#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d39 s ILE 1 N 0.00 1.38 -0.05 3.17 1.09 -1.26 -5.14 121.20 120.40 3d39 s ILE 1 Ca 0.00 -0.66 -0.00 0.00 -1.10 0.00 0.00 60.65 58.89 3d39 s ILE 1 Cb 0.00 -1.21 -0.03 0.00 -1.06 0.00 0.00 42.46 40.15 3d39 s ILE 1 CO 0.00 0.40 -0.00 -1.10 -0.10 0.00 0.00 174.94 174.14 3d39 s GLN 2 N 0.29 2.88 -0.02 2.79 -0.21 -1.26 -4.16 119.66 119.96 3d39 s GLN 2 Ca -0.09 -0.51 -0.00 0.00 0.02 0.00 0.00 55.36 54.78 3d39 s GLN 2 Cb -0.14 -2.72 0.03 0.00 1.00 0.00 0.00 33.01 31.18 3d39 s GLN 2 CO 0.03 0.67 0.03 1.03 -2.12 0.00 0.00 175.29 174.93 3d39 s ARG 3 N -1.18 -0.00 0.16 2.91 0.52 0.93 -4.88 118.95 117.40 3d39 s ARG 3 Ca 0.16 0.19 -0.31 0.00 -0.52 0.00 0.00 55.73 55.25 3d39 s ARG 3 Cb -0.11 -0.30 -0.09 0.00 0.52 0.00 0.00 34.95 34.97 3d39 s ARG 3 CO 0.06 -0.18 1.38 0.95 0.02 0.00 0.00 175.30 177.53 3d39 s THR 4 N 1.15 3.14 0.49 0.02 -4.23 -1.26 -2.64 115.64 112.31 3d39 s THR 4 Ca -0.08 0.87 -0.22 0.00 -1.18 0.00 0.00 61.69 61.08 3d39 s THR 4 Cb -0.13 -3.56 -0.07 0.00 1.34 0.00 0.00 72.50 70.09 3d39 s THR 4 CO -0.03 0.10 1.20 -2.16 -0.54 0.00 0.00 174.62 173.19 3d39 s PRO 5 N 0.54 3.57 -0.16 3.99 0.04 -1.26 -4.49 135.00 137.22 3d39 s PRO 5 Ca 0.62 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 63.31 3d39 s PRO 5 Cb -0.38 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 3d39 s PRO 5 CO 0.34 -0.73 0.60 0.15 0.04 0.00 0.00 177.00 177.40 3d39 s LYS 6 N -2.82 4.27 -0.16 4.56 1.02 0.18 -4.88 119.74 121.90 3d39 s LYS 6 Ca 0.67 0.60 -0.05 0.00 0.02 0.00 0.00 55.97 57.20 3d39 s LYS 6 Cb -0.31 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 3d39 s LYS 6 CO 0.36 -0.10 -0.00 0.42 -0.92 0.00 0.00 175.35 175.11 3d39 s ILE 7 N 1.46 4.19 -0.13 2.17 1.01 -1.26 -1.41 121.20 127.23 3d39 s ILE 7 Ca 0.29 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.71 3d39 s ILE 7 Cb -0.16 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.47 3d39 s ILE 7 CO 0.11 0.48 -0.17 -1.10 0.00 0.00 0.00 174.94 174.26 3d39 s GLN 8 N 0.36 2.49 -0.16 2.79 -0.21 -0.66 -4.99 119.66 119.28 3d39 s GLN 8 Ca -0.02 -0.66 -0.02 0.00 0.02 0.00 0.00 55.36 54.69 3d39 s GLN 8 Cb -0.14 -2.10 -0.02 0.00 1.00 0.00 0.00 33.01 31.75 3d39 s GLN 8 CO 0.02 -0.08 -0.09 0.08 -2.12 0.00 0.00 175.29 173.10 3d39 s VAL 9 N 1.02 3.31 0.13 1.09 1.01 -1.26 -0.84 120.40 124.87 3d39 s VAL 9 Ca -0.05 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 3d39 s VAL 9 Cb -0.15 -2.43 0.08 0.00 0.00 0.00 0.00 36.38 33.88 3d39 s VAL 9 CO -0.03 0.50 1.08 -0.72 0.00 0.00 0.00 175.10 175.92 3d39 s TYR 10 N 0.61 0.00 0.18 5.22 1.13 -0.83 -4.53 117.35 119.13 3d39 s TYR 10 Ca -0.05 -0.31 0.11 0.00 -1.41 0.00 0.00 57.07 55.41 3d39 s TYR 10 Cb -0.15 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 3d39 s TYR 10 CO 0.03 -0.74 -0.24 -1.54 -2.51 0.00 0.00 175.55 170.55 3d39 s SER 11 N -3.28 3.45 0.06 -0.18 1.04 -1.26 -0.06 113.70 113.47 3d39 s SER 11 Ca 0.19 -0.83 -0.21 0.00 0.48 0.00 0.00 55.95 55.58 3d39 s SER 11 Cb -0.01 -0.27 -0.12 0.00 0.10 0.00 0.00 66.02 65.71 3d39 s SER 11 CO 0.03 0.13 1.52 -0.09 0.98 0.00 0.00 173.24 175.80 3d39 h ARG 12 N 3.31 0.23 -6.19 4.02 2.43 -1.87 -3.45 114.38 112.86 3d39 h ARG 12 Ca -0.47 -0.07 -0.52 0.00 -0.81 0.00 0.00 59.98 58.11 3d39 h ARG 12 Cb 1.20 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.67 3d39 h ARG 12 CO 