#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsm s VAL 2 N 0.00 1.53 0.22 1.12 -7.23 -1.26 -5.16 120.40 109.62 2dsm s VAL 2 Ca 0.00 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.26 2dsm s VAL 2 Cb 0.00 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 2dsm s VAL 2 CO 0.00 0.00 -0.16 -1.83 -0.31 0.00 0.00 175.10 172.80 2dsm s GLU 3 N -3.79 1.41 -0.25 4.82 1.03 -1.26 -5.14 118.70 115.53 2dsm s GLU 3 Ca 0.27 -1.62 -0.02 0.00 0.03 0.00 0.00 54.97 53.63 2dsm s GLU 3 Cb 0.07 -1.29 0.13 0.00 -0.80 0.00 0.00 34.13 32.25 2dsm s GLU 3 CO 0.13 0.23 0.37 0.54 -1.33 0.00 0.00 175.26 175.20 2dsm s ASN 4 N -3.31 0.33 0.43 0.83 2.20 -1.26 -5.02 114.94 109.14 2dsm s ASN 4 Ca 0.24 0.15 0.14 0.00 -0.94 0.00 0.00 52.86 52.45 2dsm s ASN 4 Cb -0.02 1.07 1.03 0.00 -2.00 0.00 0.00 41.25 41.33 2dsm s ASN 4 CO 0.09 -0.31 1.95 1.55 -2.94 0.00 0.00 177.10 177.45 2dsm h PRO 5 N 8.19 0.41 -4.13 3.55 0.13 -2.04 -3.42 132.00 134.69 2dsm h PRO 5 Ca -0.19 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.79 2dsm h PRO 5 Cb 1.15 -0.09 -0.16 0.00 0.13 0.00 0.00 31.00 32.03 2dsm h PRO 5 CO 0.27 0.27 -0.65 0.00 -0.23 0.00 0.00 178.00 177.67 2dsm s MET 6 N -5.40 0.57 -0.92 0.86 0.23 -1.26 -5.09 119.30 108.29 2dsm s MET 6 Ca -0.08 -1.06 -0.24 0.00 -1.03 0.00 0.00 55.69 53.28 2dsm s MET 6 Cb 0.20 0.20 0.03 0.00 -1.53 0.00 0.00 34.83 33.74 2dsm s MET 6 CO 0.76 -0.11 1.49 0.08 -2.03 0.00 0.00 175.02 175.20 2dsm s VAL 7 N -3.38 3.79 0.28 5.16 1.01 -1.26 -4.97 120.40 121.03 2dsm s VAL 7 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2dsm s VAL 7 Cb 0.04 -4.85 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 2dsm s VAL 7 CO -0.08 -1.75 0.51 0.27 0.00 0.00 0.00 175.10 174.05 2dsm s ILE 8 N 5.97 5.09 -0.58 2.22 -4.36 -1.26 -5.05 121.20 123.23 2dsm s ILE 8 Ca 0.47 -0.16 -0.23 0.00 -0.26 0.00 0.00 60.65 60.48 2dsm s ILE 8 Cb -0.03 -3.76 0.06 0.00 1.25 0.00 0.00 42.46 39.97 2dsm s ILE 8 CO -0.01 -0.34 0.88 0.21 0.24 0.00 0.00 174.94 175.92 2dsm s ASN 9 N -3.35 6.26 0.68 4.36 3.84 -1.26 -5.03 114.94 120.43 2dsm s ASN 9 Ca 0.42 -0.71 -0.02 0.00 0.21 0.00 0.00 52.86 52.76 2dsm s ASN 9 Cb -0.11 -2.40 0.09 0.00 -0.55 0.00 0.00 41.25 38.29 2dsm s ASN 9 CO 0.31 -1.24 0.95 0.20 -2.79 0.00 0.00 177.10 174.53 2dsm s ASN 10 N 3.13 4.64 0.23 -4.21 -0.87 -1.26 -5.00 114.94 111.59 2dsm s ASN 10 Ca 0.24 -0.08 -0.08 0.00 -1.57 0.00 0.00 52.86 51.37 2dsm s ASN 10 Cb -0.16 -0.48 0.23 0.00 -0.02 0.00 0.00 41.25 40.82 2dsm s ASN 10 CO 0.14 -1.65 1.88 -0.50 -2.57 0.00 0.00 177.10 174.40 2dsm h TRP 11 N -0.42 1.00 0.00 2.20 6.55 -2.06 -3.45 115.95 119.77 2dsm h TRP 11 Ca -0.40 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.47 2dsm h TRP 11 Cb 1.28 