.40 -0.38 0.00 0.02 0.00 0.00 55.36 53.62 3d04 s GLN 37 Cb -0.13 -2.91 -0.18 0.00 1.00 0.00 0.00 33.01 30.79 3d04 s GLN 37 CO -0.12 -0.63 1.22 0.00 -2.12 0.00 0.00 175.29 173.64 3d04 n ALA 38 N 4.42 -2.03 -0.81 6.09 0.00 -1.26 -1.13 120.51 125.79 3d04 n ALA 38 Ca -0.11 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3d04 n ALA 38 Cb 0.42 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 2.10 -0.38 0.00 0.00 4.13 -1.26 -4.75 115.26 115.10 3d04 n ASN 39 Ca 0.19 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.45 3d04 n ASN 39 Cb 0.15 -1.12 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 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 -1.94 0.00 -3.60 3.52 6.02 -0.29 -4.63 117.38 116.47 3d04 n GLN 40 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 3d04 n GLN 40 Cb 0.02 -0.03 -0.05 0.00 1.02 0.00 0.00 30.24 31.20 3d04 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3d04 s LYS 41 N -1.07 1.05 -0.03 -1.09 -2.85 -0.88 -0.44 119.74 114.44 3d04 s LYS 41 Ca 0.00 -0.46 0.02 0.00 -1.00 0.00 0.00 55.97 54.52 3d04 s LYS 41 Cb 0.00 0.47 0.01 0.00 -2.06 0.00 0.00 37.83 36.25 3d04 s LYS 41 CO 0.00 -0.40 -0.06 -1.50 0.10 0.00 0.00 175.35 173.49 3d04 s ILE 42 N -3.11 0.59 -0.18 3.79 2.07 0.16 -1.15 121.20 123.36 3d04 s ILE 42 Ca -0.01 -0.24 -0.01 0.00 -1.41 0.00 0.00 60.65 58.97 3d04 s ILE 42 Cb 0.00 -0.55 -0.00 0.00 0.13 0.00 0.00 42.46 42.04 3d04 s ILE 42 CO -0.07 0.20 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.36 3d04 s VAL 43 N 0.36 2.90 0.25 4.00 1.01 -0.25 -1.69 120.40 126.98 3d04 s VAL 43 Ca -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3d04 s VAL 43 Cb -0.09 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3d04 s VAL 43 CO 0.00 0.48 0.21 0.00 0.00 0.00 0.00 175.10 175.79 3d04 s ALA 44 N 1.09 1.29 0.09 5.51 0.00 -0.64 -0.98 121.76 128.13 3d04 s ALA 44 Ca 0.00 -1.77 -0.19 0.00 0.00 0.00 0.00 51.96 50.01 3d04 s ALA 44 Cb -0.15 1.39 0.04 0.00 0.00 0.00 0.00 23.12 24.41 3d04 s ALA 44 CO -0.03 -0.63 0.45 1.52 0.00 0.00 0.00 175.76 177.07 3d04 s TYR 45 N -3.89 -0.30 -0.09 0.00 1.13 -0.38 0.61 117.35 114.43 3d04 s TYR 45 Ca 0.38 0.13 0.02 0.00 -1.41 0.00 0.00 57.07 56.20 3d04 s TYR 45 Cb 0.05 0.30 0.01 0.00 -1.10 0.00 0.00 41.96 41.22 3d04 s TYR 45 CO 0.17 -0.68 -0.15 0.21 -2.51 0.00 0.00 175.55 172.59 3d04 s LYS 46 N -3.21 2.11 0.32 -3.49 2.20 -0.15 -0.54 119.74 116.98 3d04 s LYS 46 Ca -0.01 -0.54 -0.28 0.00 -0.36 0.00 0.00 55.97 54.78 3d04 s LYS 46 Cb 0.00 -1.73 -0.10 0.00 -1.51 0.00 0.00 37.83 34.50 3d04 s LYS 46 CO -0.08 0.02 1.17 -0.80 -0.36 0.00 0.00 175.35 175.30 3d04 s ASN 47 N 0.74 6.94 -0.22 1.43 0.01 -1.26 -1.22 114.94 121.36 3d04 s ASN 47 Ca -0.12 2.40 -0.04 0.00 -0.71 0.00 0.00 52.86 54.39 3d04 s ASN 47 Cb -0.16 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 38.86 3d04 s ASN 47 CO 0.03 -0.38 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.55 3d04 s ILE 48 N -1.23 3.33 0.06 0.60 -1.09 -0.38 -4.93 121.20 117.56 3d04 s ILE 48 Ca 0.49 -0.51 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 3d04 s ILE 48 Cb -0.34 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 3d04 s ILE 48 CO 0.44 0.43 -0.12 0.28 -1.23 0.00 0.00 174.94 174.74 3d04 s THR 49 N 1.42 0.91 0.52 2.92 -1.32 -1.26 0.19 115.64 119.02 3d04 s THR 49 Ca 0.05 -1.23 0.17 0.00 -1.21 0.00 0.00 61.69 59.47 3d04 s THR 49 Cb -0.14 -0.91 0.28 0.00 -1.51 0.00 0.00 72.50 70.21 3d04 s THR 49 CO -0.03 -0.29 2.16 0.15 -2.21 0.00 0.00 174.62 174.40 3d04 h PHE 50 N 4.35 0.00 0.00 9.09 3.57 -1.95 -3.21 116.94 128.79 3d04 h PHE 50 Ca -0.39 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 3d04 h PHE 50 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 3d04 h PHE 50 CO 0.64 0.00 -0.00 -1.71 -2.23 0.00 0.00 178.31 175.01 3d04 n ASN 51 N -4.48 3.76 -4.27 0.41 4.05 -1.26 -4.74 115.26 108.74 3d04 n ASN 51 Ca -0.03 -1.99 -0.31 0.00 0.45 0.00 0.00 54.58 52.70 3d04 n ASN 51 Cb 0.09 -0.80 -0.16 0.00 1.23 0.00 0.00 39.78 40.14 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 0.61 2.34 0.26 1.20 2.02 -1.21 -5.05 