#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsm n VAL 2 N 0.00 1.53 -0.52 2.03 0.31 -1.26 -4.48 118.33 115.94 2dsm n VAL 2 Ca 0.00 -0.32 -0.10 0.00 -0.01 0.00 0.00 64.34 63.92 2dsm n VAL 2 Cb 0.00 -1.91 0.03 0.00 -0.91 0.00 0.00 33.84 31.05 2dsm n VAL 2 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dsm n GLU 3 N -4.27 1.47 -0.89 5.55 4.71 -1.26 -4.90 120.64 121.04 2dsm n GLU 3 Ca -0.50 -0.95 0.00 0.00 -0.01 0.00 0.00 57.16 55.70 2dsm n GLU 3 Cb 0.85 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.91 2dsm n GLU 3 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2dsm n ASN 4 N 0.63 -5.16 -4.67 1.62 5.15 -1.26 -4.87 115.26 106.69 2dsm n ASN 4 Ca 0.18 0.58 -0.42 0.00 -0.60 0.00 0.00 54.58 54.32 2dsm n ASN 4 Cb 0.61 -1.87 -0.03 0.00 -0.53 0.00 0.00 39.78 37.96 2dsm n ASN 4 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2dsm s PRO 5 N -2.91 4.17 -0.82 1.20 0.04 -1.26 -4.85 135.00 130.56 2dsm s PRO 5 Ca 0.00 2.42 -0.18 0.00 0.04 0.00 0.00 61.00 63.28 2dsm s PRO 5 Cb 0.00 -3.88 0.14 0.00 0.04 0.00 0.00 34.50 30.79 2dsm s PRO 5 CO 0.00 -0.85 0.96 -1.64 0.04 0.00 0.00 177.00 175.51 2dsm s MET 6 N 3.61 3.44 -0.01 4.56 -1.94 -1.26 -4.74 119.30 122.95 2dsm s MET 6 Ca 0.79 -1.71 0.15 0.00 -1.71 0.00 0.00 55.69 53.21 2dsm s MET 6 Cb -0.40 -4.63 -0.21 0.00 2.01 0.00 0.00 34.83 31.61 2dsm s MET 6 CO 0.35 -1.64 0.43 1.33 -0.01 0.00 0.00 175.02 175.48 2dsm n VAL 7 N 5.26 0.00 -2.67 -6.03 0.24 -1.26 -4.81 118.33 109.07 2dsm n VAL 7 Ca 0.13 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.73 2dsm n VAL 7 Cb 0.47 0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 2dsm n VAL 7 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2dsm s ILE 8 N -2.80 4.13 -0.21 1.34 1.01 -1.26 -4.72 121.20 118.70 2dsm s ILE 8 Ca -0.01 -0.87 0.12 0.00 0.00 0.00 0.00 60.65 59.89 2dsm s ILE 8 Cb 0.10 -4.96 -0.23 0.00 0.01 0.00 0.00 42.46 37.38 2dsm s ILE 8 CO 0.61 -1.80 0.02 -3.20 0.00 0.00 0.00 174.94 170.58 2dsm n ASN 9 N 8.27 0.67 0.05 3.58 2.85 -1.26 -4.22 115.26 125.20 2dsm n ASN 9 Ca 0.27 -0.01 0.09 0.00 -0.11 0.00 0.00 54.58 54.82 2dsm n ASN 9 Cb 0.50 0.49 0.39 0.00 1.24 0.00 0.00 39.78 42.39 2dsm n ASN 9 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2dsm n ASN 10 N -2.93 0.24 -1.40 1.20 4.05 -1.26 -4.97 115.26 110.19 2dsm n ASN 10 Ca -0.36 0.56 0.00 0.00 0.45 0.00 0.00 54.58 55.23 2dsm n ASN 10 Cb 1.10 -0.61 0.00 0.00 1.23 0.00 0.00 39.78 41.50 2dsm n ASN 10 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 2dsm n TRP 11 N -1.76 -2.04 0.43 1.20 8.01 -1.26 -4.98 117.44 117.03 2dsm n TRP 11 Ca 0.03 1.22 0.06 0.00 -1.31 0.00 0.00 57.50 57.51 2dsm n TRP 11 Cb 0.20 -2.75 -0.08 0.00 -2.01 0.00 0.00 31.31 26.68 2dsm n TRP 11 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 2dsm n HIS 12 N 0.78 0.00 -2.60 -5.99 -0.00 -1.26 -4.96 115.22 101.18 2dsm n HIS 12 Ca 0.00 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.81 2dsm n HIS 12 Cb 0.00 -0.08 -0.05 0.00 -0.12 0.00 0.00 29.99 29.74 2dsm n HIS 12 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2dsm s ASP 13 N -2.57 7.00 0.12 0.26 2.15 -1.26 -4.98 116.67 117.40 2dsm s ASP 13 Ca 0.02 2.02 -0.30 0.00 0.43 0.00 0.00 52.55 54.71 2dsm s ASP 13 Cb 0.09 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 40.05 2dsm s ASP 13 CO 0.53 -0.32 1.21 -0.54 -0.17 0.00 0.00 175.17 175.89 2dsm s LYS 14 N -2.20 4.45 -0.51 4.34 1.02 -1.26 -4.91 119.74 120.67 2dsm s LYS 14 Ca 0.53 1.84 -0.05 0.00 0.02 0.00 0.00 55.97 58.32 2dsm s LYS 14 Cb -0.23 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2dsm s LYS 14 CO 0.29 -0.19 2.94 1.28 -0.92 0.00 0.00 175.35 178.74 2dsm n LEU 15 N 3.26 6.49 0.00 3.17 7.99 -1.26 -4.96 117.00 131.68 2dsm n LEU 15 Ca 0.07 -3.98 0.16 0.00 -0.01 0.00 0.00 56.01 52.25 2dsm n LEU 15 Cb 0.45 -1.31 -0.04 0.00 -0.11 0.00 0.00 43.42 42.41 2dsm n LEU 15 CO 0.56 1.78 -0.22 0.35 -1.51 0.00 0.00 177.39 178.36 2dsm n THR 16 N 1.50 0.00 -0.08 -5.08 -2.24 -1.26 -3.98 114.28 103.13 2dsm n THR 16 Ca 0.51 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.17 2dsm n THR 16 Cb 0.59 -0.40 0.08 0.00 -2.10 0.00 0.00 70.33 68.50 2dsm n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dsm n GLU 17 N -3.68 1.59 0.00 -0.78 1.02 -1.26 -4.95 120.64 112.58 2dsm n GLU 17 Ca 0.01 -1.39 0.00 0.00 -0.02 0.00 0.00 57.16 55.76 2dsm n GLU 17 Cb 0.54 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 2dsm n GLU 17 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2dsm n THR 18 N -0.21 0.00 -1.90 2.62 -1.04 -1.26 -1.81 114.28 110.68 2dsm n THR 18 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 2dsm n THR 18 Cb 1.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 2dsm n THR 18 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2dsm n ASP 19 N 4.00 0.00 -4.49 8.00 2.03 -1.26 -5.06 116.55 119.77 2dsm n ASP 19 Ca 0.00 -1.32 -0.43 0.00 0.52 0.00 0.00 54.79 53.57 2dsm n ASP 19 Cb 0.00 -0.06 -0.04 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 4.32 0.31 5.18 1.01 -0.75 -4.81 120.40 125.67 2dsm s VAL 20 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2dsm s VAL 20 Cb 0.00 -4.63 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 2dsm s VAL 20 CO 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 175.10 173.77 2dsm s GLN 21 N 4.10 1.65 0.18 2.72 1.03 -1.24 -4.88 119.66 123.21 2dsm s GLN 