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 29.25 2dsm h TRP 11 CO 0.01 0.59 0.00 1.58 -1.05 0.00 0.00 178.44 179.58 2dsm n HIS 12 N -4.56 0.00 -3.76 0.49 -0.00 -1.26 -4.43 115.22 101.71 2dsm n HIS 12 Ca 0.10 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.15 2dsm n HIS 12 Cb 0.07 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.80 2dsm n HIS 12 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2dsm s ASP 13 N -4.00 -0.16 -0.08 0.26 1.01 -1.26 -5.16 116.67 107.28 2dsm s ASP 13 Ca 0.00 0.35 -0.09 0.00 0.71 0.00 0.00 52.55 53.53 2dsm s ASP 13 Cb 0.00 0.27 0.02 0.00 1.01 0.00 0.00 42.92 44.22 2dsm s ASP 13 CO 0.00 -0.13 0.24 -0.75 0.21 0.00 0.00 175.17 174.74 2dsm s LYS 14 N 0.95 0.30 0.23 8.23 2.20 -1.26 -5.17 119.74 125.23 2dsm s LYS 14 Ca -0.07 0.29 0.05 0.00 -0.36 0.00 0.00 55.97 55.87 2dsm s LYS 14 Cb -0.09 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 2dsm s LYS 14 CO -0.05 -0.04 -0.04 -0.48 -0.36 0.00 0.00 175.35 174.38 2dsm s LEU 15 N 0.01 2.33 -0.08 5.43 2.34 -1.26 -5.15 118.68 122.30 2dsm s LEU 15 Ca -0.01 -1.17 -0.07 0.00 0.06 0.00 0.00 54.13 52.93 2dsm s LEU 15 Cb -0.02 -0.39 -0.04 0.00 -0.56 0.00 0.00 46.19 45.18 2dsm s LEU 15 CO 0.01 -0.43 0.19 0.42 -1.06 0.00 0.00 176.35 175.48 2dsm s THR 16 N -3.29 5.42 -0.01 5.48 -4.23 -1.26 -5.06 115.64 112.70 2dsm s THR 16 Ca 0.27 0.23 -0.30 0.00 -1.18 0.00 0.00 61.69 60.71 2dsm s THR 16 Cb 0.04 -3.47 -0.06 0.00 1.34 0.00 0.00 72.50 70.35 2dsm s THR 16 CO 0.08 0.55 1.51 -1.61 -0.54 0.00 0.00 174.62 174.61 2dsm s GLU 17 N -1.23 4.23 0.01 3.99 8.01 -1.26 -4.95 118.70 127.51 2dsm s GLU 17 Ca 0.19 2.08 -0.07 0.00 0.01 0.00 0.00 54.97 57.17 2dsm s GLU 17 Cb -0.13 -3.70 -0.04 0.00 -4.31 0.00 0.00 34.13 25.96 2dsm s GLU 17 CO 0.08 -0.69 0.98 1.15 0.01 0.00 0.00 175.26 176.79 2dsm h THR 18 N 5.10 0.00 0.00 3.63 2.02 -2.06 -3.41 112.91 118.19 2dsm h THR 18 Ca -0.38 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 2dsm h THR 18 Cb 1.18 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.48 2dsm h THR 18 CO 0.93 0.00 -0.57 -0.67 0.37 0.00 0.00 175.52 175.58 2dsm n ASP 19 N -2.78 0.21 -4.67 4.18 2.03 -1.26 -5.08 116.55 109.17 2dsm n ASP 19 Ca -0.03 -1.88 -0.43 0.00 0.52 0.00 0.00 54.79 52.97 2dsm n ASP 19 Cb 0.10 -0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 40.30 2dsm n ASP 19 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dsm s VAL 20 N 0.00 4.28 0.03 5.18 1.01 -1.26 -5.01 120.40 124.63 2dsm s VAL 20 Ca 0.09 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.50 2dsm s VAL 20 Cb 0.10 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 2dsm s VAL 20 CO -0.04 -0.11 0.40 0.00 0.00 0.00 0.00 175.10 175.35 2dsm s GLN 21 N 3.20 3.84 0.09 2.72 -2.07 -1.25 -4.98 119.66 121.20 