#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 2.68 0.09 1.12 -7.23 -1.26 -5.13 120.40 110.67 2dsm s VAL 2 Ca 0.00 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2dsm s VAL 2 Cb 0.00 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2dsm s VAL 2 CO 0.00 0.58 0.20 -1.61 -0.31 0.00 0.00 175.10 173.96 2dsm s GLU 3 N -0.54 3.30 0.34 4.82 2.02 -1.26 -5.02 118.70 122.37 2dsm s GLU 3 Ca 0.07 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.51 2dsm s GLU 3 Cb -0.11 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.18 2dsm s GLU 3 CO 0.01 0.57 0.00 0.09 0.02 0.00 0.00 175.26 175.95 2dsm n ASN 4 N 0.07 -5.46 -4.64 -0.19 3.02 -1.26 -4.62 115.26 102.18 2dsm n ASN 4 Ca -0.06 0.76 -0.42 0.00 -0.03 0.00 0.00 54.58 54.82 2dsm n ASN 4 Cb 0.52 -3.09 -0.03 0.00 -0.61 0.00 0.00 39.78 36.57 2dsm n ASN 4 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2dsm n PRO 5 N -3.63 2.59 -1.66 3.52 -0.04 -1.26 -4.87 135.00 129.65 2dsm n PRO 5 Ca -0.04 0.89 -0.51 0.00 -0.04 0.00 0.00 63.50 63.81 2dsm n PRO 5 Cb 0.44 -3.08 -0.05 0.00 -0.04 0.00 0.00 33.50 30.76 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 7.93 1.64 -1.85 0.54 2.81 -1.26 -4.93 117.12 122.01 2dsm n MET 6 Ca 0.23 0.60 -0.32 0.00 -1.81 0.00 0.00 57.70 56.40 2dsm n MET 6 Cb 0.42 -2.33 0.03 0.00 -0.71 0.00 0.00 33.22 30.63 2dsm n MET 6 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2dsm s VAL 7 N 2.04 3.84 0.48 2.03 1.01 -1.26 -5.02 120.40 123.52 2dsm s VAL 7 Ca 0.88 0.76 -0.22 0.00 0.00 0.00 0.00 61.98 63.40 2dsm s VAL 7 Cb -0.85 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 2dsm s VAL 7 CO 0.49 -0.61 1.13 0.27 0.00 0.00 0.00 175.10 176.38 2dsm s ILE 8 N -2.66 3.28 -0.03 2.22 -5.25 -1.26 -4.95 121.20 112.55 2dsm s ILE 8 Ca 0.62 0.89 0.05 0.00 -0.99 0.00 0.00 60.65 61.22 2dsm s ILE 8 Cb -0.16 -3.42 0.07 0.00 2.95 0.00 0.00 42.46 41.91 2dsm s ILE 8 CO 0.44 -0.08 0.91 0.59 -1.79 0.00 0.00 174.94 175.01 2dsm n ASN 9 N -0.72 1.16 -4.36 4.36 3.02 -1.26 -5.00 115.26 112.47 2dsm n ASN 9 Ca 0.08 -2.01 -0.45 0.00 -0.03 0.00 0.00 54.58 52.18 2dsm n ASN 9 Cb 0.50 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.47 2dsm n ASN 9 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2dsm s ASN 10 N -1.20 6.19 0.03 6.41 -0.87 -1.26 -4.94 114.94 119.30 2dsm s ASN 10 Ca 0.08 -1.52 -0.16 0.00 -1.57 0.00 0.00 52.86 49.68 2dsm s ASN 10 Cb 0.07 -2.26 -0.08 0.00 -0.02 0.00 0.00 41.25 38.95 2dsm s ASN 10 CO 0.01 -0.98 1.25 -0.50 -2.57 0.00 0.00 177.10 174.30 2dsm h TRP 11 N 9.05 -0.60 0.00 2.20 4.06 -2.05 -3.46 115.95 125.15 2dsm h TRP 11 Ca -0.29 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.65 2dsm h TRP 11 Cb 1.09 