#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 2.29 0.38 1.12 -7.23 -1.26 -5.04 120.40 110.67 2dsm s VAL 2 Ca 0.00 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2dsm s VAL 2 Cb 0.00 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2dsm s VAL 2 CO 0.00 0.52 0.00 1.21 -0.31 0.00 0.00 175.10 176.52 2dsm n GLU 3 N 2.22 -2.50 -2.67 4.82 2.13 -1.26 -4.88 120.64 118.50 2dsm n GLU 3 Ca -0.16 1.96 -0.39 0.00 0.66 0.00 0.00 57.16 59.23 2dsm n GLU 3 Cb 0.51 -2.51 -0.05 0.00 0.27 0.00 0.00 31.44 29.66 2dsm n GLU 3 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2dsm s ASN 4 N -4.82 7.36 -1.33 4.31 -0.87 -1.26 -4.95 114.94 113.39 2dsm s ASN 4 Ca 0.00 2.01 -0.09 0.00 -1.57 0.00 0.00 52.86 53.21 2dsm s ASN 4 Cb 0.00 -2.60 -0.08 0.00 -0.02 0.00 0.00 41.25 38.55 2dsm s ASN 4 CO 0.00 -0.05 2.96 -0.81 -2.57 0.00 0.00 177.10 176.63 2dsm n PRO 5 N 0.97 3.58 -2.12 -0.60 -0.04 -1.26 -4.94 135.00 130.60 2dsm n PRO 5 Ca 0.00 -2.24 -0.41 0.00 -0.04 0.00 0.00 63.50 60.81 2dsm n PRO 5 Cb 0.48 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 2dsm n PRO 5 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2dsm s MET 6 N 1.38 4.33 -0.04 0.54 -1.94 -1.26 -4.91 119.30 117.39 2dsm s MET 6 Ca 0.67 2.17 0.09 0.00 -1.71 0.00 0.00 55.69 56.91 2dsm s MET 6 Cb 0.21 -3.16 0.22 0.00 2.01 0.00 0.00 34.83 34.10 2dsm s MET 6 CO -0.06 -0.35 1.16 1.33 -0.01 0.00 0.00 175.02 177.10 2dsm n VAL 7 N 2.62 1.30 0.30 -6.03 0.24 -1.26 -4.56 118.33 110.93 2dsm n VAL 7 Ca 0.07 -1.30 0.19 0.00 -2.04 0.00 0.00 64.34 61.25 2dsm n VAL 7 Cb 0.41 0.29 0.83 0.00 -1.47 0.00 0.00 33.84 33.91 2dsm n VAL 7 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2dsm h ILE 8 N 0.93 0.00 -2.22 1.34 2.10 -1.87 -2.99 117.51 114.80 2dsm h ILE 8 Ca 0.00 -0.34 -0.57 0.00 1.08 0.00 0.00 64.86 65.02 2dsm h ILE 8 Cb 0.78 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 2dsm h ILE 8 CO 0.03 0.00 1.37 0.21 -1.08 0.00 0.00 178.15 178.69 2dsm s ASN 9 N -5.45 5.83 -0.92 2.19 3.84 -1.26 -0.48 114.94 118.69 2dsm s ASN 9 Ca -0.01 2.03 -0.01 0.00 0.21 0.00 0.00 52.86 55.09 2dsm s ASN 9 Cb 0.10 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 2dsm s ASN 9 CO 0.49 -1.64 0.11 -3.20 -2.79 0.00 0.00 177.10 170.07 2dsm n ASN 10 N 10.20 -3.76 0.00 -4.21 4.05 -1.26 -4.29 115.26 115.98 2dsm n ASN 10 Ca 0.26 -0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.23 2dsm n ASN 10 Cb 0.44 -2.88 0.00 0.00 1.23 0.00 0.00 39.78 38.57 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 -3.98 0.00 0.00 1.20 8.01 0.36 -3.89 117.44 119.14 2dsm n TRP 11 Ca -0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.08 2dsm n TRP 11 Cb 0.59 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.89 