118.70 118.86 3d04 s GLU 52 Ca 0.01 -0.88 -0.03 0.00 0.02 0.00 0.00 54.97 54.09 3d04 s GLU 52 Cb 0.00 -2.06 0.42 0.00 0.10 0.00 0.00 34.13 32.60 3d04 s GLU 52 CO 0.00 0.42 1.84 0.22 0.02 0.00 0.00 175.26 177.76 3d04 h ASP 53 N 5.90 0.85 -1.20 -0.19 3.58 -1.94 -2.28 116.42 121.14 3d04 h ASP 53 Ca -0.35 0.03 0.39 0.00 0.42 0.00 0.00 57.03 57.52 3d04 h ASP 53 Cb 1.16 -0.14 -0.13 0.00 1.72 0.00 0.00 39.33 41.94 3d04 h ASP 53 CO 0.47 0.50 0.75 -0.37 -2.88 0.00 0.00 179.24 177.72 3d04 h VAL 54 N 0.96 0.20 0.00 2.25 -1.51 -1.96 -1.02 116.25 115.16 3d04 h VAL 54 Ca 0.42 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.84 3d04 h VAL 54 Cb 0.31 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 3d04 h VAL 54 CO -0.22 0.03 0.00 -0.26 -1.23 0.00 0.00 177.57 175.89 3d04 h PHE 55 N 0.16 0.00 -0.60 5.19 0.05 -1.68 -1.95 116.94 118.11 3d04 h PHE 55 Ca 0.78 0.00 0.09 0.00 3.82 0.00 0.00 57.97 62.66 3d04 h PHE 55 Cb 2.25 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 40.16 3d04 h PHE 55 CO -0.01 0.00 0.40 -0.91 -0.18 0.00 0.00 178.31 177.62 3d04 h ASN 56 N 0.00 0.39 -0.00 2.17 2.35 -1.35 -3.28 115.58 115.85 3d04 h ASN 56 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3d04 h ASN 56 Cb 0.46 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3d04 h ASN 56 CO 0.00 0.23 -0.01 0.61 -1.65 0.00 0.00 177.43 176.61 3d04 n GLY 57 N -1.51 -0.89 2.31 2.83 0.00 -0.86 -4.20 105.19 102.87 3d04 n GLY 57 Ca 0.10 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.15 -0.46 -4.44 1.61 -0.00 -0.79 -4.47 115.22 106.52 3d04 n HIS 58 Ca 0.01 -3.47 -0.22 0.00 -0.00 0.00 0.00 57.72 54.04 3d04 n HIS 58 Cb 0.03 -0.05 -0.10 0.00 -0.00 0.00 0.00 29.99 29.86 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 -0.60 2.09 0.14 1.57 0.08 0.00 -1.16 117.98 120.10 3d04 s PHE 59 Ca 0.34 -0.46 -0.35 0.00 0.12 0.00 0.00 56.93 56.58 3d04 s PHE 59 Cb 0.10 -0.99 -0.15 0.00 -0.57 0.00 0.00 43.02 41.41 3d04 s PHE 59 CO -0.15 0.55 1.40 -2.30 -0.10 0.00 0.00 175.22 174.62 3d04 n PRO 60 N -0.56 1.55 -0.69 0.24 -0.02 -1.26 -1.54 135.00 132.72 3d04 n PRO 60 Ca -0.06 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3d04 n PRO 60 Cb 0.61 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.69 -1.99 -3.18 2.55 3.02 -1.26 -4.84 115.26 112.26 3d04 n ASN 61 Ca 0.17 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.51 3d04 n ASN 61 Cb 0.24 -2.69 -0.06 0.00 -0.61 0.00 0.00 39.78 36.66 3d04 n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3d04 n LYS 62 N -1.06 0.43 -2.01 3.52 3.00 -0.59 -5.12 118.16 116.34 3d04 n LYS 62 Ca 0.00 -2.88 -0.43 0.00 -0.00 0.00 0.00 58.31 55.00 3d04 n LYS 62 Cb 0.16 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.66 3d04 n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3d04 s PRO 63 N -0.08 3.71 -0.14 1.64 0.04 -1.22 -0.82 135.00 138.12 3d04 s PRO 63 Ca 0.33 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.11 3d04 s PRO 63 Cb 0.08 -4.10 0.04 0.00 0.04 0.00 0.00 34.50 30.57 3d04 s PRO 63 CO -0.16 -1.41 -0.03 0.42 0.04 0.00 0.00 177.00 175.87 3d04 s ILE 64 N 5.63 0.82 0.04 0.56 1.01 -0.31 -4.52 121.20 124.44 3d04 s ILE 64 Ca 0.77 -0.40 -0.32 0.00 0.00 0.00 0.00 60.65 60.70 3d04 s ILE 64 Cb -0.27 -1.03 -0.11 0.00 0.01 0.00 0.00 42.46 41.06 3d04 s ILE 64 CO 0.31 0.12 1.86 0.33 0.00 0.00 0.00 174.94 177.57 3d04 n PHE 65 N 4.98 2.47 -1.71 3.97 7.35 0.84 -4.59 117.46 130.77 3d04 n PHE 65 Ca -0.10 -0.12 -0.43 0.00 -0.76 0.00 0.00 57.45 56.03 3d04 n PHE 65 Cb 0.48 -2.71 -0.02 0.00 0.35 0.00 0.00 39.48 37.58 3d04 n PHE 65 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3d04 n PRO 66 N 6.18 2.51 -0.34 -7.13 -0.02 -1.26 -4.53 135.00 130.40 3d04 n PRO 66 Ca 0.20 0.90 0.08 0.00 -2.02 0.00 0.00 63.50 62.65 3d04 n PRO 66 Cb 0.35 -2.67 0.25 0.00 -0.02 0.00 0.00 33.50 31.41 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 5.30 1.59 2.00 -1.23 0.00 -1.98 -1.77 103.07 106.98 3d04 h GLY 67 Ca -0.45 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 3d04 h GLY 67 CO 0.84 0.08 -0.11 -0.39 0.00 0.00 0.00 176.54 176.95 3d04 h