0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.47 2dsm h TRP 11 CO 0.78 -0.32 0.00 0.72 -3.56 0.00 0.00 178.44 176.06 2dsm n HIS 12 N -3.67 -2.55 0.00 0.49 8.25 -1.26 -5.06 115.22 111.42 2dsm n HIS 12 Ca -0.06 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 2dsm n HIS 12 Cb 0.22 1.48 0.00 0.00 1.12 0.00 0.00 29.99 32.81 2dsm n HIS 12 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2dsm n ASP 13 N -3.07 0.00 -0.50 0.41 2.03 -1.26 -0.80 116.55 113.36 2dsm n ASP 13 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2dsm n ASP 13 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2dsm n ASP 13 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2dsm n LYS 14 N 0.00 0.00 -2.73 -0.67 4.81 -1.26 -5.08 118.16 113.23 2dsm n LYS 14 Ca 0.00 -0.88 -0.41 0.00 -0.87 0.00 0.00 58.31 56.15 2dsm n LYS 14 Cb 0.00 -0.44 -0.05 0.00 0.02 0.00 0.00 35.03 34.56 2dsm n LYS 14 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2dsm s LEU 15 N 0.00 4.57 0.00 3.14 2.96 0.02 -5.04 118.68 124.33 2dsm s LEU 15 Ca 0.00 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.79 2dsm s LEU 15 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2dsm s LEU 15 CO -0.00 0.03 0.00 0.35 -1.32 0.00 0.00 176.35 175.41 2dsm n THR 16 N 2.18 0.00 -3.00 3.68 -2.24 -1.26 -4.97 114.28 108.67 2dsm n THR 16 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 2dsm n THR 16 Cb 0.48 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 2dsm n THR 16 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2dsm s GLU 17 N 3.36 3.56 -0.21 -0.78 2.02 -1.26 -4.72 118.70 120.68 2dsm s GLU 17 Ca 0.00 -1.83 -0.17 0.00 0.02 0.00 0.00 54.97 52.99 2dsm s GLU 17 Cb 0.00 -4.79 -0.19 0.00 0.10 0.00 0.00 34.13 29.25 2dsm s GLU 17 CO 0.00 -1.69 0.14 0.25 0.02 0.00 0.00 175.26 173.98 2dsm n THR 18 N 5.26 1.57 -1.86 3.63 -2.24 -1.26 -4.77 114.28 114.61 2dsm n THR 18 Ca 0.20 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2dsm n THR 18 Cb 0.48 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 2dsm n THR 18 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2dsm n ASP 19 N -4.22 0.00 -4.66 3.42 5.75 -1.26 -5.10 116.55 110.48 2dsm n ASP 19 Ca -0.36 -1.36 -0.38 0.00 -0.01 0.00 0.00 54.79 52.68 2dsm n ASP 19 Cb 0.78 -0.07 -0.07 0.00 -1.03 0.00 0.00 41.12 40.73 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 0.00 5.18 0.21 2.12 1.01 -1.26 -4.71 120.40 122.94 2dsm s VAL 20 Ca 0.00 0.75 0.10 0.00 0.00 0.00 0.00 61.98 62.82 2dsm s VAL 20 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2dsm s VAL 20 CO 0.00 0.22 -0.19 0.00 0.00 0.00 0.00 175.10 175.14 2dsm s GLN 21 N 1.47 1.44 0.16 2.72 -2.07 -1.14 -4.83 119.66 117.42 2dsm s GLN 21 Ca 0.20 -1.57 0.11 0.00 -1.82 