#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 1.54 -0.65 1.12 -7.23 -1.26 -5.09 120.40 108.82 2dsm s VAL 2 Ca 0.00 -2.13 -0.23 0.00 -1.81 0.00 0.00 61.98 57.80 2dsm s VAL 2 Cb 0.00 -2.27 0.06 0.00 0.56 0.00 0.00 36.38 34.73 2dsm s VAL 2 CO 0.00 -0.42 1.00 -1.61 -0.31 0.00 0.00 175.10 173.76 2dsm s GLU 3 N -3.73 3.15 -0.16 4.82 2.02 -1.26 -5.00 118.70 118.54 2dsm s GLU 3 Ca 0.26 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.60 2dsm s GLU 3 Cb 0.03 -4.20 0.01 0.00 0.10 0.00 0.00 34.13 30.07 2dsm s GLU 3 CO 0.09 -1.81 -0.19 0.54 0.02 0.00 0.00 175.26 173.91 2dsm s ASN 4 N 3.56 3.30 -0.06 -0.19 2.20 -1.26 -4.95 114.94 117.55 2dsm s ASN 4 Ca 0.25 -0.58 0.16 0.00 -0.94 0.00 0.00 52.86 51.75 2dsm s ASN 4 Cb -0.15 -1.50 0.56 0.00 -2.00 0.00 0.00 41.25 38.16 2dsm s ASN 4 CO 0.12 0.05 1.45 -0.81 -2.94 0.00 0.00 177.10 174.97 2dsm n PRO 5 N 4.31 2.92 -2.73 3.55 -0.04 -1.26 -4.84 135.00 136.92 2dsm n PRO 5 Ca -0.20 -2.24 -0.43 0.00 -0.04 0.00 0.00 63.50 60.58 2dsm n PRO 5 Cb 0.51 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2dsm n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2dsm n MET 6 N 0.99 3.44 0.00 0.54 2.81 -1.26 -4.53 117.12 119.11 2dsm n MET 6 Ca 0.20 -3.72 0.14 0.00 -1.81 0.00 0.00 57.70 52.52 2dsm n MET 6 Cb 0.66 -3.02 0.57 0.00 -0.71 0.00 0.00 33.22 30.72 2dsm n MET 6 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2dsm n VAL 7 N 4.24 0.00 -3.24 2.03 3.14 -1.26 -4.82 118.33 118.42 2dsm n VAL 7 Ca 0.38 -0.10 -0.39 0.00 -2.96 0.00 0.00 64.34 61.27 2dsm n VAL 7 Cb 0.41 0.08 -0.07 0.00 -1.06 0.00 0.00 33.84 33.20 2dsm n VAL 7 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2dsm s ILE 8 N -2.36 5.10 -0.49 1.55 1.01 -1.26 -4.52 121.20 120.23 2dsm s ILE 8 Ca 0.31 0.95 -0.13 0.00 0.00 0.00 0.00 60.65 61.78 2dsm s ILE 8 Cb 0.20 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.85 2dsm s ILE 8 CO 0.45 0.16 0.62 0.59 0.00 0.00 0.00 174.94 176.76 2dsm n ASN 9 N 4.88 -7.90 -4.83 3.58 5.03 -1.26 -4.99 115.26 109.77 2dsm n ASN 9 Ca -0.05 0.41 -0.38 0.00 0.87 0.00 0.00 54.58 55.44 2dsm n ASN 9 Cb 0.50 -5.36 -0.06 0.00 -1.02 0.00 0.00 39.78 33.84 2dsm n ASN 9 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2dsm s ASN 10 N -2.68 6.78 0.33 6.41 0.02 -1.26 -4.95 114.94 119.59 2dsm s ASN 10 Ca 0.20 0.93 0.00 0.00 -1.02 0.00 0.00 52.86 52.96 2dsm s ASN 10 Cb -0.06 -2.24 0.00 0.00 0.02 0.00 0.00 41.25 38.97 2dsm s ASN 10 CO 0.76 0.31 0.00 0.79 0.02 0.00 0.00 177.10 178.98 2dsm n TRP 11 N 1.94 -2.26 0.11 2.20 8.01 -1.26 -5.06 117.44 121.12 2dsm n TRP 11 Ca -0.14 1.22 0.00 0.00 -1.31 0.00 0.00 57.50 57.27 2dsm n TRP 11 Cb 0.52 -2.05 0.00 0.00 -2.01 0.00 0.00 