#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 3.78 -3.28 2.03 0.24 -1.26 -4.95 118.33 114.89 2dsm n VAL 2 Ca 0.00 -3.70 -0.38 0.00 -2.04 0.00 0.00 64.34 58.22 2dsm n VAL 2 Cb 0.00 -2.46 -0.06 0.00 -1.47 0.00 0.00 33.84 29.85 2dsm n VAL 2 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2dsm s GLU 3 N 3.50 4.26 -0.85 7.34 2.12 -1.26 -4.31 118.70 129.50 2dsm s GLU 3 Ca 0.50 0.62 -0.03 0.00 0.36 0.00 0.00 54.97 56.43 2dsm s GLU 3 Cb 0.08 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 2dsm s GLU 3 CO 0.00 0.39 0.76 0.09 -0.54 0.00 0.00 175.26 175.96 2dsm n ASN 4 N 2.74 -7.23 0.25 -1.70 5.03 -1.26 -4.91 115.26 108.18 2dsm n ASN 4 Ca -0.08 -0.33 0.12 0.00 0.87 0.00 0.00 54.58 55.16 2dsm n ASN 4 Cb 0.51 -5.01 0.59 0.00 -1.02 0.00 0.00 39.78 34.85 2dsm n ASN 4 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2dsm h PRO 5 N -0.10 0.00 -2.41 3.52 0.11 -2.00 -3.44 132.00 127.67 2dsm h PRO 5 Ca -0.23 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.80 2dsm h PRO 5 Cb 1.12 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.04 2dsm h PRO 5 CO 0.35 0.15 0.00 1.41 -0.21 0.00 0.00 178.00 179.71 2dsm s MET 6 N -3.80 0.90 0.73 1.05 -2.45 -1.26 -5.16 119.30 109.30 2dsm s MET 6 Ca -0.00 0.09 -0.13 0.00 -1.25 0.00 0.00 55.69 54.40 2dsm s MET 6 Cb 0.11 0.42 0.04 0.00 1.25 0.00 0.00 34.83 36.64 2dsm s MET 6 CO 0.60 -0.27 1.12 0.14 1.05 0.00 0.00 175.02 177.67 2dsm s VAL 7 N -1.21 2.99 -0.12 10.11 -7.23 -1.26 -5.03 120.40 118.64 2dsm s VAL 7 Ca -0.12 0.41 -0.03 0.00 -1.81 0.00 0.00 61.98 60.44 2dsm s VAL 7 Cb -0.02 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.01 2dsm s VAL 7 CO 0.08 -0.34 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.00 2dsm s ILE 8 N -2.47 4.07 0.00 -0.62 2.07 -1.26 -4.97 121.20 118.02 2dsm s ILE 8 Ca 0.67 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 2dsm s ILE 8 Cb -0.21 -2.74 0.00 0.00 0.13 0.00 0.00 42.46 39.64 2dsm s ILE 8 CO 0.48 0.55 0.00 -3.20 -1.91 0.00 0.00 174.94 170.86 2dsm n ASN 9 N 2.82 0.00 -3.63 4.50 4.05 -1.26 -5.17 115.26 116.57 2dsm n ASN 9 Ca -0.18 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.80 2dsm n ASN 9 Cb 0.53 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.49 2dsm n ASN 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2dsm s ASN 10 N 1.72 -0.15 -0.02 1.20 4.22 -1.26 -5.08 114.94 115.57 2dsm s ASN 10 Ca 0.00 0.20 0.02 0.00 -2.14 0.00 0.00 52.86 50.94 2dsm s ASN 10 Cb 0.00 0.17 -0.00 0.00 1.28 0.00 0.00 41.25 42.70 2dsm s ASN 10 CO 0.00 -0.12 -0.09 0.86 -2.04 0.00 0.00 177.10 175.72 2dsm s TRP 11 N -0.76 0.86 -0.21 1.54 -0.00 -1.26 -5.13 118.94 113.97 2dsm s TRP 11 Ca 0.06 -0.19 -0.20 0.00 -0.00 0.00 0.00 56.10 55.76 2dsm s TRP 11 Cb -0.02 -0.60 0.06 0.00 -0.00 0.00 0.00 33.47 32.91 2dsm s TRP 11 CO -0.07 -0.07 0.57 -1.58 -0.00 0.00 0.00 176.95 175.81 2dsm s HIS 12 N 0.06 -0.63 0.11 5.86 2.46 -1.26 -5.07 115.29 116.82 2dsm s HIS 12 Ca -0.01 1.53 -0.33 0.00 0.47 0.00 0.00 55.06 56.72 2dsm s HIS 12 Cb -0.07 0.22 -0.13 0.00 -0.13 0.00 0.00 32.58 32.48 2dsm s HIS 12 CO 0.00 -0.30 1.56 0.22 -2.47 0.00 0.00 174.74 173.75 2dsm h ASP 13 N 5.26 -1.52 -3.50 9.88 3.58 -2.05 -3.33 116.42 124.74 2dsm h ASP 13 Ca -0.28 0.17 -0.71 0.00 0.42 0.00 0.00 57.03 56.63 2dsm h ASP 13 Cb 1.17 0.57 -0.29 0.00 1.72 0.00 0.00 39.33 42.50 2dsm h ASP 13 CO 0.15 -0.53 -0.51 -1.59 -2.88 0.00 0.00 179.24 173.88 2dsm s LYS 14 N -5.81 2.51 -0.07 0.28 -2.85 -1.26 -5.06 119.74 107.48 2dsm s LYS 14 Ca -0.16 -1.47 -0.29 0.00 -1.00 0.00 0.00 55.97 53.05 2dsm s LYS 14 Cb 0.07 -3.68 -0.07 0.00 -2.06 0.00 0.00 37.83 32.09 2dsm s LYS 14 CO 0.62 -0.92 1.96 -1.17 0.10 0.00 0.00 175.35 175.94 2dsm s LEU 15 N 1.37 4.08 0.00 2.77 1.98 -1.25 -4.77 118.68 122.87 2dsm s LEU 15 Ca 0.03 2.28 0.00 0.00 -2.89 0.00 0.00 54.13 53.55 2dsm s LEU 15 Cb -0.22 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.10 2dsm s LEU 15 CO 0.01 -1.32 0.00 0.41 -1.89 0.00 0.00 176.35 173.56 2dsm n THR 16 N 6.26 0.00 -3.12 3.68 -1.04 -1.26 -4.95 114.28 113.85 2dsm n THR 16 Ca 0.22 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.78 2dsm n THR 16 Cb 0.43 -0.95 -0.04 0.00 -1.82 0.00 0.00 70.33 67.95 2dsm n THR 16 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2dsm s GLU 17 N -2.00 3.11 -0.19 -2.82 8.01 -1.26 -4.86 118.70 118.68 2dsm s GLU 17 Ca 0.00 -1.43 -0.16 0.00 0.01 0.00 0.00 54.97 53.40 2dsm s GLU 17 Cb 0.00 -4.32 -0.11 0.00 -4.31 0.00 0.00 34.13 25.39 2dsm s GLU 17 CO 0.00 -1.54 -0.08 2.41 0.01 0.00 0.00 175.26 176.06 2dsm n THR 18 N 5.44 1.49 -1.99 3.63 -1.04 -1.26 -4.62 114.28 115.93 2dsm n THR 18 Ca -0.06 0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 2dsm n THR 18 Cb 0.43 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 2dsm n THR 18 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2dsm n ASP 19 N -4.47 4.34 -4.47 8.00 8.00 -1.26 -4.88 116.55 121.81 2dsm n ASP 19 Ca -0.26 -2.93 -0.43 0.00 0.71 0.00 0.00 54.79 51.88 2dsm n ASP 19 Cb 0.56 -1.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.03 2dsm n ASP 19 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dsm s VAL 20 N 2.35 4.59 -0.02 2.53 1.01 -1.26 -4.67 120.40 124.92 2dsm s VAL 20 Ca 0.45 -1.50 0.05 0.00 0.00 0.00 0.00 61.98 60.99 2dsm s VAL 20 Cb 0.12 -4.84 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 2dsm s VAL 20 CO -0.05 -1.60 -0.18 0.00 0.00 0.00 0.00 175.10 173.28 2dsm s GLN 21 N 3.05 2.32 0.27 2.72 1.03 -1.24 -5.04 119.66 122.77 