#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwc s ILE 2 N 0.00 1.20 0.12 1.12 1.01 -1.26 -5.11 121.20 118.29 1fwc s ILE 2 Ca 0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 60.65 59.77 1fwc s ILE 2 Cb 0.00 -1.26 -0.15 0.00 0.01 0.00 0.00 42.46 41.06 1fwc s ILE 2 CO 0.00 0.29 1.48 -2.65 0.00 0.00 0.00 174.94 174.05 1fwc n PRO 3 N 4.87 1.69 -1.72 2.79 -0.02 -1.26 -2.22 135.00 139.14 1fwc n PRO 3 Ca -0.13 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 61.77 1fwc n PRO 3 Cb 0.49 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1fwc n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwc n GLY 4 N 3.03 1.34 3.76 -1.23 0.00 -1.26 -4.97 105.19 105.85 1fwc n GLY 4 Ca 0.18 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1fwc n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fwc s GLU 5 N -3.87 2.90 0.21 1.61 -1.05 -0.94 -5.03 118.70 112.53 1fwc s GLU 5 Ca 0.00 1.63 -0.02 0.00 -0.15 0.00 0.00 54.97 56.43 1fwc s GLU 5 Cb 0.00 -1.94 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 1fwc s GLU 5 CO 0.00 -1.21 0.42 0.71 0.95 0.00 0.00 175.26 176.12 1fwc s TYR 6 N -1.92 3.48 -0.53 4.83 4.12 -1.26 -5.04 117.35 121.02 1fwc s TYR 6 Ca 0.73 0.40 0.04 0.00 0.02 0.00 0.00 57.07 58.26 1fwc s TYR 6 Cb -0.25 -1.90 0.17 0.00 -1.52 0.00 0.00 41.96 38.46 1fwc s TYR 6 CO 0.36 0.35 0.40 -1.58 0.02 0.00 0.00 175.55 175.10 1fwc s HIS 7 N -1.89 2.14 -0.03 2.71 5.65 -1.26 -5.09 115.29 117.52 1fwc s HIS 7 Ca 0.39 -2.75 -0.30 0.00 0.25 0.00 0.00 55.06 52.66 1fwc s HIS 7 Cb -0.11 -1.68 -0.03 0.00 -1.18 0.00 0.00 32.58 29.58 1fwc s HIS 7 CO 0.29 -0.71 1.10 0.08 -0.65 0.00 0.00 174.74 174.85 1fwc s VAL 8 N -0.56 4.49 0.22 0.89 1.01 -1.26 -5.02 120.40 120.16 1fwc s VAL 8 Ca 0.29 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.76 1fwc s VAL 8 Cb -0.00 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 1fwc s VAL 8 CO -0.18 0.07 1.06 -1.59 0.00 0.00 0.00 175.10 174.46 1fwc s LYS 9 N 1.60 4.66 0.66 2.72 -2.85 -1.26 -5.00 119.74 120.27 1fwc s LYS 9 Ca 0.54 1.69 -0.17 0.00 -1.00 0.00 0.00 55.97 57.03 1fwc s LYS 9 Cb -0.23 -3.26 -0.00 0.00 -2.06 0.00 0.00 37.83 32.28 1fwc s LYS 9 CO 0.24 0.20 1.24 -1.25 0.10 0.00 0.00 175.35 175.88 1fwc s PRO 10 N -0.82 2.53 0.00 1.78 0.04 -1.26 -4.93 135.00 132.34 1fwc s PRO 10 Ca 0.46 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1fwc s PRO 10 Cb -0.29 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1fwc s PRO 10 CO 0.36 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1fwc n GLY 11 N 0.61 0.80 3.09 0.56 0.00 -1.26 -5.13 105.19 103.86 1fwc n GLY 11 Ca 0.14 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 1fwc n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fwc s GLN 12 N -2.00 0.56 -0.16 1.61 -0.21 -1.26 -5.15 119.66 113.06 1fwc s GLN 12 Ca 0.00 -0.90 -0.03 0.00 0.02 0.00 0.00 55.36 54.45 1fwc s GLN 12 Cb 0.00 0.21 -0.02 0.00 1.00 0.00 0.00 33.01 34.20 1fwc s GLN 12 CO 0.00 -0.13 -0.05 0.42 -2.12 0.00 0.00 175.29 173.41 1fwc s ILE 13 N -2.93 3.69 -0.22 1.08 -1.09 -1.26 -5.09 121.20 115.38 1fwc s ILE 13 Ca -0.02 -0.43 -0.21 0.00 -2.23 0.00 0.00 60.65 57.76 1fwc s ILE 13 Cb 0.01 -2.61 -0.02 0.00 -1.58 0.00 0.00 42.46 38.26 1fwc s ILE 13 CO -0.06 0.49 0.65 0.00 -1.23 0.00 0.00 174.94 174.79 1fwc s ALA 14 N 0.47 3.57 0.12 9.38 0.00 -1.26 -5.06 121.76 128.99 1fwc s ALA 14 Ca -0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 1fwc s ALA 14 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1fwc s ALA 14 CO 0.03 -0.67 0.35 -0.51 0.00 0.00 0.00 175.76 174.97 1fwc s LEU 15 N 2.17 4.29 -1.51 0.00 1.43 -1.26 -4.57 118.68 119.24 1fwc s LEU 15 Ca 0.28 0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1fwc s LEU 15 Cb -0.16 -3.18 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1fwc s LEU 15 CO 0.10 0.09 0.16 0.59 0.23 0.00 0.00 176.35 177.52 1fwc n ASN 16 N 0.29 0.45 -4.78 2.29 5.03 -1.26 -4.90 115.26 112.38 1fwc n ASN 16 Ca -0.04 -1.18 -0.36 0.00 0.87 0.00 0.00 54.58 53.86 1fwc n ASN 16 Cb 0.52 -2.09 -0.02 0.00 -1.02 0.00 0.00 39.78 37.17 1fwc n ASN 16 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1fwc s THR 17 N -4.22 3.33 -0.72 3.41 -4.23 -1.26 -3.72 115.64 108.23 1fwc s THR 17 Ca 0.02 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 61.47 1fwc s THR 17 Cb -0.01 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1fwc s THR 17 CO 0.96 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.58 1fwc n GLY 18 N 0.25 0.36 3.18 3.99 0.00 -1.26 -5.04 105.19 106.67 1fwc n GLY 18 Ca 0.08 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 1fwc n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwc s ARG 19 N -3.81 1.13 0.31 1.61 0.52 -1.24 -5.12 118.95 112.34 1fwc s ARG 19 Ca 0.00 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.12 1fwc s ARG 19 Cb 0.00 -1.16 -0.11 0.00 0.52 0.00 0.00 34.95 34.19 1fwc s ARG 19 CO 0.00 0.30 1.58 0.00 0.02 0.00 0.00 175.30 177.20 1fwc s ALA 20 N -0.77 3.72 0.22 2.13 0.00 -1.26 -4.87 121.76 120.94 1fwc s ALA 20 Ca 0.04 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.61 1fwc s ALA 20 Cb -0.08 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 1fwc s ALA 20 CO 0.01 -1.00 0.02 0.95 0.00 0.00 0.00 175.76 175.74 1fwc s THR 21 N -0.18 0.82 -0.07 0.00 -4.23 -1.26 -1.01 115.64 109.71 1fwc s THR 21 Ca 0.62 -2.01 -0.31 0.00 -1.18 0.00 0.00 61.69 58.81 1fwc s THR 21 Cb -0.48 -2.36 0.07 0.00 1.34 0.00 0.00 72.50 71.08 1fwc s THR 21 CO 0.50 -0.29 0.70 0.00 -0.54 0.00 0.00 174.62 175.00 1fwc s ARG 23 N -1.10 3.07 -0.03 0.00 0.52 -1.26 0.19 118.95 120.34 1fwc s ARG 23 Ca -0.10 -0.43 -0.02 0.00 -0.52 0.00 0.00 55.73 54.66 1fwc s ARG 23 Cb -0.00 -2.87 0.01 0.00 0.52 0.00 0.00 34.95 32.60 1fwc s ARG 23 CO 0.09 0.67 0.07 0.08 0.02 0.00 0.00 175.30 176.23 1fwc s VAL 24 N -1.10 -0.01 -0.18 3.52 1.01 -0.19 -4.97 120.40 118.48 1fwc s VAL 24 Ca 0.20 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 1fwc s VAL 24 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1fwc s VAL 24 CO 0.10 0.01 0.58 -0.69 0.00 0.00 0.00 175.10 175.10 1fwc s VAL 25 N 0.15 5.07 0.00 2.92 1.01 -1.26 -0.62 120.40 127.68 1fwc s VAL 25 Ca -0.01 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.16 1fwc s VAL 25 Cb -0.02 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1fwc s VAL 25 CO -0.00 0.17 -0.25 -0.69 0.00 0.00 0.00 175.10 174.32 1fwc s VAL 26 N 1.57 2.02 -0.05 2.92 1.01 0.11 -4.56 120.40 123.41 1fwc s VAL 26 Ca 0.28 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1fwc s VAL 26 Cb -0.16 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1fwc s VAL 26 CO 0.11 0.48 -0.04 -0.70 0.00 0.00 0.00 175.10 174.95 1fwc s GLU 27 N -0.82 0.83 -0.47 2.72 2.12 -0.83 -0.58 118.70 121.66 