#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsm h VAL 2 N 0.00 0.00 -0.59 1.12 -1.51 -2.06 -0.52 116.25 112.68 2dsm h VAL 2 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2dsm h VAL 2 Cb 0.00 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2dsm h VAL 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.72 2dsm n GLU 3 N -3.02 3.70 -3.78 5.19 1.02 -1.26 -4.69 120.64 117.80 2dsm n GLU 3 Ca -0.01 -2.85 -0.30 0.00 -0.02 0.00 0.00 57.16 53.97 2dsm n GLU 3 Cb 0.17 -1.87 -0.15 0.00 -0.02 0.00 0.00 31.44 29.56 2dsm n GLU 3 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2dsm s ASN 4 N -1.00 4.12 -1.09 1.62 3.84 -0.21 -5.06 114.94 117.16 2dsm s ASN 4 Ca 0.49 -1.84 -0.23 0.00 0.21 0.00 0.00 52.86 51.49 2dsm s ASN 4 Cb 0.32 -1.02 -0.07 0.00 -0.55 0.00 0.00 41.25 39.94 2dsm s ASN 4 CO 0.22 -0.39 1.93 -2.84 -2.79 0.00 0.00 177.10 173.23 2dsm s PRO 5 N 1.35 2.53 -0.09 0.43 0.02 -1.26 -4.45 135.00 133.54 2dsm s PRO 5 Ca 0.11 -0.87 0.07 0.00 0.02 0.00 0.00 61.00 60.33 2dsm s PRO 5 Cb -0.18 -5.18 -0.24 0.00 0.02 0.00 0.00 34.50 28.91 2dsm s PRO 5 CO -0.19 -3.75 0.49 0.00 -0.33 0.00 0.00 177.00 173.22 2dsm n MET 6 N 8.49 0.68 -3.28 5.54 0.00 -1.26 -4.46 117.12 122.82 2dsm n MET 6 Ca 0.43 0.26 -0.45 0.00 0.00 0.00 0.00 57.70 57.94 2dsm n MET 6 Cb 0.47 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 31.95 2dsm n MET 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2dsm n VAL 7 N -3.16 4.54 -5.08 3.17 0.31 -1.26 -5.01 118.33 111.84 2dsm n VAL 7 Ca -0.24 -5.30 -0.32 0.00 -0.01 0.00 0.00 64.34 58.47 2dsm n VAL 7 Cb 1.06 -2.57 -0.15 0.00 -0.91 0.00 0.00 33.84 31.27 2dsm n VAL 7 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2dsm s ILE 8 N -0.90 2.56 -0.45 2.52 1.10 -1.26 -5.09 121.20 119.68 2dsm s ILE 8 Ca 0.33 -0.90 -0.21 0.00 -0.51 0.00 0.00 60.65 59.35 2dsm s ILE 8 Cb -0.09 -1.97 0.03 0.00 0.15 0.00 0.00 42.46 40.58 2dsm s ILE 8 CO -0.07 0.58 0.68 0.20 -2.11 0.00 0.00 174.94 174.22 2dsm s ASN 9 N -0.47 6.34 0.24 4.50 -0.87 -1.26 -5.03 114.94 118.39 2dsm s ASN 9 Ca 0.05 -0.32 -0.31 0.00 -1.57 0.00 0.00 52.86 50.72 2dsm s ASN 9 Cb -0.12 -2.33 -0.11 0.00 -0.02 0.00 0.00 41.25 38.67 2dsm s ASN 9 CO 0.01 -0.82 1.60 0.20 -2.57 0.00 0.00 177.10 175.52 2dsm s ASN 10 N 2.07 6.46 -0.18 -1.22 0.01 -1.26 -4.86 114.94 115.95 2dsm s ASN 10 Ca 0.24 2.81 -0.04 0.00 -0.71 0.00 0.00 52.86 55.17 2dsm s ASN 10 Cb -0.14 -2.61 -0.06 0.00 0.41 0.00 0.00 41.25 38.85 2dsm s ASN 10 CO 0.19 -0.88 2.90 0.79 -1.51 0.00 0.00 177.10 178.60 2dsm n TRP 11 N 3.06 0.70 -3.39 2.20 8.01 -1.26 -4.35 117.44 122.41 2dsm n TRP 11 Ca 0.11 -1.63 -0.21 0.00 -1.31 0.00 0.00 57.50 54.46 2dsm n TRP 11 Cb 0.37 -1.28 -0.09 0.00 -2.01 0.00 0.00 31.31 28.30 2dsm n TRP 11 