0.47 0.43 -0.54 -1.01 -1.51 0.00 0.00 179.97 177.81 3d39 s HIS 13 N -5.11 2.95 0.15 2.20 3.76 -1.26 -5.07 115.29 112.91 3d39 s HIS 13 Ca -0.14 -0.19 -0.31 0.00 -0.15 0.00 0.00 55.06 54.27 3d39 s HIS 13 Cb 0.06 -1.44 -0.10 0.00 1.11 0.00 0.00 32.58 32.21 3d39 s HIS 13 CO 0.71 0.48 1.63 -2.14 -0.85 0.00 0.00 174.74 174.56 3d39 s PRO 14 N -3.83 4.19 -0.22 8.40 0.02 -1.26 -4.93 135.00 137.38 3d39 s PRO 14 Ca 0.34 2.41 -0.27 0.00 0.02 0.00 0.00 61.00 63.50 3d39 s PRO 14 Cb -0.07 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3d39 s PRO 14 CO 0.24 -0.68 0.96 0.00 -0.33 0.00 0.00 177.00 177.19 3d39 s ALA 15 N 1.59 3.64 -0.17 -1.55 0.00 -1.26 -5.02 121.76 118.98 3d39 s ALA 15 Ca 0.72 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.79 3d39 s ALA 15 Cb -0.44 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.26 3d39 s ALA 15 CO 0.32 -0.94 -0.20 -1.21 0.00 0.00 0.00 175.76 173.72 3d39 s GLU 16 N 2.91 3.00 -0.05 0.00 2.02 -1.26 -5.09 118.70 120.23 3d39 s GLU 16 Ca 0.41 -0.83 -0.38 0.00 0.02 0.00 0.00 54.97 54.19 3d39 s GLU 16 Cb -0.15 -2.56 -0.17 0.00 0.10 0.00 0.00 34.13 31.35 3d39 s GLU 16 CO 0.08 -0.18 1.46 0.09 0.02 0.00 0.00 175.26 176.73 3d39 n ASN 17 N 4.54 1.78 0.00 -0.19 3.02 -1.26 -1.54 115.26 121.61 3d39 n ASN 17 Ca -0.21 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 3d39 n ASN 17 Cb 0.50 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 3d39 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d39 n GLY 18 N 3.05 2.44 3.86 7.41 0.00 -0.83 -5.02 105.19 116.11 3d39 n GLY 18 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3d39 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d39 s LYS 19 N -0.64 3.66 0.52 1.61 1.02 -0.59 -4.99 119.74 120.34 3d39 s LYS 19 Ca 0.00 0.10 -0.21 0.00 0.02 0.00 0.00 55.97 55.88 3d39 s LYS 19 Cb 0.00 -3.17 -0.06 0.00 -0.52 0.00 0.00 37.83 34.08 3d39 s LYS 19 CO 0.00 0.71 1.21 0.45 -0.92 0.00 0.00 175.35 176.80 3d39 s SER 20 N -1.20 5.69 0.07 2.83 0.15 -1.26 -4.37 113.70 115.60 3d39 s SER 20 Ca 0.21 2.41 -0.03 0.00 0.70 0.00 0.00 55.95 59.24 3d39 s SER 20 Cb -0.14 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 3d39 s SER 20 CO 0.10 -1.26 0.16 -3.20 1.20 0.00 0.00 173.24 170.25 3d39 n ASN 21 N -0.97 -0.42 -3.87 5.45 2.85 -0.70 -5.01 115.26 112.59 3d39 n ASN 21 Ca 0.10 -1.28 -0.20 0.00 -0.11 0.00 0.00 54.58 53.09 3d39 n ASN 21 Cb 0.48 0.69 -0.16 0.00 1.24 0.00 0.00 39.78 42.03 3d39 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3d39 s PHE 22 N -7.26 0.66 -0.17 1.20 0.40 -1.26 -1.82 117.98 109.72 3d39 s PHE 22 Ca 0.03 -0.16 -0.13 0.00 -0.60 0.00 0.00 56.93 56.06 3d39 s PHE 22 Cb -0.01 -0.63 -0.05 0.00 0.51 0.00 0.00 43.02 42.85 3d39 s PHE 22 CO 0.02 -0.19 0.28 -1.17 0.70 0.00 0.00 175.22 174.86 3d39 s LEU 23 N 1.03 4.23 -0.12 -0.37 2.96 0.54 -2.42 118.68 124.51 3d39 s LEU 23 Ca -0.09 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 3d39 s LEU 23 Cb -0.14 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 3d39 s LEU 23 CO -0.01 0.09 -0.17 0.20 -1.32 0.00 0.00 176.35 175.14 3d39 s ASN 24 N 0.53 3.61 -0.19 3.68 0.01 0.91 -1.32 114.94 122.18 3d39 s ASN 24 Ca 0.15 -0.44 -0.02 0.00 -0.71 0.00 0.00 52.86 51.85 3d39 s ASN 24 Cb -0.13 -1.53 -0.00 0.00 0.41 0.00 0.00 41.25 40.00 3d39 s ASN 24 CO 0.03 0.15 -0.10 0.00 -1.51 0.00 0.00 177.10 175.67 3d39 s TYR 26 N 1.17 3.56 -0.23 0.00 5.04 -0.02 0.33 117.35 127.20 3d39 s TYR 26 Ca 0.02 -2.54 -0.13 0.00 -2.44 0.00 0.00 57.07 51.97 3d39 s TYR 26 Cb -0.14 -2.72 -0.04 0.00 0.35 0.00 0.00 41.96 39.40 3d39 s TYR 26 CO -0.04 -0.92 0.27 0.14 -1.34 0.00 0.00 175.55 173.66 3d39 s VAL 27 N 1.06 5.28 0.08 3.14 -7.23 -0.91 -1.66 120.40 120.16 3d39 s VAL 27 Ca 0.04 0.41 -0.10 0.00 -1.81 0.00 0.00 61.98 60.52 3d39 s VAL 27 Cb -0.20 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.14 3d39 s VAL 27 CO -0.05 0.29 0.23 -0.94 -0.31 0.00 0.00 175.10 174.32 3d39 s SER 28 N 1.11 0.03 0.00 4.85 1.04 -0.50 -1.34 113.70 118.89 3d39 s SER 28 Ca 0.12 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3d39 s SER 28 Cb -0.14 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3d39 s SER 28 CO 0.06 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.20 3d39 n GLY 29 N 0.15 0.61 3.71 7.32 0.00 0.13 0.48 105.19 117.59 3d39 n GLY 29 Ca -0.16 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 3d39 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d39 s PHE 30 N -2.00 2.86 -0.27 1.61 -0.71 -1.20 -4.48 117.98 113.79 3d39 s PHE 30 Ca 0.00 -0.17 -0.18 0.00 -1.04 0.00 0.00 56.93 55.54 3d39 s PHE 30 Cb 0.00 -1.30 0.08 0.00 -1.21 0.00 0.00 43.02 40.59 3d39 s PHE 30 CO 0.00 0.57 0.68 -1.58 -1.34 0.00 0.00 175.22 173.55 3d39 s HIS 31 N -2.15 -0.95 0.37 3.49 2.46 -1.08 -0.08 115.29 117.35 3d39 s HIS 31 Ca 0.31 2.01 -0.06 0.00 0.47 0.00 0.00 55.06 57.80 3d39 s HIS 31 Cb -0.07 0.50 0.08 0.00 -0.13 0.00 0.00 32.58 32.96 3d39 s HIS 31 CO 0.21 -0.47 0.50 -0.35 -2.47 0.00 0.00 174.74 172.16 3d39 n PRO 32 N 3.80 -0.39 0.16 2.88 -0.05 -1.26 -0.05 135.00 140.09 3d39 n PRO 32 Ca -0.18 -0.83 0.12 0.00 -0.05 0.00 0.00 63.50 62.56 3d39 n PRO 32 Cb 0.58 -0.49 0.20 0.00 -0.05 0.00 0.00 33.50 33.73 3d39 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3d39 h SER 33 N -0.62 0.00 -2.31 3.54 4.64 -1.98 -3.45 113.55 113.37 3d39 h SER 33 Ca -0.16 -0.02 -0.57 0.00 -0.47 0.00 0.00 61.79 60.57 3d39 h SER 33 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3d39 h SER 33 CO 0.12 0.01 1.34 -1.81 -0.87 0.00 0.00 176.83 175.62 3d39 s ASP 34 N -5.46 5.92 -0.13 4.97 -0.00 -1.26 -4.95 116.67 115.76 3d39 s ASP 34 Ca 0.07 1.97 -0.11 0.00 -0.00 0.00 0.00 52.55 54.48 3d39 s ASP 34 Cb 0.08 -2.52 0.04 0.00 -0.00 0.00 0.00 42.92 40.52 3d39 s ASP 34 CO 0.68 -1.58 0.34 -0.51 -0.00 0.00 0.00 175.17 174.10 3d39 s ILE 35 N 6.62 -0.01 -0.19 0.77 2.07 -1.26 -4.61 121.20 124.59 3d39 s ILE 35 Ca 0.90 0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 60.10 3d39 s ILE 35 Cb -0.33 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 3d39 s ILE 35 CO 0.35 0.01 0.02 -0.70 -1.91 0.00 0.00 174.94 172.72 3d39 s GLU 36 N 0.38 3.75 -0.17 3.50 2.12 0.22 -4.98 118.70 123.53 3d39 s GLU 36 Ca -0.02 -0.46 -0.02 0.00 0.36 0.00 0.00 54.97 54.84 3d39 s GLU 36 Cb -0.04 -3.13 0.05 0.00 0.26 0.00 0.00 34.13 31.27 3d39 s GLU 36 CO -0.02 0.10 0.00 0.08 -0.54 0.00 0.00 175.26 174.89 3d39 s VAL 37 N 0.79 0.71 0.09 3.70 1.01 -1.26 -0.85 120.40 124.59 3d39 s VAL 37 Ca 0.02 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.58 3d39 s VAL 37 Cb -0.14 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3d39 s VAL 37 CO 0.02 -0.03 -0.20 -1.81 0.00 0.00 0.00 175.10 173.08 3d39 s ASP 38 N 1.79 3.74 -0.12 3.32 1.01 0.12 -4.95 116.67 121.58 3d39 s ASP 