0.00 0.00 55.36 52.28 2dsm s GLN 21 Cb -0.15 -1.48 -0.04 0.00 -1.09 0.00 0.00 33.01 30.24 2dsm s GLN 21 CO 0.08 0.29 -0.25 0.42 -1.32 0.00 0.00 175.29 174.51 2dsm s ILE 22 N -2.34 2.31 0.00 3.63 1.01 -1.26 0.10 121.20 124.64 2dsm s ILE 22 Ca 0.22 -1.91 0.00 0.00 0.00 0.00 0.00 60.65 58.97 2dsm s ILE 22 Cb -0.05 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2dsm s ILE 22 CO 0.10 -0.02 0.00 -0.90 0.00 0.00 0.00 174.94 174.11 2dsm n ASP 23 N 0.57 0.00 0.23 3.58 5.75 -1.26 -4.68 116.55 120.73 2dsm n ASP 23 Ca -0.15 -0.79 0.10 0.00 -0.01 0.00 0.00 54.79 53.94 2dsm n ASP 23 Cb 0.55 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 41.14 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 -0.37 0.00 0.06 2.11 3.57 -0.23 -3.17 116.94 118.90 2dsm h PHE 24 Ca 0.00 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.18 2dsm h PHE 24 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2dsm h PHE 24 CO 0.00 0.22 -1.78 -0.92 -2.23 0.00 0.00 178.31 173.60 2dsm h TYR 25 N 0.00 0.23 0.00 0.41 3.20 -1.94 -3.49 116.97 115.38 2dsm h TYR 25 Ca -0.00 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 2dsm h TYR 25 Cb 0.67 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2dsm h TYR 25 CO 0.00 1.33 0.00 0.41 -1.64 0.00 0.00 178.16 178.26 2dsm n GLY 26 N 1.72 1.75 0.01 1.82 0.00 -1.20 -4.99 105.19 104.29 2dsm n GLY 26 Ca -0.22 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.03 0.46 -1.05 1.61 -0.08 -1.26 -4.96 116.55 111.29 2dsm n ASP 27 Ca 0.00 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 2dsm n ASP 27 Cb 0.01 0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.62 2dsm n ASP 27 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2dsm n GLU 28 N -1.55 -2.03 -3.90 -0.67 2.13 -1.26 -5.01 120.64 108.35 2dsm n GLU 28 Ca 0.05 1.74 -0.35 0.00 0.66 0.00 0.00 57.16 59.27 2dsm n GLU 28 Cb 0.34 -1.54 -0.14 0.00 0.27 0.00 0.00 31.44 30.37 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 -0.23 3.14 0.38 6.31 1.01 0.11 -4.88 120.40 126.24 2dsm s VAL 29 Ca 0.00 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 60.97 2dsm s VAL 29 Cb 0.00 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2dsm s VAL 29 CO 0.00 0.07 0.44 0.42 0.00 0.00 0.00 175.10 176.03 2dsm s THR 30 N 1.34 3.30 -0.60 3.92 -4.23 -1.26 -2.88 115.64 115.22 2dsm s THR 30 Ca -0.01 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2dsm s THR 30 Cb -0.18 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.58 2dsm s THR 30 CO -0.02 -0.08 1.09 -2.65 -0.54 0.00 0.00 174.62 172.43 2dsm n PRO 31 N -1.62 0.04 -0.05 3.99 -0.02 -1.26 -0.29 135.00 135.78 2dsm n PRO 31 Ca 0.03 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 2dsm n