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 2dsm s HIS 12 N -0.37 0.07 0.30 -5.99 3.76 -1.26 -5.04 115.29 106.76 2dsm s HIS 12 Ca 0.50 -1.14 -0.02 0.00 -0.15 0.00 0.00 55.06 54.25 2dsm s HIS 12 Cb 0.28 -0.58 0.44 0.00 1.11 0.00 0.00 32.58 33.83 2dsm s HIS 12 CO -0.07 -0.92 1.93 -0.44 -0.85 0.00 0.00 174.74 174.39 2dsm h ASP 13 N 6.99 0.90 -4.29 1.40 5.19 -2.01 -3.43 116.42 121.17 2dsm h ASP 13 Ca 0.06 -0.06 -0.20 0.00 -0.62 0.00 0.00 57.03 56.22 2dsm h ASP 13 Cb 1.02 -0.23 -0.25 0.00 0.18 0.00 0.00 39.33 40.06 2dsm h ASP 13 CO 0.22 0.70 -0.67 -1.59 -3.12 0.00 0.00 179.24 174.79 2dsm s LYS 14 N -5.73 0.18 -0.40 3.56 0.00 -1.26 -5.08 119.74 111.01 2dsm s LYS 14 Ca -0.11 -0.22 0.06 0.00 0.00 0.00 0.00 55.97 55.69 2dsm s LYS 14 Cb 0.17 0.07 0.21 0.00 0.00 0.00 0.00 37.83 38.28 2dsm s LYS 14 CO 0.79 -0.03 0.42 -0.11 0.00 0.00 0.00 175.35 176.43 2dsm n LEU 15 N 2.39 -0.23 -4.73 2.77 0.00 -1.26 -5.12 117.00 110.82 2dsm n LEU 15 Ca -0.17 -4.50 -0.40 0.00 0.00 0.00 0.00 56.01 50.94 2dsm n LEU 15 Cb 0.58 0.59 -0.05 0.00 0.00 0.00 0.00 43.42 44.54 2dsm n LEU 15 CO 0.23 1.95 0.46 0.42 0.00 0.00 0.00 177.39 180.45 2dsm s THR 16 N -0.47 4.84 0.21 1.96 -4.23 -1.26 -4.84 115.64 111.84 2dsm s THR 16 Ca 0.34 1.60 0.00 0.00 -1.18 0.00 0.00 61.69 62.45 2dsm s THR 16 Cb 0.10 -4.11 0.00 0.00 1.34 0.00 0.00 72.50 69.83 2dsm s THR 16 CO -0.16 0.32 0.00 1.21 -0.54 0.00 0.00 174.62 175.45 2dsm n GLU 17 N 3.17 -1.63 0.00 3.99 4.07 -1.26 -4.86 120.64 124.13 2dsm n GLU 17 Ca -0.01 1.24 0.10 0.00 -0.06 0.00 0.00 57.16 58.42 2dsm n GLU 17 Cb 0.51 -1.46 0.02 0.00 -0.06 0.00 0.00 31.44 30.44 2dsm n GLU 17 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2dsm n THR 18 N -1.43 0.00 0.94 6.31 -1.04 -1.26 -4.39 114.28 113.41 2dsm n THR 18 Ca 0.00 -0.35 -0.00 0.00 -2.04 0.00 0.00 64.05 61.66 2dsm n THR 18 Cb 0.09 1.27 0.01 0.00 -1.82 0.00 0.00 70.33 69.88 2dsm n THR 18 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2dsm n ASP 19 N 0.21 2.14 -4.56 8.00 9.92 -1.26 -4.70 116.55 126.31 2dsm n ASP 19 Ca 0.09 -2.04 -0.42 0.00 -0.53 0.00 0.00 54.79 51.88 2dsm n ASP 19 Cb 0.43 -0.51 -0.01 0.00 -0.64 0.00 0.00 41.12 40.39 2dsm n ASP 19 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dsm s VAL 20 N -0.54 4.17 0.42 2.53 1.01 -1.26 -4.84 120.40 121.88 2dsm s VAL 20 Ca 0.02 -1.60 0.03 0.00 0.00 0.00 0.00 61.98 60.43 2dsm s VAL 20 Cb 0.01 -5.11 0.00 0.00 0.00 0.00 0.00 36.38 31.29 2dsm s VAL 20 CO 0.00 -1.94 0.61 0.00 0.00 0.00 0.00 175.10 173.77 2dsm s GLN 21 N 4.16 2.97 0.19 2.72 -2.07 -1.24 -4.96 119.66 121.43 2dsm s GLN 21 Ca 0.49 -0.80 0.09 0.00 -1.82 0.00 0.00 55.36 53.32 2dsm s GLN 21 Cb 0.02 -2.66 -0.04 0.00 -1.09 0.00 0.00 33.01 29.23 2dsm s GLN 21 CO 0.01 -0.22 -0.17 0.42 -1.32 0.00 0.00 175.29 174.00 