21 Ca 0.27 -1.88 0.10 0.00 0.04 0.00 0.00 55.36 53.89 2dsm s GLN 21 Cb -0.14 -1.15 -0.04 0.00 0.03 0.00 0.00 33.01 31.70 2dsm s GLN 21 CO 0.15 -0.04 -0.16 0.42 -2.54 0.00 0.00 175.29 173.12 2dsm s ILE 22 N -3.04 2.83 0.00 3.63 1.01 -1.26 -0.63 121.20 123.74 2dsm s ILE 22 Ca 0.33 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 59.19 2dsm s ILE 22 Cb 0.06 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.15 2dsm s ILE 22 CO 0.14 -0.09 0.00 -0.90 0.00 0.00 0.00 174.94 174.09 2dsm n ASP 23 N 0.20 0.00 0.16 3.58 5.75 -1.26 -4.67 116.55 120.31 2dsm n ASP 23 Ca -0.12 -0.01 0.05 0.00 -0.01 0.00 0.00 54.79 54.71 2dsm n ASP 23 Cb 0.55 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.71 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 -0.01 0.00 0.13 2.11 3.57 -0.98 -3.32 116.94 118.45 2dsm h PHE 24 Ca 0.00 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.23 2dsm h PHE 24 Cb 0.00 0.00 0.03 0.00 2.79 0.00 0.00 35.95 38.77 2dsm h PHE 24 CO 0.00 0.35 -1.15 -0.92 -2.23 0.00 0.00 178.31 174.36 2dsm h TYR 25 N 0.00 0.91 0.00 0.41 3.20 -1.94 -3.49 116.97 116.06 2dsm h TYR 25 Ca -0.00 -0.59 0.00 0.00 3.14 0.00 0.00 58.73 61.28 2dsm h TYR 25 Cb 1.27 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2dsm h TYR 25 CO 0.00 1.43 0.00 0.41 -1.64 0.00 0.00 178.16 178.36 2dsm n GLY 26 N 1.43 0.78 0.00 1.82 0.00 -1.25 -5.09 105.19 102.88 2dsm n GLY 26 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 0.00 1.61 2.03 -1.26 -5.03 116.55 113.89 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 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.17 0.00 -4.45 -0.67 2.13 -1.26 -4.94 120.64 111.28 2dsm n GLU 28 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2dsm n GLU 28 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 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 4.07 0.24 6.31 1.01 0.20 -4.90 120.40 127.33 2dsm s VAL 29 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2dsm s VAL 29 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 2dsm s VAL 29 CO 0.00 0.58 -0.16 0.42 0.00 0.00 0.00 175.10 175.94 2dsm s THR 30 N -0.62 2.03 -2.00 3.92 -4.23 -1.26 -3.68 115.64 109.79 2dsm s THR 30 Ca 0.10 -2.28 0.03 0.00 -1.18 0.00 0.00 61.69 58.35 2dsm s THR 30 Cb -0.12 -2.19 0.07 0.00 1.34 0.00 0.00 72.50 71.61 2dsm s THR 30 CO 0.02 -0.49 0.53 -2.65 -0.54 0.00 0.00 174.62 171.49 2dsm n PRO 31 N -0.50 0.11 0.01 3.99 -0.02 -1.26 -0.84 135.00 136.49 2dsm n PRO 31 Ca -0.07 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.52 2dsm n PRO 31 Cb 0.61 -1.36 -0.09 0.00 -0.02 0.00 0.00 33.50 32.63 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 -0.86 0.11 -4.67 -1.45 