31.31 27.77 2dsm n TRP 11 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.69 174.29 2dsm n HIS 12 N -3.47 -3.33 -0.25 -5.99 1.44 -1.26 -4.96 115.22 97.39 2dsm n HIS 12 Ca -0.04 0.77 0.03 0.00 -2.01 0.00 0.00 57.72 56.47 2dsm n HIS 12 Cb 0.40 2.12 0.07 0.00 0.12 0.00 0.00 29.99 32.71 2dsm n HIS 12 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2dsm n ASP 13 N -2.96 2.40 -0.86 4.39 5.75 -1.26 -4.58 116.55 119.43 2dsm n ASP 13 Ca 0.00 -2.21 0.04 0.00 -0.01 0.00 0.00 54.79 52.61 2dsm n ASP 13 Cb 0.00 -0.15 0.22 0.00 -1.03 0.00 0.00 41.12 40.16 2dsm n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2dsm n LYS 14 N -0.37 2.27 -3.94 0.11 5.02 -1.26 -4.96 118.16 115.03 2dsm n LYS 14 Ca 0.06 -2.94 -0.19 0.00 -2.02 0.00 0.00 58.31 53.23 2dsm n LYS 14 Cb 0.39 -1.78 -0.17 0.00 -0.02 0.00 0.00 35.03 33.45 2dsm n LYS 14 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2dsm s LEU 15 N -3.00 1.04 0.00 -0.35 0.20 -1.26 -5.12 118.68 110.20 2dsm s LEU 15 Ca 0.41 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 55.19 2dsm s LEU 15 Cb 0.36 -0.31 -0.00 0.00 -0.43 0.00 0.00 46.19 45.81 2dsm s LEU 15 CO 0.04 -0.12 0.04 1.07 -0.29 0.00 0.00 176.35 177.10 2dsm n THR 16 N 4.36 0.00 -3.78 3.68 5.66 -1.26 -5.04 114.28 117.91 2dsm n THR 16 Ca -0.21 -0.64 -0.13 0.00 -3.05 0.00 0.00 64.05 60.02 2dsm n THR 16 Cb 0.50 0.22 -0.12 0.00 -1.55 0.00 0.00 70.33 69.39 2dsm n THR 16 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2dsm s GLU 17 N -2.42 0.30 0.00 1.09 -1.05 -1.26 -4.95 118.70 110.40 2dsm s GLU 17 Ca 0.05 0.37 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 2dsm s GLU 17 Cb 0.00 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 2dsm s GLU 17 CO 0.04 -0.05 0.00 2.41 0.95 0.00 0.00 175.26 178.61 2dsm n THR 18 N 3.04 0.00 1.52 1.83 -1.04 -1.26 -4.61 114.28 113.76 2dsm n THR 18 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2dsm n THR 18 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 2dsm n THR 18 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2dsm n ASP 19 N 1.60 0.51 -4.57 8.00 5.75 -1.26 -4.76 116.55 121.82 2dsm n ASP 19 Ca 0.00 -2.01 -0.41 0.00 -0.01 0.00 0.00 54.79 52.36 2dsm n ASP 19 Cb 0.00 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 39.83 2dsm n ASP 19 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2dsm s VAL 20 N -1.55 3.74 0.12 2.12 1.01 -1.26 -4.99 120.40 119.59 2dsm s VAL 20 Ca 0.01 0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.62 2dsm s VAL 20 Cb 0.00 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2dsm s VAL 20 CO 0.00 -1.26 0.09 0.00 0.00 0.00 0.00 175.10 173.94 2dsm s GLN 21 N 5.66 2.85 0.12 2.72 1.03 -1.26 -5.03 