PRO 31 Cb 0.60 -1.72 0.13 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.64 0.13 -4.23 -1.45 0.31 -1.26 -4.94 118.33 105.26 2dsm n VAL 32 Ca -0.00 -0.57 -0.32 0.00 -0.01 0.00 0.00 64.34 63.44 2dsm n VAL 32 Cb 0.11 1.36 -0.08 0.00 -0.91 0.00 0.00 33.84 34.32 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 -1.84 5.17 -0.09 4.52 1.01 0.60 -5.10 116.67 120.94 2dsm s ASP 33 Ca 0.30 -0.03 -0.20 0.00 0.71 0.00 0.00 52.55 53.34 2dsm s ASP 33 Cb 0.21 -1.34 -0.04 0.00 1.01 0.00 0.00 42.92 42.75 2dsm s ASP 33 CO 0.30 0.25 0.56 -0.62 0.21 0.00 0.00 175.17 175.87 2dsm s ASP 34 N -1.76 6.81 0.15 0.27 2.15 -1.26 -4.77 116.67 118.25 2dsm s ASP 34 Ca 0.22 0.96 -0.16 0.00 0.43 0.00 0.00 52.55 54.00 2dsm s ASP 34 Cb -0.12 -2.33 0.03 0.00 -0.30 0.00 0.00 42.92 40.20 2dsm s ASP 34 CO 0.13 -0.02 0.42 -0.72 -0.17 0.00 0.00 175.17 174.81 2dsm s TYR 35 N 0.59 -0.14 0.09 -5.34 1.13 -1.26 -1.12 117.35 111.30 2dsm s TYR 35 Ca 0.30 -0.19 0.07 0.00 -1.41 0.00 0.00 57.07 55.84 2dsm s TYR 35 Cb -0.16 0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 40.94 2dsm s TYR 35 CO 0.13 -0.76 -0.17 0.08 -2.51 0.00 0.00 175.55 172.32 2dsm s VAL 36 N -3.83 1.39 -0.23 -3.49 1.01 0.22 -4.85 120.40 110.61 2dsm s VAL 36 Ca 0.06 -1.44 -0.01 0.00 0.00 0.00 0.00 61.98 60.59 2dsm s VAL 36 Cb 0.01 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.10 2dsm s VAL 36 CO -0.09 -0.17 -0.09 -0.63 0.00 0.00 0.00 175.10 174.13 2dsm s ILE 37 N -1.29 2.77 -0.76 2.22 1.01 -1.26 -0.42 121.20 123.47 2dsm s ILE 37 Ca 0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 2dsm s ILE 37 Cb -0.10 -2.34 0.20 0.00 0.01 0.00 0.00 42.46 40.23 2dsm s ILE 37 CO 0.03 0.30 0.65 -1.81 0.00 0.00 0.00 174.94 174.12 2dsm s ASP 38 N 1.34 6.14 -0.69 3.58 1.11 0.44 -4.68 116.67 123.91 2dsm s ASP 38 Ca 0.02 -2.85 -0.02 0.00 0.18 0.00 0.00 52.55 49.88 2dsm s ASP 38 Cb -0.16 -2.06 0.00 0.00 1.07 0.00 0.00 42.92 41.78 2dsm s ASP 38 CO -0.06 -0.46 0.59 0.61 1.18 0.00 0.00 175.17 177.03 2dsm n GLY 39 N 3.64 0.07 1.50 0.21 0.00 -1.26 -2.74 105.19 106.61 2dsm n GLY 39 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.19 3.22 3.76 -0.02 0.00 -1.26 -5.01 105.19 104.68 2dsm n GLY 40 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.51 4.23 -0.09 1.61 0.41 -1.11 -5.06 118.70 118.19 2dsm s GLU 41 Ca 0.00 0.49 -0.18 0.00 -0.41 0.00 0.00 54.97 54.87 2dsm s GLU 41 Cb 0.00 -3.36 -0.05 0.00 -1.78 0.00 0.00 34.13 28.94 2dsm s GLU 41 CO 0.00 0.34 0.48 0.42 -0.49 0.00 0.00 175.26 176.01 2dsm s ILE 42 N 0.02 5.13 -0.07 -1.63 1.01 -1.26 -0.42 121.20 123.98 2dsm s ILE 42 Ca 0.26 0.97 0.01 0.00 0.00 0.00 0.00 60.65 61.89 2dsm s ILE 42 Cb -0.16 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.52 