VAL 68 N 0.86 0.99 0.00 4.60 -1.51 -2.00 -2.53 116.25 116.67 3d04 h VAL 68 Ca 0.50 -0.40 -0.13 0.00 -1.23 0.00 0.00 66.70 65.44 3d04 h VAL 68 Cb 0.59 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 3d04 h VAL 68 CO -0.30 0.11 -0.82 -0.07 -1.23 0.00 0.00 177.57 175.26 3d04 h LEU 69 N 0.00 0.00 0.25 4.19 3.38 -1.70 -1.97 115.31 119.46 3d04 h LEU 69 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d04 h LEU 69 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3d04 h LEU 69 CO 0.01 0.54 -0.23 0.40 0.09 0.00 0.00 178.44 179.25 3d04 h ILE 70 N 0.00 0.50 -0.94 1.22 2.04 -1.15 -1.39 117.51 117.78 3d04 h ILE 70 Ca -0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.91 3d04 h ILE 70 Cb 1.46 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 3d04 h ILE 70 CO 0.06 0.00 0.60 0.58 0.00 0.00 0.00 178.15 179.39 3d04 h VAL 71 N -0.51 0.96 -0.47 1.67 2.07 -1.45 -1.40 116.25 117.13 3d04 h VAL 71 Ca -0.01 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 3d04 h VAL 71 Cb 0.47 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3d04 h VAL 71 CO -0.04 0.17 0.12 -0.08 0.02 0.00 0.00 177.57 177.76 3d04 h GLU 72 N 0.95 0.74 -0.15 1.57 4.57 -1.22 -0.14 114.58 120.90 3d04 h GLU 72 Ca 0.44 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 58.37 3d04 h GLU 72 Cb 0.42 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3d04 h GLU 72 CO -0.20 0.73 -0.25 0.78 -1.18 0.00 0.00 179.01 178.88 3d04 h GLY 73 N 0.63 0.30 0.94 1.92 0.00 -0.68 0.49 103.07 106.66 3d04 h GLY 73 Ca 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3d04 h GLY 73 CO 0.00 0.21 -0.04 -0.33 0.00 0.00 0.00 176.54 176.38 3d04 h MET 74 N 0.25 0.67 -0.60 4.80 2.86 -1.07 -1.73 114.93 120.11 3d04 h MET 74 Ca 0.04 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3d04 h MET 74 Cb 0.59 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3d04 h MET 74 CO 0.04 0.80 0.40 0.00 1.06 0.00 0.00 176.91 179.21 3d04 h ALA 75 N 0.85 0.77 -0.81 6.32 0.00 -0.61 -0.44 119.26 125.33 3d04 h ALA 75 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3d04 h ALA 75 Cb 0.52 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3d04 h ALA 75 CO 0.03 0.19 0.43 1.96 0.00 0.00 0.00 179.25 181.86 3d04 h GLN 76 N 0.81 1.14 -0.51 0.00 4.20 -0.87 -0.02 115.11 119.85 3d04 h GLN 76 Ca 0.22 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3d04 h GLN 76 Cb -0.09 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.45 3d04 h GLN 76 CO -0.05 0.85 0.12 0.77 -0.67 0.00 0.00 178.83 179.85 3d04 h SER 77 N 1.13 0.78 -0.76 1.46 0.02 -1.06 -1.42 113.55 113.69 3d04 h SER 77 Ca 0.28 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3d04 h SER 77 Cb 0.05 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 3d04 h SER 77 CO -0.04 0.81 0.49 1.23 -1.14 0.00 0.00 176.83 178.18 3d04 h GLY 78 N 0.71 1.09 0.98 -3.77 0.00 -0.75 -1.45 103.07 99.89 3d04 h GLY 78 Ca 0.16 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3d04 h GLY 78 CO 0.00 0.34 0.14 -1.33 0.00 0.00 0.00 176.54 175.69 3d04 h GLY 79 N 0.97 0.88 0.99 4.60 0.00 -0.80 0.82 103.07 110.53 3d04 h GLY 79 Ca 0.30 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3d04 h GLY 79 CO -0.09 0.51 0.26 -2.75 0.00 0.00 0.00 176.54 174.46 3d04 h PHE 80 N 0.72 0.56 0.06 5.60 3.57 -1.15 0.42 116.94 126.71 3d04 h PHE 80 Ca 0.16 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3d04 h PHE 80 Cb 0.32 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3d04 h PHE 80 CO 0.02 0.39 -0.13 1.25 -2.23 0.00 0.00 178.31 177.61 3d04 h LEU 81 N 0.56 -0.36 0.53 0.59 5.85 -1.03 -0.69 115.31 120.76 3d04 h LEU 81 Ca 0.15 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3d04 h LEU 81 Cb -0.01 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3d04 h LEU 81 CO -0.03 -0.19 -0.39 0.00 -0.34 0.00 0.00 178.44 177.49 3d04 h ALA 82 N 0.66 -0.93 -0.18 1.25 0.00 -0.72 -1.17 119.26 118.16 3d04 h ALA 82 Ca 0.03 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3d04 h ALA 82 Cb 0.27 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3d04 h ALA 82 CO -0.09 -1.05 -0.14 