119.66 125.75 2dsm s GLN 21 Ca 0.51 -0.78 0.10 0.00 0.04 0.00 0.00 55.36 55.23 2dsm s GLN 21 Cb -0.10 -2.67 -0.04 0.00 0.03 0.00 0.00 33.01 30.22 2dsm s GLN 21 CO 0.23 0.53 -0.24 0.42 -2.54 0.00 0.00 175.29 173.69 2dsm s ILE 22 N -1.53 2.42 0.00 3.63 1.01 -1.26 -1.70 121.20 123.77 2dsm s ILE 22 Ca 0.30 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 59.30 2dsm s ILE 22 Cb -0.11 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.28 2dsm s ILE 22 CO 0.22 0.12 0.00 -0.90 0.00 0.00 0.00 174.94 174.38 2dsm n ASP 23 N 0.97 0.00 0.17 3.58 5.75 -1.26 -4.69 116.55 121.07 2dsm n ASP 23 Ca -0.17 -0.30 0.05 0.00 -0.01 0.00 0.00 54.79 54.36 2dsm n ASP 23 Cb 0.53 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.83 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 -0.24 0.00 -0.13 2.11 3.57 0.07 -3.09 116.94 119.24 2dsm h PHE 24 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2dsm h PHE 24 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2dsm h PHE 24 CO 0.00 0.40 -0.41 -0.92 -2.23 0.00 0.00 178.31 175.15 2dsm h TYR 25 N 0.00 0.35 -0.23 0.41 3.20 -1.93 -3.47 116.97 115.28 2dsm h TYR 25 Ca -0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2dsm h TYR 25 Cb 1.10 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2dsm h TYR 25 CO 0.00 0.66 0.00 0.41 -1.64 0.00 0.00 178.16 177.59 2dsm n GLY 26 N -0.16 0.99 0.00 1.82 0.00 -1.17 -5.03 105.19 101.65 2dsm n GLY 26 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.11 0.00 0.00 1.61 2.03 -1.26 -5.02 116.55 115.03 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 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -1.31 0.00 -4.09 -0.67 2.13 -1.26 -4.95 120.64 110.49 2dsm n GLU 28 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2dsm n GLU 28 Cb 0.00 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.55 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 -0.79 2.07 0.29 6.31 1.01 -0.69 -4.83 120.40 123.77 2dsm s VAL 29 Ca 0.00 -1.20 0.07 0.00 0.00 0.00 0.00 61.98 60.84 2dsm s VAL 29 Cb 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2dsm s VAL 29 CO 0.00 0.30 0.28 0.42 0.00 0.00 0.00 175.10 176.10 2dsm s THR 30 N 1.23 4.15 -1.84 3.92 -4.23 -1.26 -4.17 115.64 113.43 2dsm s THR 30 Ca -0.01 -1.30 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 2dsm s THR 30 Cb -0.16 -3.37 0.12 0.00 1.34 0.00 0.00 72.50 70.43 2dsm s THR 30 CO -0.10 -0.26 0.82 -0.81 -0.54 0.00 0.00 174.62 173.73 2dsm n PRO 31 N -1.33 0.12 0.00 3.99 -0.04 -1.26 -0.89 135.00 135.60 2dsm n PRO 31 Ca -0.05 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2dsm n PRO 31 Cb 0.59 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 2dsm n PRO 