#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdf s VAL 2 N 0.00 1.89 -0.02 -3.33 1.01 -1.26 -2.07 120.40 116.61 1hdf s VAL 2 Ca 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1hdf s VAL 2 Cb 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1hdf s VAL 2 CO 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 175.10 175.31 1hdf s LYS 4 N 0.66 4.48 0.00 0.00 2.47 -1.26 -0.52 119.74 125.56 1hdf s LYS 4 Ca -0.07 1.36 0.00 0.00 -1.56 0.00 0.00 55.97 55.70 1hdf s LYS 4 Cb -0.10 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.77 1hdf s LYS 4 CO -0.01 -0.18 0.00 0.41 0.16 0.00 0.00 175.35 175.73 1hdf n GLY 5 N 3.03 -1.95 3.74 5.54 0.00 0.40 -4.95 105.19 110.99 1hdf n GLY 5 Ca 0.07 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1hdf n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hdf s VAL 6 N 0.00 1.51 -0.10 1.61 -7.23 -1.26 -4.86 120.40 110.07 1hdf s VAL 6 Ca 0.00 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 1hdf s VAL 6 Cb 0.00 -2.44 0.09 0.00 0.56 0.00 0.00 36.38 34.59 1hdf s VAL 6 CO 0.00 0.00 0.78 -0.55 -0.31 0.00 0.00 175.10 175.02 1hdf s SER 7 N -3.87 -0.58 0.22 4.85 0.15 -1.26 -5.00 113.70 108.21 1hdf s SER 7 Ca 0.18 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1hdf s SER 7 Cb 0.04 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1hdf s SER 7 CO 0.10 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1hdf n GLY 8 N 0.99 0.06 3.41 9.45 0.00 -1.26 -4.86 105.19 112.99 1hdf n GLY 8 Ca -0.16 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1hdf n GLY 8 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hdf s ASN 9 N -4.00 3.46 0.46 1.61 0.01 -1.26 -5.12 114.94 110.10 1hdf s ASN 9 Ca 0.00 -0.71 -0.25 0.00 -0.71 0.00 0.00 52.86 51.19 1hdf s ASN 9 Cb 0.00 -0.30 -0.08 0.00 0.41 0.00 0.00 41.25 41.28 1hdf s ASN 9 CO 0.00 0.18 1.43 -2.65 -1.51 0.00 0.00 177.10 174.55 1hdf n PRO 10 N 0.87 2.23 -2.91 -0.60 -0.02 -1.26 -5.04 135.00 128.26 1hdf n PRO 10 Ca -0.17 0.79 -0.18 0.00 -2.02 0.00 0.00 63.50 61.92 1hdf n PRO 10 Cb 0.53 -2.63 0.02 0.00 -0.02 0.00 0.00 33.50 31.40 1hdf n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hdf s ALA 11 N -1.20 4.36 0.11 3.55 0.00 -1.26 -4.37 121.76 122.95 1hdf s ALA 11 Ca 0.62 -1.59 -0.36 0.00 0.00 0.00 0.00 51.96 50.63 1hdf s ALA 11 Cb -0.45 -1.75 -0.17 0.00 0.00 0.00 0.00 23.12 20.76 1hdf s ALA 11 CO 0.57 -0.41 1.29 1.17 0.00 0.00 0.00 175.76 178.37 1hdf n LYS 12 N -1.99 1.12 -0.80 0.00 4.81 -1.26 -0.83 118.16 119.21 1hdf n LYS 12 Ca 0.08 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1hdf n LYS 12 Cb 0.59 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.64 1hdf n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hdf n GLY 13 N 2.37 0.71 3.43 3.14 0.00 -1.26 -4.99 105.19 108.58 1hdf n GLY 13 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1hdf n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hdf s GLU 14 N -0.20 1.53 -0.04 1.61 2.02 -0.01 -4.27 118.70 119.35 1hdf s GLU 14 Ca 0.00 -1.33 0.01 0.00 0.02 0.00 0.00 54.97 53.67 1hdf s GLU 14 Cb 0.00 -1.96 0.02 0.00 0.10 0.00 0.00 34.13 32.30 1hdf s GLU 14 CO 0.00 0.45 -0.04 0.08 0.02 0.00 0.00 175.26 175.77 1hdf s VAL 15 N -1.18 0.46 -0.24 2.63 1.01 0.09 -1.79 120.40 121.37 1hdf s VAL 15 Ca 0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 1hdf s