2dsm n TRP 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 2dsm n HIS 12 N 0.00 -0.10 -3.28 -5.99 8.25 -1.13 -3.89 115.22 109.08 2dsm n HIS 12 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 2dsm n HIS 12 Cb 0.00 0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2dsm n HIS 12 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2dsm s ASP 13 N 0.16 -0.15 0.00 0.41 -4.77 -1.25 -4.78 116.67 106.28 2dsm s ASP 13 Ca 0.00 -0.80 0.00 0.00 -3.30 0.00 0.00 52.55 48.45 2dsm s ASP 13 Cb 0.00 1.29 0.00 0.00 -1.09 0.00 0.00 42.92 43.12 2dsm s ASP 13 CO 0.00 -0.27 0.00 0.29 0.70 0.00 0.00 175.17 175.89 2dsm n LYS 14 N 4.75 0.00 -4.37 2.11 4.76 -1.26 -4.76 118.16 119.39 2dsm n LYS 14 Ca 0.07 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.32 2dsm n LYS 14 Cb 0.51 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.60 2dsm n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dsm s LEU 15 N 0.00 2.53 -0.36 -0.35 1.02 -1.26 -4.99 118.68 115.27 2dsm s LEU 15 Ca 0.00 -1.07 -0.19 0.00 0.02 0.00 0.00 54.13 52.90 2dsm s LEU 15 Cb 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 46.19 45.55 2dsm s LEU 15 CO 0.00 -0.22 0.54 0.42 0.02 0.00 0.00 176.35 177.12 2dsm s THR 16 N -2.98 4.98 0.08 5.49 -4.23 -1.26 -4.66 115.64 113.06 2dsm s THR 16 Ca 0.24 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 2dsm s THR 16 Cb 0.00 -4.00 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 2dsm s THR 16 CO 0.08 -0.27 -0.06 -0.70 -0.54 0.00 0.00 174.62 173.13 2dsm s GLU 17 N 2.47 0.76 0.00 3.99 -6.30 -1.26 -4.88 118.70 113.48 2dsm s GLU 17 Ca 0.20 -1.25 0.00 0.00 -2.50 0.00 0.00 54.97 51.42 2dsm s GLU 17 Cb -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 34.13 33.84 2dsm s GLU 17 CO 0.14 -0.03 0.00 2.41 0.02 0.00 0.00 175.26 177.80 2dsm n THR 18 N 0.16 0.00 -2.42 -1.70 -1.04 -1.26 -4.80 114.28 103.21 2dsm n THR 18 Ca -0.14 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.49 2dsm n THR 18 Cb 0.60 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.09 2dsm n THR 18 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dsm s ASP 19 N 0.00 6.22 0.05 8.00 2.15 -1.26 -4.92 116.67 126.91 2dsm s ASP 19 Ca 0.00 -1.78 0.08 0.00 0.43 0.00 0.00 52.55 51.28 2dsm s ASP 19 Cb 0.00 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 2dsm s ASP 19 CO 0.00 -1.79 -0.23 -0.69 -0.17 0.00 0.00 175.17 172.28 2dsm s VAL 20 N 6.32 1.89 -0.01 1.11 1.01 -1.26 -5.06 120.40 124.41 2dsm s VAL 20 Ca 0.56 -1.31 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2dsm s VAL 20 Cb 0.01 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2dsm s VAL 20 CO 0.02 0.27 -0.08 0.00 0.00 0.00 0.00 175.10 175.31 2dsm s GLN 21 N -1.25 0.65 0.14 2.72 -2.07 -1.26 -5.10 119.66 113.49 2dsm s GLN 21 Ca 0.10 -0.28 0.08 0.00 -1.82 0.00 0.00 55.36 53.43 2dsm s GLN 21 Cb -0.09 -0.63 -0.04 0.00 -1.09 0.00 0.00 33.01 31.16 2dsm s GLN 21 CO 0.02 0.17 -0.08 0.42 -1.32 0.00 0.00 175.29 174.51 2dsm s ILE 22 N -0.18 3.42 0.97 3.63 1.01 -1.26 -1.37 121.20 127.42 2dsm s ILE 22 Ca 0.03 -1.39 -0.15 0.00 0.00 0.00 0.00 60.65 59.13 2dsm s ILE 22 Cb -0.03 -2.65 0.22 0.00 0.01 0.00 0.00 42.46 40.01 2dsm s ILE 22 CO -0.00 0.01 1.33 1.51 0.00 0.00 0.00 174.94 177.78 2dsm s ASP 23 N -2.52 2.92 0.34 3.58 -4.77 -1.02 -4.80 116.67 110.41 2dsm s ASP 23 Ca 0.24 0.08 0.05 0.00 -3.30 0.00 0.00 52.55 49.62 2dsm s ASP 23 Cb -0.10 -0.05 0.71 0.00 -1.09 0.00 0.00 42.92 42.39 2dsm s ASP 23 CO 0.15 -2.84 1.92 0.15 0.70 0.00 0.00 175.17 175.25 2dsm h PHE 24 N -1.67 0.86 -0.15 2.11 3.57 0.28 -2.86 116.94 119.08 2dsm h PHE 24 Ca -0.43 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.01 2dsm h PHE 24 Cb 1.22 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 2dsm h PHE 24 CO -1.38 0.41 -0.24 -0.92 -2.23 0.00 0.00 178.31 173.95 2dsm h TYR 25 N 0.81 0.54 0.00 0.41 3.20 -1.93 -3.47 116.97 116.53 2dsm h TYR 25 Ca 0.38 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2dsm h TYR 25 Cb 0.39 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2dsm h TYR 25 CO -0.00 0.86 0.00 0.41 -1.64 0.00 0.00 178.16 177.79 2dsm n GLY 26 N 0.34 1.45 3.77 1.82 0.00 -1.08 -5.12 105.19 106.37 2dsm n GLY 26 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.70 6.33 0.01 1.61 -1.08 -1.26 -4.90 116.67 115.68 2dsm s ASP 27 Ca 0.00 0.38 -0.30 0.00 -0.52 0.00 0.00 52.55 52.10 2dsm s ASP 27 Cb 0.00 -2.11 -0.06 0.00 -1.46 0.00 0.00 42.92 39.28 2dsm s ASP 27 CO 0.00 0.22 1.52 -0.70 0.52 0.00 0.00 175.17 176.73 2dsm s GLU 28 N 0.03 4.24 -0.37 4.34 2.12 -1.26 -2.42 118.70 125.37 2dsm s GLU 28 Ca 0.12 2.12 -0.07 0.00 0.36 0.00 0.00 54.97 57.49 2dsm s GLU 28 Cb -0.12 -3.64 0.06 0.00 0.26 0.00 0.00 34.13 30.69 2dsm s GLU 28 CO 0.01 -0.67 0.17 0.08 -0.54 0.00 0.00 175.26 174.31 2dsm s VAL 29 N 2.74 3.94 0.45 3.70 1.01 -0.47 -4.94 120.40 126.83 2dsm s VAL 29 Ca 0.68 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2dsm s VAL 29 Cb -0.34 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2dsm s VAL 29 CO 0.29 -0.34 0.64 0.42 0.00 0.00 0.00 175.10 176.11 2dsm s THR 30 N 1.40 3.36 0.23 3.92 -4.23 -1.26 -4.19 115.64 114.86 2dsm s THR 30 Ca 0.01 -0.76 0.19 0.00 -1.18 0.00 0.00 61.69 59.95 2dsm s THR 30 Cb -0.21 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.61 2dsm s THR 30 CO 0.02 -0.12 1.52 -0.65 -0.54 0.00 0.00 174.62 174.85 2dsm h PRO 31 N 0.44 0.00 -0.18 3.99 0.11 -1.97 0.13 132.00 134.51 2dsm h PRO 31 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2dsm