31 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2dsm n VAL 32 N -1.08 0.00 -3.60 0.52 0.24 -1.26 -4.96 118.33 108.19 2dsm n VAL 32 Ca 0.03 -0.36 -0.03 0.00 -2.04 0.00 0.00 64.34 61.95 2dsm n VAL 32 Cb 0.02 1.34 -0.00 0.00 -1.47 0.00 0.00 33.84 33.73 2dsm n VAL 32 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2dsm n ASP 33 N 0.55 1.29 -4.11 -1.34 -0.08 -0.07 -5.14 116.55 107.65 2dsm n ASP 33 Ca 0.11 -1.19 -0.25 0.00 -1.51 0.00 0.00 54.79 51.95 2dsm n ASP 33 Cb 0.52 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.82 2dsm n ASP 33 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dsm s ASP 34 N -1.31 2.03 0.15 1.67 -1.08 -1.26 -4.92 116.67 111.95 2dsm s ASP 34 Ca 0.03 -0.33 -0.19 0.00 -0.52 0.00 0.00 52.55 51.54 2dsm s ASP 34 Cb -0.00 -0.59 0.05 0.00 -1.46 0.00 0.00 42.92 40.91 2dsm s ASP 34 CO 0.02 0.13 0.50 -0.72 0.52 0.00 0.00 175.17 175.62 2dsm s TYR 35 N 0.11 -0.31 0.02 -5.34 1.13 -1.26 -0.78 117.35 110.91 2dsm s TYR 35 Ca -0.05 0.03 0.01 0.00 -1.41 0.00 0.00 57.07 55.65 2dsm s TYR 35 Cb -0.12 0.40 -0.01 0.00 -1.10 0.00 0.00 41.96 41.14 2dsm s TYR 35 CO 0.02 -0.81 -0.05 0.08 -2.51 0.00 0.00 175.55 172.29 2dsm s VAL 36 N -3.80 0.34 -0.21 -3.49 1.01 -0.30 -4.84 120.40 109.11 2dsm s VAL 36 Ca 0.04 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2dsm s VAL 36 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 2dsm s VAL 36 CO -0.10 -0.16 0.06 -0.63 0.00 0.00 0.00 175.10 174.27 2dsm s ILE 37 N -0.71 4.43 -0.92 2.22 1.01 -1.26 -0.97 121.20 125.01 2dsm s ILE 37 Ca -0.05 -0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 2dsm s ILE 37 Cb -0.05 -3.03 0.21 0.00 0.01 0.00 0.00 42.46 39.59 2dsm s ILE 37 CO -0.00 0.40 0.94 -0.62 0.00 0.00 0.00 174.94 175.66 2dsm s ASP 38 N 1.03 6.84 0.00 3.58 2.15 0.30 -4.61 116.67 125.95 2dsm s ASP 38 Ca 0.04 -2.70 0.00 0.00 0.43 0.00 0.00 52.55 50.32 2dsm s ASP 38 Cb -0.14 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2dsm s ASP 38 CO 0.03 -0.65 0.00 0.61 -0.17 0.00 0.00 175.17 174.99 2dsm n GLY 39 N 4.14 2.90 0.00 2.66 0.00 -1.26 -2.77 105.19 110.86 2dsm n GLY 39 Ca 0.19 0.00 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 -1.56 0.73 3.68 -0.02 0.00 -1.26 -4.40 105.19 102.36 2dsm n GLY 40 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 4.34 0.25 1.61 8.01 -1.12 -5.03 118.70 126.76 2dsm s GLU 41 Ca 0.00 1.26 -0.25 0.00 0.01 0.00 0.00 54.97 56.00 2dsm s GLU 41 Cb 0.00 -3.57 -0.09 0.00 -4.31 0.00 0.00 34.13 26.16 2dsm s GLU 41 CO 0.00 -0.39 0.84 0.42 0.01 0.00 0.00 175.26 176.14 2dsm s ILE 42 N 2.33 4.33 -0.03 -1.63 1.01 -1.26 -0.54 121.20 125.40 2dsm s ILE 42 Ca 0.44 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.78 