VAL 15 Cb -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1hdf s VAL 15 CO 0.08 0.20 0.10 -0.36 0.00 0.00 0.00 175.10 175.12 1hdf s PHE 16 N 0.88 3.17 -0.14 5.22 0.08 -0.24 -0.18 117.98 126.77 1hdf s PHE 16 Ca -0.11 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 1hdf s PHE 16 Cb -0.14 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 1hdf s PHE 16 CO -0.00 -0.16 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.35 1hdf s LEU 17 N 1.30 2.88 -0.04 -0.37 1.43 -0.05 -1.59 118.68 122.24 1hdf s LEU 17 Ca 0.06 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1hdf s LEU 17 Cb -0.15 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1hdf s LEU 17 CO 0.05 0.16 -0.25 -0.31 0.23 0.00 0.00 176.35 176.23 1hdf s TYR 18 N 0.38 2.39 0.28 0.29 1.51 -0.65 -0.59 117.35 120.97 1hdf s TYR 18 Ca -0.08 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1hdf s TYR 18 Cb -0.15 -1.55 0.42 0.00 -0.11 0.00 0.00 41.96 40.57 1hdf s TYR 18 CO 0.05 -0.10 1.76 -0.22 -1.11 0.00 0.00 175.55 175.92 1hdf h LYS 19 N 5.72 0.60 -6.13 -0.62 3.64 -0.85 0.15 116.57 119.08 1hdf h LYS 19 Ca -0.39 -0.18 -0.53 0.00 -1.27 0.00 0.00 60.65 58.28 1hdf h LYS 19 Cb 1.14 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 1hdf h LYS 19 CO 0.47 0.71 -0.51 -1.01 -2.27 0.00 0.00 179.45 176.84 1hdf s HIS 20 N -4.76 2.78 0.89 1.91 3.76 -0.40 -3.36 115.29 116.10 1hdf s HIS 20 Ca -0.08 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 1hdf s HIS 20 Cb 0.14 -1.68 0.12 0.00 1.11 0.00 0.00 32.58 32.28 1hdf s HIS 20 CO 0.79 0.30 1.09 0.14 -0.85 0.00 0.00 174.74 176.21 1hdf s VAL 21 N -2.38 2.70 -1.65 -0.90 -7.23 -1.26 -3.32 120.40 106.36 1hdf s VAL 21 Ca 0.39 0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 60.77 1hdf s VAL 21 Cb -0.04 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1hdf s VAL 21 CO 0.24 -0.30 0.14 0.59 -0.31 0.00 0.00 175.10 175.46 1hdf n ASN 22 N -3.89 -5.75 -3.47 4.85 3.02 0.47 -2.95 115.26 107.54 1hdf n ASN 22 Ca 0.07 -0.08 -0.24 0.00 -0.03 0.00 0.00 54.58 54.30 1hdf n ASN 22 Cb 0.55 -4.73 0.06 0.00 -0.61 0.00 0.00 39.78 35.05 1hdf n ASN 22 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1hdf n PHE 23 N -4.13 -2.61 -3.87 3.10 3.72 -1.24 -5.02 117.46 107.42 1hdf n PHE 23 Ca -0.21 0.88 -0.24 0.00 -0.05 0.00 0.00 57.45 57.83 1hdf n PHE 23 Cb 0.66 -4.82 -0.04 0.00 -0.94 0.00 0.00 39.48 34.35 1hdf n PHE 23 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1hdf s GLN 24 N -6.18 2.34 1.86 -1.08 -1.52 -1.15 -5.00 119.66 108.93 1hdf s GLN 24 Ca 0.52 -1.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.13 1hdf s GLN 24 Cb -0.23 -2.15 0.00 0.00 -0.22 0.00 0.00 33.01 30.41 1hdf s GLN 24 CO 0.64 -0.31 0.00 0.41 -0.25 0.00 0.00 175.29 175.78 1hdf n GLY 25 N -1.52 -1.36 3.73 3.09 0.00 -1.26 -1.28 105.19 106.60 1hdf n GLY 25 Ca 0.00 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 1hdf n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hdf n ASP 26 N -0.22 2.96 -4.12 1.61 8.00 -1.26 -4.68 116.55 118.84 1hdf n ASP 26 Ca 0.00 1.12 -0.12 0.00 0.71 0.00 0.00 54.79 56.50 1hdf n ASP 26 Cb 0.00 -1.55 -0.11 0.00 -0.02 0.00 0.00 41.12 39.44 1hdf n ASP 26 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1hdf s SER 27 N -0.49 1.01 -0.02 -2.24 1.04 -1.26 -0.57 113.70 111.18 1hdf s SER 27 Ca 0.61 