h PRO 31 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2dsm h PRO 31 CO 0.52 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.64 2dsm n VAL 32 N -2.35 0.22 -4.06 3.15 0.24 -1.26 -4.91 118.33 109.37 2dsm n VAL 32 Ca -0.01 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 2dsm n VAL 32 Cb 0.33 0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 33.44 2dsm n VAL 32 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2dsm s ASP 33 N -1.70 5.49 -0.26 -1.34 1.01 0.46 -5.09 116.67 115.24 2dsm s ASP 33 Ca 0.34 -0.03 -0.16 0.00 0.71 0.00 0.00 52.55 53.41 2dsm s ASP 33 Cb 0.20 -1.46 -0.04 0.00 1.01 0.00 0.00 42.92 42.64 2dsm s ASP 33 CO 0.30 0.16 0.41 -1.81 0.21 0.00 0.00 175.17 174.44 2dsm s ASP 34 N -2.45 6.31 0.09 0.27 1.01 -1.26 -4.86 116.67 115.78 2dsm s ASP 34 Ca 0.29 0.37 -0.04 0.00 0.71 0.00 0.00 52.55 53.88 2dsm s ASP 34 Cb -0.12 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 2dsm s ASP 34 CO 0.22 -0.19 0.08 -0.72 0.21 0.00 0.00 175.17 174.77 2dsm s TYR 35 N 2.02 0.49 -0.03 4.23 1.13 -1.26 -2.31 117.35 121.62 2dsm s TYR 35 Ca 0.17 -0.95 0.02 0.00 -1.41 0.00 0.00 57.07 54.90 2dsm s TYR 35 Cb -0.16 -0.29 0.01 0.00 -1.10 0.00 0.00 41.96 40.42 2dsm s TYR 35 CO 0.09 -0.49 -0.09 0.08 -2.51 0.00 0.00 175.55 172.63 2dsm s VAL 36 N -3.94 0.81 -0.25 -3.49 1.01 -0.64 -4.90 120.40 109.00 2dsm s VAL 36 Ca 0.11 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 2dsm s VAL 36 Cb 0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2dsm s VAL 36 CO -0.07 0.26 0.35 -0.63 0.00 0.00 0.00 175.10 175.01 2dsm s ILE 37 N 0.27 5.20 -1.02 2.22 1.01 -1.26 -2.10 121.20 125.52 2dsm s ILE 37 Ca -0.05 0.55 -0.17 0.00 0.00 0.00 0.00 60.65 60.99 2dsm s ILE 37 Cb -0.10 -3.68 0.15 0.00 0.01 0.00 0.00 42.46 38.84 2dsm s ILE 37 CO 0.01 0.20 1.21 -0.62 0.00 0.00 0.00 174.94 175.74 2dsm s ASP 38 N 1.46 6.79 0.00 3.58 2.15 0.56 -4.55 116.67 126.65 2dsm s ASP 38 Ca 0.15 -2.40 0.00 0.00 0.43 0.00 0.00 52.55 50.73 2dsm s ASP 38 Cb -0.15 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2dsm s ASP 38 CO 0.09 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.77 2dsm n GLY 39 N 4.94 0.94 0.00 2.66 0.00 -1.26 -2.82 105.19 109.65 2dsm n GLY 39 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 3.74 -0.02 0.00 -1.26 -4.56 105.19 103.09 2dsm n GLY 40 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.26 4.66 -0.00 1.61 0.41 -1.13 -5.04 118.70 118.95 2dsm s GLU 41 Ca 0.00 1.33 -0.22 0.00 -0.41 0.00 0.00 54.97 55.67 2dsm s GLU 41 Cb 0.00 -3.35 -0.05 0.00 -1.78 0.00 0.00 34.13 28.95 2dsm s GLU 41 CO 0.00 0.32 0.65 0.42 -0.49 0.00 0.00 175.26 176.15 2dsm s ILE 42 N -0.33 4.88 -0.01 -1.63 1.01 -1.26 -0.32 121.20 123.54 