#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 0.00 0.01 1.12 0.31 -1.26 -5.08 118.33 113.43 2dsm n VAL 2 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2dsm n VAL 2 Cb 0.00 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2dsm n VAL 2 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2dsm n GLU 3 N -1.20 0.00 -4.42 5.55 2.13 -1.26 -5.16 120.64 116.28 2dsm n GLU 3 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 2dsm n GLU 3 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 2dsm n GLU 3 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2dsm s ASN 4 N -2.00 3.74 -0.21 4.31 2.20 -1.26 -5.01 114.94 116.71 2dsm s ASN 4 Ca 0.00 -0.90 0.05 0.00 -0.94 0.00 0.00 52.86 51.08 2dsm s ASN 4 Cb 0.00 -0.40 0.45 0.00 -2.00 0.00 0.00 41.25 39.30 2dsm s ASN 4 CO 0.00 0.06 1.41 -0.81 -2.94 0.00 0.00 177.10 174.82 2dsm n PRO 5 N -0.38 2.52 0.00 3.55 -0.04 -1.26 -4.13 135.00 135.26 2dsm n PRO 5 Ca -0.08 -1.85 0.02 0.00 -0.04 0.00 0.00 63.50 61.55 2dsm n PRO 5 Cb 0.58 -1.83 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 2dsm n PRO 5 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2dsm n MET 6 N -0.07 0.64 -2.00 0.54 1.56 -1.26 -4.90 117.12 111.63 2dsm n MET 6 Ca 0.27 0.06 -0.41 0.00 -0.27 0.00 0.00 57.70 57.35 2dsm n MET 6 Cb 1.02 -1.68 -0.02 0.00 2.15 0.00 0.00 33.22 34.70 2dsm n MET 6 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2dsm s VAL 7 N -3.02 2.50 0.04 1.12 0.11 -1.26 -4.94 120.40 114.95 2dsm s VAL 7 Ca -0.05 0.49 -0.30 0.00 -2.93 0.00 0.00 61.98 59.18 2dsm s VAL 7 Cb 0.09 -3.31 -0.06 0.00 -1.53 0.00 0.00 36.38 31.57 2dsm s VAL 7 CO 0.84 0.11 1.32 0.27 -3.33 0.00 0.00 175.10 174.31 2dsm s ILE 8 N -0.95 3.77 -0.26 7.04 -5.25 -1.26 -4.89 121.20 119.40 2dsm s ILE 8 Ca 0.52 1.22 0.20 0.00 -0.99 0.00 0.00 60.65 61.60 2dsm s ILE 8 Cb -0.42 -3.78 0.23 0.00 2.95 0.00 0.00 42.46 41.44 2dsm s ILE 8 CO 0.54 0.05 1.58 0.78 -1.79 0.00 0.00 174.94 176.10 2dsm h ASN 9 N 7.25 0.00 -2.31 4.36 4.21 -1.95 -3.39 115.58 123.74 2dsm h ASN 9 Ca -0.39 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.46 2dsm h ASN 9 Cb 1.19 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.24 2dsm h ASN 9 CO 0.86 0.21 0.84 0.21 -1.29 0.00 0.00 177.43 178.27 2dsm s ASN 10 N -6.28 6.46 -0.51 5.81 3.84 -1.26 -4.98 114.94 118.02 2dsm s ASN 10 Ca 0.05 -1.62 -0.28 0.00 0.21 0.00 0.00 52.86 51.22 2dsm s ASN 10 Cb 0.07 -2.43 0.01 0.00 -0.55 0.00 0.00 41.25 38.35 2dsm s ASN 10 CO 0.69 -1.25 1.39 0.26 -2.79 0.00 0.00 177.10 175.40 2dsm s TRP 11 N 3.47 2.36 -1.16 0.43 0.52 -1.26 -4.80 118.94 118.49 2dsm s TRP 11 Ca 0.31 0.55 0.27 0.00 0.02 0.00 0.00 56.10 57.26 2dsm s TRP 11 Cb -0.08 -4.37 0.96 0.00 -1.15 0.00 0.00 33.47 28.82 2dsm s TRP 11 CO -0.03 -1.92 1.72 1.58 0.02 0.00 0.00 176.95 178.31 2dsm n HIS 12 N 9.24 0.00 -2.45 -1.98 -0.00 -1.26 -4.82 115.22 113.95 2dsm n HIS 12 Ca 0.14 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.91 2dsm n HIS 12 Cb 0.49 -0.33 -0.04 0.00 -0.12 0.00 0.00 29.99 29.99 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 -2.87 7.19 -0.17 0.26 2.15 -1.26 -4.96 116.67 117.01 2dsm s ASP 13 Ca 0.16 2.17 0.12 0.00 0.43 0.00 0.00 52.55 55.43 2dsm s ASP 13 Cb 0.19 -2.61 -0.18 0.00 -0.30 0.00 0.00 42.92 40.01 2dsm s ASP 13 CO 0.58 -0.28 0.01 0.29 -0.17 0.00 0.00 175.17 175.60 2dsm n LYS 14 N 2.30 1.23 -2.38 4.34 5.02 -1.26 -5.09 118.16 122.31 2dsm n LYS 14 Ca 0.03 0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.30 2dsm n LYS 14 Cb 0.45 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 2dsm n LYS 14 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2dsm n LEU 15 N -2.69 -5.66 0.00 -0.35 4.77 -1.26 -5.05 117.00 106.76 2dsm n LEU 15 Ca -0.28 2.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.81 2dsm n LEU 15 Cb 0.99 -2.97 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 2dsm n LEU 15 CO 0.31 -3.31 0.00 0.35 -1.33 0.00 0.00 177.39 173.41 2dsm n THR 16 N 1.50 0.00 -4.65 -5.08 -2.24 -1.26 -5.01 114.28 97.55 2dsm n THR 16 Ca -0.30 0.13 -0.26 0.00 -2.27 0.00 0.00 64.05 61.36 2dsm n THR 16 Cb 0.46 -0.79 -0.17 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.26 1.87 0.03 -0.78 2.02 -1.26 -4.97 118.70 115.35 2dsm s GLU 17 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2dsm s GLU 17 Cb 0.00 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.70 2dsm s GLU 17 CO 0.00 0.04 0.00 2.41 0.02 0.00 0.00 175.26 177.73 2dsm n THR 18 N 3.80 0.00 1.54 3.63 -1.04 -1.26 -4.93 114.28 116.02 2dsm n THR 18 Ca -0.22 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.83 2dsm n THR 18 Cb 0.52 -0.17 0.16 0.00 -1.82 0.00 0.00 70.33 69.02 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 -2.56 0.81 -4.36 8.00 5.75 -1.26 -4.69 116.55 118.24 2dsm n ASP 19 Ca 0.00 -1.89 -0.45 0.00 -0.01 0.00 0.00 54.79 52.43 2dsm n ASP 19 Cb 0.00 -0.09 -0.05 0.00 -1.03 0.00 0.00 41.12 39.95 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 -1.82 5.04 0.20 2.12 1.01 -1.26 -4.29 120.40 121.41 2dsm s VAL 20 Ca 0.15 -1.17 0.10 0.00 0.00 0.00 0.00 61.98 61.06 2dsm s VAL 20 Cb 0.08 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2dsm s VAL 20 CO 0.11 -0.92 -0.19 0.00 0.00 0.00 0.00 175.10 174.10 2dsm s GLN 21 N 2.09 1.42 -0.03 2.72 -2.07 -1.26 -5.05 119.66 117.49 2dsm s GLN 21 Ca 0.07 -1.54 0.05 0.00 -1.82 0.00 0.00 55.36 52.13 2dsm