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 1hdf s SER 27 Cb -0.48 0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.71 1hdf s SER 27 CO 0.58 -0.34 0.04 0.26 0.98 0.00 0.00 173.24 174.76 1hdf s TRP 28 N -2.53 -0.04 -0.23 5.02 0.51 0.24 0.15 118.94 122.07 1hdf s TRP 28 Ca 0.01 0.11 -0.08 0.00 -2.12 0.00 0.00 56.10 54.02 1hdf s TRP 28 Cb -0.02 -0.01 -0.04 0.00 -0.81 0.00 0.00 33.47 32.59 1hdf s TRP 28 CO -0.02 -0.03 0.09 0.21 -0.51 0.00 0.00 176.95 176.69 1hdf s LYS 29 N 0.14 3.82 0.02 4.98 2.20 0.32 -0.87 119.74 130.35 1hdf s LYS 29 Ca -0.01 -0.40 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 1hdf s LYS 29 Cb -0.02 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1hdf s LYS 29 CO -0.00 -0.02 -0.25 0.08 -0.36 0.00 0.00 175.35 174.79 1hdf s VAL 30 N 1.20 2.04 0.11 4.02 1.01 0.75 -1.32 120.40 128.21 1hdf s VAL 30 Ca 0.05 -1.25 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1hdf s VAL 30 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1hdf s VAL 30 CO 0.04 0.43 -0.08 0.42 0.00 0.00 0.00 175.10 175.92 1hdf s THR 31 N -0.72 0.86 0.00 3.92 -4.23 -0.88 -0.74 115.64 113.86 1hdf s THR 31 Ca 0.11 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1hdf s THR 31 Cb -0.10 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1hdf s THR 31 CO 0.01 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 1hdf n GLY 32 N -0.07 0.04 3.77 3.99 0.00 -1.26 -2.80 105.19 108.85 1hdf n GLY 32 Ca -0.12 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 1hdf n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hdf s ASN 33 N -4.00 5.35 -0.23 1.61 0.01 -1.26 -3.11 114.94 113.31 1hdf s ASN 33 Ca 0.00 -0.19 -0.03 0.00 -0.71 0.00 0.00 52.86 51.93 1hdf s ASN 33 Cb 0.00 -1.34 0.07 0.00 0.41 0.00 0.00 41.25 40.39 1hdf s ASN 33 CO 0.00 0.07 0.07 -0.69 -1.51 0.00 0.00 177.10 175.05 1hdf s VAL 34 N -1.75 0.37 -1.58 1.60 1.01 -1.26 -4.90 120.40 113.89 1hdf s VAL 34 Ca 0.30 -0.69 0.29 0.00 0.00 0.00 0.00 61.98 61.89 1hdf s VAL 34 Cb -0.10 -1.06 0.47 0.00 0.00 0.00 0.00 36.38 35.69 1hdf s VAL 34 CO 0.22 -0.41 1.91 0.00 0.00 0.00 0.00 175.10 176.82 1hdf n TYR 35 N 5.09 0.00 -3.25 5.22 0.18 -1.26 -4.44 117.16 118.70 1hdf n TYR 35 Ca -0.07 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.67 1hdf n TYR 35 Cb 0.46 -0.21 -0.04 0.00 -0.38 0.00 0.00 39.34 39.17 1hdf n TYR 35 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1hdf s ASP 36 N -2.51 -0.44 0.39 9.48 -1.08 -1.25 0.11 116.67 121.37 1hdf s ASP 36 Ca 0.29 -0.38 0.20 0.00 -0.52 0.00 0.00 52.55 52.14 1hdf s ASP 36 Cb 0.20 1.47 1.08 0.00 -1.46 0.00 0.00 42.92 44.21 1hdf s ASP 36 CO 0.47 -0.30 1.56 -0.26 0.52 0.00 0.00 175.17 177.16 1hdf h PHE 37 N 7.84 0.00 0.00 -5.34 -1.00 -0.93 -0.85 116.94 116.66 1hdf h PHE 37 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1hdf h PHE 37 Cb 1.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.70 1hdf h PHE 37 CO 0.26 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.50 1hdf n ARG 38 N -2.29 0.19 0.00 1.51 1.74 -1.26 -2.04 116.66 114.52 1hdf n ARG 38 Ca -0.01 0.42 0.09 0.00 -0.77 0.00 0.00 57.85 57.58 1hdf n ARG 38 Cb 0.22 -1.87 0.42 0.00 -1.02 0.00 0.00 32.46 30.21 1hdf n ARG 38 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1hdf n SER 39 N -2.23 0.02 -4.19 0.55 3.41 -0.32 -4.39 113.62 106.47 1hdf n SER 39 Ca 