2dsm s ILE 42 Ca 0.43 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.43 2dsm s ILE 42 Cb -0.23 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2dsm s ILE 42 CO 0.28 0.39 -0.00 -0.63 0.00 0.00 0.00 174.94 174.97 2dsm s ILE 43 N -0.04 0.10 0.45 2.92 1.09 -0.89 0.99 121.20 125.82 2dsm s ILE 43 Ca 0.33 0.03 -0.24 0.00 -1.10 0.00 0.00 60.65 59.68 2dsm s ILE 43 Cb -0.19 -0.15 -0.07 0.00 -1.06 0.00 0.00 42.46 40.99 2dsm s ILE 43 CO 0.19 0.08 1.23 -0.22 -0.10 0.00 0.00 174.94 176.11 2dsm s LEU 44 N 0.48 4.06 0.00 2.97 2.96 -1.26 -1.62 118.68 126.27 2dsm s LEU 44 Ca -0.04 2.48 0.08 0.00 -0.22 0.00 0.00 54.13 56.43 2dsm s LEU 44 Cb -0.07 -4.14 0.42 0.00 0.50 0.00 0.00 46.19 42.91 2dsm s LEU 44 CO -0.01 -0.99 1.15 0.54 -1.32 0.00 0.00 176.35 175.72 2dsm n ARG 45 N -0.36 0.11 0.06 1.98 1.74 -0.98 -0.55 116.66 118.66 2dsm n ARG 45 Ca 0.07 0.22 -0.03 0.00 -0.77 0.00 0.00 57.85 57.33 2dsm n ARG 45 Cb 0.46 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 2dsm n ARG 45 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2dsm h GLU 46 N 0.00 -0.22 0.00 5.56 4.81 -1.90 -3.35 114.58 119.49 2dsm h GLU 46 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2dsm h GLU 46 Cb 0.08 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2dsm h GLU 46 CO 0.00 -0.14 0.00 0.09 -0.73 0.00 0.00 179.01 178.23 2dsm n ASN 47 N -4.04 0.74 -0.30 1.04 4.13 -0.94 -2.92 115.26 112.98 2dsm n ASN 47 Ca -0.03 0.64 0.08 0.00 1.68 0.00 0.00 54.58 56.95 2dsm n ASN 47 Cb 0.09 -0.82 0.23 0.00 -1.54 0.00 0.00 39.78 37.74 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 0.50 -0.58 3.41 5.85 -0.95 -0.90 115.31 122.64 2dsm h LEU 48 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2dsm h LEU 48 Cb 0.49 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2dsm h LEU 48 CO 0.00 0.19 0.37 -0.33 -0.34 0.00 0.00 178.44 178.34 2dsm h GLU 49 N 0.60 0.76 -0.25 1.25 5.08 -1.68 0.23 114.58 120.57 2dsm h GLU 49 Ca 0.47 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.62 2dsm h GLU 49 Cb 0.70 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2dsm h GLU 49 CO -0.38 0.52 -0.47 -0.09 -1.00 0.00 0.00 179.01 177.58 2dsm h ARG 50 N 0.78 0.76 -0.40 2.33 9.65 -1.61 -1.99 114.38 123.90 2dsm h ARG 50 Ca 0.21 -0.49 -0.06 0.00 -1.10 0.00 0.00 59.98 58.55 2dsm h ARG 50 Cb -0.07 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2dsm h ARG 50 CO -0.04 1.11 0.02 -0.92 2.80 0.00 0.00 179.97 182.94 2dsm h TYR 51 N 0.50 0.74 0.00 2.20 3.20 -0.84 -1.73 116.97 121.05 2dsm h TYR 51 Ca 0.01 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 2dsm h TYR 51 Cb 1.08 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 2dsm h TYR 51 CO 0.08 0.75 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.10 