2dsm s ILE 42 CO 0.12 0.38 -0.08 -0.63 0.00 0.00 0.00 174.94 174.73 2dsm s ILE 43 N 0.25 0.88 0.45 2.92 1.09 0.44 0.57 121.20 127.81 2dsm s ILE 43 Ca 0.26 -0.28 -0.25 0.00 -1.10 0.00 0.00 60.65 59.28 2dsm s ILE 43 Cb -0.16 -0.88 -0.08 0.00 -1.06 0.00 0.00 42.46 40.29 2dsm s ILE 43 CO 0.12 0.32 1.34 -0.22 -0.10 0.00 0.00 174.94 176.39 2dsm s LEU 44 N 1.16 4.11 0.00 2.97 2.96 -1.26 -0.61 118.68 128.00 2dsm s LEU 44 Ca -0.06 2.73 0.04 0.00 -0.22 0.00 0.00 54.13 56.62 2dsm s LEU 44 Cb -0.14 -3.99 0.18 0.00 0.50 0.00 0.00 46.19 42.73 2dsm s LEU 44 CO -0.02 -1.07 0.99 0.54 -1.32 0.00 0.00 176.35 175.48 2dsm n ARG 45 N -0.20 0.04 0.16 1.98 5.12 -0.28 -1.07 116.66 122.40 2dsm n ARG 45 Ca 0.05 0.30 -0.10 0.00 -1.93 0.00 0.00 57.85 56.18 2dsm n ARG 45 Cb 0.43 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.18 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 -0.45 -0.04 5.56 4.39 -1.89 -3.34 114.58 118.81 2dsm h GLU 46 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2dsm h GLU 46 Cb 0.04 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2dsm h GLU 46 CO 0.00 -0.17 0.00 0.09 -1.16 0.00 0.00 179.01 177.77 2dsm n ASN 47 N -5.09 2.35 0.26 1.42 3.02 -0.96 -4.08 115.26 112.17 2dsm n ASN 47 Ca -0.08 -1.78 0.10 0.00 -0.03 0.00 0.00 54.58 52.79 2dsm n ASN 47 Cb 0.25 -0.01 0.68 0.00 -0.61 0.00 0.00 39.78 40.09 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 3.63 0.00 -0.36 3.41 7.12 -1.22 -2.42 115.31 125.47 2dsm h LEU 48 Ca 0.00 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.07 2dsm h LEU 48 Cb 0.77 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.85 2dsm h LEU 48 CO 0.00 0.10 0.06 -0.33 -0.13 0.00 0.00 178.44 178.14 2dsm h GLU 49 N 0.00 0.17 -0.75 1.25 4.39 -1.75 0.55 114.58 118.45 2dsm h GLU 49 Ca -0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2dsm h GLU 49 Cb 0.22 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 2dsm h GLU 49 CO 0.01 0.11 0.41 -0.09 -1.16 0.00 0.00 179.01 178.30 2dsm h ARG 50 N 0.18 1.04 -0.63 2.33 9.65 -1.74 -1.96 114.38 123.25 2dsm h ARG 50 Ca 0.17 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 2dsm h ARG 50 Cb 0.21 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2dsm h ARG 50 CO -0.24 0.78 0.20 -0.92 2.80 0.00 0.00 179.97 182.59 2dsm h TYR 51 N 1.03 0.97 0.00 2.20 5.03 -1.24 -2.02 116.97 122.95 2dsm h TYR 51 Ca 0.26 -0.08 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 2dsm h TYR 51 Cb 0.04 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 2dsm h TYR 51 CO -0.00 0.78 -0.38 -0.07 -1.32 0.00 0.00 178.16 177.17 2dsm h LEU 52 N 0.92 0.00 -0.13 2.82 3.38 -0.46 0.36 115.31 122.20 2dsm h LEU 52 Ca 