0.02 0.50 -0.35 0.00 -0.26 0.00 0.00 58.87 58.79 1hdf n SER 39 Cb 0.23 -0.51 -0.14 0.00 -0.26 0.00 0.00 64.21 63.53 1hdf n SER 39 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hdf s VAL 40 N -3.01 2.95 -0.01 -3.33 1.01 -0.87 -5.07 120.40 112.07 1hdf s VAL 40 Ca 0.09 -1.22 -0.37 0.00 0.00 0.00 0.00 61.98 60.49 1hdf s VAL 40 Cb 0.13 -2.61 -0.16 0.00 0.00 0.00 0.00 36.38 33.75 1hdf s VAL 40 CO 0.36 0.03 1.53 -0.24 0.00 0.00 0.00 175.10 176.78 1hdf n SER 41 N 4.64 2.21 -0.39 3.32 2.88 -1.26 -1.62 113.62 123.40 1hdf n SER 41 Ca -0.15 1.09 -0.05 0.00 -1.33 0.00 0.00 58.87 58.43 1hdf n SER 41 Cb 0.45 -1.23 -0.02 0.00 -0.75 0.00 0.00 64.21 62.66 1hdf n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hdf n GLY 42 N 3.26 0.63 0.12 0.46 0.00 -1.26 -4.88 105.19 103.52 1hdf n GLY 42 Ca 0.21 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1hdf n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hdf h LEU 43 N 0.00 0.24 -9.43 0.99 6.46 -1.52 -3.45 115.31 108.61 1hdf h LEU 43 Ca -0.10 -0.76 -0.61 0.00 -0.12 0.00 0.00 57.88 56.29 1hdf h LEU 43 Cb 0.76 -0.08 0.05 0.00 -0.73 0.00 0.00 40.66 40.66 1hdf h LEU 43 CO 0.15 1.66 0.78 -3.20 -0.62 0.00 0.00 178.44 177.21 1hdf n ASN 44 N -3.96 2.87 -2.16 1.25 4.05 -1.24 -2.98 115.26 113.09 1hdf n ASN 44 Ca -0.30 1.08 -0.20 0.00 0.45 0.00 0.00 54.58 55.60 1hdf n ASN 44 Cb 0.87 -1.37 -0.03 0.00 1.23 0.00 0.00 39.78 40.48 1hdf n ASN 44 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1hdf n ASP 45 N 3.72 -5.70 0.00 1.20 8.00 -0.90 -4.87 116.55 118.00 1hdf n ASP 45 Ca 0.18 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1hdf n ASP 45 Cb 0.27 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.54 1hdf n ASP 45 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1hdf n VAL 46 N -3.49 0.00 -1.99 2.53 0.24 -1.16 -3.84 118.33 110.62 1hdf n VAL 46 Ca -0.23 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 1hdf n VAL 46 Cb 0.68 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 34.01 1hdf n VAL 46 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1hdf s VAL 47 N -0.84 2.71 0.00 3.34 1.01 -1.26 -4.44 120.40 120.93 1hdf s VAL 47 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1hdf s VAL 47 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1hdf s VAL 47 CO 0.00 0.06 0.00 -1.20 0.00 0.00 0.00 175.10 173.96 1hdf n SER 48 N 3.30 4.58 -3.96 3.32 7.64 0.50 -2.07 113.62 126.93 1hdf n SER 48 Ca 0.11 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.90 1hdf n SER 48 Cb 0.40 0.81 -0.10 0.00 -1.01 0.00 0.00 64.21 64.31 1hdf n SER 48 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hdf s SER 49 N -2.06 0.22 0.02 6.43 1.04 -1.07 0.12 113.70 118.41 1hdf s SER 49 Ca 0.00 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 1hdf s SER 49 Cb 0.00 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1hdf s SER 49 CO 0.00 -0.41 0.02 -0.69 0.98 0.00 0.00 173.24 173.14 1hdf s VAL 50 N -2.11 0.12 -0.04 5.02 1.01 -0.59 -1.63 120.40 122.18 1hdf s VAL 50 Ca -0.10 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1hdf s VAL 50 Cb -0.05 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.84 1hdf s VAL 50 CO -0.03 -0.55 -0.06 -0.54 0.00 0.00 0.00 175.10 173.93 1hdf s LYS 51 N -1.86 0.89 -0.09 2.72 1.02 -0.62 -1.02 119.74 120.78 1hdf s LYS 51 Ca -0.12 