2dsm s ILE 42 Cb -0.17 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.28 2dsm s ILE 42 CO 0.13 0.30 -0.03 -0.63 0.00 0.00 0.00 174.94 174.71 2dsm s ILE 43 N -1.43 0.33 0.48 2.92 1.09 -0.14 0.82 121.20 125.27 2dsm s ILE 43 Ca 0.44 -0.06 -0.24 0.00 -1.10 0.00 0.00 60.65 59.69 2dsm s ILE 43 Cb -0.20 -0.37 -0.07 0.00 -1.06 0.00 0.00 42.46 40.76 2dsm s ILE 43 CO 0.25 0.16 1.42 -0.22 -0.10 0.00 0.00 174.94 176.45 2dsm s LEU 44 N 0.66 4.05 0.65 2.97 2.96 -1.26 -1.15 118.68 127.56 2dsm s LEU 44 Ca -0.07 2.91 0.39 0.00 -0.22 0.00 0.00 54.13 57.14 2dsm s LEU 44 Cb -0.11 -4.01 2.14 0.00 0.50 0.00 0.00 46.19 44.71 2dsm s LEU 44 CO -0.01 -1.29 2.20 0.03 -1.32 0.00 0.00 176.35 175.96 2dsm h ARG 45 N 2.11 0.00 -0.00 1.98 2.47 -1.28 0.22 114.38 119.87 2dsm h ARG 45 Ca -0.51 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.01 2dsm h ARG 45 Cb 1.28 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.59 2dsm h ARG 45 CO 0.60 0.00 -0.88 0.93 0.56 0.00 0.00 179.97 181.18 2dsm h GLU 46 N 0.00 0.27 -0.02 0.04 4.39 -1.89 -3.27 114.58 114.10 2dsm h GLU 46 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2dsm h GLU 46 Cb 0.19 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2dsm h GLU 46 CO 0.00 0.99 0.00 0.09 -1.16 0.00 0.00 179.01 178.93 2dsm n ASN 47 N -3.70 1.85 0.20 1.42 4.13 -0.49 -4.71 115.26 113.96 2dsm n ASN 47 Ca -0.04 -1.43 -0.15 0.00 1.68 0.00 0.00 54.58 54.64 2dsm n ASN 47 Cb 0.80 -0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.97 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 1.97 -0.90 -1.51 3.41 5.85 -0.68 -0.83 115.31 122.62 2dsm h LEU 48 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2dsm h LEU 48 Cb 0.42 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2dsm h LEU 48 CO 0.00 -0.46 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.16 2dsm h GLU 49 N -0.67 0.00 -0.09 1.25 5.08 -1.84 0.33 114.58 118.64 2dsm h GLU 49 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2dsm h GLU 49 Cb 0.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 2dsm h GLU 49 CO -0.08 0.15 -0.61 -0.09 -1.00 0.00 0.00 179.01 177.38 2dsm h ARG 50 N 0.00 0.57 -0.44 2.33 1.12 -1.79 -1.59 114.38 114.58 2dsm h ARG 50 Ca -0.00 -0.49 -0.06 0.00 -1.11 0.00 0.00 59.98 58.31 2dsm h ARG 50 Cb 0.55 0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.60 2dsm h ARG 50 CO 0.02 1.12 0.01 -0.92 -3.11 0.00 0.00 179.97 177.09 2dsm h TYR 51 N 0.19 0.74 -0.23 2.20 3.20 0.01 -1.75 116.97 121.32 2dsm h TYR 51 Ca -0.05 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.66 2dsm h TYR 51 Cb 1.26 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2dsm h TYR 51 CO 0.11 