#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwa s ILE 2 N 0.00 0.94 0.08 1.12 1.01 -1.26 -5.11 121.20 117.99 1fwa s ILE 2 Ca 0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 60.65 59.84 1fwa s ILE 2 Cb 0.00 -1.11 -0.16 0.00 0.01 0.00 0.00 42.46 41.20 1fwa s ILE 2 CO 0.00 0.17 1.44 -2.65 0.00 0.00 0.00 174.94 173.90 1fwa n PRO 3 N 4.94 1.46 -1.80 2.79 -0.02 -1.26 -2.20 135.00 138.92 1fwa n PRO 3 Ca -0.11 0.53 -0.19 0.00 -2.02 0.00 0.00 63.50 61.71 1fwa n PRO 3 Cb 0.48 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1fwa n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwa n GLY 4 N 2.91 1.12 3.77 -1.23 0.00 -1.26 -4.97 105.19 105.52 1fwa n GLY 4 Ca 0.18 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1fwa n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fwa s GLU 5 N -4.01 3.14 0.24 1.61 -1.05 -0.93 -5.03 118.70 112.67 1fwa s GLU 5 Ca 0.00 1.59 -0.04 0.00 -0.15 0.00 0.00 54.97 56.37 1fwa s GLU 5 Cb 0.00 -1.98 -0.05 0.00 -0.44 0.00 0.00 34.13 31.66 1fwa s GLU 5 CO 0.00 -1.02 0.49 0.71 0.95 0.00 0.00 175.26 176.39 1fwa s TYR 6 N -1.89 3.47 -0.52 4.83 4.12 -1.26 -5.04 117.35 121.07 1fwa s TYR 6 Ca 0.72 0.56 0.04 0.00 0.02 0.00 0.00 57.07 58.41 1fwa s TYR 6 Cb -0.24 -2.03 0.16 0.00 -1.52 0.00 0.00 41.96 38.33 1fwa s TYR 6 CO 0.32 0.27 0.38 -1.58 0.02 0.00 0.00 175.55 174.95 1fwa s HIS 7 N -1.95 2.05 0.01 2.71 5.65 -1.26 -5.09 115.29 117.39 1fwa s HIS 7 Ca 0.42 -2.67 -0.30 0.00 0.25 0.00 0.00 55.06 52.76 1fwa s HIS 7 Cb -0.11 -1.65 -0.03 0.00 -1.18 0.00 0.00 32.58 29.61 1fwa s HIS 7 CO 0.28 -0.72 1.02 0.08 -0.65 0.00 0.00 174.74 174.75 1fwa s VAL 8 N -0.41 4.72 0.24 0.89 1.01 -1.26 -5.03 120.40 120.56 1fwa s VAL 8 Ca 0.28 1.96 -0.30 0.00 0.00 0.00 0.00 61.98 63.92 1fwa s VAL 8 Cb -0.03 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1fwa s VAL 8 CO -0.16 0.14 1.04 -1.59 0.00 0.00 0.00 175.10 174.53 1fwa s LYS 9 N 1.07 4.71 0.63 2.72 -2.85 -1.26 -5.00 119.74 119.76 1fwa s LYS 9 Ca 0.53 1.66 -0.18 0.00 -1.00 0.00 0.00 55.97 56.99 1fwa s LYS 9 Cb -0.22 -3.25 -0.01 0.00 -2.06 0.00 0.00 37.83 32.29 1fwa s LYS 9 CO 0.28 0.29 1.21 -1.25 0.10 0.00 0.00 175.35 175.97 1fwa s PRO 10 N -1.06 2.73 0.00 1.78 0.04 -1.26 -4.93 135.00 132.29 1fwa s PRO 10 Ca 0.44 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1fwa s PRO 10 Cb -0.29 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1fwa s PRO 10 CO 0.36 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1fwa n GLY 11 N 0.44 0.71 3.09 0.56 0.00 -1.26 -5.13 105.19 103.60 1fwa n GLY 11 Ca 0.14 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1fwa n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fwa s GLN 12 N -2.00 0.57 -0.15 1.61 -0.21 -1.26 -5.15 119.66 113.07 1fwa s GLN 12 Ca 0.00 -0.88 -0.03 0.00 0.02 0.00 0.00 55.36 54.48 1fwa s GLN 12 Cb 0.00 0.21 -0.02 0.00 1.00 0.00 0.00 33.01 34.20 1fwa s GLN 