2dsm s ILE 22 N -2.43 1.85 0.00 3.63 1.01 -1.26 -0.10 121.20 123.90 2dsm s ILE 22 Ca 0.49 -2.08 0.00 0.00 0.00 0.00 0.00 60.65 59.06 2dsm s ILE 22 Cb -0.10 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.40 2dsm s ILE 22 CO 0.35 -0.43 0.00 -0.90 0.00 0.00 0.00 174.94 173.96 2dsm n ASP 23 N -0.06 0.00 0.18 3.58 5.75 -1.12 -4.62 116.55 120.26 2dsm n ASP 23 Ca -0.10 -0.99 0.05 0.00 -0.01 0.00 0.00 54.79 53.74 2dsm n ASP 23 Cb 0.59 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.97 2dsm n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2dsm h PHE 24 N -0.56 0.00 -0.18 2.11 3.57 -0.71 -3.20 116.94 117.97 2dsm h PHE 24 Ca 0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 2dsm h PHE 24 Cb 0.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.75 2dsm h PHE 24 CO 0.00 0.41 -0.66 -0.92 -2.23 0.00 0.00 178.31 174.91 2dsm h TYR 25 N 0.00 1.01 0.00 0.41 5.03 -1.94 -3.48 116.97 118.00 2dsm h TYR 25 Ca -0.00 -0.42 0.00 0.00 2.58 0.00 0.00 58.73 60.88 2dsm h TYR 25 Cb 0.96 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.07 2dsm h TYR 25 CO 0.00 1.24 0.00 0.41 -1.32 0.00 0.00 178.16 178.49 2dsm n GLY 26 N 0.62 1.87 3.60 1.82 0.00 -1.21 -5.12 105.19 106.76 2dsm n GLY 26 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2dsm n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dsm s ASP 27 N -2.00 5.43 0.01 1.61 2.15 -1.26 -4.93 116.67 117.68 2dsm s ASP 27 Ca 0.00 0.03 -0.31 0.00 0.43 0.00 0.00 52.55 52.70 2dsm s ASP 27 Cb 0.00 -1.92 -0.10 0.00 -0.30 0.00 0.00 42.92 40.60 2dsm s ASP 27 CO 0.00 0.17 1.96 -0.62 -0.17 0.00 0.00 175.17 176.51 2dsm n GLU 28 N 3.54 2.75 -3.33 4.34 4.71 -1.26 -2.78 120.64 128.60 2dsm n GLU 28 Ca -0.17 1.01 -0.41 0.00 -0.01 0.00 0.00 57.16 57.57 2dsm n GLU 28 Cb 0.52 -2.94 -0.09 0.00 -1.01 0.00 0.00 31.44 27.92 2dsm n GLU 28 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2dsm s VAL 29 N 4.41 5.10 0.36 2.62 1.01 0.85 -4.95 120.40 129.79 2dsm s VAL 29 Ca 0.90 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.99 2dsm s VAL 29 Cb -0.48 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 2dsm s VAL 29 CO 0.44 -0.22 0.39 0.42 0.00 0.00 0.00 175.10 176.13 2dsm s THR 30 N 2.18 3.47 -1.27 3.92 -4.23 -1.26 -3.61 115.64 114.84 2dsm s THR 30 Ca 0.14 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2dsm s THR 30 Cb -0.16 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2dsm s THR 30 CO 0.13 -0.12 0.76 -2.65 -0.54 0.00 0.00 174.62 172.20 2dsm n PRO 31 N -1.54 0.00 0.00 3.99 -0.02 -1.26 -0.42 135.00 135.74 2dsm n PRO 31 Ca 0.01 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2dsm n PRO 31 Cb 0.59 -1.53 0.16 0.00 -0.02 0.00 0.00 33.50 32.71 2dsm n PRO 31 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dsm n VAL 