0.31 -1.26 -4.94 118.33 105.57 2dsm n VAL 32 Ca 0.02 -0.35 -0.33 0.00 -0.01 0.00 0.00 64.34 63.68 2dsm n VAL 32 Cb 0.01 0.21 -0.12 0.00 -0.91 0.00 0.00 33.84 33.03 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 -4.17 4.35 0.21 4.52 2.15 -0.02 -5.10 116.67 118.60 2dsm s ASP 33 Ca -0.01 -0.16 -0.30 0.00 0.43 0.00 0.00 52.55 52.51 2dsm s ASP 33 Cb 0.14 -0.98 -0.08 0.00 -0.30 0.00 0.00 42.92 41.70 2dsm s ASP 33 CO 0.86 0.32 0.94 -1.81 -0.17 0.00 0.00 175.17 175.31 2dsm s ASP 34 N -1.02 7.61 0.30 -0.34 1.01 -1.26 -4.70 116.67 118.27 2dsm s ASP 34 Ca 0.14 1.90 -0.06 0.00 0.71 0.00 0.00 52.55 55.24 2dsm s ASP 34 Cb -0.11 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.22 2dsm s ASP 34 CO 0.03 0.11 0.45 -0.72 0.21 0.00 0.00 175.17 175.26 2dsm s TYR 35 N -0.93 0.83 -0.01 4.23 1.13 -1.26 -2.36 117.35 118.99 2dsm s TYR 35 Ca 0.42 -1.12 0.02 0.00 -1.41 0.00 0.00 57.07 54.99 2dsm s TYR 35 Cb -0.25 -0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.58 2dsm s TYR 35 CO 0.31 -1.05 -0.07 0.08 -2.51 0.00 0.00 175.55 172.31 2dsm s VAL 36 N -3.44 0.56 -0.27 -3.49 1.01 -0.00 -4.84 120.40 109.93 2dsm s VAL 36 Ca 0.28 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 2dsm s VAL 36 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2dsm s VAL 36 CO 0.16 0.16 0.13 -0.63 0.00 0.00 0.00 175.10 174.92 2dsm s ILE 37 N -0.13 4.75 -0.76 2.22 1.01 -1.26 -0.98 121.20 126.05 2dsm s ILE 37 Ca 0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 2dsm s ILE 37 Cb -0.03 -3.25 0.20 0.00 0.01 0.00 0.00 42.46 39.38 2dsm s ILE 37 CO -0.00 0.29 0.66 -0.62 0.00 0.00 0.00 174.94 175.26 2dsm s ASP 38 N 1.68 6.17 0.00 3.58 2.15 -0.71 -4.71 116.67 124.82 2dsm s ASP 38 Ca 0.07 -2.83 0.00 0.00 0.43 0.00 0.00 52.55 50.22 2dsm s ASP 38 Cb -0.16 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2dsm s ASP 38 CO 0.07 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 2dsm n GLY 39 N 3.68 1.94 0.00 2.66 0.00 -1.26 -3.40 105.19 108.80 2dsm n GLY 39 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.05 3.93 -0.02 0.00 -1.26 -4.44 105.19 103.46 2dsm n GLY 40 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.96 -0.12 1.61 0.41 -1.22 -5.08 118.70 117.25 2dsm s GLU 41 Ca 0.00 -0.24 0.02 0.00 -0.41 0.00 0.00 54.97 54.33 2dsm s GLU 41 Cb 0.00 -2.40 -0.01 0.00 -1.78 0.00 0.00 34.13 29.94 2dsm s GLU 41 CO 0.00 -0.52 -0.18 0.42 -0.49 0.00 0.00 175.26 174.49 2dsm s ILE 42 N -2.80 2.59 -0.09 -1.63 1.01 -1.26 -1.74 121.20 117.28 2dsm s ILE 42 Ca 0.52 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2dsm s ILE 42 Cb -0.10 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.33 2dsm s ILE 42 CO 0.42 0.54 -0.08 -0.63 0.00 0.00 0.00 174.94 175.19 2dsm s ILE 43 N 0.42 0.95 0.41 2.92 1.09 -0.15 -0.25 121.20 126.58 2dsm s ILE 43 Ca -0.13 -0.29 -0.27 0.00 -1.10 0.00 0.00 60.65 58.86 2dsm s ILE 43 Cb -0.17 -0.95 -0.10 0.00 -1.06 0.00 0.00 42.46 40.19 2dsm s ILE 43 CO 0.06 0.34 1.46 -0.22 -0.10 0.00 0.00 174.94 176.48 2dsm s LEU 44 N 1.37 4.22 0.46 2.97 0.20 -1.26 -0.82 118.68 125.81 2dsm s LEU 44 Ca -0.02 3.00 0.26 0.00 0.69 0.00 0.00 54.13 58.06 2dsm s LEU 44 Cb -0.14 -3.79 1.42 0.00 -0.43 0.00 0.00 46.19 43.25 2dsm s LEU 44 CO -0.04 -1.03 1.78 0.03 -0.29 0.00 0.00 176.35 176.80 2dsm h ARG 45 N 2.67 0.00 0.04 1.98 2.47 -1.79 0.23 114.38 119.98 2dsm h ARG 45 Ca -0.51 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 57.99 2dsm h ARG 45 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 2dsm h ARG 45 CO 0.63 0.00 -1.00 1.49 0.56 0.00 0.00 179.97 181.65 2dsm h GLU 46 N 0.00 0.22 -0.01 0.04 4.57 -1.89 -3.28 114.58 114.24 2dsm h GLU 46 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2dsm h GLU 46 Cb 0.28 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2dsm h GLU 46 CO 0.00 1.05 -0.43 0.09 -1.18 0.00 0.00 179.01 178.54 2dsm n ASN 47 N -3.60 1.49 0.24 1.04 3.02 0.46 -4.44 115.26 113.47 2dsm n ASN 47 Ca -0.05 -1.25 0.10 0.00 -0.03 0.00 0.00 54.58 53.35 2dsm n ASN 47 Cb 0.89 0.58 0.58 0.00 -0.61 0.00 0.00 39.78 41.21 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 1.50 0.00 -2.00 3.41 7.12 -0.75 -2.36 115.31 122.22 2dsm h LEU 48 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2dsm h LEU 48 Cb 0.53 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.66 2dsm h LEU 48 CO 0.00 0.20 0.01 1.05 -0.13 0.00 0.00 178.44 179.57 2dsm h GLU 49 N 0.00 0.01 0.09 1.25 -0.00 -1.78 -1.57 114.58 112.58 2dsm h GLU 49 Ca -0.00 -0.00 -0.28 0.00 -0.00 0.00 0.00 59.36 59.08 2dsm h GLU 49 Cb 0.50 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.23 2dsm h GLU 49 CO 0.03 0.00 -1.35 -0.09 -0.00 0.00 0.00 179.01 177.60 2dsm h ARG 50 N 0.01 0.18 -0.27 1.06 2.43 -1.76 -2.09 114.38 113.94 2dsm h ARG 50 Ca 0.00 -0.31 -0.13 0.00 -0.81 0.00 0.00 59.98 58.73 2dsm h ARG 50 Cb 0.01 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2dsm h ARG 50 CO -0.00 1.07 -0.38 -0.92 -1.51 0.00 0.00 179.97 178.23 2dsm h TYR 51 N 0.05 0.72 -0.03 2.20 3.20 -1.35 0.20 116.97 121.97 2dsm h TYR 51 Ca -0.17 -0.20 -0.20 0.00 3.14 0.00 0.00 58.73 61.30 2dsm h TYR 51 Cb 1.95 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 40.06 2dsm h TYR 51 CO 0.04 0.90 -0.84 -0.07 -1.64 0.00 0.00 178.16 176.56 2dsm h LEU 52 N 0.51 0.43 0.54 2.82 3.38 -1.43 0.24 115.31 121.80 2dsm h LEU 52 Ca 0.05 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2dsm