0.35 0.00 0.00 0.00 179.25 178.32 3d04 h PHE 83 N -0.89 -0.36 0.00 0.00 3.57 -0.88 -1.99 116.94 116.39 3d04 h PHE 83 Ca -0.06 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3d04 h PHE 83 Cb 0.75 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3d04 h PHE 83 CO -0.15 -0.21 -0.17 1.79 -2.23 0.00 0.00 178.31 177.34 3d04 h THR 84 N -0.15 0.68 -0.59 4.41 1.35 -1.11 -1.38 112.91 116.12 3d04 h THR 84 Ca 0.11 -0.71 -0.08 0.00 -0.55 0.00 0.00 66.41 65.17 3d04 h THR 84 Cb 0.31 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 3d04 h THR 84 CO -0.27 0.17 0.04 0.28 -0.25 0.00 0.00 175.52 175.48 3d04 h SER 85 N 0.00 0.97 0.09 5.36 0.02 -0.49 0.18 113.55 119.68 3d04 h SER 85 Ca -0.00 -0.25 -0.19 0.00 -0.84 0.00 0.00 61.79 60.51 3d04 h SER 85 Cb 0.43 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 62.73 3d04 h SER 85 CO 0.02 1.00 -0.80 -0.07 -1.14 0.00 0.00 176.83 175.84 3d04 h LEU 86 N 0.93 0.55 -0.44 5.07 -0.00 -0.86 -3.42 115.31 117.14 3d04 h LEU 86 Ca 0.18 -0.87 0.00 0.00 -0.00 0.00 0.00 57.88 57.19 3d04 h LEU 86 Cb 0.48 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 3d04 h LEU 86 CO 0.02 1.36 0.00 0.79 -0.00 0.00 0.00 178.44 180.61 3d04 n TRP 87 N -4.11 0.00 -4.65 1.13 8.01 -0.58 -5.13 117.44 112.10 3d04 n TRP 87 Ca -0.13 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 3d04 n TRP 87 Cb 0.79 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.09 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 0.13 -0.14 3.56 6.99 0.00 0.63 -4.26 105.19 112.11 3d04 n GLY 88 Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 2.10 -0.44 1.61 5.36 -1.26 -4.39 117.98 120.96 3d04 s PHE 89 Ca 0.00 0.02 0.02 0.00 -0.96 0.00 0.00 56.93 56.01 3d04 s PHE 89 Cb 0.00 -4.28 0.13 0.00 -0.34 0.00 0.00 43.02 38.54 3d04 s PHE 89 CO 0.00 -1.73 0.23 0.34 -1.46 0.00 0.00 175.22 172.61 3d04 s ASP 90 N 6.67 3.69 0.43 6.13 -1.08 -1.26 -4.99 116.67 126.25 3d04 s ASP 90 Ca 0.62 -2.60 0.09 0.00 -0.52 0.00 0.00 52.55 50.14 3d04 s ASP 90 Cb -0.03 -1.05 0.94 0.00 -1.46 0.00 0.00 42.92 41.32 3d04 s ASP 90 CO -0.01 -0.27 2.08 -0.65 0.52 0.00 0.00 175.17 176.84 3d04 h PRO 91 N 6.77 0.43 -0.14 4.34 0.11 -1.90 -1.06 132.00 140.56 3d04 h PRO 91 Ca -0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3d04 h PRO 91 Cb 0.93 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3d04 h PRO 91 CO 0.49 0.29 0.03 1.49 -0.21 0.00 0.00 178.00 180.08 3d04 h GLU 92 N 0.45 0.23 -0.03 1.05 4.81 -1.94 -2.86 114.58 116.29 3d04 h GLU 92 Ca 0.12 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 3d04 h GLU 92 Cb -0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3d04 h GLU 92 CO -0.03 0.40 -0.51 0.82 -0.73 0.00 0.00 179.01 178.96 3d04 h ILE 93 N 0.03 1.37 -0.88 2.32 2.04 -1.93 -3.21 117.51 117.24 3d04 h ILE 93 Ca 0.04 -1.77 0.09 0.00 1.00 0.00 0.00 64.86 64.22 3d04 h ILE 93 Cb 0.28 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 3d04 h ILE 93 CO 0.00 0.51 0.53 0.00 0.00 0.00 0.00 178.15 179.20 3d04 h ALA 94 N 1.41 1.26 0.00 1.87 0.00 -0.98 -1.28 119.26 121.54 3d04 h ALA 94 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3d04 h ALA 94 Cb 0.93 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3d04 h ALA 94 CO 0.07 0.19 0.00 0.87 0.00 0.00 0.00 179.25 180.38 3d04 h LYS 95 N 0.90 0.00 -0.02 0.00 1.57 -1.51 -2.66 116.57 114.86 3d04 h LYS 95 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3d04 h LYS 95 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3d04 h LYS 95 CO -0.23 0.00 -0.19 0.25 -0.57 0.00 0.00 179.45 178.72 3d04 n THR 96 N -2.80 0.00 -4.28 -0.16 -2.24 -0.49 -4.84 114.28 99.47 3d04 n THR 96 Ca -0.02 -0.41 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 3d04 n THR 96 Cb 0.07 1.32 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.89 1.94 0.04 -0.78 -0.14 -1.00 -0.43 119.74 117.47 3d04 s LYS 97 Ca 0.20 -1.17 0.07 0.00 -1.36 0.00 0.00 55.97 53.70 3d04 s LYS 97 Cb 0.16 -2.17 -0.02 0.00 -1.68 0.00 0.00 37.83 34.12 3d04 s LYS 97 CO 0.36 0.47 -0.19 0.96 -0.76 0.00 0.00 175.35 176.19 3d04 s ILE 98 N -1.33 1.55 -0.53 2.17 -4.36 