1fwc s GLU 27 Ca 0.10 -0.08 -0.28 0.00 0.36 0.00 0.00 54.97 55.08 1fwc s GLU 27 Cb -0.10 -0.90 0.03 0.00 0.26 0.00 0.00 34.13 33.42 1fwc s GLU 27 CO 0.00 -0.13 1.05 1.21 -0.54 0.00 0.00 175.26 176.86 1fwc s ASN 28 N 1.14 6.58 0.00 -1.70 2.47 0.20 -0.51 114.94 123.11 1fwc s ASN 28 Ca -0.07 0.32 0.26 0.00 0.42 0.00 0.00 52.86 53.78 1fwc s ASN 28 Cb -0.14 -2.51 0.69 0.00 -1.45 0.00 0.00 41.25 37.84 1fwc s ASN 28 CO -0.01 -1.18 1.54 1.41 -3.72 0.00 0.00 177.10 175.14 1fwc n HIS 29 N 7.58 0.04 -2.24 0.43 8.25 -0.19 -0.55 115.22 128.54 1fwc n HIS 29 Ca 0.10 -0.02 -0.25 0.00 -0.26 0.00 0.00 57.72 57.28 1fwc n HIS 29 Cb 0.49 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.67 1fwc n HIS 29 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fwc s GLY 30 N -1.94 1.71 0.00 -1.41 0.00 -1.25 -4.91 107.32 99.52 1fwc s GLY 30 Ca 0.34 -1.02 0.23 0.00 0.00 0.00 0.00 44.72 44.26 1fwc s GLY 30 CO 0.32 -0.60 1.43 2.09 0.00 0.00 0.00 173.10 176.34 1fwc n ASP 31 N -2.92 3.24 -4.17 1.64 5.75 -1.26 -4.03 116.55 114.79 1fwc n ASP 31 Ca 0.09 -1.96 -0.20 0.00 -0.01 0.00 0.00 54.79 52.71 1fwc n ASP 31 Cb 0.60 -0.25 -0.13 0.00 -1.03 0.00 0.00 41.12 40.32 1fwc n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1fwc s ARG 32 N -1.51 0.92 0.55 0.11 0.52 -1.26 -4.83 118.95 113.45 1fwc s ARG 32 Ca 0.38 -0.88 -0.21 0.00 -0.52 0.00 0.00 55.73 54.51 1fwc s ARG 32 Cb 0.22 -0.95 -0.05 0.00 0.52 0.00 0.00 34.95 34.69 1fwc s ARG 32 CO 0.31 0.22 1.24 -1.25 0.02 0.00 0.00 175.30 175.84 1fwc s PRO 33 N -1.44 3.21 -0.05 3.54 0.04 -1.26 -4.45 135.00 134.58 1fwc s PRO 33 Ca 0.01 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.00 1fwc s PRO 33 Cb -0.09 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1fwc s PRO 33 CO 0.02 -1.04 -0.10 0.42 0.04 0.00 0.00 177.00 176.33 1fwc s ILE 34 N -1.50 0.97 -0.10 0.56 1.01 -0.28 -4.99 121.20 116.87 1fwc s ILE 34 Ca 0.72 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.01 1fwc s ILE 34 Cb -0.33 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.25 1fwc s ILE 34 CO 0.38 0.31 -0.18 -1.58 0.00 0.00 0.00 174.94 173.87 1fwc s GLN 35 N 0.62 2.45 -0.12 2.79 0.74 -1.26 0.20 119.66 125.08 1fwc s GLN 35 Ca -0.12 -0.66 -0.00 0.00 0.05 0.00 0.00 55.36 54.62 1fwc s GLN 35 Cb -0.14 -1.96 -0.02 0.00 1.10 0.00 0.00 33.01 31.98 1fwc s GLN 35 CO 0.02 0.04 -0.10 0.08 -0.55 0.00 0.00 175.29 174.79 1fwc s VAL 36 N 0.68 3.35 0.65 1.34 1.01 -0.15 -4.95 120.40 122.33 1fwc s VAL 36 Ca -0.13 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1fwc s VAL 36 Cb -0.16 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1fwc s VAL 36 CO 0.03 0.53 1.04 -0.83 0.00 0.00 0.00 175.10 175.88 1fwc s GLY 37 N 0.07 1.66 0.38 4.51 0.00 -1.26 -1.84 107.32 110.83 1fwc s GLY 37 Ca -0.03 -0.03 0.09 0.00 0.00 0.00 0.00 44.72 44.74 1fwc s GLY 37 CO 0.04 0.26 1.93 1.48 0.00 0.00 0.00 173.10 176.80 1fwc h SER 38 N -0.49 0.58 -0.48 1.64 4.64 -1.69 -2.96 113.55 114.78 1fwc h SER 38 Ca -0.44 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1fwc h SER 38 Cb 1.