h LEU 52 Cb 0.89 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2dsm h LEU 52 CO 0.08 1.09 -0.27 -0.09 0.09 0.00 0.00 178.44 179.34 2dsm h ARG 53 N 0.21 -0.71 0.08 1.13 2.43 -0.83 -3.29 114.38 113.41 2dsm h ARG 53 Ca -0.05 0.05 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 2dsm h ARG 53 Cb 1.44 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 31.12 2dsm h ARG 53 CO 0.14 -0.47 -2.12 0.39 -1.51 0.00 0.00 179.97 176.40 2dsm n GLU 54 N -5.41 0.72 -0.01 0.20 1.02 0.66 -4.81 120.64 113.01 2dsm n GLU 54 Ca -0.12 0.23 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 2dsm n GLU 54 Cb 0.31 -1.66 -0.00 0.00 -0.02 0.00 0.00 31.44 30.06 2dsm n GLU 54 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2dsm n GLN 55 N -3.38 0.08 -3.44 3.49 -0.06 0.35 -4.92 117.38 109.50 2dsm n GLN 55 Ca -0.35 0.10 -0.21 0.00 -2.00 0.00 0.00 57.00 54.55 2dsm n GLN 55 Cb 1.04 -0.71 -0.04 0.00 -4.06 0.00 0.00 30.24 26.46 2dsm n GLN 55 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2dsm n LEU 56 N -2.77 -0.40 -0.00 1.69 0.00 0.58 -4.76 117.00 111.34 2dsm n LEU 56 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 56.01 55.65 2dsm n LEU 56 Cb 0.07 -1.26 -0.02 0.00 0.00 0.00 0.00 43.42 42.21 2dsm n LEU 56 CO 0.03 0.05 -0.53 0.61 0.00 0.00 0.00 177.39 177.55 2dsm n GLY 57 N -0.76 -0.12 7.00 -3.96 0.00 -1.26 -5.07 105.19 101.01 2dsm n GLY 57 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.59 -0.36 -3.66 1.61 3.72 -1.26 -4.13 117.46 111.79 2dsm n PHE 58 Ca -0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 2dsm n PHE 58 Cb 0.08 0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 38.64 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 2.35 -0.23 -1.08 2.56 -1.26 -4.72 118.70 116.32 2dsm s GLU 59 Ca 0.00 -1.68 -0.21 0.00 0.00 0.00 0.00 54.97 53.08 2dsm s GLU 59 Cb 0.00 -3.74 -0.02 0.00 2.00 0.00 0.00 34.13 32.37 2dsm s GLU 59 CO 0.00 -1.06 0.68 -0.06 -0.56 0.00 0.00 175.26 174.25 2dsm s PHE 60 N 1.30 3.32 0.10 5.30 0.08 -1.26 -5.05 117.98 121.77 2dsm s PHE 60 Ca 0.05 0.93 0.10 0.00 0.12 0.00 0.00 56.93 58.14 2dsm s PHE 60 Cb -0.24 -2.87 -0.04 0.00 -0.57 0.00 0.00 43.02 39.30 2dsm s PHE 60 CO -0.01 -0.29 -0.27 0.15 -0.10 0.00 0.00 175.22 174.70 2dsm s LYS 61 N 2.36 1.54 0.03 0.44 -0.14 -1.26 -5.14 119.74 117.58 2dsm s LYS 61 Ca 0.29 -1.27 0.02 0.00 -1.36 0.00 0.00 55.97 53.65 2dsm s LYS 61 Cb -0.16 -1.93 -0.02 0.00 -1.68 0.00 0.00 37.83 34.05 2dsm s LYS 61 CO 0.09 0.47 -0.07 -0.80 -0.76 0.00 0.00 175.35 174.28 2dsm s ASN 62 N -1.78 0.74 -1.17 2.83 0.02 -1.26 -5.05 114.94 109.27 2dsm s ASN 62 Ca 0.13 -0.46 -0.20 0.00 -1.02 0.00 0.00 52.86 51.32 2dsm s