2dsm s GLN 21 Ca 0.36 -0.81 0.05 0.00 0.04 0.00 0.00 55.36 55.00 2dsm s GLN 21 Cb -0.04 -2.26 -0.03 0.00 0.03 0.00 0.00 33.01 30.72 2dsm s GLN 21 CO -0.09 0.59 0.40 0.42 -2.54 0.00 0.00 175.29 174.07 2dsm s ILE 22 N -0.74 4.97 0.00 3.63 1.01 -1.26 -1.87 121.20 126.93 2dsm s ILE 22 Ca 0.12 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2dsm s ILE 22 Cb -0.10 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2dsm s ILE 22 CO 0.01 -0.30 0.00 -0.90 0.00 0.00 0.00 174.94 173.75 2dsm n ASP 23 N -1.49 -0.05 0.09 3.58 5.75 -1.26 -4.78 116.55 118.38 2dsm n ASP 23 Ca -0.07 -0.69 -0.07 0.00 -0.01 0.00 0.00 54.79 53.95 2dsm n ASP 23 Cb 0.57 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.63 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 -0.74 0.14 0.05 2.11 3.57 -0.44 -3.31 116.94 118.31 2dsm h PHE 24 Ca 0.00 -0.09 -0.24 0.00 3.53 0.00 0.00 57.97 61.18 2dsm h PHE 24 Cb 0.00 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2dsm h PHE 24 CO 0.00 0.95 -1.10 1.88 -2.23 0.00 0.00 178.31 177.81 2dsm h TYR 25 N 0.04 0.20 0.00 0.41 -1.99 -1.94 -3.48 116.97 110.21 2dsm h TYR 25 Ca -0.03 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.56 2dsm h TYR 25 Cb 1.58 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.31 2dsm h TYR 25 CO 0.02 1.11 0.00 0.41 -0.00 0.00 0.00 178.16 179.70 2dsm n GLY 26 N 1.42 1.00 0.00 3.88 0.00 -1.25 -5.11 105.19 105.13 2dsm n GLY 26 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2dsm n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dsm n ASP 27 N 0.00 0.00 -3.45 1.61 8.00 -1.26 -5.00 116.55 116.45 2dsm n ASP 27 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2dsm n ASP 27 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2dsm n ASP 27 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2dsm s GLU 28 N 0.83 0.18 -0.26 -1.24 2.12 -1.26 -4.86 118.70 114.21 2dsm s GLU 28 Ca 0.00 0.38 -0.04 0.00 0.36 0.00 0.00 54.97 55.67 2dsm s GLU 28 Cb 0.00 0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.56 2dsm s GLU 28 CO 0.00 -0.05 -0.01 0.08 -0.54 0.00 0.00 175.26 174.74 2dsm s VAL 29 N 1.76 3.29 0.34 3.70 1.01 -0.78 -4.92 120.40 124.80 2dsm s VAL 29 Ca -0.04 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.16 2dsm s VAL 29 Cb -0.03 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2dsm s VAL 29 CO -0.15 0.19 0.32 0.42 0.00 0.00 0.00 175.10 175.88 2dsm s THR 30 N 1.40 3.62 -1.87 3.92 -4.23 -1.26 -3.63 115.64 113.59 2dsm s THR 30 Ca 0.02 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2dsm s THR 30 Cb -0.16 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2dsm s THR 30 CO -0.02 -0.17 0.39 -2.65 -0.54 0.00 0.00 174.62 171.63 2dsm n PRO 31 N -1.42 0.00 -0.08 3.99 -0.02 -1.26 -0.37 135.00 135.84 2dsm n PRO 31 Ca -0.02 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.54 2dsm n PRO 31 Cb 0.59 -1.42 0.11 0.00 -0.02 0.00 0.00 33.50 32.77 2dsm n PRO 31 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2dsm n VAL 32 N -0.89 1.67 -4.79 -1.45 0.24 -1.26 -5.00 118.33 106.85 2dsm n VAL 32 Ca 0.00 -1.90 -0.33 0.00 -2.04 0.00 0.00 64.34 60.07 2dsm n VAL 32 Cb 0.00 -0.04 -0.13 0.00 -1.47 0.00 0.00 33.84 32.21 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 -2.30 4.21 -0.33 -1.34 1.01 0.50 -5.09 116.67 113.34 2dsm s ASP 33 Ca 0.24 -0.17 -0.29 0.00 0.71 0.00 0.00 52.55 53.05 2dsm s ASP 33 Cb 0.21 -1.08 0.02 0.00 1.01 0.00 0.00 42.92 43.08 2dsm s ASP 33 CO 0.03 0.32 1.06 -1.81 0.21 0.00 0.00 175.17 174.98 2dsm s ASP 34 N -0.55 6.90 0.22 0.27 1.11 -1.26 -4.82 116.67 118.54 2dsm s ASP 34 Ca 0.08 0.99 0.02 0.00 0.18 0.00 0.00 52.55 53.82 2dsm s ASP 34 Cb -0.12 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 2dsm s ASP 34 CO 0.02 -0.89 0.04 -0.72 1.18 0.00 0.00 175.17 174.80 2dsm s TYR 35 N 3.66 1.45 -0.01 4.23 1.13 -1.26 -2.21 117.35 124.33 2dsm s TYR 35 Ca 0.45 -1.06 0.02 0.00 -1.41 0.00 0.00 57.07 55.07 2dsm s TYR 35 Cb -0.12 -0.84 0.00 0.00 -1.10 0.00 0.00 41.96 39.90 2dsm s TYR 35 CO 0.16 -0.21 -0.05 0.08 -2.51 0.00 0.00 175.55 173.02 2dsm s VAL 36 N -3.62 0.44 -0.32 -3.49 1.01 0.08 -4.89 120.40 109.61 2dsm s VAL 36 Ca 0.31 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 2dsm s VAL 36 Cb 0.07 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 36.06 2dsm s VAL 36 CO 0.09 0.14 0.13 -0.63 0.00 0.00 0.00 175.10 174.83 2dsm s ILE 37 N 0.04 4.26 -0.94 2.22 1.01 -1.26 -0.84 121.20 125.69 2dsm s ILE 37 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 2dsm s ILE 37 Cb -0.04 -3.23 0.19 0.00 0.01 0.00 0.00 42.46 39.39 2dsm s ILE 37 CO -0.00 0.01 1.00 -0.62 0.00 0.00 0.00 174.94 175.33 2dsm s ASP 38 N 1.54 6.83 0.00 3.58 2.15 0.65 -4.47 116.67 126.95 2dsm s ASP 38 Ca 0.03 -2.63 0.00 0.00 0.43 0.00 0.00 52.55 50.38 2dsm s ASP 38 Cb -0.18 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2dsm s ASP 38 CO 0.04 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 174.94 2dsm n GLY 39 N 4.33 2.84 0.00 2.66 0.00 -1.26 -2.75 105.19 111.00 2dsm n GLY 39 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.76 3.71 -0.02 0.00 -1.26 -4.31 105.19 102.07 2dsm n GLY 40 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.49 -0.07 1.61 2.02 -1.11 -5.04 118.70 120.59 2dsm s GLU 41 Ca 0.00 1.10 -0.21 0.00 0.02 0.00 0.00 54.97 55.88 2dsm s GLU 41 Cb 0.00 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 2dsm s GLU 41 CO 0.00 0.03 0.59 0.42 0.02 0.00 0.00 175.26 176.32 2dsm s ILE 42 N 0.85 5.08 -0.02 -1.63 