0.69 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.08 2dsm h LEU 52 N 0.66 0.39 -1.22 2.82 3.38 -0.37 0.35 115.31 121.33 2dsm h LEU 52 Ca 0.14 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2dsm h LEU 52 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2dsm h LEU 52 CO 0.01 0.58 -0.37 -0.09 0.09 0.00 0.00 178.44 178.66 2dsm h ARG 53 N 0.37 0.00 0.00 1.13 2.43 -0.55 -2.18 114.38 115.58 2dsm h ARG 53 Ca 0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2dsm h ARG 53 Cb 0.51 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2dsm h ARG 53 CO 0.03 0.37 -0.03 0.93 -1.51 0.00 0.00 179.97 179.76 2dsm h GLU 54 N 0.00 0.00 0.00 0.20 4.39 -0.47 -3.45 114.58 115.24 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 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2dsm h GLU 54 CO 0.05 0.23 -0.18 0.94 -1.16 0.00 0.00 179.01 178.89 2dsm n GLN 55 N -4.73 0.09 -4.05 2.33 7.27 0.12 -4.99 117.38 113.42 2dsm n GLN 55 Ca -0.03 0.04 -0.30 0.00 0.07 0.00 0.00 57.00 56.78 2dsm n GLN 55 Cb 0.12 -0.61 -0.02 0.00 2.41 0.00 0.00 30.24 32.14 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 -2.88 -2.07 -0.06 1.69 0.00 -0.82 -4.90 117.00 107.97 2dsm n LEU 56 Ca -0.02 -0.99 -0.07 0.00 0.00 0.00 0.00 56.01 54.93 2dsm n LEU 56 Cb 0.09 -2.21 -0.08 0.00 0.00 0.00 0.00 43.42 41.23 2dsm n LEU 56 CO 0.04 0.38 -0.89 0.61 0.00 0.00 0.00 177.39 177.53 2dsm n GLY 57 N -1.74 -0.41 7.00 -3.96 0.00 -1.26 -5.11 105.19 99.71 2dsm n GLY 57 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.59 -1.50 -3.60 1.61 3.72 -1.26 -4.48 117.46 109.36 2dsm n PHE 58 Ca -0.20 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.80 2dsm n PHE 58 Cb 0.82 0.22 -0.09 0.00 -0.94 0.00 0.00 39.48 39.49 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 2.47 -0.34 -1.08 2.56 -1.26 -4.70 118.70 116.35 2dsm s GLU 59 Ca 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 54.97 53.23 2dsm s GLU 59 Cb 0.00 -3.83 0.02 0.00 2.00 0.00 0.00 34.13 32.32 2dsm s GLU 59 CO 0.00 -1.09 0.14 -0.06 -0.56 0.00 0.00 175.26 173.69 2dsm s PHE 60 N 1.36 3.21 0.55 5.30 0.40 -1.26 -5.03 117.98 122.51 2dsm s PHE 60 Ca 0.05 -1.03 0.09 0.00 -0.60 0.00 0.00 56.93 55.44 2dsm s PHE 60 Cb -0.25 -2.34 0.07 0.00 0.51 0.00 0.00 43.02 41.01 2dsm s PHE 60 CO -0.00 -0.62 0.70 0.15 0.70 0.00 0.00 175.22 176.15 2dsm s LYS 61 N 1.51 2.35 -0.28 0.44 -0.14 -1.26 -5.14 119.74 117.23 2dsm s LYS 61 Ca 0.02 -1.66 -0.22 0.00 -1.36 0.00 0.00 55.97 52.75 2dsm s LYS 61 Cb -0.18 -2.57 0.09 0.00 -1.68 0.00 0.00 37.83 33.49 2dsm s LYS 61 CO 0.05 -0.75 0.80 1.21 -0.76 0.00 0.00 175.35 175.89 2dsm s ASN 62 N -4.56 -0.72 -1.18 2.83 3.04 -1.26 -5.05 114.94 108.03 