s GLN 21 Cb -0.26 -1.51 -0.01 0.00 -1.09 0.00 0.00 33.01 30.14 2dsm s GLN 21 CO 0.05 0.30 -0.19 0.42 -1.32 0.00 0.00 175.29 174.56 2dsm s ILE 22 N -2.20 1.51 0.87 3.63 1.01 -1.26 -0.56 121.20 124.20 2dsm s ILE 22 Ca 0.21 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 2dsm s ILE 22 Cb -0.05 -1.27 0.11 0.00 0.01 0.00 0.00 42.46 41.26 2dsm s ILE 22 CO 0.09 0.43 1.10 -0.62 0.00 0.00 0.00 174.94 175.94 2dsm s ASP 23 N -0.28 3.62 0.42 3.58 -1.08 0.57 -4.31 116.67 119.19 2dsm s ASP 23 Ca 0.03 1.77 0.19 0.00 -0.52 0.00 0.00 52.55 54.02 2dsm s ASP 23 Cb -0.09 -2.40 1.12 0.00 -1.46 0.00 0.00 42.92 40.09 2dsm s ASP 23 CO 0.00 -2.59 1.81 0.15 0.52 0.00 0.00 175.17 175.06 2dsm h PHE 24 N -1.51 0.57 -0.03 -5.34 3.57 0.33 -0.69 116.94 113.83 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 1.26 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2dsm h PHE 24 CO 0.49 0.09 0.00 0.66 -2.23 0.00 0.00 178.31 177.33 2dsm n TYR 25 N -4.55 0.03 -1.68 0.41 4.02 -1.26 -4.87 117.16 109.26 2dsm n TYR 25 Ca 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 2dsm n TYR 25 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.15 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 1.05 0.97 3.17 2.72 0.00 -0.27 -5.08 105.19 107.75 2dsm n GLY 26 Ca 0.20 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.68 2.90 0.07 1.61 2.15 -1.24 -4.95 116.67 114.53 2dsm s ASP 27 Ca 0.00 -0.54 -0.31 0.00 0.43 0.00 0.00 52.55 52.14 2dsm s ASP 27 Cb 0.00 -1.33 -0.08 0.00 -0.30 0.00 0.00 42.92 41.21 2dsm s ASP 27 CO 0.00 0.11 1.60 -1.61 -0.17 0.00 0.00 175.17 175.09 2dsm s GLU 28 N 0.60 4.22 -0.32 4.34 8.01 -1.26 -0.31 118.70 133.97 2dsm s GLU 28 Ca -0.13 2.27 0.04 0.00 0.01 0.00 0.00 54.97 57.16 2dsm s GLU 28 Cb -0.17 -3.54 0.09 0.00 -4.31 0.00 0.00 34.13 26.21 2dsm s GLU 28 CO 0.04 -0.69 0.02 0.08 0.01 0.00 0.00 175.26 174.72 2dsm s VAL 29 N 2.40 2.22 0.78 2.63 1.01 0.28 -4.87 120.40 124.85 2dsm s VAL 29 Ca 0.72 -2.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 2dsm s VAL 29 Cb -0.39 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.47 2dsm s VAL 29 CO 0.31 -0.48 1.12 0.42 0.00 0.00 0.00 175.10 176.47 2dsm s THR 30 N 0.96 2.84 -0.87 3.92 -4.23 -1.26 -4.02 115.64 112.98 2dsm s THR 30 Ca 0.07 0.27 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 2dsm s THR 30 Cb -0.19 -3.18 0.03 0.00 1.34 0.00 0.00 72.50 70.50 2dsm s THR 30 CO -0.08 -0.36 1.08 -0.81 -0.54 0.00 0.00 174.62 173.92 2dsm n PRO 31 N -3.28 0.02 -0.21 3.99 -0.04 -1.26 -0.94 135.00 133.28 2dsm n PRO 31 Ca 0.07 0.51 0.09 0.00 -0.04 0.00 0.00 63.50 64.13 2dsm n PRO 31 Cb 0.58 -1.57 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.60 