1.01 -1.26 -0.25 121.20 124.97 2dsm s ILE 42 Ca 0.43 1.21 0.02 0.00 0.00 0.00 0.00 60.65 62.31 2dsm s ILE 42 Cb -0.19 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.35 2dsm s ILE 42 CO 0.22 0.32 -0.06 -0.63 0.00 0.00 0.00 174.94 174.79 2dsm s ILE 43 N 0.52 0.52 0.41 2.92 1.09 -0.02 0.39 121.20 127.03 2dsm s ILE 43 Ca 0.32 -0.21 -0.24 0.00 -1.10 0.00 0.00 60.65 59.41 2dsm s ILE 43 Cb -0.17 -0.48 -0.09 0.00 -1.06 0.00 0.00 42.46 40.67 2dsm s ILE 43 CO 0.15 0.18 1.07 -0.22 -0.10 0.00 0.00 174.94 176.02 2dsm s LEU 44 N 0.26 4.11 0.65 2.97 0.20 -1.26 -0.74 118.68 124.86 2dsm s LEU 44 Ca -0.03 2.09 0.35 0.00 0.69 0.00 0.00 54.13 57.23 2dsm s LEU 44 Cb -0.07 -4.20 1.92 0.00 -0.43 0.00 0.00 46.19 43.40 2dsm s LEU 44 CO -0.00 -0.58 2.12 0.03 -0.29 0.00 0.00 176.35 177.63 2dsm h ARG 45 N 2.39 0.00 -0.20 1.98 2.47 -1.79 0.20 114.38 119.43 2dsm h ARG 45 Ca -0.48 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.04 2dsm h ARG 45 Cb 1.22 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.55 2dsm h ARG 45 CO 0.62 0.00 -0.64 1.49 0.56 0.00 0.00 179.97 181.99 2dsm h GLU 46 N 0.00 0.79 -0.01 0.04 4.57 -1.91 -3.13 114.58 114.93 2dsm h GLU 46 Ca 0.03 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 2dsm h GLU 46 Cb 0.40 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2dsm h GLU 46 CO -0.00 1.20 -0.06 0.09 -1.18 0.00 0.00 179.01 179.06 2dsm n ASN 47 N -4.01 1.25 -0.25 1.04 3.02 0.54 -4.10 115.26 112.75 2dsm n ASN 47 Ca -0.06 -1.29 -0.07 0.00 -0.03 0.00 0.00 54.58 53.13 2dsm n ASN 47 Cb 0.68 0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.92 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 1.87 1.03 -0.06 3.41 7.12 -1.04 -3.13 115.31 124.51 2dsm h LEU 48 Ca 0.00 -0.21 0.04 0.00 0.13 0.00 0.00 57.88 57.84 2dsm h LEU 48 Cb 0.46 -0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 40.27 2dsm h LEU 48 CO 0.00 0.97 -0.34 -0.08 -0.13 0.00 0.00 178.44 178.86 2dsm h GLU 49 N 1.04 -0.44 -0.38 1.25 4.57 -1.74 0.96 114.58 119.84 2dsm h GLU 49 Ca 0.23 0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.38 2dsm h GLU 49 Cb 0.32 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2dsm h GLU 49 CO -0.01 -0.29 -0.01 -0.09 -1.18 0.00 0.00 179.01 177.43 2dsm h ARG 50 N -0.46 0.60 -0.15 1.92 9.65 -1.86 -2.05 114.38 122.03 2dsm h ARG 50 Ca 0.07 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 2dsm h ARG 50 Cb 0.57 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2dsm h ARG 50 CO -0.31 0.64 -0.08 -0.92 2.80 0.00 0.00 179.97 182.09 2dsm h TYR 51 N 0.57 0.38 0.00 2.20 3.20 -1.26 -2.20 116.97 119.85 2dsm h TYR 51 Ca 0.12 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2dsm h TYR 51 Cb 0.38 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2dsm