0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2dsm h LEU 52 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dsm h LEU 52 CO -0.01 0.38 -0.24 -0.09 0.09 0.00 0.00 178.44 178.57 2dsm h ARG 53 N 0.00 0.38 0.02 1.13 2.43 -0.64 -2.56 114.38 115.14 2dsm h ARG 53 Ca -0.00 -0.24 -0.34 0.00 -0.81 0.00 0.00 59.98 58.59 2dsm h ARG 53 Cb 0.86 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.38 2dsm h ARG 53 CO 0.05 0.84 -2.03 0.39 -1.51 0.00 0.00 179.97 177.71 2dsm n GLU 54 N -4.47 0.67 -0.09 0.20 1.02 -1.03 -4.68 120.64 112.26 2dsm n GLU 54 Ca -0.07 0.19 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 2dsm n GLU 54 Cb 0.43 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.13 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 -3.04 0.47 -2.47 3.49 -0.06 0.11 -5.05 117.38 110.84 2dsm n GLN 55 Ca -0.27 0.20 -0.03 0.00 -2.00 0.00 0.00 57.00 54.90 2dsm n GLN 55 Cb 1.08 -1.31 0.01 0.00 -4.06 0.00 0.00 30.24 25.95 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 -4.22 -1.88 0.00 1.69 7.94 -0.45 -4.10 117.00 115.98 2dsm n LEU 56 Ca -0.25 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 2dsm n LEU 56 Cb 0.59 -0.80 0.00 0.00 0.53 0.00 0.00 43.42 43.75 2dsm n LEU 56 CO 0.12 0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 2dsm n GLY 57 N -0.77 2.06 3.65 -3.96 0.00 -1.26 -4.96 105.19 99.95 2dsm n GLY 57 Ca -0.01 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 2dsm n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dsm s PHE 58 N -0.30 2.25 -0.59 1.61 0.08 -1.26 -4.35 117.98 115.41 2dsm s PHE 58 Ca 0.00 0.53 -0.20 0.00 0.12 0.00 0.00 56.93 57.38 2dsm s PHE 58 Cb 0.00 -3.85 0.08 0.00 -0.57 0.00 0.00 43.02 38.69 2dsm s PHE 58 CO 0.00 -2.95 0.79 -2.00 -0.10 0.00 0.00 175.22 170.95 2dsm s GLU 59 N 4.15 3.10 -1.03 0.44 2.56 -1.26 -4.91 118.70 121.75 2dsm s GLU 59 Ca 0.68 -1.02 -0.17 0.00 0.00 0.00 0.00 54.97 54.46 2dsm s GLU 59 Cb -0.27 -4.21 0.15 0.00 2.00 0.00 0.00 34.13 31.80 2dsm s GLU 59 CO 0.26 -1.56 1.24 -0.06 -0.56 0.00 0.00 175.26 174.57 2dsm s PHE 60 N 3.18 3.28 0.81 5.30 0.08 -1.26 -4.99 117.98 124.38 2dsm s PHE 60 Ca 0.17 -1.68 -0.09 0.00 0.12 0.00 0.00 56.93 55.44 2dsm s PHE 60 Cb -0.20 -4.29 0.13 0.00 -0.57 0.00 0.00 43.02 38.09 2dsm s PHE 60 CO 0.09 -1.45 1.13 0.15 -0.10 0.00 0.00 175.22 175.05 2dsm s LYS 61 N 2.22 1.50 0.31 0.44 -0.14 -1.26 -5.12 119.74 117.69 2dsm s LYS 61 Ca 0.36 -0.50 0.03 0.00 -1.36 0.00 0.00 55.97 54.50 2dsm s LYS 61 Cb -0.04 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 34.01 2dsm s LYS 61 CO -0.06 -1.74 0.31 -0.80 -0.76 0.00 0.00 175.35 172.30 2dsm s ASN 62 N -4.71 1.18 0.20 2.83 -0.87 -1.26 -5.03 114.94 107.28 2dsm s ASN 62 Ca 0.67 -1.61 -0.10 0.00 -1.57 0.00 0.00 52.86 50.25 2dsm s ASN 62 Cb -0.07 0.55 0.13 0.00 -0.02 0.00 0.00 41.25 41.85 2dsm s ASN 62 CO 0.48 -1.09 1.80 0.00 -2.57 0.00 0.00 177.10 175.72 2dsm h ALA 63 N 2.21 0.93 -0.79 0.60 0.00 -2.00 -3.45 119.26 116.77 2dsm h ALA 63 Ca -0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2dsm h ALA 63 Cb 1.