38 Ca 0.00 -0.54 -0.08 0.00 0.71 0.00 0.00 52.55 52.65 3d39 s ASP 38 Cb -0.16 -0.51 -0.04 0.00 1.01 0.00 0.00 42.92 43.22 3d39 s ASP 38 CO -0.07 0.21 0.15 -0.76 0.21 0.00 0.00 175.17 174.91 3d39 s LEU 39 N -1.83 4.37 -0.06 1.23 1.43 -1.26 0.14 118.68 122.70 3d39 s LEU 39 Ca 0.16 0.46 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 3d39 s LEU 39 Cb -0.10 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3d39 s LEU 39 CO 0.07 0.38 -0.24 -0.76 0.23 0.00 0.00 176.35 176.03 3d39 s LEU 40 N -0.87 2.06 -0.30 1.79 1.43 0.10 -0.15 118.68 122.73 3d39 s LEU 40 Ca 0.15 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3d39 s LEU 40 Cb -0.12 -1.35 0.05 0.00 0.03 0.00 0.00 46.19 44.80 3d39 s LEU 40 CO 0.04 0.23 0.00 -0.75 0.23 0.00 0.00 176.35 176.10 3d39 s LYS 41 N -0.09 2.37 -1.35 1.70 2.20 0.39 -1.56 119.74 123.41 3d39 s LYS 41 Ca -0.06 -1.32 -0.06 0.00 -0.36 0.00 0.00 55.97 54.18 3d39 s LYS 41 Cb -0.14 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 3d39 s LYS 41 CO 0.04 -0.65 0.49 0.09 -0.36 0.00 0.00 175.35 174.97 3d39 n ASN 42 N 4.60 -1.46 0.00 1.43 3.02 0.74 -2.22 115.26 121.37 3d39 n ASN 42 Ca -0.12 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 3d39 n ASN 42 Cb 0.43 -3.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 3d39 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d39 n GLY 43 N -1.95 1.10 3.90 7.41 0.00 -1.26 -4.98 105.19 109.41 3d39 n GLY 43 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 3d39 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d39 s GLU 44 N -0.22 3.46 -0.04 1.61 2.02 -0.94 -5.03 118.70 119.56 3d39 s GLU 44 Ca 0.00 -0.25 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 3d39 s GLU 44 Cb 0.00 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 3d39 s GLU 44 CO 0.00 0.68 1.40 0.50 0.02 0.00 0.00 175.26 177.86 3d39 s ARG 45 N -1.79 4.26 0.05 1.61 3.52 -1.26 -0.46 118.95 124.89 3d39 s ARG 45 Ca 0.26 1.92 -0.27 0.00 -0.13 0.00 0.00 55.73 57.50 3d39 s ARG 45 Cb -0.13 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 3d39 s ARG 45 CO 0.16 -0.63 0.86 0.42 -0.81 0.00 0.00 175.30 175.30 3d39 s ILE 46 N 2.84 4.70 -0.16 4.11 1.01 0.78 -4.90 121.20 129.59 3d39 s ILE 46 Ca 0.63 1.83 -0.22 0.00 0.00 0.00 0.00 60.65 62.89 3d39 s ILE 46 Cb -0.29 -4.21 -0.23 0.00 0.01 0.00 0.00 42.46 37.73 3d39 s ILE 46 CO 0.24 0.31 0.48 -0.33 0.00 0.00 0.00 174.94 175.64 3d39 h GLU 47 N 5.90 0.07 -3.86 2.79 5.08 -1.95 -3.42 114.58 119.19 3d39 h GLU 47 Ca -0.43 -0.11 -0.70 0.00 -1.00 0.00 0.00 59.36 57.12 3d39 h GLU 47 Cb 1.21 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3d39 h GLU 47 CO 0.72 1.05 3.21 1.17 -1.00 0.00 0.00 179.01 184.16 3d39 n LYS 48 N -4.35 2.91 -5.10 2.33 4.81 -1.26 -4.88 118.16 112.61 3d39 n LYS 48 Ca -0.23 -2.48 -0.32 0.00 -0.87 0.00 0.00 58.31 54.41 3d39 n LYS 48 Cb 0.68 -3.18 -0.16 0.00 0.02 0.00 0.00 35.03 32.39 3d39 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3d39 s VAL 49 N 3.13 2.38 0.06 3.15 1.01 -1.26 -4.56 120.40 124.32 3d39 s VAL 49 Ca 0.51 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3d39 s VAL 49 Cb 0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3d39 s VAL 49 CO -0.07 0.56 0.00 -1.61 0.00 0.00 0.00 175.10 173.97 3d39 s GLU 50 N 0.08 2.62 0.27 2.72 2.02 0.29 -4.91 118.70 121.79 3d39 s GLU 50 Ca -0.09 -0.77 0.12 0.00 0.02 0.00 0.00 54.97 