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1fwc h SER 38 CO 0.60 0.34 0.00 1.41 -0.87 0.00 0.00 176.83 178.31 1fwc n HIS 39 N -4.50 0.64 -2.48 4.77 8.25 -1.26 -3.02 115.22 117.62 1fwc n HIS 39 Ca 0.13 -0.47 -0.40 0.00 -0.26 0.00 0.00 57.72 56.72 1fwc n HIS 39 Cb 0.36 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 1fwc n HIS 39 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1fwc s TYR 40 N -1.02 3.58 -0.54 4.41 5.04 -1.12 -4.92 117.35 122.77 1fwc s TYR 40 Ca 0.33 1.70 -0.27 0.00 -2.44 0.00 0.00 57.07 56.40 1fwc s TYR 40 Cb 0.18 -3.27 -0.03 0.00 0.35 0.00 0.00 41.96 39.18 1fwc s TYR 40 CO 0.23 -0.53 1.93 -1.58 -1.34 0.00 0.00 175.55 174.26 1fwc s HIS 41 N -1.18 1.60 0.40 4.97 5.65 -1.26 -4.43 115.29 121.05 1fwc s HIS 41 Ca 0.45 0.87 0.17 0.00 0.25 0.00 0.00 55.06 56.80 1fwc s HIS 41 Cb -0.32 -4.02 1.07 0.00 -1.18 0.00 0.00 32.58 28.13 1fwc s HIS 41 CO 0.41 -2.45 1.82 0.35 -0.65 0.00 0.00 174.74 174.21 1fwc h PHE 42 N 15.24 0.62 0.00 3.88 3.57 -1.53 -0.67 116.94 138.04 1fwc h PHE 42 Ca -0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1fwc h PHE 42 Cb 1.18 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1fwc h PHE 42 CO 1.02 0.12 0.00 0.00 -2.23 0.00 0.00 178.31 177.22 1fwc h ALA 43 N 1.61 1.00 -0.23 2.41 0.00 -1.78 -2.67 119.26 119.61 1fwc h ALA 43 Ca 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1fwc h ALA 43 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1fwc h ALA 43 CO -0.23 0.00 -0.01 0.39 0.00 0.00 0.00 179.25 179.40 1fwc n GLU 44 N -2.55 2.51 -1.12 0.00 1.02 -0.26 -4.96 120.64 115.28 1fwc n GLU 44 Ca -0.01 -2.84 -0.29 0.00 -0.02 0.00 0.00 57.16 53.99 1fwc n GLU 44 Cb 0.12 -1.79 0.22 0.00 -0.02 0.00 0.00 31.44 29.97 1fwc n GLU 44 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1fwc s VAL 45 N -2.89 1.76 -0.13 2.62 -7.23 -1.01 -4.49 120.40 109.03 1fwc s VAL 45 Ca 0.41 0.00 -0.40 0.00 -1.81 0.00 0.00 61.98 60.18 1fwc s VAL 45 Cb 0.34 -2.49 -0.18 0.00 0.56 0.00 0.00 36.38 34.61 1fwc s VAL 45 CO 0.07 0.00 1.43 -3.20 -0.31 0.00 0.00 175.10 173.08 1fwc n ASN 46 N -4.54 1.36 0.33 4.85 2.85 -1.26 -4.82 115.26 114.03 1fwc n ASN 46 Ca 0.10 1.13 0.15 0.00 -0.11 0.00 0.00 54.58 55.85 1fwc n ASN 46 Cb 0.59 -1.06 0.78 0.00 1.24 0.00 0.00 39.78 41.33 1fwc n ASN 46 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1fwc h PRO 47 N 4.95 0.00 0.00 1.20 0.11 -1.99 -1.40 132.00 134.87 1fwc h PRO 47 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1fwc h PRO 47 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1fwc h PRO 47 CO 0.83 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 1fwc h ALA 48 N 1.27 1.00 -2.11 -0.75 0.00 -1.96 -3.41 119.26 113.30 1fwc h ALA 48 Ca 0.01 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.33 1fwc h ALA 48 Cb 0.75 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1fwc h ALA 48 CO -0.00 0.00 0.64 -0.51 0.00 0.00 0.00 179.25 179.38 1fwc s LEU 49 N -5.60 4.03 -0.25 0.00 1.43 -0.53 -1.02 118.68 116.74 1fwc s LEU 49 Ca 0.03 0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 53.94 1fwc s LEU 49 Cb 0.09 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 1fwc s LEU 49 CO 0.52 -0.72 0.30 -0.75 0.23 0.00 0.00 176.35 175.93 1fwc s LYS 50 N 3.26 4.05 0.21 1.70 2.20 0.33 -4.91 119.74 126.59 1fwc s LYS 50 Ca 0.39 -0.06 -0.21 0.00 -0.36 0.00 0.00 55.97 55.73 1fwc s LYS 50 Cb -0.14 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.65 1fwc s LYS 50 CO 0.12 -0.13 1.00 -0.59 -0.36 0.00 0.00 175.35 175.39 1fwc s PHE 51 N 1.61 0.07 -1.04 4.03 -0.12 -1.26 -1.97 117.98 119.30 1fwc s PHE 51 Ca 0.13 -0.50 -0.23 0.00 -0.05 0.00 0.00 56.93 56.28 1fwc s PHE 51 Cb -0.15 0.72 0.03 