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.74 1hdf s LYS 51 Cb -0.06 -0.86 -0.01 0.00 -0.52 0.00 0.00 37.83 36.37 1hdf s LYS 51 CO -0.02 -0.03 -0.18 0.08 -0.92 0.00 0.00 175.35 174.28 1hdf s VAL 52 N 0.73 2.69 0.97 3.17 1.01 0.18 -1.08 120.40 128.07 1hdf s VAL 52 Ca -0.10 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1hdf s VAL 52 Cb -0.13 -2.06 0.17 0.00 0.00 0.00 0.00 36.38 34.36 1hdf s VAL 52 CO 0.01 0.56 1.13 -0.83 0.00 0.00 0.00 175.10 175.96 1hdf s GLY 53 N -0.04 1.58 0.78 4.51 0.00 -0.74 -1.51 107.32 111.90 1hdf s GLY 53 Ca -0.05 -0.56 -0.14 0.00 0.00 0.00 0.00 44.72 43.98 1hdf s GLY 53 CO 0.04 0.06 1.20 2.56 0.00 0.00 0.00 173.10 176.96 1hdf s PRO 54 N -5.23 1.83 -1.64 2.90 0.04 -1.26 -1.86 135.00 129.77 1hdf s PRO 54 Ca 0.65 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 63.31 1hdf s PRO 54 Cb -0.15 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.69 1hdf s PRO 54 CO 0.55 -2.06 0.42 0.09 0.04 0.00 0.00 177.00 176.04 1hdf n ASN 55 N -3.13 -1.01 -3.78 6.66 5.03 -1.26 -4.17 115.26 113.59 1hdf n ASN 55 Ca 0.13 -1.15 -0.13 0.00 0.87 0.00 0.00 54.58 54.30 1hdf n ASN 55 Cb 0.51 -2.17 -0.13 0.00 -1.02 0.00 0.00 39.78 36.97 1hdf n ASN 55 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1hdf s THR 56 N -3.76 -0.02 -0.00 3.41 2.01 -1.17 -2.70 115.64 113.42 1hdf s THR 56 Ca 0.39 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.52 1hdf s THR 56 Cb -0.22 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 1hdf s THR 56 CO 0.97 0.02 -0.23 -0.75 -0.69 0.00 0.00 174.62 173.94 1hdf s LYS 57 N 0.50 2.09 0.03 4.92 2.47 0.14 -1.74 119.74 128.15 1hdf s LYS 57 Ca -0.03 -0.94 0.06 0.00 -1.56 0.00 0.00 55.97 53.49 1hdf s LYS 57 Cb -0.05 -2.10 -0.02 0.00 -1.46 0.00 0.00 37.83 34.20 1hdf s LYS 57 CO -0.02 0.56 -0.17 0.00 0.16 0.00 0.00 175.35 175.87 1hdf s ALA 58 N -0.72 1.47 -0.16 3.13 0.00 -0.65 -1.04 121.76 123.80 1hdf s ALA 58 Ca 0.11 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 1hdf s ALA 58 Cb -0.10 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1hdf s ALA 58 CO 0.01 0.32 -0.07 -0.06 0.00 0.00 0.00 175.76 175.96 1hdf s PHE 59 N -0.73 1.72 -0.17 0.00 0.40 -0.01 -0.07 117.98 119.13 1hdf s PHE 59 Ca 0.05 -1.05 -0.04 0.00 -0.60 0.00 0.00 56.93 55.29 1hdf s PHE 59 Cb -0.08 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1hdf s PHE 59 CO 0.01 -0.61 -0.02 0.96 0.70 0.00 0.00 175.22 176.27 1hdf s ILE 60 N 1.63 4.01 0.08 0.64 -4.36 -1.08 -0.73 121.20 121.39 1hdf s ILE 60 Ca 0.02 -0.31 0.06 0.00 -0.26 0.00 0.00 60.65 60.16 1hdf s ILE 60 Cb -0.15 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 1hdf s ILE 60 CO -0.08 0.47 -0.08 -0.36 0.24 0.00 0.00 174.94 175.13 1hdf s PHE 61 N 0.55 2.81 0.23 1.37 0.40 -0.26 -2.70 117.98 120.38 1hdf s PHE 61 Ca -0.02 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1hdf s PHE 61 Cb -0.14 -1.48 0.24 0.00 0.51 0.00 0.00 43.02 42.15 1hdf s PHE 61 CO 0.02 0.42 1.58 -0.22 0.70 0.00 0.00 175.22 177.72 1hdf h LYS 62 N 3.78 0.39 -5.97 0.44 3.64 -0.99 0.11 116.57 117.96 1hdf h LYS 62 Ca -0.48 -0.23 -0.55 0.00 -1.27 0.00 0.00 60.65 58.11 1hdf h LYS 62 Cb 1.17 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1hdf h LYS 62 CO 0.54 0.81 -0.49 -0.51 -2.27 0.00 0.00 179.45 177.53 1hdf s ASP 63 N -6.89 4.54 1.00 4.20 1.01 -0.92 -3.51 116.67 116.10 1hdf s