2dsm s GLN 21 Ca 0.55 0.30 0.07 0.00 -1.82 0.00 0.00 55.36 54.47 2dsm s GLN 21 Cb -0.22 -3.12 -0.04 0.00 -1.09 0.00 0.00 33.01 28.54 2dsm s GLN 21 CO 0.16 0.64 -0.14 0.42 -1.32 0.00 0.00 175.29 175.05 2dsm s ILE 22 N -1.21 3.07 1.00 3.63 1.01 -1.26 -0.97 121.20 126.48 2dsm s ILE 22 Ca 0.27 -1.29 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 2dsm s ILE 22 Cb -0.15 -2.39 0.20 0.00 0.01 0.00 0.00 42.46 40.13 2dsm s ILE 22 CO 0.15 0.18 1.20 1.51 0.00 0.00 0.00 174.94 177.98 2dsm s ASP 23 N -1.95 2.71 0.38 3.58 -4.77 -1.26 -4.74 116.67 110.61 2dsm s ASP 23 Ca 0.18 0.62 0.07 0.00 -3.30 0.00 0.00 52.55 50.12 2dsm s ASP 23 Cb -0.11 -0.91 0.79 0.00 -1.09 0.00 0.00 42.92 41.60 2dsm s ASP 23 CO 0.10 -3.02 1.97 0.15 0.70 0.00 0.00 175.17 175.07 2dsm h PHE 24 N -1.83 0.70 0.00 2.11 3.57 0.04 -2.18 116.94 119.34 2dsm h PHE 24 Ca -0.47 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2dsm h PHE 24 Cb 1.29 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2dsm h PHE 24 CO -0.88 0.37 -0.13 0.66 -2.23 0.00 0.00 178.31 176.09 2dsm n TYR 25 N -4.48 0.18 -1.77 0.41 4.02 -1.26 -4.93 117.16 109.34 2dsm n TYR 25 Ca 0.10 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 2dsm n TYR 25 Cb 0.24 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 2dsm n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dsm n GLY 26 N 1.46 0.94 0.00 2.72 0.00 -0.82 -5.06 105.19 104.43 2dsm n GLY 26 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2dsm n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dsm n ASP 27 N 0.95 0.00 0.00 1.61 2.03 -1.26 -4.99 116.55 114.89 2dsm n ASP 27 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2dsm n ASP 27 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2dsm n ASP 27 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2dsm n GLU 28 N 0.00 0.00 -3.69 -0.67 2.13 -1.26 -4.87 120.64 112.28 2dsm n GLU 28 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2dsm n GLU 28 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 2dsm n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2dsm s VAL 29 N 0.00 3.85 0.51 6.31 1.01 -0.14 -4.85 120.40 127.09 2dsm s VAL 29 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.45 2dsm s VAL 29 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2dsm s VAL 29 CO 0.00 -0.48 0.75 0.42 0.00 0.00 0.00 175.10 175.78 2dsm s THR 30 N 1.34 3.30 -1.08 3.92 -4.23 -1.26 -3.96 115.64 113.67 2dsm s THR 30 Ca 0.03 -0.54 0.07 0.00 -1.18 0.00 0.00 61.69 60.08 2dsm s THR 30 Cb -0.22 -3.24 0.07 0.00 1.34 0.00 0.00 72.50 70.45 2dsm s THR 30 CO 0.00 -0.17 1.21 -0.81 -0.54 0.00 0.00 174.62 174.31 2dsm n PRO 31 N -2.26 0.02 -0.79 3.99 -0.04 -1.26 -1.52 135.00 133.14 2dsm n PRO 31 Ca 0.05 0.34 -0.04 0.00 -0.04 0.00 0.00 63.50 63.81 2dsm n PRO 31 Cb 0.59 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.75 2dsm n PRO 31 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dsm n VAL 32 N -1.46 2.54 -4.60 0.52 0.31 -1.26 -4.97 118.33 109.42 2dsm n VAL 32 Ca 0.02 -2.70 -0.22 0.00 -0.01 0.00 0.00 64.34 61.43 2dsm n VAL 32 Cb 0.08 -0.32 -0.15 0.00 -0.91 0.00 0.00 33.84 32.54 2dsm n VAL 32 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dsm s ASP 33 N -2.51 1.55 -0.12 4.52 -1.08 -0.57 -5.13 116.67 113.34 2dsm s ASP 33 Ca 0.45 -0.24 -0.21 0.00 -0.52 0.00 0.00 52.55 52.03 2dsm s ASP 33 Cb 0.40 -0.19 -0.04 0.00 -1.46 0.00 0.00 42.92 41.64 2dsm s ASP 33 CO 0.00 0.16 0.59 -1.81 0.52 0.00 0.00 175.17 174.63 2dsm s ASP 34 N -0.28 6.80 0.21 -0.34 1.01 -1.26 -4.77 116.67 118.04 2dsm s ASP 34 Ca 0.04 0.96 -0.03 0.00 0.71 0.00 0.00 52.55 54.23 2dsm s ASP 34 Cb -0.05 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 2dsm s ASP 34 CO -0.00 -0.10 0.20 -0.72 0.21 0.00 0.00 175.17 174.75 2dsm s TYR 35 N 0.97 1.00 -0.02 4.23 1.13 -1.26 -1.50 117.35 121.91 2dsm s TYR 35 Ca 0.31 -1.25 0.01 0.00 -1.41 0.00 0.00 57.07 54.73 2dsm s TYR 35 Cb -0.16 -0.41 0.01 0.00 -1.10 0.00 0.00 41.96 40.30 2dsm s TYR 35 CO 0.13 -0.71 -0.03 0.08 -2.51 0.00 0.00 175.55 172.50 2dsm s VAL 36 N -4.12 0.34 -0.34 -3.49 1.01 0.09 -4.85 120.40 109.04 2dsm s VAL 36 Ca 0.36 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 2dsm s VAL 36 Cb 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 2dsm s VAL 36 CO 0.12 0.13 0.40 -0.63 0.00 0.00 0.00 175.10 175.12 2dsm s ILE 37 N 0.36 5.13 -0.96 2.22 1.01 -1.26 -1.06 121.20 126.65 2dsm s ILE 37 Ca -0.04 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 2dsm s ILE 37 Cb -0.07 -3.85 0.16 0.00 0.01 0.00 0.00 42.46 38.71 2dsm s ILE 37 CO -0.00 -0.12 1.09 -0.62 0.00 0.00 0.00 174.94 175.29 2dsm s ASP 38 N 1.74 6.76 0.00 3.58 2.15 0.34 -4.49 116.67 126.74 2dsm s ASP 38 Ca 0.13 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.70 2dsm s ASP 38 Cb -0.16 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2dsm s ASP 38 CO 0.12 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.86 2dsm n GLY 39 N 4.80 2.15 0.00 2.66 0.00 -1.26 -3.12 105.19 110.42 2dsm n GLY 39 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.06 3.86 -0.02 0.00 -1.26 -4.34 105.19 103.48 2dsm n GLY 40 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2dsm n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dsm s GLU 41 N 0.00 3.92 -0.16 1.61 2.56 -1.18 -5.05 118.70 120.39 2dsm s GLU 41 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 54.97 55.25 2dsm s GLU 41 Cb 0.00 -2.76 -0.04 0.00 2.00 0.00 0.00 34.13 33.33 2dsm s GLU 41 CO 0.00 0.37 0.38 0.42 -0.56 