54.25 3d39 s GLU 50 Cb -0.15 -2.58 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 3d39 s GLU 50 CO 0.06 0.57 -0.20 -3.38 0.02 0.00 0.00 175.26 172.32 3d39 s HIS 51 N -1.24 2.28 0.92 1.61 -3.43 -1.26 -0.35 115.29 113.82 3d39 s HIS 51 Ca 0.24 -0.34 -0.12 0.00 -0.80 0.00 0.00 55.06 54.04 3d39 s HIS 51 Cb -0.12 -1.00 0.14 0.00 -1.43 0.00 0.00 32.58 30.18 3d39 s HIS 51 CO 0.16 0.70 1.11 -1.54 -2.00 0.00 0.00 174.74 173.16 3d39 s SER 52 N -3.44 3.34 0.36 7.38 1.04 -0.40 -4.96 113.70 117.02 3d39 s SER 52 Ca 0.29 1.19 -0.25 0.00 0.48 0.00 0.00 55.95 57.66 3d39 s SER 52 Cb -0.05 -1.84 -0.10 0.00 0.10 0.00 0.00 66.02 64.13 3d39 s SER 52 CO 0.14 -2.68 0.98 -1.81 0.98 0.00 0.00 173.24 170.85 3d39 s ASP 53 N -3.70 7.12 0.12 7.02 1.01 -1.26 -4.73 116.67 122.24 3d39 s ASP 53 Ca 0.64 1.89 -0.31 0.00 0.71 0.00 0.00 52.55 55.47 3d39 s ASP 53 Cb -0.17 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.10 3d39 s ASP 53 CO 0.56 -0.23 1.48 -0.22 0.21 0.00 0.00 175.17 176.96 3d39 s LEU 54 N -2.36 4.37 0.00 1.23 2.96 -1.26 -4.87 118.68 118.75 3d39 s LEU 54 Ca 0.54 2.43 0.01 0.00 -0.22 0.00 0.00 54.13 56.89 3d39 s LEU 54 Cb -0.19 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.92 3d39 s LEU 54 CO 0.24 -0.74 0.30 -0.24 -1.32 0.00 0.00 176.35 174.59 3d39 n SER 55 N 4.22 -0.83 -3.80 3.68 2.88 -1.20 -5.02 113.62 113.54 3d39 n SER 55 Ca 0.13 -2.46 -0.10 0.00 -1.33 0.00 0.00 58.87 55.11 3d39 n SER 55 Cb 0.41 1.64 -0.05 0.00 -0.75 0.00 0.00 64.21 65.45 3d39 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3d39 s PHE 56 N -3.30 0.06 0.45 0.66 -0.12 -1.26 -1.44 117.98 113.03 3d39 s PHE 56 Ca 0.24 -0.42 0.04 0.00 -0.05 0.00 0.00 56.93 56.74 3d39 s PHE 56 Cb 0.00 0.18 0.04 0.00 -0.63 0.00 0.00 43.02 42.60 3d39 s PHE 56 CO 0.17 -0.78 0.30 0.43 -0.05 0.00 0.00 175.22 175.29 3d39 n SER 57 N -0.25 2.54 0.24 1.98 7.64 -0.35 -4.92 113.62 120.49 3d39 n SER 57 Ca -0.11 -2.60 0.18 0.00 1.01 0.00 0.00 58.87 57.35 3d39 n SER 57 Cb 0.63 0.01 0.85 0.00 -1.01 0.00 0.00 64.21 64.68 3d39 n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3d39 h LYS 58 N 0.00 0.00 -0.65 1.43 3.11 -2.03 0.42 116.57 118.85 3d39 h LYS 58 Ca -0.30 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.54 3d39 h LYS 58 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 3d39 h LYS 58 CO 0.47 0.00 0.00 -0.40 -2.81 0.00 0.00 179.45 176.71 3d39 n ASP 59 N -3.39 4.74 0.00 4.20 5.75 -1.26 -4.94 116.55 121.64 3d39 n ASP 59 Ca 0.01 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 3d39 n ASP 59 Cb 0.39 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3d39 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3d39 n TRP 60 N 1.13 0.00 -2.61 2.11 7.02 0.14 -5.03 117.44 120.20 3d39 n TRP 60 Ca 0.26 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.39 3d39 n TRP 60 Cb 0.88 -0.40 -0.05 0.00 -2.42 0.00 0.00 31.31 29.32 3d39 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3d39 s SER 61 N -2.48 6.70 0.45 -0.99 1.04 -1.25 -4.59 113.70 112.58 3d39 s SER 61 Ca 0.00 1.93 -0.04 0.00 0.48 0.00 0.00 55.95 58.32 3d39 s SER 61 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 3d39 s SER 61 CO 0.00 -0.53 0.73 -0.36 0.98 0.00 0.00 173.24 174.06 3d39 s PHE 62 N -1.84 3.54 0.02 5.02 0.08 0.89 -1.21 117.98 124.48 3d39 s PHE 62 Ca 0.61 0.69 -0.10 0.00 0.12 0.00 0.00 56.93 58.25 3d39 s PHE 62 Cb -0.18 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.07 3d39 s PHE 62 CO 0.22 -0.20 0.21 1.52 -0.10 0.00 0.00 175.22 176.88 3d39 s TYR 63 N -2.65 0.00 -0.23 0.36 -0.85 -0.52 -0.69 117.35 112.77 3d39 s TYR 63 Ca 0.46 -0.14 -0.20 0.00 -0.52 0.00 0.00 57.07 56.67 3d39 s TYR 63 Cb -0.10 -0.00 0.06 0.00 0.38 0.00 0.00 41.96 42.30 3d39 s TYR 63 CO 0.43 -0.40 0.61 -1.17 -1.52 0.00 0.00 175.55 173.50 3d39 s LEU 64 N -1.82 -0.44 -0.20 -3.49 2.96 -0.45 -3.24 118.68 112.00 3d39 s LEU 64 Ca -0.08 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3d39 s LEU 64 Cb -0.03 2.10 0.03 0.00 0.50 0.00 0.00 46.19 48.79 3d39 s LEU 64 CO -0.01 -0.22 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.42 3d39 s LEU 65 N 0.63 2.53 -0.12 -0.68 2.96 -1.26 -2.15 118.68 120.59 3d39 s LEU 65 Ca -0.02 -0.79 -0.05 0.00 -0.22 0.00 0.00 54.13 53.04 3d39 s LEU 65 Cb -0.05 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 3d39 s LEU 65 CO -0.04 -0.05 0.08 -0.31 -1.32 0.00 0.00 176.35 174.71 3d39 s TYR 66 N 1.27 3.38 -0.05 5.38 1.51 0.15 -1.27 117.35 127.72 3d39 s TYR 66 Ca 0.02 0.33 -0.13 0.00 -1.01 0.00 0.00 57.07 56.29 3d39 s TYR 66 Cb -0.15 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 3d39 s TYR 66 CO -0.10 0.54 0.30 1.52 -1.11 0.00 0.00 175.55 176.70 3d39 s TYR 67 N -0.73 -0.23 0.00 2.71 -0.85 0.53 0.39 117.35 119.18 3d39 s TYR 67 Ca 0.12 0.46 -0.04 0.00 -0.52 0.00 0.00 57.07 57.09 3d39 s TYR 67 Cb -0.12 0.09 -0.00 0.00 0.38 0.00 0.00 41.96 42.31 3d39 s TYR 67 CO 0.03 -0.30 0.07 -0.08 -1.52 0.00 0.00 175.55 173.75 3d39 s THR 68 N -0.75 0.08 -0.03 -3.49 -1.32 -0.43 -0.55 115.64 109.14 3d39 s THR 68 Ca -0.08 -0.62 -0.22 0.00 -1.21 0.00 0.00 61.69 59.56 3d39 s THR 68 Cb -0.04 -0.31 -0.05 0.00 -1.51 0.00 0.00 72.50 70.59 3d39 s THR 68 CO 0.03 -0.34 0.63 -0.70 -2.21 0.00 0.00 174.62 172.03 3d39 s GLU 69 N -1.11 4.37 0.29 7.08 2.12 -1.26 -0.34 118.70 129.85 3d39 s GLU 69 Ca -0.12 0.78 -0.05 0.00 0.36 0.00 0.00 54.97 55.94 3d39 s GLU 69 Cb -0.07 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 3d39 s GLU 69 CO 0.00 0.25 0.40 -0.59 -0.54 0.00 0.00 175.26 174.78 3d39 s PHE 70 N 0.19 0.89 -0.27 5.30 -0.71 -0.76 -4.93 117.98 117.70 3d39 s PHE 70 Ca 0.33 -1.15 -0.02 0.00 -1.04 0.00 0.00 56.93 55.05 3d39 s PHE 70 Cb -0.18 -0.12 0.09 0.00 -1.21 0.00 0.00 43.02 41.60 3d39 s PHE 70 CO 0.17 -0.98 0.08 0.99 -1.34 0.00 0.00 175.22 174.14 3d39 s THR 71 N -3.58 0.60 0.41 -4.49 2.01 -1.26 -1.72 115.64 107.60 3d39 s THR 71 Ca 0.30 -1.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.03 3d39 s THR 71 Cb 0.01 -1.35 -0.08 0.00 0.01 0.00 0.00 72.50 71.09 3d39 s THR 71 CO 0.15 -0.54 1.18 -2.16 -0.69 0.00 0.00 174.62 172.57 3d39 s PRO 72 N 1.78 4.01 0.21 4.92 0.04 -1.26 -4.83 135.00 139.86 3d39 s PRO 72 Ca 0.06 1.87 0.01 0.00 0.04 0.00 0.00 61.00 62.98 3d39 s PRO 72 Cb -0.17 -2.65 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 3d39 s PRO 72 CO -0.22 -0.37 0.04 0.25 0.04 0.00 0.00 177.00 176.74 3d39 n THR 73 N 0.01 0.00 -0.02 1.26 -2.24 -1.26 -1.97 114.28 110.06 3d39 n THR 73 Ca 0.05 -1.10 -0.09 0.00 -2.27 0.00 0.00 64.05 60.64 3d39 n THR 73 Cb 0.46 0.32 0.08 0.00 -2.10 0.00 0.00 70.33 69.09 3d39 n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3d39 h GLU 74 N 0.00 0.62 0.00 -0.78 5.08 -1.99 -3.39 114.58 114.12 3d39 h GLU 74 Ca -0.17 