2dsm s ASN 62 Ca 0.57 1.30 -0.11 0.00 0.04 0.00 0.00 52.86 54.66 2dsm s ASN 62 Cb -0.05 1.31 -0.07 0.00 -1.54 0.00 0.00 41.25 40.90 2dsm s ASN 62 CO 0.35 -0.22 2.36 0.00 -3.04 0.00 0.00 177.10 176.56 2dsm n ALA 63 N 3.12 5.48 -0.96 1.71 0.00 -1.26 -4.63 120.51 123.98 2dsm n ALA 63 Ca -0.16 -2.91 -0.15 0.00 0.00 0.00 0.00 53.44 50.22 2dsm n ALA 63 Cb 0.56 -3.28 -0.01 0.00 0.00 0.00 0.00 19.45 16.72 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 4.69 1.80 -2.61 0.00 7.27 -1.26 -4.87 117.38 122.40 2dsm n GLN 64 Ca 0.57 -1.37 -0.41 0.00 0.07 0.00 0.00 57.00 55.85 2dsm n GLN 64 Cb 0.24 -1.65 -0.03 0.00 2.41 0.00 0.00 30.24 31.20 2dsm n GLN 64 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2dsm s LEU 65 N -1.35 3.71 -0.57 1.69 2.96 -1.26 -4.95 118.68 118.91 2dsm s LEU 65 Ca 0.35 -1.49 -0.22 0.00 -0.22 0.00 0.00 54.13 52.55 2dsm s LEU 65 Cb 0.24 -2.54 0.06 0.00 0.50 0.00 0.00 46.19 44.44 2dsm s LEU 65 CO -0.05 -1.46 0.86 -1.83 -1.32 0.00 0.00 176.35 172.55 2dsm s GLU 66 N 4.69 3.21 0.01 1.98 4.04 -1.26 -5.02 118.70 126.34 2dsm s GLU 66 Ca 0.43 -0.61 -0.30 0.00 0.04 0.00 0.00 54.97 54.53 2dsm s GLU 66 Cb -0.01 -4.12 -0.03 0.00 0.02 0.00 0.00 34.13 29.98 2dsm s GLU 66 CO -0.09 -1.52 1.02 -1.58 -1.84 0.00 0.00 175.26 171.26 2dsm s HIS 67 N 3.62 3.61 -0.99 4.83 2.46 -1.26 -4.96 115.29 122.60 2dsm s HIS 67 Ca 0.24 1.62 -0.23 0.00 0.47 0.00 0.00 55.06 57.16 2dsm s HIS 67 Cb -0.16 -3.18 0.06 0.00 -0.13 0.00 0.00 32.58 29.17 2dsm s HIS 67 CO 0.14 -0.25 1.41 -1.01 -2.47 0.00 0.00 174.74 172.56 2dsm s HIS 68 N 1.07 2.57 -0.16 3.88 3.76 -1.26 -4.95 115.29 120.20 2dsm s HIS 68 Ca 0.53 -0.84 -0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2dsm s HIS 68 Cb -0.22 -4.65 -0.00 0.00 1.11 0.00 0.00 32.58 28.81 2dsm s HIS 68 CO 0.28 -1.91 -0.14 -1.58 -0.85 0.00 0.00 174.74 170.55 2dsm s HIS 69 N 4.81 2.81 0.09 1.40 2.46 -1.26 -5.12 115.29 120.48 2dsm s HIS 69 Ca 0.44 -0.97 0.05 0.00 0.47 0.00 0.00 55.06 55.05 2dsm s HIS 69 Cb -0.01 -1.91 -0.04 0.00 -0.13 0.00 0.00 32.58 30.49 2dsm s HIS 69 CO -0.08 -0.44 -0.03 -1.01 -2.47 0.00 0.00 174.74 170.71 2dsm s HIS 70 N 0.81 2.92 -0.08 3.88 3.76 -1.26 -5.12 115.29 120.21 2dsm s HIS 70 Ca -0.05 -0.06 0.05 0.00 -0.15 0.00 0.00 55.06 54.85 2dsm s HIS 70 Cb -0.15 -1.51 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 2dsm s HIS 70 CO 0.00 0.46 -0.23 -3.38 -0.85 0.00 0.00 174.74 170.75 2dsm s HIS 71 N -1.28 2.32 -2.34 1.40 -3.43 -1.26 -5.34 115.29 105.37 2dsm s HIS 71 Ca 0.24 -0.83 0.29 0.00 -0.80 0.00 0.00 55.06 53.97 2dsm s HIS 71 Cb -0.12 -1.55 1.33 0.00 -1.43 0.00 0.00 32.58 30.82 2dsm s HIS 71 CO 0.17 -0.31 1.90 -2.39 -2.00 0.00 0.00 174.74 172.11