0.23 -4.56 121.20 114.37 3d04 s ILE 98 Ca 0.21 -1.13 -0.04 0.00 -0.26 0.00 0.00 60.65 59.43 3d04 s ILE 98 Cb -0.10 -1.35 0.14 0.00 1.25 0.00 0.00 42.46 42.40 3d04 s ILE 98 CO 0.12 0.19 0.35 -0.69 0.24 0.00 0.00 174.94 175.15 3d04 s VAL 99 N -0.78 3.73 -0.25 8.37 1.01 -1.26 -1.65 120.40 129.57 3d04 s VAL 99 Ca 0.06 -2.40 -0.21 0.00 0.00 0.00 0.00 61.98 59.43 3d04 s VAL 99 Cb -0.08 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3d04 s VAL 99 CO 0.01 -0.80 0.68 -0.47 0.00 0.00 0.00 175.10 174.53 3d04 s TYR 100 N 0.64 3.29 -0.20 5.22 5.04 -0.18 -4.86 117.35 126.30 3d04 s TYR 100 Ca 0.12 0.91 -0.25 0.00 -2.44 0.00 0.00 57.07 55.40 3d04 s TYR 100 Cb -0.22 -2.90 -0.01 0.00 0.35 0.00 0.00 41.96 39.19 3d04 s TYR 100 CO -0.04 -0.34 0.85 -0.06 -1.34 0.00 0.00 175.55 174.62 3d04 s PHE 101 N 2.58 3.37 -0.20 4.97 0.40 -1.26 -0.31 117.98 127.53 3d04 s PHE 101 Ca 0.29 1.23 -0.04 0.00 -0.60 0.00 0.00 56.93 57.81 3d04 s PHE 101 Cb -0.15 -3.05 -0.21 0.00 0.51 0.00 0.00 43.02 40.12 3d04 s PHE 101 CO 0.08 -0.33 0.03 -1.33 0.70 0.00 0.00 175.22 174.38 3d04 n MET 102 N 5.64 0.69 -4.07 0.44 2.81 0.33 -4.98 117.12 117.97 3d04 n MET 102 Ca 0.06 0.23 -0.08 0.00 -1.81 0.00 0.00 57.70 56.10 3d04 n MET 102 Cb 0.48 -1.61 -0.10 0.00 -0.71 0.00 0.00 33.22 31.28 3d04 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3d04 s THR 103 N -2.53 0.23 -0.01 2.03 -4.23 -1.14 -5.02 115.64 104.98 3d04 s THR 103 Ca -0.30 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 3d04 s THR 103 Cb 0.08 -1.19 0.01 0.00 1.34 0.00 0.00 72.50 72.74 3d04 s THR 103 CO 0.66 -0.85 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.25 3d04 s ILE 104 N -3.22 0.12 0.09 2.99 1.01 -1.26 -2.18 121.20 118.75 3d04 s ILE 104 Ca 0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.52 3d04 s ILE 104 Cb 0.03 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.37 3d04 s ILE 104 CO -0.07 0.07 0.31 -1.81 0.00 0.00 0.00 174.94 173.44 3d04 s ASP 105 N 0.32 -0.10 -1.50 3.58 1.11 0.03 -4.96 116.67 115.15 3d04 s ASP 105 Ca -0.03 -0.38 -0.11 0.00 0.18 0.00 0.00 52.55 52.21 3d04 s ASP 105 Cb -0.05 0.40 0.07 0.00 1.07 0.00 0.00 42.92 44.41 3d04 s ASP 105 CO -0.01 -0.75 0.87 0.29 1.18 0.00 0.00 175.17 176.75 3d04 n LYS 106 N 0.04 -5.00 -3.41 8.23 4.76 -1.26 -0.50 118.16 121.03 3d04 n LYS 106 Ca -0.16 0.56 -0.37 0.00 -2.87 0.00 0.00 58.31 55.47 3d04 n LYS 106 Cb 0.62 -5.32 -0.06 0.00 -1.84 0.00 0.00 35.03 28.43 3d04 n LYS 106 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3d04 s VAL 107 N -3.42 5.24 -0.03 -0.18 0.11 -1.25 -3.99 120.40 116.88 3d04 s VAL 107 Ca 0.49 0.77 0.02 0.00 -2.93 0.00 0.00 61.98 60.33 3d04 s VAL 107 Cb -0.25 -3.73 0.01 0.00 -1.53 0.00 0.00 36.38 30.87 3d04 s VAL 107 CO 0.84 0.35 -0.06 -0.54 -3.33 0.00 0.00 175.10 172.36 3d04 s LYS 108 N 0.59 0.73 -0.22 1.54 1.02 -0.87 -4.98 119.74 117.56 3d04 s LYS 108 Ca 0.22 -0.18 -0.06 0.00 0.02 0.00 0.00 55.97 55.97 3d04 s LYS 108 Cb -0.14 -0.72 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 3d04 s LYS 108 CO 0.07 0.03 0.04 -0.06 -0.92 0.00 0.00 175.35 174.51 3d04 s PHE 109 N 0.42 3.09 -0.20 3.18 0.40 -1.26 -1.80 117.98 121.81 3d04 s PHE 109 Ca -0.06 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 55.91 3d04 s PHE 109 Cb -0.09 -2.14 -0.12 0.00 0.51 0.00 0.00 43.02 41.17 3d04 s PHE 109 CO 0.00 -0.22 -0.20 0.54 0.70 0.00 0.00 175.22 176.04 3d04 n ARG 110 N 4.40 0.48 -4.22 0.44 1.74 -0.06 -4.99 116.66 114.45 3d04 n ARG 110 Ca -0.17 0.13 -0.20 0.00 -0.77 0.00 0.00 57.85 56.84 3d04 n ARG 110 Cb 0.52 -1.36 -0.16 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.39 0.60 0.60 0.55 1.01 -1.16 -5.06 121.20 115.35 3d04 s ILE 111 Ca -0.27 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.02 3d04 s ILE 111 Cb 0.08 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 3d04 s ILE 111 CO 0.44 0.24 1.32 -2.16 0.00 0.00 0.00 174.94 174.78 3d04 s PRO 112 N 0.87 2.82 -0.13 2.79 0.04 -1.26 -4.81 135.00 135.31 3d04 s PRO 112 Ca -0.12 2.14 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 3d04 s PRO 112 Cb -0.15 