ASN 62 Cb -0.10 0.02 -0.04 0.00 0.02 0.00 0.00 41.25 41.16 2dsm s ASN 62 CO 0.05 -0.16 1.94 0.00 0.02 0.00 0.00 177.10 178.94 2dsm n ALA 63 N 1.77 3.38 -2.15 0.60 0.00 -1.26 -4.83 120.51 118.01 2dsm n ALA 63 Ca -0.21 -3.49 -0.42 0.00 0.00 0.00 0.00 53.44 49.32 2dsm n ALA 63 Cb 0.55 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.44 2dsm n ALA 63 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2dsm n GLN 64 N 7.58 3.16 -3.14 0.00 -0.06 -1.26 -4.91 117.38 118.75 2dsm n GLN 64 Ca 0.49 -3.07 -0.43 0.00 -2.00 0.00 0.00 57.00 51.98 2dsm n GLN 64 Cb 0.43 -3.21 -0.07 0.00 -4.06 0.00 0.00 30.24 23.33 2dsm n GLN 64 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2dsm s LEU 65 N 1.91 4.60 -0.68 1.69 2.96 -1.26 -4.99 118.68 122.90 2dsm s LEU 65 Ca 0.46 -0.45 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 2dsm s LEU 65 Cb 0.10 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 2dsm s LEU 65 CO -0.03 -0.77 1.90 -1.61 -1.32 0.00 0.00 176.35 174.52 2dsm s GLU 66 N 2.72 2.58 -1.02 1.98 0.41 -1.26 -4.89 118.70 119.23 2dsm s GLU 66 Ca 0.20 0.41 -0.11 0.00 -0.41 0.00 0.00 54.97 55.06 2dsm s GLU 66 Cb -0.15 -4.56 0.25 0.00 -1.78 0.00 0.00 34.13 27.89 2dsm s GLU 66 CO 0.17 -2.92 1.00 -1.58 -0.49 0.00 0.00 175.26 171.44 2dsm s HIS 67 N 9.46 4.07 -0.56 1.61 5.65 -1.26 -5.00 115.29 129.27 2dsm s HIS 67 Ca 0.69 -2.42 -0.16 0.00 0.25 0.00 0.00 55.06 53.42 2dsm s HIS 67 Cb -0.11 -3.85 0.13 0.00 -1.18 0.00 0.00 32.58 27.57 2dsm s HIS 67 CO 0.15 -0.98 0.51 -1.01 -0.65 0.00 0.00 174.74 172.76 2dsm s HIS 68 N -0.65 3.28 0.00 3.88 3.76 -1.26 -4.74 115.29 119.56 2dsm s HIS 68 Ca 0.27 -1.34 0.00 0.00 -0.15 0.00 0.00 55.06 53.84 2dsm s HIS 68 Cb -0.10 -3.80 0.00 0.00 1.11 0.00 0.00 32.58 29.80 2dsm s HIS 68 CO -0.08 -1.02 0.00 1.58 -0.85 0.00 0.00 174.74 174.37 2dsm n HIS 69 N 5.17 0.00 -2.38 1.40 -0.00 -1.26 -5.03 115.22 113.12 2dsm n HIS 69 Ca -0.12 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.63 2dsm n HIS 69 Cb 0.40 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.25 2dsm n HIS 69 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2dsm s HIS 70 N -0.68 2.73 0.14 1.57 3.76 -1.26 -4.89 115.29 116.67 2dsm s HIS 70 Ca 0.00 0.91 0.18 0.00 -0.15 0.00 0.00 55.06 56.00 2dsm s HIS 70 Cb 0.00 -3.60 0.62 0.00 1.11 0.00 0.00 32.58 30.71 2dsm s HIS 70 CO 0.00 -1.92 1.70 1.25 -0.85 0.00 0.00 174.74 174.92 2dsm h HIS 71 N 8.50 0.00 0.00 1.40 2.76 -2.03 -3.55 115.15 122.23 2dsm h HIS 71 Ca -0.28 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 2dsm h HIS 71 Cb 1.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.07 2dsm h HIS 71 CO 0.82 0.39 0.00 0.72 -1.30 0.00 0.00 177.93 178.56