ASP 63 Ca -0.06 -0.98 -0.13 0.00 0.71 0.00 0.00 52.55 52.09 1hdf s ASP 63 Cb 0.12 -0.54 0.19 0.00 1.01 0.00 0.00 42.92 43.70 1hdf s ASP 63 CO 0.81 -0.50 1.12 1.51 0.21 0.00 0.00 175.17 178.31 1hdf s ASP 64 N -3.92 2.68 -1.33 0.27 -4.77 -1.26 -3.49 116.67 104.84 1hdf s ASP 64 Ca 0.41 1.00 -0.04 0.00 -3.30 0.00 0.00 52.55 50.62 1hdf s ASP 64 Cb 0.02 -1.56 0.02 0.00 -1.09 0.00 0.00 42.92 40.31 1hdf s ASP 64 CO 0.23 -3.08 0.29 0.54 0.70 0.00 0.00 175.17 173.86 1hdf n ARG 65 N -4.11 -3.15 -3.67 2.11 1.74 0.30 -2.31 116.66 107.57 1hdf n ARG 65 Ca 0.07 0.68 -0.26 0.00 -0.77 0.00 0.00 57.85 57.57 1hdf n ARG 65 Cb 0.58 -5.39 0.05 0.00 -1.02 0.00 0.00 32.46 26.69 1hdf n ARG 65 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1hdf n PHE 66 N -3.90 -2.58 -3.65 -1.55 3.72 -1.25 -5.01 117.46 103.25 1hdf n PHE 66 Ca -0.11 0.93 -0.23 0.00 -0.05 0.00 0.00 57.45 57.99 1hdf n PHE 66 Cb 0.60 -4.54 -0.02 0.00 -0.94 0.00 0.00 39.48 34.58 1hdf n PHE 66 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1hdf s ASN 67 N -3.25 4.89 0.26 4.37 0.01 -0.98 -5.02 114.94 115.22 1hdf s ASN 67 Ca 0.60 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1hdf s ASN 67 Cb -0.28 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.17 1hdf s ASN 67 CO 0.74 -0.83 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 1hdf n GLY 68 N -1.65 -1.89 3.76 0.66 0.00 -1.26 -2.16 105.19 102.65 1hdf n GLY 68 Ca 0.03 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 1hdf n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hdf s ASN 69 N -4.04 5.52 0.18 1.61 2.47 -1.26 -4.62 114.94 114.80 1hdf s ASN 69 Ca 0.00 2.81 -0.20 0.00 0.42 0.00 0.00 52.86 55.89 1hdf s ASN 69 Cb 0.00 -2.64 0.04 0.00 -1.45 0.00 0.00 41.25 37.20 1hdf s ASN 69 CO 0.00 -1.40 0.54 0.72 -3.72 0.00 0.00 177.10 173.24 1hdf s PHE 70 N -1.27 -0.30 0.05 0.43 -0.71 -1.26 -0.70 117.98 114.22 1hdf s PHE 70 Ca 0.67 -0.00 -0.02 0.00 -1.04 0.00 0.00 56.93 56.54 1hdf s PHE 70 Cb -0.41 0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 1hdf s PHE 70 CO 0.50 -0.88 -0.00 0.96 -1.34 0.00 0.00 175.22 174.47 1hdf s ILE 71 N -3.82 0.20 -0.10 -4.49 -4.36 -1.10 -5.00 121.20 102.54 1hdf s ILE 71 Ca 0.05 -1.67 -0.10 0.00 -0.26 0.00 0.00 60.65 58.67 1hdf s ILE 71 Cb -0.01 -1.41 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 1hdf s ILE 71 CO -0.08 -0.92 0.21 -0.60 0.24 0.00 0.00 174.94 173.79 1hdf s ARG 72 N -3.73 3.68 -0.17 0.37 3.52 -1.26 -2.62 118.95 118.74 1hdf s ARG 72 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 55.73 55.65 1hdf s ARG 72 Cb 0.06 -3.24 -0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1hdf s ARG 72 CO -0.09 0.67 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.43 1hdf s LEU 73 N -0.79 2.57 0.74 -0.88 1.43 0.90 -4.98 118.68 117.67 1hdf s LEU 73 Ca 0.16 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1hdf s LEU 73 Cb -0.13 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.53 1hdf s LEU 73 CO 0.06 0.06 1.08 -1.61 0.23 0.00 0.00 176.35 176.17 1hdf s GLU 74 N 0.96 2.50 0.66 1.70 0.41 -1.26 -1.64 118.70 122.03 1hdf s GLU 74 Ca -0.02 1.14 -0.17 0.00 -0.41 0.00 0.00 54.97 55.50 1hdf s GLU 74 Cb -0.15 -1.93 -0.01 0.00 -1.78 0.00 0.00 34.13 30.26 1hdf s GLU 74 CO -0.02 -1.45 1.12 -0.85 -0.49 0.00 0.00 175.26 173.58 1hdf n GLU 75 N -3.28 0.88 -3.63 1.61 