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3d04 s PRO 112 CO 0.01 -1.42 -0.00 0.08 0.04 0.00 0.00 177.00 175.71 3d04 s VAL 113 N -1.35 4.25 0.10 -0.36 1.01 -1.26 -5.04 120.40 117.74 3d04 s VAL 113 Ca 0.78 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.53 3d04 s VAL 113 Cb -0.39 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3d04 s VAL 113 CO 0.43 0.53 -0.06 0.42 0.00 0.00 0.00 175.10 176.42 3d04 s THR 114 N -0.11 0.64 0.17 3.92 -4.23 -1.26 -0.11 115.64 114.66 3d04 s THR 114 Ca 0.04 -1.93 -0.33 0.00 -1.18 0.00 0.00 61.69 58.30 3d04 s THR 114 Cb -0.13 -1.69 -0.16 0.00 1.34 0.00 0.00 72.50 71.87 3d04 s THR 114 CO 0.02 -0.87 1.19 -2.65 -0.54 0.00 0.00 174.62 171.77 3d04 n PRO 115 N -0.04 1.22 0.00 3.99 -0.02 -1.26 -1.91 135.00 136.99 3d04 n PRO 115 Ca -0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3d04 n PRO 115 Cb 0.61 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 2.05 1.24 3.80 -1.23 0.00 0.13 -4.91 105.19 106.27 3d04 n GLY 116 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.74 7.19 -0.51 1.61 -0.00 -0.80 -4.92 116.67 117.50 3d04 s ASP 117 Ca 0.00 1.56 -0.15 0.00 -0.00 0.00 0.00 52.55 53.96 3d04 s ASP 117 Cb 0.00 -2.47 0.11 0.00 -0.00 0.00 0.00 42.92 40.56 3d04 s ASP 117 CO 0.00 0.05 0.44 -0.60 -0.00 0.00 0.00 175.17 175.05 3d04 s ARG 118 N -1.82 2.90 -0.56 8.23 3.52 -1.26 -1.25 118.95 128.70 3d04 s ARG 118 Ca 0.43 -1.61 -0.25 0.00 -0.13 0.00 0.00 55.73 54.18 3d04 s ARG 118 Cb -0.18 -4.18 0.04 0.00 -1.56 0.00 0.00 34.95 29.07 3d04 s ARG 118 CO 0.23 -1.21 0.98 -1.17 -0.81 0.00 0.00 175.30 173.32 3d04 s LEU 119 N 1.57 4.02 -0.26 -0.88 2.96 -0.36 -4.42 118.68 121.31 3d04 s LEU 119 Ca 0.04 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 3d04 s LEU 119 Cb -0.28 -2.86 -0.05 0.00 0.50 0.00 0.00 46.19 43.51 3d04 s LEU 119 CO 0.03 -1.27 0.18 -0.70 -1.32 0.00 0.00 176.35 173.27 3d04 s GLU 120 N 4.10 4.00 -0.25 1.98 2.12 0.44 -0.97 118.70 130.11 3d04 s GLU 120 Ca 0.32 -0.29 -0.16 0.00 0.36 0.00 0.00 54.97 55.19 3d04 s GLU 120 Cb -0.12 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 3d04 s GLU 120 CO 0.20 -0.09 0.42 0.71 -0.54 0.00 0.00 175.26 175.96 3d04 s TYR 121 N 1.50 3.28 -0.32 5.30 1.51 0.20 0.15 117.35 128.98 3d04 s TYR 121 Ca 0.07 0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 56.63 3d04 s TYR 121 Cb -0.15 -2.60 0.05 0.00 -0.11 0.00 0.00 41.96 39.15 3d04 s TYR 121 CO 0.09 -0.19 0.05 -1.01 -1.11 0.00 0.00 175.55 173.37 3d04 s HIS 122 N 1.96 3.29 0.02 2.71 3.76 0.14 -1.61 115.29 125.56 3d04 s HIS 122 Ca 0.18 -1.80 0.06 0.00 -0.15 0.00 0.00 55.06 53.34 3d04 s HIS 122 Cb -0.15 -2.26 -0.02 0.00 1.11 0.00 0.00 32.58 31.26 3d04 s HIS 122 CO 0.09 -0.80 -0.17 -0.51 -0.85 0.00 0.00 174.74 172.50 3d04 s LEU 123 N 1.28 2.11 0.07 0.89 1.43 -0.68 -0.22 118.68 123.57 3d04 s LEU 123 Ca -0.03 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3d04 s LEU 123 Cb -0.20 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 3d04 s LEU 123 CO -0.00 0.14 -0.13 -1.83 0.23 0.00 0.00 176.35 174.75 3d04 s GLU 124 N -0.85 0.79 -0.13 1.70 -1.05 0.10 -0.67 118.70 118.60 3d04 s GLU 124 Ca 0.05 -0.95 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 3d04 s GLU 124 Cb -0.07 -0.74 -0.03 0.00 -0.44 0.00 0.00 34.13 32.84 3d04 s GLU 124 CO 0.01 0.16 1.38 0.08 0.95 0.00 0.00 175.26 177.83 3d04 s VAL 125 N -1.37 4.07 -0.10 1.83 1.01 0.41 -1.45 120.40 124.80 3d04 s VAL 125 Ca -0.02 1.30 0.16 0.00 0.00 0.00 0.00 61.98 63.41 3d04 s VAL 125 Cb -0.09 -3.84 -0.21 0.00 0.00 0.00 0.00 36.38 32.24 3d04 s VAL 125 CO 0.02 -0.11 0.58 0.18 0.00 0.00 0.00 175.10 175.77 3d04 n LEU 126 N 6.72 0.63 -3.64 3.92 4.77 0.18 -4.94 117.00 124.64 3d04 n LEU 126 Ca 0.15 0.29 -0.03 0.00 -0.03 0.00 0.00 56.01 56.39 3d04 n LEU 126 Cb 0.44 0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.67 3d04 n LEU 126 CO 0.58 0.31 0.68 -0.75 -1.33 0.00 0.00 177.39 176.87 3d04 s LYS 127 N -2.74 0.39 -0.19 3.23 2.20 -0.92 -4.99 119.74 116.72 3d04 s LYS 127 Ca -0.05 0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 56.21 3d04 s LYS 127 Cb 0.08 