0.78 -3.84 0.52 0.24 -1.26 -4.97 118.33 108.20 2dsm n VAL 32 Ca -0.00 -0.89 -0.27 0.00 -2.04 0.00 0.00 64.34 61.14 2dsm n VAL 32 Cb 0.01 0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 33.04 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 -1.10 6.36 -0.41 -1.34 1.01 -0.12 -5.05 116.67 116.03 2dsm s ASP 33 Ca 0.32 0.27 -0.29 0.00 0.71 0.00 0.00 52.55 53.57 2dsm s ASP 33 Cb 0.18 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 42.17 2dsm s ASP 33 CO 0.24 0.02 1.29 -1.81 0.21 0.00 0.00 175.17 175.12 2dsm s ASP 34 N -3.17 6.52 0.20 0.27 1.11 -1.26 -4.91 116.67 115.43 2dsm s ASP 34 Ca 0.36 0.80 -0.09 0.00 0.18 0.00 0.00 52.55 53.81 2dsm s ASP 34 Cb -0.11 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.32 2dsm s ASP 34 CO 0.29 -1.29 0.33 -0.72 1.18 0.00 0.00 175.17 174.95 2dsm s TYR 35 N 4.86 0.56 0.03 4.23 1.13 -1.26 -0.79 117.35 126.11 2dsm s TYR 35 Ca 0.56 -0.89 0.01 0.00 -1.41 0.00 0.00 57.07 55.34 2dsm s TYR 35 Cb -0.12 -0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.65 2dsm s TYR 35 CO 0.30 -0.81 -0.05 0.08 -2.51 0.00 0.00 175.55 172.56 2dsm s VAL 36 N -4.03 0.33 -0.27 -3.49 1.01 0.01 -4.82 120.40 109.14 2dsm s VAL 36 Ca 0.24 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2dsm s VAL 36 Cb 0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2dsm s VAL 36 CO 0.06 -0.35 0.09 -0.63 0.00 0.00 0.00 175.10 174.28 2dsm s ILE 37 N -1.18 4.39 -0.79 2.22 1.01 -1.26 -0.33 121.20 125.26 2dsm s ILE 37 Ca -0.10 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 2dsm s ILE 37 Cb -0.08 -3.12 0.20 0.00 0.01 0.00 0.00 42.46 39.47 2dsm s ILE 37 CO -0.00 0.25 0.68 -1.81 0.00 0.00 0.00 174.94 174.06 2dsm s ASP 38 N 1.61 6.11 0.00 3.58 1.11 0.05 -4.63 116.67 124.50 2dsm s ASP 38 Ca 0.06 -3.01 0.00 0.00 0.18 0.00 0.00 52.55 49.77 2dsm s ASP 38 Cb -0.16 -2.03 0.00 0.00 1.07 0.00 0.00 42.92 41.80 2dsm s ASP 38 CO 0.04 -0.40 0.00 0.61 1.18 0.00 0.00 175.17 176.60 2dsm n GLY 39 N 3.40 1.63 0.00 0.21 0.00 -0.98 -3.50 105.19 105.95 2dsm n GLY 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 1.14 3.94 -0.02 0.00 -1.26 -4.88 105.19 102.10 2dsm n GLY 40 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 3.49 -0.08 1.61 2.02 -1.23 -5.07 118.70 119.44 2dsm s GLU 41 Ca 0.00 -0.43 -0.12 0.00 0.02 0.00 0.00 54.97 54.44 2dsm s GLU 41 Cb 0.00 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 2dsm s GLU 41 CO 0.00 0.39 0.28 0.42 0.02 0.00 0.00 175.26 176.37 2dsm s ILE 42 N -1.92 5.27 -0.10 -1.63 1.01 -1.26 -0.77 121.20 121.80 2dsm s ILE 42 Ca 0.37 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.56 2dsm s ILE 42 Cb -0.11 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.81 