32 N -1.26 0.00 -3.97 -1.45 0.31 -1.26 -4.94 118.33 105.76 2dsm n VAL 32 Ca 0.00 -0.23 -0.23 0.00 -0.01 0.00 0.00 64.34 63.88 2dsm n VAL 32 Cb 0.03 0.93 -0.05 0.00 -0.91 0.00 0.00 33.84 33.83 2dsm n VAL 32 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2dsm s ASP 33 N -2.44 4.83 -0.27 4.52 1.01 0.43 -5.11 116.67 119.64 2dsm s ASP 33 Ca 0.22 -0.75 -0.08 0.00 0.71 0.00 0.00 52.55 52.65 2dsm s ASP 33 Cb 0.19 -0.73 -0.03 0.00 1.01 0.00 0.00 42.92 43.36 2dsm s ASP 33 CO 0.53 -0.38 0.11 -1.81 0.21 0.00 0.00 175.17 173.82 2dsm s ASP 34 N -3.92 5.35 0.04 0.27 1.01 -1.26 -4.85 116.67 113.31 2dsm s ASP 34 Ca 0.40 -0.25 0.02 0.00 0.71 0.00 0.00 52.55 53.43 2dsm s ASP 34 Cb -0.03 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.91 2dsm s ASP 34 CO 0.24 -0.07 -0.08 -0.72 0.21 0.00 0.00 175.17 174.75 2dsm s TYR 35 N 1.63 0.67 -0.06 4.23 1.13 -1.26 -2.12 117.35 121.57 2dsm s TYR 35 Ca 0.06 -0.49 0.04 0.00 -1.41 0.00 0.00 57.07 55.27 2dsm s TYR 35 Cb -0.16 -0.40 -0.00 0.00 -1.10 0.00 0.00 41.96 40.30 2dsm s TYR 35 CO 0.05 -0.08 -0.19 0.08 -2.51 0.00 0.00 175.55 172.91 2dsm s VAL 36 N -1.35 1.57 -0.26 -3.49 1.01 -0.34 -4.95 120.40 112.59 2dsm s VAL 36 Ca -0.10 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2dsm s VAL 36 Cb -0.10 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2dsm s VAL 36 CO 0.00 0.45 0.29 -0.63 0.00 0.00 0.00 175.10 175.21 2dsm s ILE 37 N 0.15 5.25 -1.04 2.22 1.01 -1.26 -1.91 121.20 125.61 2dsm s ILE 37 Ca -0.08 0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.84 2dsm s ILE 37 Cb -0.13 -3.62 0.20 0.00 0.01 0.00 0.00 42.46 38.92 2dsm s ILE 37 CO 0.04 0.23 1.14 -0.62 0.00 0.00 0.00 174.94 175.72 2dsm s ASP 38 N 1.52 6.99 0.00 3.58 2.15 0.07 -4.70 116.67 126.28 2dsm s ASP 38 Ca 0.12 -2.91 0.00 0.00 0.43 0.00 0.00 52.55 50.19 2dsm s ASP 38 Cb -0.15 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2dsm s ASP 38 CO 0.09 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 2dsm n GLY 39 N 3.96 1.26 0.00 2.66 0.00 -1.26 -2.85 105.19 108.96 2dsm n GLY 39 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2dsm n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dsm n GLY 40 N 0.00 0.00 3.71 -0.02 0.00 -1.26 -4.53 105.19 103.08 2dsm n GLY 40 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2dsm n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dsm s GLU 41 N -0.53 4.52 -0.05 1.61 8.01 -1.13 -5.04 118.70 126.09 2dsm s GLU 41 Ca 0.00 1.33 -0.19 0.00 0.01 0.00 0.00 54.97 56.12 2dsm s GLU 41 Cb 0.00 -3.47 -0.05 0.00 -4.31 0.00 0.00 34.13 26.30 2dsm s GLU 41 CO 0.00 -0.08 0.52 0.42 0.01 0.00 0.00 175.26 176.14 2dsm s ILE 42 N 1.15 5.03 -0.03 -1.63 1.01 -1.26 -0.76 121.20 124.72 2dsm s ILE 42 Ca 0.49 1.08 0.01 0.00 0.00 0.00 0.00 60.65 