h TYR 51 CO 0.02 0.66 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.92 2dsm h LEU 52 N -0.01 0.00 -0.44 2.82 3.38 -0.73 0.12 115.31 120.44 2dsm h LEU 52 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 2dsm h LEU 52 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dsm h LEU 52 CO 0.02 0.20 -0.74 -0.09 0.09 0.00 0.00 178.44 177.93 2dsm h ARG 53 N 0.00 0.29 0.00 1.13 2.43 -1.09 -3.18 114.38 113.97 2dsm h ARG 53 Ca -0.00 -0.25 -0.22 0.00 -0.81 0.00 0.00 59.98 58.69 2dsm h ARG 53 Cb 0.48 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2dsm h ARG 53 CO 0.03 0.91 -1.28 0.39 -1.51 0.00 0.00 179.97 178.50 2dsm n GLU 54 N -3.80 0.56 -0.01 0.20 4.71 -0.85 -4.84 120.64 116.60 2dsm n GLU 54 Ca -0.04 0.55 -0.01 0.00 -0.01 0.00 0.00 57.16 57.66 2dsm n GLU 54 Cb 0.71 -1.72 -0.00 0.00 -1.01 0.00 0.00 31.44 29.42 2dsm n GLU 54 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2dsm n GLN 55 N -4.44 0.07 -3.48 3.49 7.27 0.37 -4.91 117.38 115.76 2dsm n GLN 55 Ca -0.31 0.28 -0.22 0.00 0.07 0.00 0.00 57.00 56.82 2dsm n GLN 55 Cb 0.65 -0.89 -0.04 0.00 2.41 0.00 0.00 30.24 32.37 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 -2.65 -0.43 -0.02 1.69 0.00 -1.20 -4.74 117.00 109.65 2dsm n LEU 56 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 56.01 55.55 2dsm n LEU 56 Cb 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 43.42 42.22 2dsm n LEU 56 CO 0.02 0.05 0.29 0.61 0.00 0.00 0.00 177.39 178.36 2dsm n GLY 57 N -0.78 -1.88 7.00 -3.96 0.00 -1.26 -5.13 105.19 99.18 2dsm n GLY 57 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.09 -0.79 -3.37 1.61 3.72 -1.26 -4.06 117.46 113.22 2dsm n PHE 58 Ca 0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 2dsm n PHE 58 Cb 0.47 0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 39.12 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 2.93 -0.83 -1.08 2.56 -1.26 -4.72 118.70 116.29 2dsm s GLU 59 Ca 0.00 -1.58 -0.15 0.00 0.00 0.00 0.00 54.97 53.24 2dsm s GLU 59 Cb 0.00 -4.19 0.20 0.00 2.00 0.00 0.00 34.13 32.14 2dsm s GLU 59 CO 0.00 -1.20 0.82 0.12 -0.56 0.00 0.00 175.26 174.45 2dsm s PHE 60 N 1.59 3.62 0.25 5.30 5.36 -1.26 -5.02 117.98 127.83 2dsm s PHE 60 Ca 0.04 -1.85 -0.16 0.00 -0.96 0.00 0.00 56.93 53.99 2dsm s PHE 60 Cb -0.27 -3.91 -0.08 0.00 -0.34 0.00 0.00 43.02 38.42 2dsm s PHE 60 CO 0.04 -1.09 0.70 0.15 -1.46 0.00 0.00 175.22 173.56 2dsm s LYS 61 N 0.69 4.09 0.00 10.12 -0.14 -1.26 -5.09 119.74 128.16 2dsm s LYS 61 Ca 0.20 0.70 0.08 0.00 -1.36 0.00 0.00 55.97 55.59 2dsm s LYS 61 Cb -0.10 -2.69 -0.02 0.00 -1.68 0.00 0.00 37.83 33.34 2dsm s LYS 61 CO -0.08 0.30 -0.25 -0.80 -0.76 0.00 0.00 175.35 173.76 2dsm s ASN 62 N -1.96 3.23 0.04 2.83 0.01 -1.26 -5.01 114.94 112.82 2dsm s ASN 62 Ca 0.47 -0.48 0.15 0.00 -0.71 0.00 0.00 52.86 52.28 2dsm s ASN 62 Cb -0.13 -0.39 0.63 0.00 0.41 0.00 0.00 41.25 41.76 2dsm s ASN 62 CO 0.19 0.30 1.46 0.00 -1.51 0.00 0.00 177.10 177.54 2dsm n ALA 63 N 2.15 1.60 -3.45 0.60 0.00 -1.26 -4.86 120.51 115.29 2dsm n ALA 63 Ca -0.16 -0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 2dsm n ALA 63 Cb 0.51 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.80 2dsm n ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dsm n GLN 64 N -1.61 -6.97 -0.94 0.00 1.13 -1.26 -4.91 117.38 102.82 2dsm n GLN 64 Ca 0.03 0.76 -0.07 0.00 -1.94 0.00 0.00 57.00 55.78 2dsm n GLN 64 Cb 0.16 -5.59 0.25 0.00 0.11 0.00 0.00 30.24 25.18 2dsm n GLN 64 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2dsm n LEU 65 N -4.42 5.52 -4.56 1.08 7.94 -1.26 -4.92 117.00 116.38 2dsm n LEU 65 Ca -0.06 -3.40 -0.29 0.00 -1.11 0.00 0.00 56.01 51.15 2dsm n LEU 65 Cb 0.58 -0.72 -0.05 0.00 0.53 0.00 0.00 43.42 43.77 2dsm n LEU 65 CO 0.58 0.94 1.47 -1.61 -1.11 0.00 0.00 177.39 177.66 2dsm s GLU 66 N -3.09 2.39 -0.38 1.96 2.02 -1.26 -4.74 118.70 115.59 2dsm s GLU 66 Ca 0.52 0.26 0.13 0.00 0.02 0.00 0.00 54.97 55.89 2dsm s GLU 66 Cb 0.43 -4.77 0.39 0.00 0.10 0.00 0.00 34.13 30.28 2dsm s GLU 66 CO 0.09 -3.34 0.87 0.72 0.02 0.00 0.00 175.26 173.62 2dsm n HIS 67 N 14.52 1.30 -3.44 1.61 8.25 -1.26 -5.04 115.22 131.16 2dsm n HIS 67 Ca 0.35 -3.41 -0.44 0.00 -0.26 0.00 0.00 57.72 53.96 2dsm n HIS 67 Cb 0.49 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 2dsm n HIS 67 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2dsm s HIS 68 N -2.91 3.60 -0.09 4.41 5.04 -1.26 -4.74 115.29 119.34 2dsm s HIS 68 Ca 0.37 -2.08 0.13 0.00 -1.54 0.00 0.00 55.06 51.94 2dsm s HIS 68 Cb 0.39 -3.64 0.20 0.00 0.04 0.00 0.00 32.58 29.56 2dsm s HIS 68 CO -0.06 -0.96 1.09 0.72 -2.34 0.00 0.00 174.74 173.19 2dsm n HIS 69 N 4.07 0.00 -2.99 3.88 8.25 -1.26 -5.00 115.22 122.17 2dsm n HIS 69 Ca 0.08 -0.75 -0.44 0.00 -0.26 0.00 0.00 57.72 56.34 2dsm n HIS 69 Cb 0.44 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.39 2dsm n HIS 69 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2dsm s HIS 70 N -2.11 2.92 0.00 4.41 5.04 -1.26 -4.62 115.29 119.68 2dsm s HIS 70 Ca 0.22 -0.92 0.00 0.00 -1.54 0.00 0.00 55.06 52.82 2dsm s HIS 70 Cb 0.19 -4.16 0.00 0.00 0.04 0.00 0.00 32.58 28.65 2dsm s HIS 70 CO 0.02 -1.45 0.27 1.58 -2.34 0.00 0.00 174.74 172.82 2dsm n HIS 71 N 6.80 0.00 -0.19 3.88 -0.00 -1.26 -5.28 115.22 119.17 2dsm n HIS 71 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2dsm n HIS 71 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2dsm n HIS 71 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52