2dsm h LEU 52 N 0.52 0.00 -0.11 2.82 3.38 -0.57 0.37 115.31 121.71 2dsm h LEU 52 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2dsm h LEU 52 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dsm h LEU 52 CO 0.02 0.18 -0.15 -0.09 0.09 0.00 0.00 178.44 178.49 2dsm h ARG 53 N 0.00 0.29 0.14 1.13 2.43 -0.95 -2.55 114.38 114.88 2dsm h ARG 53 Ca -0.00 -0.17 -0.29 0.00 -0.81 0.00 0.00 59.98 58.70 2dsm h ARG 53 Cb 0.71 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2dsm h ARG 53 CO 0.02 0.73 -1.37 0.93 -1.51 0.00 0.00 179.97 178.77 2dsm h GLU 54 N -0.12 0.30 0.00 0.20 3.07 -1.10 -3.42 114.58 113.51 2dsm h GLU 54 Ca 0.01 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 2dsm h GLU 54 Cb 0.70 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 2dsm h GLU 54 CO 0.03 1.22 -0.22 0.94 -1.40 0.00 0.00 179.01 179.58 2dsm n GLN 55 N -3.53 0.13 -4.32 2.33 -0.06 0.13 -4.95 117.38 107.10 2dsm n GLN 55 Ca -0.12 0.12 -0.38 0.00 -2.00 0.00 0.00 57.00 54.62 2dsm n GLN 55 Cb 1.04 -0.79 -0.05 0.00 -4.06 0.00 0.00 30.24 26.38 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 -2.95 -1.41 -0.03 1.69 0.00 -0.96 -4.84 117.00 108.50 2dsm n LEU 56 Ca -0.03 -1.10 0.01 0.00 0.00 0.00 0.00 56.01 54.89 2dsm n LEU 56 Cb 0.11 -1.91 -0.10 0.00 0.00 0.00 0.00 43.42 41.52 2dsm n LEU 56 CO 0.05 0.25 -0.75 0.61 0.00 0.00 0.00 177.39 177.55 2dsm n GLY 57 N -1.38 -0.58 7.00 -3.96 0.00 -1.26 -5.08 105.19 99.92 2dsm n GLY 57 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.15 -0.16 -3.80 1.61 3.72 -1.26 -3.69 117.46 111.73 2dsm n PHE 58 Ca -0.09 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.95 2dsm n PHE 58 Cb 0.56 0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 39.08 2dsm n PHE 58 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2dsm s GLU 59 N 0.00 2.03 -0.54 -1.08 2.02 -1.26 -4.51 118.70 115.36 2dsm s GLU 59 Ca 0.00 -1.74 -0.19 0.00 0.02 0.00 0.00 54.97 53.05 2dsm s GLU 59 Cb 0.00 -3.51 0.07 0.00 0.10 0.00 0.00 34.13 30.79 2dsm s GLU 59 CO 0.00 -1.00 0.68 -0.06 0.02 0.00 0.00 175.26 174.90 2dsm s PHE 60 N 1.15 3.00 -0.32 1.61 0.08 -1.24 -5.02 117.98 117.23 2dsm s PHE 60 Ca 0.07 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.49 2dsm s PHE 60 Cb -0.22 -3.75 0.08 0.00 -0.57 0.00 0.00 43.02 38.55 2dsm s PHE 60 CO -0.04 -1.16 0.02 0.15 -0.10 0.00 0.00 175.22 174.09 2dsm s LYS 61 N 2.80 2.02 0.68 0.44 1.02 -1.26 -5.09 119.74 120.35 2dsm s LYS 61 Ca 0.15 -1.57 -0.11 0.00 0.02 0.00 0.00 55.97 54.47 2dsm s LYS 61 Cb -0.20 -3.18 -0.00 0.00 -0.52 0.00 0.00 37.83 33.93 2dsm s LYS 61 CO 0.10 -0.78 1.05 1.21 -0.92 0.00 0.00 175.35 176.02 2dsm s ASN 62 N 1.20 5.54 0.08 2.83 3.84 -1.26 -4.99 114.94 122.18 