62.23 2dsm s ILE 42 Cb -0.20 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.43 2dsm s ILE 42 CO 0.25 0.41 -0.02 -0.63 0.00 0.00 0.00 174.94 174.94 2dsm s ILE 43 N -0.01 0.31 0.69 2.92 1.09 -0.80 0.08 121.20 125.48 2dsm s ILE 43 Ca 0.28 -0.03 -0.17 0.00 -1.10 0.00 0.00 60.65 59.63 2dsm s ILE 43 Cb -0.17 -0.35 0.00 0.00 -1.06 0.00 0.00 42.46 40.88 2dsm s ILE 43 CO 0.14 0.15 1.17 0.18 -0.10 0.00 0.00 174.94 176.49 2dsm n LEU 44 N 3.84 5.00 0.09 2.97 4.77 -1.26 -1.20 117.00 131.20 2dsm n LEU 44 Ca -0.23 0.75 0.07 0.00 -0.03 0.00 0.00 56.01 56.57 2dsm n LEU 44 Cb 0.52 -1.50 0.36 0.00 -2.33 0.00 0.00 43.42 40.47 2dsm n LEU 44 CO 0.24 -1.43 0.72 0.54 -1.33 0.00 0.00 177.39 176.12 2dsm n ARG 45 N -2.03 0.09 0.00 3.23 5.12 -0.90 -0.94 116.66 121.22 2dsm n ARG 45 Ca 0.15 0.53 -0.09 0.00 -1.93 0.00 0.00 57.85 56.50 2dsm n ARG 45 Cb 0.49 -1.76 0.06 0.00 -1.16 0.00 0.00 32.46 30.09 2dsm n ARG 45 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2dsm h GLU 46 N 0.00 0.56 0.00 5.56 4.39 -1.89 -3.30 114.58 119.90 2dsm h GLU 46 Ca 0.00 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2dsm h GLU 46 Cb 0.07 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2dsm h GLU 46 CO 0.00 0.95 0.00 0.09 -1.16 0.00 0.00 179.01 178.89 2dsm n ASN 47 N -3.97 1.32 -0.02 1.42 4.13 -0.92 -4.80 115.26 112.42 2dsm n ASN 47 Ca -0.03 -1.45 -0.10 0.00 1.68 0.00 0.00 54.58 54.68 2dsm n ASN 47 Cb 0.59 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.79 2dsm n ASN 47 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2dsm h LEU 48 N 0.00 0.16 -1.29 3.41 5.85 -1.12 -2.62 115.31 119.70 2dsm h LEU 48 Ca 0.00 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2dsm h LEU 48 Cb 0.33 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2dsm h LEU 48 CO 0.00 0.12 0.50 -0.33 -0.34 0.00 0.00 178.44 178.38 2dsm h GLU 49 N 0.19 0.90 -0.14 1.25 5.08 -1.86 0.18 114.58 120.19 2dsm h GLU 49 Ca 0.06 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2dsm h GLU 49 Cb -0.02 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.04 2dsm h GLU 49 CO -0.02 0.60 -0.80 -0.09 -1.00 0.00 0.00 179.01 177.70 2dsm h ARG 50 N 0.93 0.78 -0.16 2.33 9.65 -1.90 -0.22 114.38 125.80 2dsm h ARG 50 Ca 0.30 -0.65 -0.01 0.00 -1.10 0.00 0.00 59.98 58.51 2dsm h ARG 50 Cb 0.03 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2dsm h ARG 50 CO -0.08 1.26 0.05 -0.92 2.80 0.00 0.00 179.97 183.07 2dsm h TYR 51 N 0.53 0.26 -0.77 2.20 3.20 -0.88 -2.35 116.97 119.16 2dsm h TYR 51 Ca -0.06 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 2dsm h TYR 51 Cb 1.43 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.59 2dsm h TYR 51 CO 0.09 0.37 0.40 -0.07 -1.64 0.00 0.00 178.16 177.30 2dsm h LEU 52 N 0.08 0.99 -1.00 2.82 3.38 -0.75 0.12 115.31 120.96 2dsm h LEU 52 Ca 0.05 -0.12 0.28 0.00 0.09 0.00 0.00 57.88 58.19 2dsm h LEU 52 Cb 0.23 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 40.59 2dsm h LEU 52 CO -0.00 0.82 0.57 -0.09 0.09 0.00 0.00 178.44 179.83 2dsm h ARG 53 N 1.08 0.43 0.00 1.13 2.43 -0.65 -0.29 114.38 118.51 2dsm h ARG 53 Ca 0.27 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 2dsm h ARG 53 Cb 0.