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 3d39 h GLU 74 Cb 0.57 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3d39 h GLU 74 CO 0.27 0.93 -1.69 0.36 -1.00 0.00 0.00 179.01 177.89 3d39 n LYS 75 N -4.02 1.76 -1.67 2.33 -0.00 -1.26 -4.99 118.16 110.32 3d39 n LYS 75 Ca -0.02 -0.03 -0.44 0.00 -0.00 0.00 0.00 58.31 57.82 3d39 n LYS 75 Cb 0.54 -1.28 -0.03 0.00 -0.00 0.00 0.00 35.03 34.26 3d39 n LYS 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3d39 n ASP 76 N -2.27 4.00 -4.70 -5.58 8.00 -1.26 -4.97 116.55 109.76 3d39 n ASP 76 Ca -0.14 0.92 -0.37 0.00 0.71 0.00 0.00 54.79 55.92 3d39 n ASP 76 Cb 0.71 -1.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.24 3d39 n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3d39 s GLU 77 N 4.29 4.18 0.07 -1.24 2.02 -1.26 -4.74 118.70 122.02 3d39 s GLU 77 Ca 0.90 -0.02 0.07 0.00 0.02 0.00 0.00 54.97 55.94 3d39 s GLU 77 Cb -0.50 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 3d39 s GLU 77 CO 0.44 0.14 -0.15 0.71 0.02 0.00 0.00 175.26 176.42 3d39 s TYR 78 N 0.80 2.64 0.12 1.61 2.02 -1.26 -0.19 117.35 123.09 3d39 s TYR 78 Ca 0.14 -0.20 -0.16 0.00 -0.37 0.00 0.00 57.07 56.48 3d39 s TYR 78 Cb -0.13 -1.45 0.03 0.00 -0.40 0.00 0.00 41.96 40.01 3d39 s TYR 78 CO 0.04 0.34 0.39 0.00 -1.57 0.00 0.00 175.55 174.75 3d39 s ALA 79 N -1.05 -0.88 -0.06 3.71 0.00 -0.60 -0.42 121.76 122.45 3d39 s ALA 79 Ca 0.17 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3d39 s ALA 79 Cb -0.11 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 3d39 s ALA 79 CO 0.09 -0.64 -0.24 0.00 0.00 0.00 0.00 175.76 174.96 3d39 s ARG 81 N -0.08 3.00 -0.11 0.00 3.52 0.38 -1.47 118.95 124.18 3d39 s ARG 81 Ca -0.06 -0.83 0.03 0.00 -0.13 0.00 0.00 55.73 54.75 3d39 s ARG 81 Cb -0.14 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 3d39 s ARG 81 CO 0.04 -0.22 -0.22 0.08 -0.81 0.00 0.00 175.30 174.18 3d39 s VAL 82 N 1.30 1.91 -0.02 7.11 1.01 -0.19 0.14 120.40 131.66 3d39 s VAL 82 Ca 0.05 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3d39 s VAL 82 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3d39 s VAL 82 CO -0.12 0.52 -0.24 0.21 0.00 0.00 0.00 175.10 175.47 3d39 s ASN 83 N 0.53 2.87 0.05 3.32 2.47 -0.03 -1.07 114.94 123.09 3d39 s ASN 83 Ca -0.15 -0.45 -0.27 0.00 0.42 0.00 0.00 52.86 52.42 3d39 s ASN 83 Cb -0.17 -0.35 0.09 0.00 -1.45 0.00 0.00 41.25 39.37 3d39 s ASN 83 CO 0.05 0.30 0.76 -2.28 -3.72 0.00 0.00 177.10 172.21 3d39 s HIS 84 N -0.55 -0.45 0.30 0.43 5.65 -1.26 -0.61 115.29 118.81 3d39 s HIS 84 Ca 0.09 0.34 0.36 0.00 0.25 0.00 0.00 55.06 56.10 3d39 s HIS 84 Cb -0.10 0.53 1.68 0.00 -1.18 0.00 0.00 32.58 33.51 3d39 s HIS 84 CO -0.01 -0.67 2.10 -0.24 -0.65 0.00 0.00 174.74 175.28 3d39 h VAL 85 N 2.09 0.08 0.00 0.89 3.04 -1.96 -2.47 116.25 117.93 3d39 h VAL 85 Ca -0.27 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3d39 h VAL 85 Cb 1.26 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 3d39 h VAL 85 CO 0.34 0.02 0.00 0.71 -1.01 0.00 0.00 177.57 177.64 3d39 h THR 86 N 0.00 0.00 -3.72 3.17 1.35 -1.93 -3.44 112.91 108.34 3d39 h THR 86 Ca -0.00 -0.54 -0.65 0.00 -0.55 0.00 0.00 66.41 64.67 3d39 h THR 86 Cb 0.35 1.53 -0.17 0.00 -1.73 0.00 0.00 68.15 68.14 3d39 h THR 86 CO 0.00 0.00 -0.32 -0.76 -0.25 0.00 0.00 175.52 174.19 3d39 s LEU 87 N -4.77 4.28 0.61 3.87 1.43 -0.93 -4.98 118.68 118.19 3d39 s LEU 87 Ca 0.10 -0.08 0.32 0.00 -1.03 0.00 0.00 54.13 53.43 3d39 s LEU 87 Cb 0.11 -2.31 1.82 0.00 0.03 0.00 0.00 46.19 45.84 3d39 s LEU 87 CO 0.60 -0.25 2.15 0.77 0.23 0.00 0.00 176.35 179.85 3d39 h SER 88 N 8.38 0.00 -5.08 2.29 4.64 -1.86 -3.43 113.55 118.50 3d39 h SER 88 Ca -0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 3d39 h SER 88 Cb 1.16 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 3d39 h SER 88 CO 0.66 0.00 -0.10 -1.10 -0.87 0.00 0.00 176.83 175.41 3d39 s GLN 89 N -4.47 1.03 0.65 4.77 -0.21 -1.26 -5.15 119.66 115.01 3d39 s GLN 89 Ca -0.05 -0.68 -0.17 0.00 0.02 0.00 0.00 55.36 54.49 3d39 s GLN 89 Cb 0.14 0.45 -0.00 0.00 1.00 0.00 0.00 33.01 34.59 3d39 s GLN 89 CO 0.49 -0.39 1.18 -2.14 -2.12 0.00 0.00 175.29 172.31 3d39 s PRO 90 N -3.60 2.68 -0.19 2.91 0.02 -1.26 -4.96 135.00 130.60 3d39 s PRO 90 Ca 0.02 1.69 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 3d39 s PRO 90 Cb 0.02 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.60 3d39 s PRO 90 CO -0.10 -1.40 0.01 0.21 -0.33 0.00 0.00 177.00 175.38 3d39 s LYS 91 N -3.69 3.71 -0.20 5.54 2.20 -0.23 -4.94 119.74 122.12 3d39 s LYS 91 Ca 0.74 -0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 55.79 3d39 s LYS 91 Cb -0.27 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3d39 s LYS 91 CO 0.39 0.13 0.07 0.42 -0.36 0.00 0.00 175.35 175.99 3d39 s ILE 92 N 0.71 4.63 -0.21 5.43 -1.09 -1.26 -1.03 121.20 128.38 3d39 s ILE 92 Ca 0.00 -0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3d39 s ILE 92 Cb -0.14 -3.11 0.02 0.00 -1.58 0.00 0.00 42.46 37.65 3d39 s ILE 92 CO 0.02 0.42 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.32 3d39 s VAL 93 N 0.80 2.44 0.28 2.92 1.01 -0.54 -4.96 120.40 122.34 3d39 s VAL 93 Ca 0.03 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 3d39 s VAL 93 Cb -0.14 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 3d39 s VAL 93 CO 0.02 0.38 0.96 -0.54 0.00 0.00 0.00 175.10 175.92 3d39 s LYS 94 N 1.30 4.72 -0.47 2.72 1.02 -1.26 -1.35 119.74 126.41 3d39 s LYS 94 Ca 0.02 1.45 -0.27 0.00 0.02 0.00 0.00 55.97 57.20 3d39 s LYS 94 Cb -0.15 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 3d39 s LYS 94 CO -0.09 0.39 1.92 -0.46 -0.92 0.00 0.00 175.35 176.19 3d39 s TRP 95 N -1.36 1.63 -0.09 3.18 -0.00 0.44 -4.90 118.94 117.84 3d39 s TRP 95 Ca 0.45 0.82 -0.30 0.00 -0.00 0.00 0.00 56.10 57.08 3d39 s TRP 95 Cb -0.24 -4.03 -0.02 0.00 -0.00 0.00 0.00 33.47 29.18 3d39 s TRP 95 CO 0.29 -2.64 1.14 0.34 -0.00 0.00 0.00 176.95 176.09 3d39 s ASP 96 N 7.88 7.10 0.37 5.86 2.15 -1.26 -4.79 116.67 133.98 3d39 s ASP 96 Ca 0.77 1.70 0.20 0.00 0.43 0.00 0.00 52.55 55.65 3d39 s ASP 96 Cb -0.18 -2.56 0.42 0.00 -0.30 0.00 0.00 42.92 40.31 3d39 s ASP 96 CO 0.27 -0.56 1.61 0.03 -0.17 0.00 0.00 175.17 176.35 3d39 h ARG 97 N 7.41 0.00 -1.46 4.34 3.08 -1.95 -3.12 114.38 122.68 3d39 h ARG 97 Ca -0.32 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.02 3d39 h ARG 97 Cb 1.15 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.90 3d39 h ARG 97 CO 0.88 0.30 0.82 -0.40 -1.07 0.00 0.00 179.97 180.50 3d39 n ASP 98 N -3.25 7.38 0.00 7.04 5.68 -1.26 -4.88 116.55 127.27 3d39 n ASP 98 Ca 0.02 -3.81 0.00 0.00 -0.50 0.00 0.00 54.79 50.50 3d39 n ASP 98 Cb 0.59 -0.97 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 3d39 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10