2dsm s ILE 42 CO 0.30 0.54 -0.05 -0.63 0.00 0.00 0.00 174.94 175.10 2dsm s ILE 43 N -0.66 0.83 0.30 2.92 1.09 0.55 0.10 121.20 126.33 2dsm s ILE 43 Ca 0.19 -0.17 -0.30 0.00 -1.10 0.00 0.00 60.65 59.27 2dsm s ILE 43 Cb -0.14 -0.89 -0.12 0.00 -1.06 0.00 0.00 42.46 40.25 2dsm s ILE 43 CO 0.08 0.33 1.47 -0.11 -0.10 0.00 0.00 174.94 176.61 2dsm n LEU 44 N 4.95 3.91 0.13 2.97 0.00 -1.26 -0.81 117.00 126.89 2dsm n LEU 44 Ca -0.11 1.17 0.07 0.00 0.00 0.00 0.00 56.01 57.14 2dsm n LEU 44 Cb 0.50 -1.53 0.38 0.00 0.00 0.00 0.00 43.42 42.78 2dsm n LEU 44 CO 0.15 -0.15 0.76 0.54 0.00 0.00 0.00 177.39 178.69 2dsm n ARG 45 N 1.56 0.09 0.25 1.96 5.12 0.03 -2.18 116.66 123.50 2dsm n ARG 45 Ca 0.08 0.56 -0.14 0.00 -1.93 0.00 0.00 57.85 56.42 2dsm n ARG 45 Cb 0.35 -1.95 -0.07 0.00 -1.16 0.00 0.00 32.46 29.63 2dsm n ARG 45 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2dsm h GLU 46 N 0.00 -0.64 -0.57 5.56 4.81 -1.88 -3.29 114.58 118.57 2dsm h GLU 46 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2dsm h GLU 46 Cb 0.29 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2dsm h GLU 46 CO 0.00 -0.34 0.00 -1.71 -0.73 0.00 0.00 179.01 176.23 2dsm n ASN 47 N -5.26 3.75 0.03 1.04 2.85 -0.99 -4.15 115.26 112.54 2dsm n ASN 47 Ca -0.10 -2.00 0.20 0.00 -0.11 0.00 0.00 54.58 52.57 2dsm n ASN 47 Cb 0.31 -0.38 0.71 0.00 1.24 0.00 0.00 39.78 41.67 2dsm n ASN 47 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2dsm h LEU 48 N 4.45 0.00 -0.93 1.20 5.85 -1.50 -0.90 115.31 123.47 2dsm h LEU 48 Ca 0.00 0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.97 2dsm h LEU 48 Cb 1.00 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.86 2dsm h LEU 48 CO 0.00 0.00 0.07 -0.08 -0.34 0.00 0.00 178.44 178.09 2dsm h GLU 49 N 0.00 0.06 -0.12 1.25 4.57 -1.79 0.16 114.58 118.71 2dsm h GLU 49 Ca 0.23 -0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.17 2dsm h GLU 49 Cb 0.97 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.55 2dsm h GLU 49 CO -0.00 0.04 -0.82 0.00 -1.18 0.00 0.00 179.01 177.04 2dsm h ARG 50 N 0.06 0.75 -0.33 1.92 -0.00 -1.50 -1.62 114.38 113.67 2dsm h ARG 50 Ca 0.57 -0.65 -0.05 0.00 -0.50 0.00 0.00 59.98 59.35 2dsm h ARG 50 Cb 1.16 0.14 -0.01 0.00 0.00 0.00 0.00 29.97 31.26 2dsm h ARG 50 CO -0.83 1.25 0.01 1.88 0.00 0.00 0.00 179.97 182.28 2dsm h TYR 51 N 0.50 0.62 0.00 3.04 -1.99 -1.25 -1.59 116.97 116.30 2dsm h TYR 51 Ca -0.06 -0.11 -0.04 0.00 2.00 0.00 0.00 58.73 60.52 2dsm h TYR 51 Cb 1.45 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 40.02 2dsm h TYR 51 CO 0.09 0.69 -0.19 -0.07 -0.00 0.00 0.00 178.16 178.67 2dsm h LEU 52 N 0.38 0.00 -0.37 3.88 