0.00 -0.63 0.00 0.00 43.02 42.99 1fwc s PHE 51 CO 0.08 -1.02 1.57 0.34 -0.05 0.00 0.00 175.22 176.14 1fwc s ASP 52 N -3.33 6.30 0.54 1.98 -1.08 -1.26 -4.79 116.67 115.03 1fwc s ASP 52 Ca 0.20 -1.45 0.21 0.00 -0.52 0.00 0.00 52.55 51.00 1fwc s ASP 52 Cb -0.03 -2.57 1.45 0.00 -1.46 0.00 0.00 42.92 40.31 1fwc s ASP 52 CO 0.06 -1.70 2.17 0.03 0.52 0.00 0.00 175.17 176.25 1fwc h ARG 53 N 9.78 0.00 -0.42 4.34 2.47 -1.97 -1.93 114.38 126.66 1fwc h ARG 53 Ca 0.21 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.82 1fwc h ARG 53 Cb 0.99 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.30 1fwc h ARG 53 CO 1.40 0.00 -0.18 0.37 0.56 0.00 0.00 179.97 182.11 1fwc h GLN 54 N 0.00 0.82 -0.17 0.04 4.15 -1.95 -2.98 115.11 115.02 1fwc h GLN 54 Ca 0.02 -0.32 -0.15 0.00 0.77 0.00 0.00 58.65 58.98 1fwc h GLN 54 Cb 0.10 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1fwc h GLN 54 CO -0.00 0.94 -0.52 0.37 -1.93 0.00 0.00 178.83 177.69 1fwc h GLN 55 N 0.72 0.48 0.00 1.69 5.75 -1.76 -3.13 115.11 118.87 1fwc h GLN 55 Ca 0.11 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 1fwc h GLN 55 Cb 0.70 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1fwc h GLN 55 CO 0.05 0.89 0.00 0.00 -2.65 0.00 0.00 178.83 177.12 1fwc n ALA 56 N -2.51 2.57 -1.82 3.38 0.00 -1.10 -4.88 120.51 116.16 1fwc n ALA 56 Ca -0.03 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1fwc n ALA 56 Cb 0.58 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1fwc n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fwc s ALA 57 N -2.00 3.29 0.00 0.00 0.00 -1.17 -1.93 121.76 119.95 1fwc s ALA 57 Ca 0.28 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1fwc s ALA 57 Cb 0.13 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1fwc s ALA 57 CO 0.22 -1.96 0.00 0.41 0.00 0.00 0.00 175.76 174.43 1fwc n GLY 58 N 4.82 0.59 3.56 0.00 0.00 -1.26 -5.02 105.19 107.89 1fwc n GLY 58 Ca 0.22 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1fwc n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwc s TYR 59 N -2.00 2.48 0.18 1.61 2.02 -0.81 -0.66 117.35 120.17 1fwc s TYR 59 Ca 0.00 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1fwc s TYR 59 Cb 0.00 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1fwc s TYR 59 CO 0.00 0.64 0.11 -0.98 -1.57 0.00 0.00 175.55 173.75 1fwc s ARG 60 N -3.61 1.11 0.23 -0.62 1.70 -0.45 -1.53 118.95 115.79 1fwc s ARG 60 Ca 0.31 -1.56 -0.30 0.00 -0.47 0.00 0.00 55.73 53.71 1fwc s ARG 60 Cb -0.04 0.26 -0.10 0.00 -0.57 0.00 0.00 34.95 34.50 1fwc s ARG 60 CO 0.18 -0.35 1.43 -0.51 -1.08 0.00 0.00 175.30 174.96 1fwc s LEU 61 N -3.12 4.39 -1.34 -1.89 1.43 -1.17 -0.42 118.68 116.56 1fwc s LEU 61 Ca 0.34 2.62 -0.09 0.00 -1.03 0.00 0.00 54.13 55.97 1fwc s LEU 61 Cb 0.07 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.79 1fwc s LEU 61 CO 0.09 -0.68 2.12 -3.20 0.23 0.00 0.00 176.35 174.90 1fwc n ASN 62 N 2.49 5.84 -4.26 2.29 2.85 -0.25 -4.67 115.26 119.55 1fwc n ASN 62 Ca 0.07 -3.04 -0.14 0.00 -0.11 0.00 0.00 54.58 51.36 1fwc n ASN 62 Cb 0.41 -1.48 -0.10 0.00 1.24 0.00 0.00 39.78 39.84 1fwc n ASN 62 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1fwc s ILE 63 N 0.57 1.10 0.29 -1.44 -4.36 -1.26 -4.94 121.20 111.16 1fwc s ILE 63 Ca 0.46 -2.05 -0.29 0.00 -0.26 0.00 0.00 60.65 58.51 1fwc s ILE 63 Cb 0.13 -1.92 -0.13 0.00 1.25 0.00 0.00 42.46 41.79 