0.09 0.05 0.00 -1.51 0.00 0.00 37.83 36.54 3d04 s LYS 127 CO 0.83 -0.08 -0.03 -1.58 -0.36 0.00 0.00 175.35 174.12 3d04 s HIS 128 N 1.27 1.74 -0.28 4.03 5.65 -1.26 0.21 115.29 126.66 3d04 s HIS 128 Ca -0.08 -1.22 -0.01 0.00 0.25 0.00 0.00 55.06 54.00 3d04 s HIS 128 Cb -0.04 -1.32 0.09 0.00 -1.18 0.00 0.00 32.58 30.13 3d04 s HIS 128 CO -0.14 -0.66 0.06 0.15 -0.65 0.00 0.00 174.74 173.50 3d04 s LYS 129 N 1.62 0.87 7.87 2.88 -0.14 -0.54 -5.03 119.74 127.27 3d04 s LYS 129 Ca -0.02 -0.97 0.00 0.00 -1.36 0.00 0.00 55.97 53.63 3d04 s LYS 129 Cb -0.17 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 3d04 s LYS 129 CO -0.07 -0.86 0.00 0.41 -0.76 0.00 0.00 175.35 174.07 3d04 n GLY 130 N 4.83 3.59 0.07 -3.33 0.00 -1.26 -2.17 105.19 106.92 3d04 n GLY 130 Ca -0.05 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 13.49 0.22 -3.12 1.61 2.81 -1.26 -4.83 117.12 126.04 3d04 n MET 131 Ca 0.00 0.13 -0.40 0.00 -1.81 0.00 0.00 57.70 55.62 3d04 n MET 131 Cb 0.00 -1.71 -0.06 0.00 -0.71 0.00 0.00 33.22 30.74 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 -3.10 5.00 -0.14 2.02 -1.09 -0.92 -0.73 121.20 122.24 3d04 s ILE 132 Ca 0.10 1.14 -0.01 0.00 -2.23 0.00 0.00 60.65 59.65 3d04 s ILE 132 Cb 0.14 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 3d04 s ILE 132 CO 0.63 0.06 -0.12 0.26 -1.23 0.00 0.00 174.94 174.54 3d04 s TRP 133 N 2.28 2.83 -0.22 3.97 0.52 0.45 -1.47 118.94 127.30 3d04 s TRP 133 Ca 0.27 -0.71 -0.04 0.00 0.02 0.00 0.00 56.10 55.64 3d04 s TRP 133 Cb -0.16 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.28 3d04 s TRP 133 CO 0.09 -0.27 -0.04 -1.14 0.02 0.00 0.00 176.95 175.61 3d04 s GLN 134 N 0.50 3.39 0.12 4.98 0.74 0.13 0.13 119.66 129.65 3d04 s GLN 134 Ca -0.09 -0.62 0.08 0.00 0.05 0.00 0.00 55.36 54.78 3d04 s GLN 134 Cb -0.16 -3.00 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 3d04 s GLN 134 CO 0.04 -0.17 -0.19 0.08 -0.55 0.00 0.00 175.29 174.50 3d04 s VAL 135 N 1.42 1.68 0.10 1.34 1.01 0.13 0.50 120.40 126.58 3d04 s VAL 135 Ca 0.05 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.11 3d04 s VAL 135 Cb -0.14 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.69 3d04 s VAL 135 CO -0.03 -0.19 0.68 -0.83 0.00 0.00 0.00 175.10 174.74 3d04 s GLY 136 N -2.21 -0.57 0.00 4.51 0.00 -0.53 0.20 107.32 108.72 3d04 s GLY 136 Ca 0.09 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.50 3d04 s GLY 136 CO 0.05 0.25 0.00 0.61 0.00 0.00 0.00 173.10 174.01 3d04 n GLY 137 N -0.27 -0.54 3.18 0.20 0.00 -0.67 -0.72 105.19 106.37 3d04 n GLY 137 Ca -0.15 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 0.60 -0.10 2.61 -4.23 0.70 -1.86 115.64 109.35 3d04 s THR 138 Ca 0.00 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 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 -0.72 -0.07 0.00 -0.54 0.00 0.00 174.62 173.29 3d04 s ALA 139 N -3.70 2.91 0.05 3.99 0.00 0.39 0.26 121.76 125.66 3d04 s ALA 139 Ca 0.16 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.30 3d04 s ALA 139 Cb 0.06 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3d04 s ALA 139 CO -0.02 0.41 -0.14 -0.65 0.00 0.00 0.00 175.76 175.36 3d04 s GLN 140 N -0.25 0.87 -0.11 0.00 -0.21 0.12 -0.29 119.66 119.79 3d04 s GLN 140 Ca 0.03 -0.81 -0.00 0.00 0.02 0.00 0.00 55.36 54.60 3d04 s GLN 140 Cb -0.13 -0.87 0.02 0.00 1.00 0.00 0.00 33.01 33.03 3d04 s GLN 140 CO 0.03 0.21 -0.07 0.08 -2.12 0.00 0.00 175.29 173.41 3d04 s VAL 141 N -0.99 0.98 -1.39 1.09 1.01 -0.63 -0.42 120.40 120.04 3d04 s VAL 141 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 3d04 s VAL 141 Cb -0.09 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.32 3d04 s VAL 141 CO 0.02 0.36 0.68 -0.67 0.00 0.00 0.00 175.10 175.48 3d04 n ASP 142 N 4.88 -1.68 0.00 3.32 2.03 -1.26 -2.20 116.55 121.64 3d04 n ASP 142 Ca -0.13 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.31 3d04 n ASP 142 Cb 0.50 -3.70 0.00 0.00 -0.72 0.00 0.00 41.12 37.20 3d04 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3d04 n GLY 143 N -1.70 2.19 3.83 0.27 0.00 -1.26 -5.00 105.19 103.53 3d04 n GLY 