3.38 -0.78 -0.85 115.31 120.94 2dsm h LEU 52 Ca 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2dsm h LEU 52 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2dsm h LEU 52 CO 0.02 0.19 -0.57 -0.09 0.09 0.00 0.00 178.44 178.08 2dsm h ARG 53 N 0.00 0.00 0.00 1.13 2.43 -0.73 -3.05 114.38 114.17 2dsm h ARG 53 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2dsm h ARG 53 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2dsm h ARG 53 CO 0.02 0.57 0.00 0.39 -1.51 0.00 0.00 179.97 179.44 2dsm n GLU 54 N -3.40 0.00 -0.03 0.20 1.02 -0.65 -4.80 120.64 112.98 2dsm n GLU 54 Ca 0.01 0.19 0.04 0.00 -0.02 0.00 0.00 57.16 57.37 2dsm n GLU 54 Cb 0.69 -0.69 -0.15 0.00 -0.02 0.00 0.00 31.44 31.28 2dsm n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dsm n GLN 55 N -2.30 0.74 -3.17 3.49 0.00 -0.55 -5.02 117.38 110.57 2dsm n GLN 55 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 57.00 56.73 2dsm n GLN 55 Cb 0.00 -1.46 0.06 0.00 0.00 0.00 0.00 30.24 28.84 2dsm n GLN 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2dsm n LEU 56 N -2.33 -3.12 0.00 2.61 7.94 -0.44 -2.95 117.00 118.71 2dsm n LEU 56 Ca -0.12 -0.39 0.00 0.00 -1.11 0.00 0.00 56.01 54.39 2dsm n LEU 56 Cb 0.69 -2.28 0.00 0.00 0.53 0.00 0.00 43.42 42.36 2dsm n LEU 56 CO 0.40 0.39 0.00 0.61 -1.11 0.00 0.00 177.39 177.68 2dsm n GLY 57 N -1.40 2.96 3.83 -3.96 0.00 -1.26 -4.93 105.19 100.43 2dsm n GLY 57 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.95 3.55 -0.57 1.61 0.08 -1.15 -2.32 117.98 117.22 2dsm s PHE 58 Ca 0.00 0.50 -0.20 0.00 0.12 0.00 0.00 56.93 57.35 2dsm s PHE 58 Cb 0.00 -2.04 0.08 0.00 -0.57 0.00 0.00 43.02 40.49 2dsm s PHE 58 CO 0.00 0.58 0.73 -2.00 -0.10 0.00 0.00 175.22 174.44 2dsm s GLU 59 N -0.57 3.09 -0.90 0.44 2.12 -1.26 -4.74 118.70 116.88 2dsm s GLU 59 Ca 0.14 -1.05 -0.24 0.00 0.36 0.00 0.00 54.97 54.17 2dsm s GLU 59 Cb -0.12 -4.20 0.01 0.00 0.26 0.00 0.00 34.13 30.08 2dsm s GLU 59 CO 0.03 -1.49 1.61 0.12 -0.54 0.00 0.00 175.26 174.99 2dsm s PHE 60 N 2.96 2.20 0.54 5.30 5.36 -1.26 -4.95 117.98 128.12 2dsm s PHE 60 Ca 0.15 -0.14 0.06 0.00 -0.96 0.00 0.00 56.93 56.05 2dsm s PHE 60 Cb -0.21 -4.44 0.06 0.00 -0.34 0.00 0.00 43.02 38.09 2dsm s PHE 60 CO 0.09 -1.94 0.74 0.15 -1.46 0.00 0.00 175.22 172.80 2dsm s LYS 61 N 5.88 2.44 0.31 10.12 -0.14 -1.26 -5.14 119.74 131.95 2dsm s LYS 61 Ca 0.53 -1.26 0.04 0.00 -1.36 0.00 0.00 55.97 53.92 2dsm s LYS 61 Cb -0.04 -2.61 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 2dsm s LYS 61 CO -0.01 -0.71 0.20 0.54 -0.76 0.00 0.00 175.35 174.61 2dsm s ASN 62 N -4.52 1.47 0.31 2.83 4.22 -1.26 -5.04 114.94 112.95 2dsm s ASN 62 Ca 0.59 -1.62 0.02 0.00 -2.14 0.00 0.00 52.86 49.72 2dsm s ASN 62 Cb -0.08 0.46 0.59 0.00 1.28 0.00 0.00 41.25 43.50 2dsm s ASN 62 CO 0.38 -0.95 1.91 0.00 -2.04 0.00 0.00 177.10 176.39 2dsm h ALA 63 N 2.22 1.58 -5.91 3.54 0.00 -2.05 -3.46 119.26 115.17 2dsm h ALA 63 Ca -0.31 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.21 2dsm h ALA 63 Cb 1.24 -0.24 0.10 0.00 0.00 0.00 0.00 17.79 18.90 2dsm h ALA 63 CO 0.47 0.27 -0.82 0.94 0.00 0.00 0.00 179.25 180.11 2dsm n GLN 64 N -4.51 -5.23 -2.08 0.00 0.00 -1.26 -4.84 117.38 99.48 2dsm n GLN 64 Ca 0.14 0.71 -0.28 0.00 -0.00 0.00 0.00 57.00 57.57 2dsm n GLN 64 Cb 0.25 -5.41 -0.05 0.00 0.00 0.00 0.00 30.24 25.02 2dsm n GLN 64 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2dsm s LEU 65 N -6.49 3.18 -1.14 1.69 2.96 -1.26 -4.88 118.68 112.74 2dsm s LEU 65 Ca 0.04 -0.80 -0.21 0.00 -0.22 0.00 0.00 54.13 52.94 2dsm s LEU 65 Cb -0.01 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 44.15 2dsm s LEU 65 CO 0.78 -2.71 1.69 -0.70 -1.32 0.00 0.00 176.35 174.09 2dsm s GLU 66 N 6.86 3.49 -0.25 1.98 2.56 -1.26 -4.88 118.70 127.19 2dsm s GLU 66 Ca 0.69 -1.39 -0.01 0.00 0.00 0.00 0.00 54.97 54.26 2dsm s GLU 66 Cb -0.06 -5.38 0.08 0.00 2.00 0.00 0.00 34.13 30.77 2dsm s GLU 66 CO -0.00 -2.60 0.05 -1.58 -0.56 0.00 0.00 175.26 170.57 2dsm s HIS 67 N 6.07 1.55 0.50 5.30 2.46 -1.26 -5.13 115.29 124.78 2dsm s HIS 67 Ca 0.55 -1.40 -0.20 0.00 0.47 0.00 0.00 55.06 54.48 2dsm s HIS 67 Cb 0.01 -1.43 -0.08 0.00 -0.13 0.00 0.00 32.58 30.95 2dsm s HIS 67 CO 0.01 -0.76 1.05 -1.01 -2.47 0.00 0.00 174.74 171.56 2dsm s HIS 68 N 1.67 2.97 -0.00 3.88 3.76 -1.26 -4.70 115.29 121.61 2dsm s HIS 68 Ca 0.03 1.57 -0.01 0.00 -0.15 0.00 0.00 55.06 56.51 2dsm s HIS 68 Cb -0.17 -3.08 0.00 0.00 1.11 0.00 0.00 32.58 30.44 2dsm s HIS 68 CO -0.16 -0.91 0.01 0.72 -0.85 0.00 0.00 174.74 173.56 2dsm n HIS 69 N -1.06 -1.90 0.03 1.40 8.25 -1.26 -4.97 115.22 115.71 2dsm n HIS 69 Ca 0.09 1.13 0.03 0.00 -0.26 0.00 0.00 57.72 58.70 2dsm n HIS 69 Cb 0.52 -2.70 -0.08 0.00 1.12 0.00 0.00 29.99 28.86 2dsm n HIS 69 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2dsm n HIS 70 N 0.72 0.82 -3.73 4.41 -0.00 -1.26 -4.90 115.22 111.28 2dsm n HIS 70 Ca -0.02 0.26 -0.13 0.00 -0.00 0.00 0.00 57.72 57.83 2dsm n HIS 70 Cb 0.04 -1.00 -0.10 0.00 -0.00 0.00 0.00 29.99 28.92 2dsm n HIS 70 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dsm s HIS 71 N -3.04 -0.48 0.00 4.41 2.46 -1.26 -5.27 115.29 112.11 2dsm s HIS 71 Ca -0.03 1.15 0.00 0.00 0.47 0.00 0.00 55.06 56.64 2dsm s HIS 71 Cb 0.09 0.17 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 2dsm s HIS 71 CO 0.82 -0.24 0.03 1.58 -2.47 0.00 0.00 174.74 174.46