2dsm s ASN 62 Ca 0.01 1.56 -0.36 0.00 0.21 0.00 0.00 52.86 54.28 2dsm s ASN 62 Cb -0.20 -2.47 -0.18 0.00 -0.55 0.00 0.00 41.25 37.85 2dsm s ASN 62 CO -0.05 -1.33 1.57 0.00 -2.79 0.00 0.00 177.10 174.50 2dsm h ALA 63 N -0.64 -1.18 0.00 1.71 0.00 -1.99 -3.44 119.26 113.72 2dsm h ALA 63 Ca -0.44 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2dsm h ALA 63 Cb 1.21 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2dsm h ALA 63 CO 0.58 -1.19 0.00 0.94 0.00 0.00 0.00 179.25 179.58 2dsm n GLN 64 N -5.59 0.00 -4.08 0.00 -0.06 -1.26 -5.16 117.38 101.23 2dsm n GLN 64 Ca -0.13 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.57 2dsm n GLN 64 Cb 0.48 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.59 2dsm n GLN 64 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2dsm s LEU 65 N 0.00 3.65 0.00 1.69 1.43 -1.26 -4.99 118.68 119.20 2dsm s LEU 65 Ca 0.00 -0.09 0.17 0.00 -1.03 0.00 0.00 54.13 53.18 2dsm s LEU 65 Cb 0.00 -2.36 0.56 0.00 0.03 0.00 0.00 46.19 44.42 2dsm s LEU 65 CO 0.00 0.17 1.42 -1.84 0.23 0.00 0.00 176.35 176.34 2dsm n GLU 66 N 0.49 1.79 -3.08 1.70 0.28 -1.26 -4.67 120.64 115.89 2dsm n GLU 66 Ca -0.09 -1.20 -0.45 0.00 -0.16 0.00 0.00 57.16 55.25 2dsm n GLU 66 Cb 0.52 -1.35 -0.03 0.00 1.43 0.00 0.00 31.44 32.01 2dsm n GLU 66 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2dsm s HIS 67 N -1.67 3.23 0.13 -1.84 3.76 -1.26 -5.03 115.29 112.61 2dsm s HIS 67 Ca 0.29 -1.37 -0.29 0.00 -0.15 0.00 0.00 55.06 53.53 2dsm s HIS 67 Cb 0.15 -4.08 -0.06 0.00 1.11 0.00 0.00 32.58 29.70 2dsm s HIS 67 CO 0.22 -1.31 0.94 -1.01 -0.85 0.00 0.00 174.74 172.73 2dsm s HIS 68 N 2.11 3.84 -1.33 1.40 3.76 -1.26 -4.96 115.29 118.85 2dsm s HIS 68 Ca 0.22 1.79 -0.12 0.00 -0.15 0.00 0.00 55.06 56.80 2dsm s HIS 68 Cb -0.13 -3.02 0.13 0.00 1.11 0.00 0.00 32.58 30.67 2dsm s HIS 68 CO -0.04 0.26 1.94 0.72 -0.85 0.00 0.00 174.74 176.77 2dsm n HIS 69 N 2.56 3.37 -3.36 1.40 8.25 -1.26 -4.80 115.22 121.38 2dsm n HIS 69 Ca 0.01 -2.90 -0.10 0.00 -0.26 0.00 0.00 57.72 54.47 2dsm n HIS 69 Cb 0.49 -2.18 -0.08 0.00 1.12 0.00 0.00 29.99 29.33 2dsm n HIS 69 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dsm s HIS 70 N 1.50 -0.78 -2.19 4.41 3.76 -1.26 -4.94 115.29 115.79 2dsm s HIS 70 Ca 0.43 0.64 0.23 0.00 -0.15 0.00 0.00 55.06 56.21 2dsm s HIS 70 Cb 0.10 -0.07 0.14 0.00 1.11 0.00 0.00 32.58 33.85 2dsm s HIS 70 CO -0.02 -0.76 1.19 1.58 -0.85 0.00 0.00 174.74 175.88 2dsm n HIS 71 N 5.36 0.00 -1.42 1.40 -0.00 -1.26 -5.25 115.22 114.04 2dsm n HIS 71 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 2dsm n HIS 71 Cb 0.50 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2dsm n HIS 71 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41