1fwc s ILE 63 CO -0.04 -0.69 1.30 -0.81 0.24 0.00 0.00 174.94 174.95 1fwc n PRO 64 N -0.22 1.99 -1.62 0.37 -0.04 -1.26 -4.85 135.00 129.37 1fwc n PRO 64 Ca -0.09 0.70 -0.51 0.00 -0.04 0.00 0.00 63.50 63.56 1fwc n PRO 64 Cb 0.61 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.73 1fwc n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fwc n ALA 65 N 0.97 -0.30 -0.04 0.55 0.00 -1.26 -1.82 120.51 118.62 1fwc n ALA 65 Ca 0.08 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1fwc n ALA 65 Cb 0.34 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1fwc n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwc n GLY 66 N 2.97 0.81 4.01 0.00 0.00 -1.26 -5.06 105.19 106.67 1fwc n GLY 66 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1fwc n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwc s THR 67 N -2.32 2.29 0.20 2.61 -4.23 -0.76 -4.90 115.64 108.54 1fwc s THR 67 Ca 0.00 -0.85 -0.07 0.00 -1.18 0.00 0.00 61.69 59.58 1fwc s THR 67 Cb 0.00 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1fwc s THR 67 CO 0.00 0.00 0.29 0.00 -0.54 0.00 0.00 174.62 174.37 1fwc s ALA 68 N -2.78 0.34 -0.12 3.99 0.00 -1.26 -1.87 121.76 120.07 1fwc s ALA 68 Ca 0.62 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1fwc s ALA 68 Cb -0.06 1.11 0.01 0.00 0.00 0.00 0.00 23.12 24.17 1fwc s ALA 68 CO 0.40 -0.70 -0.20 0.08 0.00 0.00 0.00 175.76 175.34 1fwc s VAL 69 N -4.05 1.86 -0.07 0.00 1.01 -0.77 -4.97 120.40 113.41 1fwc s VAL 69 Ca 0.27 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1fwc s VAL 69 Cb 0.03 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1fwc s VAL 69 CO 0.07 0.51 0.08 -0.60 0.00 0.00 0.00 175.10 175.16 1fwc s ARG 70 N 0.71 3.17 -0.23 2.72 3.52 -1.26 -0.98 118.95 126.60 1fwc s ARG 70 Ca -0.11 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.15 1fwc s ARG 70 Cb -0.16 -2.95 0.06 0.00 -1.56 0.00 0.00 34.95 30.34 1fwc s ARG 70 CO 0.02 0.71 -0.05 -0.06 -0.81 0.00 0.00 175.30 175.11 1fwc s PHE 71 N -1.05 2.34 0.72 5.12 0.08 0.13 -4.99 117.98 120.32 1fwc s PHE 71 Ca 0.17 -1.73 -0.11 0.00 0.12 0.00 0.00 56.93 55.39 1fwc s PHE 71 Cb -0.12 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1fwc s PHE 71 CO 0.07 -0.77 1.07 -1.21 -0.10 0.00 0.00 175.22 174.28 1fwc s GLU 72 N 1.42 2.76 0.14 0.44 0.41 -1.26 -1.12 118.70 121.48 1fwc s GLU 72 Ca -0.05 0.77 -0.34 0.00 -0.41 0.00 0.00 54.97 54.94 1fwc s GLU 72 Cb -0.19 -1.98 -0.14 0.00 -1.78 0.00 0.00 34.13 30.04 1fwc s GLU 72 CO -0.06 -1.18 1.55 -2.30 -0.49 0.00 0.00 175.26 172.78 1fwc n PRO 73 N -3.16 1.98 -0.37 0.39 -0.02 -1.26 -1.15 135.00 131.41 1fwc n PRO 73 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1fwc n PRO 73 Cb 0.55 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1fwc n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwc n GLY 74 N 3.31 2.06 3.75 -1.23 0.00 0.29 -5.00 105.19 108.36 1fwc n GLY 74 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1fwc n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fwc s GLN 75 N -0.07 4.48 -0.03 1.61 0.74 -0.30 -4.68 119.66 121.41 1fwc s GLN 75 Ca 0.00 1.96 0.06 0.00 0.05 0.00 0.00 55.36 57.43 1fwc s GLN 75 Cb 0.00 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.91 1fwc s GLN 75 CO 0.00 -0.08 -0.20 0.21 -0.55 0.00 0.00 175.29 174.67 1fwc s LYS 76 N -0.75 1.86 0.05 1.67 2.20 -1.26 -0.63 119.74 122.89 