0.00 0.00 175.26 175.87 2dsm s ILE 42 N -1.67 5.24 -0.06 -3.70 1.01 -1.26 -0.51 121.20 120.26 2dsm s ILE 42 Ca 0.44 0.71 0.02 0.00 0.00 0.00 0.00 60.65 61.82 2dsm s ILE 42 Cb -0.13 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2dsm s ILE 42 CO 0.20 0.33 -0.10 -0.63 0.00 0.00 0.00 174.94 174.74 2dsm s ILE 43 N 0.73 1.00 0.30 2.92 1.09 -0.22 0.82 121.20 127.84 2dsm s ILE 43 Ca 0.20 -0.39 -0.29 0.00 -1.10 0.00 0.00 60.65 59.07 2dsm s ILE 43 Cb -0.14 -0.93 -0.10 0.00 -1.06 0.00 0.00 42.46 40.23 2dsm s ILE 43 CO 0.07 0.33 1.31 -0.22 -0.10 0.00 0.00 174.94 176.33 2dsm s LEU 44 N 0.75 4.43 0.63 2.97 0.20 -1.26 -0.73 118.68 125.67 2dsm s LEU 44 Ca -0.13 2.63 0.30 0.00 0.69 0.00 0.00 54.13 57.62 2dsm s LEU 44 Cb -0.15 -3.64 1.60 0.00 -0.43 0.00 0.00 46.19 43.57 2dsm s LEU 44 CO 0.03 -0.54 1.94 0.03 -0.29 0.00 0.00 176.35 177.52 2dsm h ARG 45 N 3.85 0.00 0.24 1.98 2.47 -1.59 0.11 114.38 121.42 2dsm h ARG 45 Ca -0.48 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 57.93 2dsm h ARG 45 Cb 1.22 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.58 2dsm h ARG 45 CO 0.68 0.00 -1.39 1.49 0.56 0.00 0.00 179.97 181.32 2dsm h GLU 46 N 0.00 0.50 -0.01 0.04 4.81 -1.90 -3.22 114.58 114.81 2dsm h GLU 46 Ca 0.08 -0.85 0.00 0.00 -0.13 0.00 0.00 59.36 58.45 2dsm h GLU 46 Cb 0.79 0.32 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2dsm h GLU 46 CO -0.00 1.41 -0.17 0.09 -0.73 0.00 0.00 179.01 179.60 2dsm n ASN 47 N -3.79 0.79 -0.18 1.04 3.02 -0.23 -4.16 115.26 111.76 2dsm n ASN 47 Ca -0.17 -0.78 -0.07 0.00 -0.03 0.00 0.00 54.58 53.53 2dsm n ASN 47 Cb 1.06 0.03 0.02 0.00 -0.61 0.00 0.00 39.78 40.28 2dsm n ASN 47 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2dsm h LEU 48 N 0.97 0.66 -0.63 3.41 5.85 -0.87 -2.40 115.31 122.29 2dsm h LEU 48 Ca 0.00 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.71 2dsm h LEU 48 Cb 0.43 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2dsm h LEU 48 CO 0.00 0.57 0.26 -0.08 -0.34 0.00 0.00 178.44 178.85 2dsm h GLU 49 N 0.69 0.44 -0.11 1.25 4.57 -1.75 0.28 114.58 119.96 2dsm h GLU 49 Ca 0.18 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2dsm h GLU 49 Cb 0.07 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2dsm h GLU 49 CO -0.03 0.29 0.05 -0.09 -1.18 0.00 0.00 179.01 178.06 2dsm h ARG 50 N 0.45 0.16 -0.35 1.92 9.65 -1.77 -2.32 114.38 122.12 2dsm h ARG 50 Ca 0.32 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 59.06 2dsm h ARG 50 Cb 0.37 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2dsm h ARG 50 CO -0.29 0.23 -0.22 -0.92 2.80 0.00 0.00 179.97 181.57 2dsm h TYR 51 N 0.05 0.77 -0.55 2.20 3.20 -0.82 -1.86 116.97 119.97 2dsm h TYR 51 Ca 0.04 -0.17 -0.11 0.00 3.14 0.00 0.00 58.73 61.63 2dsm