143 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.03 3.72 -0.05 1.61 1.02 -0.93 -5.07 119.74 120.00 3d04 s LYS 144 Ca 0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 3d04 s LYS 144 Cb 0.00 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 3d04 s LYS 144 CO 0.00 0.64 1.45 0.08 -0.92 0.00 0.00 175.35 176.60 3d04 s VAL 145 N -0.68 3.78 -0.10 3.17 1.01 -1.26 -1.60 120.40 124.72 3d04 s VAL 145 Ca 0.16 1.06 0.10 0.00 0.00 0.00 0.00 61.98 63.30 3d04 s VAL 145 Cb -0.13 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 3d04 s VAL 145 CO 0.05 -0.05 0.06 0.52 0.00 0.00 0.00 175.10 175.67 3d04 n VAL 146 N 5.08 0.67 -3.57 2.92 0.31 0.60 -4.58 118.33 119.76 3d04 n VAL 146 Ca 0.15 -0.44 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 3d04 n VAL 146 Cb 0.44 -0.63 -0.05 0.00 -0.91 0.00 0.00 33.84 32.69 3d04 n VAL 146 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d04 s ALA 147 N -2.31 -1.23 0.03 3.52 0.00 -1.00 -0.88 121.76 119.89 3d04 s ALA 147 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3d04 s ALA 147 Cb 0.04 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 3d04 s ALA 147 CO 0.45 -0.59 -0.04 -1.83 0.00 0.00 0.00 175.76 173.75 3d04 s GLU 148 N -3.08 0.44 0.01 0.00 -1.05 -0.75 -0.46 118.70 113.80 3d04 s GLU 148 Ca -0.02 -0.81 -0.28 0.00 -0.15 0.00 0.00 54.97 53.71 3d04 s GLU 148 Cb 0.00 0.07 0.08 0.00 -0.44 0.00 0.00 34.13 33.84 3d04 s GLU 148 CO -0.07 -0.05 0.74 0.00 0.95 0.00 0.00 175.26 176.83 3d04 s ALA 149 N -2.15 -1.75 0.03 -0.84 0.00 -0.78 -2.06 121.76 114.22 3d04 s ALA 149 Ca -0.08 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.01 3d04 s ALA 149 Cb -0.05 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3d04 s ALA 149 CO -0.03 -0.54 -0.24 -1.21 0.00 0.00 0.00 175.76 173.74 3d04 s GLU 150 N -2.30 1.93 -0.01 0.00 2.02 0.35 -1.67 118.70 119.02 3d04 s GLU 150 Ca -0.03 -1.04 -0.03 0.00 0.02 0.00 0.00 54.97 53.89 3d04 s GLU 150 Cb -0.01 -2.05 -0.00 0.00 0.10 0.00 0.00 34.13 32.17 3d04 s GLU 150 CO -0.02 0.53 0.05 -0.51 0.02 0.00 0.00 175.26 175.33 3d04 s LEU 151 N -1.18 1.86 -0.07 1.80 1.02 0.13 -0.79 118.68 121.45 3d04 s LEU 151 Ca 0.12 -0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.17 3d04 s LEU 151 Cb -0.10 0.27 0.01 0.00 0.02 0.00 0.00 46.19 46.39 3d04 s LEU 151 CO 0.02 -0.17 -0.15 -0.75 0.02 0.00 0.00 176.35 175.32 3d04 s LYS 152 N -0.69 2.00 0.19 1.70 2.20 -0.93 0.19 119.74 124.40 3d04 s LYS 152 Ca -0.08 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.09 3d04 s LYS 152 Cb -0.05 -1.61 -0.05 0.00 -1.51 0.00 0.00 37.83 34.61 3d04 s LYS 152 CO 0.00 0.05 -0.13 0.00 -0.36 0.00 0.00 175.35 174.91 3d04 s ALA 153 N 0.63 1.88 -0.06 3.13 0.00 0.12 -0.51 121.76 126.95 3d04 s ALA 153 Ca -0.15 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.22 3d04 s ALA 153 Cb -0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 3d04 s ALA 153 CO 0.04 0.01 -0.19 1.41 0.00 0.00 0.00 175.76 177.04 3d04 s MET 154 N -3.68 2.17 0.05 0.00 1.75 0.58 -0.41 119.30 119.76 3d04 s MET 154 Ca 0.21 -0.67 -0.24 0.00 -1.25 0.00 0.00 55.69 53.74 3d04 s MET 154 Cb 0.00 -1.78 -0.06 0.00 2.84 0.00 0.00 34.83 35.83 3d04 s MET 154 CO 0.05 0.20 0.74 0.42 -0.65 0.00 0.00 175.02 175.79 3d04 s ILE 155 N 0.21 4.72 0.24 10.11 -1.09 0.09 -1.01 121.20 134.48 3d04 s ILE 155 Ca -0.10 1.58 -0.14 0.00 -2.23 0.00 0.00 60.65 59.77 3d04 s ILE 155 Cb -0.14 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 3d04 s ILE 155 CO 0.04 0.39 0.50 0.00 -1.23 0.00 0.00 174.94 174.64 3d04 s ALA 156 N -0.18 -0.40 0.20 9.38 0.00 -0.66 -4.86 121.76 125.24 3d04 s ALA 156 Ca 0.37 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 3d04 s ALA 156 Cb -0.20 1.02 -0.08 0.00 0.00 0.00 0.00 23.12 23.85 3d04 s ALA 156 CO 0.22 -0.86 0.91 -1.21 0.00 0.00 0.00 175.76 174.83 3d04 s GLU 157 N -3.99 4.78 0.00 0.00 0.41 -1.26 -0.60 118.70 118.04 3d04 s GLU 157 Ca 0.20 1.42 0.17 0.00 -0.41 0.00 0.00 54.97 56.35 3d04 s GLU 157 Cb -0.01 -3.30 1.00 0.00 -1.78 0.00 0.00 34.13 30.04 3d04 s GLU 157 CO 0.07 0.47 1.40 -2.13 -0.49 0.00 0.00 175.26 174.59