1fwc s LYS 76 Ca 0.51 -0.72 -0.27 0.00 -0.36 0.00 0.00 55.97 55.14 1fwc s LYS 76 Cb -0.35 -1.69 0.09 0.00 -1.51 0.00 0.00 37.83 34.37 1fwc s LYS 76 CO 0.41 0.36 0.76 -0.98 -0.36 0.00 0.00 175.35 175.54 1fwc s ARG 77 N -0.24 1.02 -0.21 4.03 1.70 0.25 -4.99 118.95 120.51 1fwc s ARG 77 Ca 0.02 -0.30 -0.10 0.00 -0.47 0.00 0.00 55.73 54.88 1fwc s ARG 77 Cb -0.10 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 1fwc s ARG 77 CO 0.01 -0.43 0.13 -2.00 -1.08 0.00 0.00 175.30 171.93 1fwc s GLU 78 N -3.10 4.13 0.18 3.89 2.12 -1.26 0.04 118.70 124.71 1fwc s GLU 78 Ca 0.02 -0.25 0.11 0.00 0.36 0.00 0.00 54.97 55.21 1fwc s GLU 78 Cb -0.01 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1fwc s GLU 78 CO -0.08 0.24 -0.23 0.14 -0.54 0.00 0.00 175.26 174.78 1fwc s VAL 79 N 0.53 2.42 -0.17 3.70 -7.23 0.21 -4.93 120.40 114.92 1fwc s VAL 79 Ca 0.07 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1fwc s VAL 79 Cb -0.12 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1fwc s VAL 79 CO -0.00 -0.09 0.06 -0.70 -0.31 0.00 0.00 175.10 174.06 1fwc s GLU 80 N -2.61 3.87 0.14 4.82 2.12 -1.26 -1.02 118.70 124.76 1fwc s GLU 80 Ca 0.20 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 55.26 1fwc s GLU 80 Cb -0.08 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1fwc s GLU 80 CO 0.10 0.33 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.63 1fwc s LEU 81 N 0.19 3.33 -0.02 2.70 1.02 0.13 -1.09 118.68 124.94 1fwc s LEU 81 Ca 0.04 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 53.90 1fwc s LEU 81 Cb -0.12 -2.02 -0.00 0.00 0.02 0.00 0.00 46.19 44.06 1fwc s LEU 81 CO 0.00 0.12 -0.12 0.54 0.02 0.00 0.00 176.35 176.92 1fwc s VAL 82 N -1.55 0.95 0.41 -1.59 0.11 0.44 -1.51 120.40 117.66 1fwc s VAL 82 Ca 0.26 -0.48 -0.26 0.00 -2.93 0.00 0.00 61.98 58.58 1fwc s VAL 82 Cb -0.10 -0.82 -0.08 0.00 -1.53 0.00 0.00 36.38 33.84 1fwc s VAL 82 CO 0.18 0.28 1.27 0.00 -3.33 0.00 0.00 175.10 173.51 1fwc s ALA 83 N -0.01 3.21 0.76 1.54 0.00 -0.18 -1.34 121.76 125.73 1fwc s ALA 83 Ca -0.00 1.18 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 1fwc s ALA 83 Cb -0.08 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.63 1fwc s ALA 83 CO 0.00 -0.79 1.16 -0.06 0.00 0.00 0.00 175.76 176.07 1fwc s PHE 84 N -1.30 2.17 0.00 0.00 0.08 0.17 -4.89 117.98 114.20 1fwc s PHE 84 Ca 0.58 1.62 0.00 0.00 0.12 0.00 0.00 56.93 59.25 1fwc s PHE 84 Cb -0.36 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 1fwc s PHE 84 CO 0.46 -2.32 0.00 0.00 -0.10 0.00 0.00 175.22 173.26 1fwc n ALA 85 N -3.09 0.00 -0.80 5.36 0.00 -1.26 -4.85 120.51 115.86 1fwc n ALA 85 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1fwc n ALA 85 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1fwc n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwc n GLY 86 N 3.91 2.88 0.00 0.00 0.00 -1.26 -1.29 105.19 109.42 1fwc n GLY 86 Ca 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1fwc n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwc n HIS 87 N 13.61 0.00 -3.55 1.61 8.25 -1.26 -4.93 115.22 128.94 1fwc n HIS 87 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1fwc n HIS 87 Cb 0.00 -0.41 0.05 0.00 1.12 0.00 0.00 29.99 30.75 1fwc n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fwc n ARG 88 N -1.50 -4.00 -4.60 -0.41 1.74 -0.41 -4.77 116.66 102.72 1fwc n ARG 88 Ca 0.07 0.68 -0.31 0.00 -0.77 0.00 0.00 57.85 57.52 1fwc n ARG 88 Cb 0.34 -5.26 -0.17 0.00 -1.02 0.00 0.00 32.46 26.36 1fwc n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fwc s ALA 89 N -3.52 2.01 -0.24 7.54 0.00 -1.26 -0.39 121.76 125.89 1fwc s ALA 89 Ca 0.18 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 1fwc s ALA 89 Cb -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1fwc s ALA 89 CO 0.79 -0.04 0.04 0.08 0.00 0.00 0.00 175.76 176.63 1fwc s VAL 90 N 0.87 4.06 -0.04 0.00 1.01 0.36 -4.92 120.40 121.74 1fwc s VAL 90 Ca -0.07 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1fwc s VAL 90 Cb -0.15 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1fwc s VAL 90 CO -0.01 0.35 -0.12 -0.36 0.00 0.00 0.00 175.10 174.96 1fwc s PHE 91 N 1.58 1.28 0.00 5.22 0.40 -1.26 -0.83 117.98 124.37 1fwc s PHE 91 Ca 0.06 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1fwc s PHE 91 Cb -0.15 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.47 1fwc s PHE 91 CO 0.02 -0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.18 1fwc n GLY 92 N 3.44 0.33 7.00 4.36 0.00 -1.26 -5.00 105.19 114.06 1fwc n GLY 92 Ca -0.20 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1fwc n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fwc n PHE 93 N 0.00 0.00 0.00 1.61 3.01 -1.26 -0.70 117.46 120.12 1fwc n PHE 93 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1fwc n PHE 93 Cb 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 39.74 1fwc n PHE 93 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1fwc n ARG 94 N 14.00 2.66 -2.17 -1.08 1.74 -1.26 -4.94 116.66 125.61 1fwc n ARG 94 Ca 0.00 -2.21 -0.14 0.00 -0.77 0.00 0.00 57.85 54.73 1fwc n ARG 94 Cb 0.00 -1.57 -0.01 0.00 -1.02 0.00 0.00 32.46 29.86 1fwc n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwc n GLY 95 N 1.30 -0.01 0.07 -0.13 0.00 0.12 -4.94 105.19 101.60 1fwc n GLY 95 Ca 0.20 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1fwc n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fwc h GLU 96 N 0.00 0.03 0.00 1.61 5.08 -1.92 -3.41 114.58 115.96 1fwc h GLU 96 Ca -0.33 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.92 1fwc h GLU 96 Cb 1.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1fwc h GLU 96 CO 0.40 0.95 -0.90 1.55 -1.00 0.00 0.00 179.01 180.02 1fwc n VAL 97 N -3.33 1.31 -3.90 3.13 3.14 -1.26 -5.03 118.33 112.39 1fwc n VAL 97 Ca -0.03 0.14 -0.26 0.00 -2.96 0.00 0.00 64.34 61.23 1fwc n VAL 97 Cb 0.96 -2.00 -0.00 0.00 -1.06 0.00 0.00 33.84 31.74 1fwc n VAL 97 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1fwc n MET 98 N -4.03 -3.93 -3.40 1.45 2.81 -0.50 -4.88 117.12 104.63 1fwc n MET 98 Ca -0.14 0.48 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1fwc n MET 98 Cb 0.41 -4.84 0.00 0.00 -0.71 0.00 0.00 33.22 28.08 1fwc n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fwc n GLY 99 N -1.80 -1.40 3.77 3.03 0.00 -0.01 -4.94 105.19 103.84 1fwc n GLY 99 Ca -0.25 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 1fwc n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwc s PRO 100 N -1.03 3.93 0.00 1.61 0.04 -1.26 -0.48 135.00 137.80 1fwc s PRO 100 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1fwc s PRO 100 Cb 0.00 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1fwc s PRO 100 CO 0.00 -0.48 0.00 -0.11 0.04 0.00 0.00 177.00 176.45