h TYR 51 Cb 0.12 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2dsm h TYR 51 CO -0.03 0.85 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.19 2dsm h LEU 52 N 0.60 1.01 -1.35 2.82 3.38 -0.43 0.40 115.31 121.74 2dsm h LEU 52 Ca 0.09 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2dsm h LEU 52 Cb 0.70 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2dsm h LEU 52 CO 0.05 1.10 -0.08 0.03 0.09 0.00 0.00 178.44 179.63 2dsm h ARG 53 N 0.91 0.00 0.00 1.13 3.08 -1.10 -1.92 114.38 116.48 2dsm h ARG 53 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2dsm h ARG 53 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 2dsm h ARG 53 CO 0.04 0.08 -0.17 0.93 -1.07 0.00 0.00 179.97 179.79 2dsm h GLU 54 N 0.00 0.00 0.00 0.04 4.39 -0.75 -3.46 114.58 114.79 2dsm h GLU 54 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dsm h GLU 54 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2dsm h GLU 54 CO 0.01 0.05 -0.21 0.94 -1.16 0.00 0.00 179.01 178.64 2dsm n GLN 55 N -4.72 0.11 -4.37 2.33 7.27 0.14 -4.97 117.38 113.18 2dsm n GLN 55 Ca -0.03 0.05 -0.37 0.00 0.07 0.00 0.00 57.00 56.72 2dsm n GLN 55 Cb 0.10 -0.64 -0.07 0.00 2.41 0.00 0.00 30.24 32.04 2dsm n GLN 55 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2dsm n LEU 56 N -2.96 -1.19 0.00 1.69 0.00 -0.73 -4.84 117.00 108.97 2dsm n LEU 56 Ca -0.03 -1.18 0.00 0.00 0.00 0.00 0.00 56.01 54.80 2dsm n LEU 56 Cb 0.11 -1.77 0.00 0.00 0.00 0.00 0.00 43.42 41.76 2dsm n LEU 56 CO 0.05 0.26 0.33 0.61 0.00 0.00 0.00 177.39 178.64 2dsm n GLY 57 N -1.59 0.45 7.00 -3.96 0.00 -1.26 -5.10 105.19 100.73 2dsm n GLY 57 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.22 -0.28 -3.78 1.61 3.72 -1.26 -3.99 117.46 113.25 2dsm n PHE 58 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 2dsm n PHE 58 Cb 0.24 0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.76 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 2.09 -0.42 -1.08 2.56 -1.26 -4.52 118.70 116.08 2dsm s GLU 59 Ca 0.00 -1.73 -0.17 0.00 0.00 0.00 0.00 54.97 53.08 2dsm s GLU 59 Cb 0.00 -3.55 0.02 0.00 2.00 0.00 0.00 34.13 32.60 2dsm s GLU 59 CO 0.00 -1.01 0.39 -0.06 -0.56 0.00 0.00 175.26 174.02 2dsm s PHE 60 N 1.17 3.19 0.32 5.30 0.08 -1.26 -5.02 117.98 121.77 2dsm s PHE 60 Ca 0.06 -0.43 0.08 0.00 0.12 0.00 0.00 56.93 56.76 2dsm s PHE 60 Cb -0.22 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 2dsm s PHE 60 CO -0.03 -0.66 0.14 0.15 -0.10 0.00 0.00 175.22 174.71 2dsm s LYS 61 N 1.99 2.45 0.32 0.44 -0.14 -1.26 -5.14 119.74 118.40 2dsm s LYS 61 Ca 0.10 -1.45 0.02 0.00 -1.36 0.00 0.00 55.97 53.28 2dsm s LYS 61 Cb -0.18 -2.24 -0.01 0.00 -1.68 0.00 0.00 37.83 33.72 2dsm s LYS 61 CO 0.12 0.18 0.38 0.09 -0.76 0.00 0.00 175.35 