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2dsm h ALA 63 CO 0.40 0.47 0.00 0.94 0.00 0.00 0.00 179.25 181.06 2dsm n GLN 64 N -4.44 0.00 -2.44 0.00 7.27 -1.26 -4.76 117.38 111.74 2dsm n GLN 64 Ca 0.06 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.97 2dsm n GLN 64 Cb 0.11 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.76 2dsm n GLN 64 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2dsm n LEU 65 N 0.00 -1.52 -0.34 1.69 7.94 -1.26 0.60 117.00 124.12 2dsm n LEU 65 Ca 0.00 0.09 -0.04 0.00 -1.11 0.00 0.00 56.01 54.95 2dsm n LEU 65 Cb 0.00 -2.50 -0.02 0.00 0.53 0.00 0.00 43.42 41.43 2dsm n LEU 65 CO 0.00 -0.16 -0.04 -0.62 -1.11 0.00 0.00 177.39 175.46 2dsm n GLU 66 N -2.92 -1.67 -3.66 1.96 1.02 -1.26 -4.90 120.64 109.21 2dsm n GLU 66 Ca -0.19 0.61 -0.27 0.00 -0.02 0.00 0.00 57.16 57.29 2dsm n GLU 66 Cb 0.64 -4.94 -0.10 0.00 -0.02 0.00 0.00 31.44 27.02 2dsm n GLU 66 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2dsm n HIS 67 N -2.19 3.45 -3.94 -0.32 8.25 0.20 -5.06 115.22 115.61 2dsm n HIS 67 Ca -0.04 -4.24 -0.13 0.00 -0.26 0.00 0.00 57.72 53.05 2dsm n HIS 67 Cb 0.49 -0.59 -0.14 0.00 1.12 0.00 0.00 29.99 30.86 2dsm n HIS 67 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2dsm s HIS 68 N -1.97 0.12 -0.01 4.41 -3.43 -1.25 -4.63 115.29 108.52 2dsm s HIS 68 Ca 0.32 -0.06 0.03 0.00 -0.80 0.00 0.00 55.06 54.56 2dsm s HIS 68 Cb 0.05 -0.08 -0.03 0.00 -1.43 0.00 0.00 32.58 31.09 2dsm s HIS 68 CO -0.09 -0.01 -0.09 -3.38 -2.00 0.00 0.00 174.74 169.16 2dsm s HIS 69 N -0.13 2.82 0.00 0.38 -3.43 -1.26 -5.05 115.29 108.63 2dsm s HIS 69 Ca -0.01 -0.08 -0.04 0.00 -0.80 0.00 0.00 55.06 54.14 2dsm s HIS 69 Cb -0.01 -1.61 -0.02 0.00 -1.43 0.00 0.00 32.58 29.51 2dsm s HIS 69 CO -0.00 0.33 0.91 1.25 -2.00 0.00 0.00 174.74 175.22 2dsm h HIS 70 N 4.73 -0.14 0.00 0.38 2.76 -2.06 -3.48 115.15 117.34 2dsm h HIS 70 Ca -0.48 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2dsm h HIS 70 Cb 1.16 0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.17 2dsm h HIS 70 CO 0.56 -0.09 0.00 0.72 -1.30 0.00 0.00 177.93 177.82 2dsm n HIS 71 N -2.47 -2.77 -0.24 5.26 8.25 -1.26 -5.35 115.22 116.65 2dsm n HIS 71 Ca -0.02 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 2dsm n HIS 71 Cb 0.06 1.44 0.00 0.00 1.12 0.00 0.00 29.99 32.61 2dsm n HIS 71 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70