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2dsm h ARG 53 CO -0.04 0.28 -0.60 0.93 -1.51 0.00 0.00 179.97 179.03 2dsm h GLU 54 N 0.44 0.01 0.00 0.20 3.07 -0.88 -3.45 114.58 113.97 2dsm h GLU 54 Ca 0.69 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 2dsm h GLU 54 Cb 1.44 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.36 2dsm h GLU 54 CO -0.55 1.01 -0.08 0.37 -1.40 0.00 0.00 179.01 178.36 2dsm h GLN 55 N -0.98 0.00 -4.91 2.33 5.75 -0.02 -3.47 115.11 113.81 2dsm h GLN 55 Ca -0.16 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.23 2dsm h GLN 55 Cb 1.16 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 2dsm h GLN 55 CO -0.09 0.00 -0.15 1.28 -2.65 0.00 0.00 178.83 177.22 2dsm n LEU 56 N -2.65 -0.36 0.00 -2.39 4.77 -0.19 -4.77 117.00 111.41 2dsm n LEU 56 Ca -0.01 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2dsm n LEU 56 Cb 0.04 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 2dsm n LEU 56 CO 0.02 -0.01 0.24 0.61 -1.33 0.00 0.00 177.39 176.91 2dsm n GLY 57 N -0.63 -0.14 7.00 -0.72 0.00 -1.26 -5.11 105.19 104.34 2dsm n GLY 57 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2dsm n GLY 57 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dsm n PHE 58 N -0.10 0.00 -3.76 1.61 3.72 -1.26 -3.93 117.46 113.73 2dsm n PHE 58 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 2dsm n PHE 58 Cb 0.18 0.07 -0.11 0.00 -0.94 0.00 0.00 39.48 38.67 2dsm n PHE 58 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2dsm s GLU 59 N 0.00 2.16 -0.31 -1.08 2.56 -1.26 -4.60 118.70 116.17 2dsm s GLU 59 Ca 0.00 -1.70 -0.14 0.00 0.00 0.00 0.00 54.97 53.13 2dsm s GLU 59 Cb 0.00 -3.57 -0.03 0.00 2.00 0.00 0.00 34.13 32.53 2dsm s GLU 59 CO 0.00 -1.00 0.32 -0.06 -0.56 0.00 0.00 175.26 173.95 2dsm s PHE 60 N 1.20 3.22 0.22 5.30 0.40 -1.25 -5.01 117.98 122.06 2dsm s PHE 60 Ca 0.06 0.09 0.10 0.00 -0.60 0.00 0.00 56.93 56.57 2dsm s PHE 60 Cb -0.23 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 2dsm s PHE 60 CO -0.03 -0.32 -0.09 0.15 0.70 0.00 0.00 175.22 175.63 2dsm s LYS 61 N 1.95 2.06 0.06 0.44 -0.14 -1.26 -5.14 119.74 117.71 2dsm s LYS 61 Ca 0.11 -1.39 -0.02 0.00 -1.36 0.00 0.00 55.97 53.31 2dsm s LYS 61 Cb -0.16 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.86 2dsm s LYS 61 CO 0.11 0.40 0.01 -0.80 -0.76 0.00 0.00 175.35 174.31 2dsm s