0.00 -0.71 -2.68 120.64 112.83 1hdf n GLU 75 Ca 0.09 0.35 -0.27 0.00 0.00 0.00 0.00 57.16 57.33 1hdf n GLU 75 Cb 0.53 -2.36 -0.01 0.00 0.00 0.00 0.00 31.44 29.60 1hdf n GLU 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1hdf n SER 76 N -1.58 -3.41 -4.74 -1.84 7.64 -0.57 -4.91 113.62 104.22 1hdf n SER 76 Ca 0.15 -0.56 -0.28 0.00 1.01 0.00 0.00 58.87 59.18 1hdf n SER 76 Cb 0.48 -2.82 -0.07 0.00 -1.01 0.00 0.00 64.21 60.79 1hdf n SER 76 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hdf s SER 77 N -2.87 4.22 -0.18 6.43 1.04 -1.09 -4.94 113.70 116.31 1hdf s SER 77 Ca 0.50 -1.35 -0.28 0.00 0.48 0.00 0.00 55.95 55.30 1hdf s SER 77 Cb -0.27 -0.04 0.10 0.00 0.10 0.00 0.00 66.02 65.91 1hdf s SER 77 CO 0.62 -0.69 0.86 0.00 0.98 0.00 0.00 173.24 175.02 1hdf s GLN 78 N -3.90 0.75 -0.21 4.02 -2.07 -1.26 -0.65 119.66 116.35 1hdf s GLN 78 Ca 0.28 0.46 0.01 0.00 -1.82 0.00 0.00 55.36 54.30 1hdf s GLN 78 Cb 0.04 0.36 0.04 0.00 -1.09 0.00 0.00 33.01 32.36 1hdf s GLN 78 CO 0.15 -0.18 -0.13 0.54 -1.32 0.00 0.00 175.29 174.36 1hdf s VAL 79 N -0.50 1.85 0.25 3.63 0.11 -0.19 -4.98 120.40 120.58 1hdf s VAL 79 Ca -0.03 -1.12 0.19 0.00 -2.93 0.00 0.00 61.98 58.09 1hdf s VAL 79 Cb -0.02 -1.87 0.16 0.00 -1.53 0.00 0.00 36.38 33.11 1hdf s VAL 79 CO 0.02 0.22 1.81 0.71 -3.33 0.00 0.00 175.10 174.53 1hdf h THR 80 N 6.36 0.89 -2.50 5.04 1.35 -1.87 -1.57 112.91 120.61 1hdf h THR 80 Ca -0.30 -1.30 -0.36 0.00 -0.55 0.00 0.00 66.41 63.89 1hdf h THR 80 Cb 1.10 1.78 -0.36 0.00 -1.73 0.00 0.00 68.15 68.93 1hdf h THR 80 CO 0.51 0.32 -0.66 -0.62 -0.25 0.00 0.00 175.52 174.82 1hdf s ASP 81 N -6.47 1.86 0.40 5.36 -1.08 -1.25 -0.39 116.67 115.10 1hdf s ASP 81 Ca -0.01 -0.56 0.28 0.00 -0.52 0.00 0.00 52.55 51.74 1hdf s ASP 81 Cb 0.12 0.26 1.44 0.00 -1.46 0.00 0.00 42.92 43.28 1hdf s ASP 81 CO 0.67 -0.36 1.84 -0.07 0.52 0.00 0.00 175.17 177.77 1hdf h LEU 82 N 8.32 0.00 -1.61 -1.34 3.38 -0.57 -2.13 115.31 121.37 1hdf h LEU 82 Ca -0.16 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1hdf h LEU 82 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1hdf h LEU 82 CO 0.32 0.00 0.32 0.71 0.09 0.00 0.00 178.44 179.88 1hdf h THR 83 N 0.00 1.02 0.00 0.22 1.35 -1.88 0.67 112.91 114.30 1hdf h THR 83 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1hdf h THR 83 Cb 0.07 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 1hdf h THR 83 CO 0.00 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.36 1hdf h THR 84 N 0.50 0.00 -0.04 6.82 1.03 -1.79 0.09 112.91 119.52 1hdf h THR 84 Ca 0.20 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.56 1hdf h THR 84 Cb 0.17 0.67 0.00 0.00 -1.07 0.00 0.00 68.15 67.92 1hdf h THR 84 CO -0.05 0.00 0.00 0.54 -0.01 0.00 0.00 175.52 176.00 1hdf n ARG 85 N -2.46 2.33 -3.77 0.00 5.12 0.18 -4.99 116.66 113.07 1hdf n ARG 85 Ca -0.01 -2.04 -0.27 0.00 -1.93 0.00 0.00 57.85 53.60 1hdf n ARG 85 Cb 0.07 -1.26 0.05 0.00 -1.16 0.00 0.00 32.46 30.15 1hdf n ARG 85 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1hdf n ASN 86 N -0.78 -4.90 -1.81 0.55 4.05 0.02 -4.90 115.26 107.48 1hdf n ASN 86 Ca 0.08 -0.70 0.03 0.00 0.45 0.00 0.00 54.58 54.45 1hdf n ASN 86 Cb 0.45 -4.34 0.03 0.00 1.23 0.00 0.00 39.78 37.15 1hdf n ASN 86 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1hdf n LEU 87 N -4.74 1.13 -4.75 1.20 4.77 -0.93 -5.02 117.00 108.66 1hdf n LEU 87 Ca -0.01 -2.23 -0.41 0.00 -0.03 0.00 0.00 56.01 53.33 1hdf n LEU 87 Cb 0.56 0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 1hdf n LEU 87 CO 0.71 0.62 0.79 0.21 -1.33 0.00 0.00 177.39 178.39 1hdf s ASN 88 N -2.41 7.29 -1.44 -1.43 3.04 -1.24 -3.65 114.94 115.10 1hdf s ASN 88 Ca 0.32 2.16 -0.05 0.00 0.04 0.00 0.00 52.86 55.34 1hdf s ASN 88 Cb 0.37 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 37.47 1hdf s ASN 88 CO -0.14 -0.16 0.28 0.47 -3.04 0.00 0.00 177.10 174.50 1hdf n ASP 89 N 1.80 -0.38 0.00 -4.21 8.00 -0.88 -4.81 116.55 116.08 1hdf n ASP 89 Ca 0.01 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1hdf n ASP 89 Cb 0.46 -2.28 0.00 0.00 -0.02 0.00 0.00 41.12 39.27 1hdf n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hdf n ALA 90 N -4.54 0.00 -1.79 2.24 0.00 -1.24 -4.52 120.51 110.65 1hdf n ALA 90 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 1hdf n ALA 90 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 1hdf n ALA 90 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hdf s ILE 91 N 0.00 2.25 0.00 0.00 1.01 -1.26 -4.49 121.20 118.71 1hdf s ILE 91 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1hdf s ILE 91 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1hdf s ILE 91 CO 0.00 0.04 0.08 -1.20 0.00 0.00 0.00 174.94 173.86 1hdf n SER 92 N 1.78 0.16 -2.75 3.58 7.64 0.37 -2.13 113.62 122.27 1hdf n SER 92 Ca 0.06 -0.57 -0.09 0.00 1.01 0.00 0.00 58.87 59.28 1hdf n SER 92 Cb 0.39 0.18 0.02 0.00 -1.01 0.00 0.00 64.21 63.79 1hdf n SER 92 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1hdf n SER 93 N -0.18 -2.11 -3.71 6.43 3.41 -1.20 -0.33 113.62 115.93 1hdf n SER 93 Ca 0.00 -2.58 -0.11 0.00 -0.26 0.00 0.00 58.87 55.92 1hdf n SER 93 Cb 0.08 3.55 -0.11 0.00 -0.26 0.00 0.00 64.21 67.47 1hdf n SER 93 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1hdf s ILE 95 N -2.22 -0.02 -0.28 -1.33 1.01 0.09 -1.10 121.20 117.35 1hdf s ILE 95 Ca 0.17 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.93 1hdf s ILE 95 Cb -0.04 -0.58 0.07 0.00 0.01 0.00 0.00 42.46 41.92 1hdf s ILE 95 CO 0.13 0.03 -0.06 -0.69 0.00 0.00 0.00 174.94 174.35 1hdf s VAL 96 N 1.16 2.11 0.01 2.92 1.01 -1.18 -0.83 120.40 125.60 1hdf s VAL 96 Ca -0.08 -1.79 0.07 0.00 0.00 0.00 0.00 61.98 60.18 1hdf s VAL 96 Cb -0.07 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1hdf s VAL 96 CO -0.10 -0.21 -0.21 0.00 0.00 0.00 0.00 175.10 174.59 1hdf s ALA 97 N 1.09 2.45 0.46 5.51 0.00 -0.20 -4.31 121.76 126.75 1hdf s ALA 97 Ca -0.03 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1hdf s ALA 97 Cb -0.20 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1hdf s ALA 97 CO -0.06 0.55 0.10 0.95 0.00 0.00 0.00 175.76 177.29 1hdf s THR 98 N -0.79 1.75 0.15 0.00 -4.23 -1.26 0.23 115.64 111.49 1hdf s THR 98 Ca 0.12 -1.86 -0.25 0.00 -1.18 0.00 0.00 61.69 58.52 1hdf s THR 98 Cb -0.10 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 71.19 1hdf s THR 98 CO 0.02 0.00 0.84 0.72 -0.54 0.00 0.00 174.62 175.67 1hdf s PHE 99 N -2.75 -0.24 -2.64 3.99 -0.12 -1.10 -4.96 117.98 110.16 1hdf s PHE 99 Ca 0.26 -0.06 0.27 0.00 -0.05 0.00 0.00 56.93 57.35 1hdf s PHE 99 Cb 0.04 0.63 0.80 0.00 -0.63 0.00 0.00 43.02 43.86 1hdf s PHE 99 CO 0.14 -0.87 1.61 0.39 -0.05 0.00 0.00 175.22 176.44