175.37 2dsm n ASN 62 N -1.13 -1.03 0.11 2.83 3.02 -1.26 -5.01 115.26 112.79 2dsm n ASN 62 Ca -0.04 -2.91 0.05 0.00 -0.03 0.00 0.00 54.58 51.65 2dsm n ASN 62 Cb 0.60 2.06 0.50 0.00 -0.61 0.00 0.00 39.78 42.34 2dsm n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dsm h ALA 63 N 2.00 1.80 0.00 5.41 0.00 -2.03 -3.45 119.26 122.99 2dsm h ALA 63 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2dsm h ALA 63 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2dsm h ALA 63 CO 0.34 0.18 0.00 0.94 0.00 0.00 0.00 179.25 180.71 2dsm n GLN 64 N -4.48 0.00 -0.22 0.00 7.27 -1.26 -4.46 117.38 114.23 2dsm n GLN 64 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.05 2dsm n GLN 64 Cb 0.09 -0.13 0.08 0.00 2.41 0.00 0.00 30.24 32.69 2dsm n GLN 64 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2dsm h LEU 65 N 0.00 0.56 -2.55 1.69 7.12 -2.06 -3.48 115.31 116.60 2dsm h LEU 65 Ca 0.00 0.02 -0.07 0.00 0.13 0.00 0.00 57.88 57.96 2dsm h LEU 65 Cb 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 2dsm h LEU 65 CO 0.00 0.38 -0.35 1.21 -0.13 0.00 0.00 178.44 179.55 2dsm n GLU 66 N -4.77 -1.73 -1.95 1.25 0.00 -1.26 -4.89 120.64 107.28 2dsm n GLU 66 Ca 0.07 1.63 -0.42 0.00 0.00 0.00 0.00 57.16 58.44 2dsm n GLU 66 Cb 0.14 -5.17 -0.03 0.00 0.00 0.00 0.00 31.44 26.37 2dsm n GLU 66 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2dsm s HIS 67 N -2.77 2.11 -1.17 4.31 0.00 -1.26 -4.86 115.29 111.64 2dsm s HIS 67 Ca 0.11 0.20 -0.18 0.00 -3.00 0.00 0.00 55.06 52.18 2dsm s HIS 67 Cb -0.03 -3.96 -0.04 0.00 -4.00 0.00 0.00 32.58 24.55 2dsm s HIS 67 CO 0.78 -3.99 2.07 -2.39 -1.00 0.00 0.00 174.74 170.20 2dsm n HIS 68 N 6.50 2.93 0.00 0.38 1.44 -1.26 -4.86 115.22 120.35 2dsm n HIS 68 Ca 0.17 -2.45 0.00 0.00 -2.01 0.00 0.00 57.72 53.43 2dsm n HIS 68 Cb 0.42 -2.24 0.00 0.00 0.12 0.00 0.00 29.99 28.29 2dsm n HIS 68 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2dsm n HIS 69 N 7.17 0.00 0.00 -1.40 8.25 -1.26 -3.53 115.22 124.46 2dsm n HIS 69 Ca 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 2dsm n HIS 69 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 2dsm n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2dsm n HIS 70 N 0.00 0.00 0.00 4.41 -0.00 -1.26 -5.06 115.22 113.31 2dsm n HIS 70 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2dsm n HIS 70 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2dsm n HIS 70 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2dsm n HIS 71 N -0.42 0.00 -0.77 1.57 -0.00 -1.23 -5.31 115.22 109.06 2dsm n HIS 71 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2dsm n HIS 71 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2dsm n HIS 71 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38