ASN 62 N -3.17 0.42 0.44 2.83 -0.87 -1.26 -5.03 114.94 108.30 2dsm s ASN 62 Ca 0.27 -0.96 0.24 0.00 -1.57 0.00 0.00 52.86 50.84 2dsm s ASN 62 Cb -0.08 0.23 0.75 0.00 -0.02 0.00 0.00 41.25 42.13 2dsm s ASN 62 CO 0.16 -0.63 1.75 0.00 -2.57 0.00 0.00 177.10 175.81 2dsm h ALA 63 N 3.07 0.95 -5.20 0.60 0.00 -2.00 -3.47 119.26 113.21 2dsm h ALA 63 Ca -0.34 -0.15 -0.39 0.00 0.00 0.00 0.00 54.91 54.02 2dsm h ALA 63 Cb 1.15 -0.03 0.11 0.00 0.00 0.00 0.00 17.79 19.02 2dsm h ALA 63 CO 0.64 0.21 -0.63 1.04 0.00 0.00 0.00 179.25 180.51 2dsm n GLN 64 N -3.23 -6.66 0.00 0.00 3.00 -1.26 -4.86 117.38 104.36 2dsm n GLN 64 Ca 0.01 0.84 0.14 0.00 -0.01 0.00 0.00 57.00 57.99 2dsm n GLN 64 Cb 0.48 -5.76 0.86 0.00 0.00 0.00 0.00 30.24 25.82 2dsm n GLN 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2dsm n LEU 65 N -4.53 0.00 -0.50 1.08 0.00 -1.26 -4.84 117.00 106.95 2dsm n LEU 65 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.91 2dsm n LEU 65 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.97 2dsm n LEU 65 CO 0.57 0.00 -0.06 1.21 0.00 0.00 0.00 177.39 179.10 2dsm n GLU 66 N -1.00 -0.70 -2.52 1.96 4.07 -1.26 -4.96 120.64 116.24 2dsm n GLU 66 Ca 0.22 0.65 -0.41 0.00 -0.06 0.00 0.00 57.16 57.56 2dsm n GLU 66 Cb 0.10 -4.47 -0.03 0.00 -0.06 0.00 0.00 31.44 26.98 2dsm n GLU 66 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2dsm s HIS 67 N -2.12 2.25 -0.21 4.31 2.46 -1.26 -4.93 115.29 115.78 2dsm s HIS 67 Ca 0.00 -0.04 -0.34 0.00 0.47 0.00 0.00 55.06 55.15 2dsm s HIS 67 Cb 0.00 -4.60 -0.11 0.00 -0.13 0.00 0.00 32.58 27.74 2dsm s HIS 67 CO 0.00 -2.08 2.02 -2.39 -2.47 0.00 0.00 174.74 169.82 2dsm n HIS 68 N 9.57 2.01 -3.68 3.88 1.44 -1.26 -4.93 115.22 122.26 2dsm n HIS 68 Ca 0.06 0.11 -0.37 0.00 -2.01 0.00 0.00 57.72 55.52 2dsm n HIS 68 Cb 0.49 -2.61 -0.10 0.00 0.12 0.00 0.00 29.99 27.89 2dsm n HIS 68 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2dsm s HIS 69 N 5.75 3.27 -1.02 -1.40 -3.43 -1.26 -5.02 115.29 112.19 2dsm s HIS 69 Ca 1.00 0.14 -0.23 0.00 -0.80 0.00 0.00 55.06 55.17 2dsm s HIS 69 Cb -0.73 -2.27 0.02 0.00 -1.43 0.00 0.00 32.58 28.17 2dsm s HIS 69 CO 0.50 -0.01 1.64 -1.58 -2.00 0.00 0.00 174.74 173.29 2dsm s HIS 70 N 1.19 2.31 -0.93 0.38 2.46 -1.26 -4.67 115.29 114.77 2dsm s HIS 70 Ca 0.07 -0.42 0.23 0.00 0.47 0.00 0.00 55.06 55.41 2dsm s HIS 70 Cb -0.14 -4.48 0.05 0.00 -0.13 0.00 0.00 32.58 27.88 2dsm s HIS 70 CO 0.05 -1.84 1.08 1.58 -2.47 0.00 0.00 174.74 173.14 2dsm n HIS 71 N 10.59 0.03 -0.97 3.88 -0.00 -1.26 -5.36 115.22 122.13 2dsm n HIS 71 Ca 0.37 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 2dsm n HIS 71 Cb 0.49 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.34 2dsm n HIS 71 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92