12 CO 0.00 -0.13 -0.07 0.42 -2.12 0.00 0.00 175.29 173.39 1fwa s ILE 13 N -2.88 3.62 -0.16 1.08 -1.09 -1.26 -5.09 121.20 115.42 1fwa s ILE 13 Ca -0.03 -0.45 -0.20 0.00 -2.23 0.00 0.00 60.65 57.74 1fwa s ILE 13 Cb 0.00 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.28 1fwa s ILE 13 CO -0.06 0.50 0.58 0.00 -1.23 0.00 0.00 174.94 174.73 1fwa s ALA 14 N 0.37 3.50 0.03 9.38 0.00 -1.26 -5.06 121.76 128.72 1fwa s ALA 14 Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 1fwa s ALA 14 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1fwa s ALA 14 CO 0.04 -0.34 0.23 -0.51 0.00 0.00 0.00 175.76 175.17 1fwa s LEU 15 N 1.41 4.36 -1.43 0.00 1.43 -1.26 -4.60 118.68 118.60 1fwa s LEU 15 Ca 0.28 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.74 1fwa s LEU 15 Cb -0.16 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1fwa s LEU 15 CO 0.11 0.21 0.30 0.59 0.23 0.00 0.00 176.35 177.80 1fwa n ASN 16 N 0.72 -0.50 -4.79 2.29 5.03 -1.26 -4.91 115.26 111.84 1fwa n ASN 16 Ca -0.08 -1.14 -0.35 0.00 0.87 0.00 0.00 54.58 53.88 1fwa n ASN 16 Cb 0.52 -2.38 -0.02 0.00 -1.02 0.00 0.00 39.78 36.88 1fwa n ASN 16 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1fwa s THR 17 N -4.05 3.55 -0.90 3.41 -4.23 -1.26 -3.77 115.64 108.39 1fwa s THR 17 Ca 0.08 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 1fwa s THR 17 Cb -0.04 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1fwa s THR 17 CO 0.94 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1fwa n GLY 18 N -0.06 0.20 3.15 3.99 0.00 -1.26 -5.03 105.19 106.17 1fwa n GLY 18 Ca 0.10 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1fwa n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwa s ARG 19 N -4.16 1.09 0.32 1.61 0.52 -1.25 -5.12 118.95 111.96 1fwa s ARG 19 Ca 0.00 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.20 1fwa s ARG 19 Cb 0.00 -1.10 -0.12 0.00 0.52 0.00 0.00 34.95 34.26 1fwa s ARG 19 CO 0.00 0.28 1.53 0.00 0.02 0.00 0.00 175.30 177.13 1fwa n ALA 20 N 2.14 2.33 -2.26 2.13 0.00 -1.26 -4.86 120.51 118.73 1fwa n ALA 20 Ca -0.17 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 1fwa n ALA 20 Cb 0.55 -2.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 1fwa n ALA 20 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fwa s THR 21 N -0.44 0.71 -0.10 0.00 -4.23 -1.26 -1.21 115.64 109.11 1fwa s THR 21 Ca 0.60 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.83 1fwa s THR 21 Cb -0.50 -2.20 0.07 0.00 1.34 0.00 0.00 72.50 71.20 1fwa s THR 21 CO 0.54 -0.40 0.69 0.00 -0.54 0.00 0.00 174.62 174.91 1fwa s ARG 23 N -0.83 3.19 -0.02 0.00 0.52 -1.26 0.19 118.95 120.73 1fwa s ARG 23 Ca -0.09 -0.35 -0.02 0.00 -0.52 0.00 0.00 55.73 54.76 1fwa s ARG 23 Cb -0.01 -2.96 0.01 0.00 0.52 0.00 0.00 34.95 32.51 1fwa s ARG 23 CO 0.08 0.70 0.05 0.08 0.02 0.00 0.00 175.30 176.23 1fwa s VAL 24 N -1.08 -0.00 -0.19 3.52 1.01 -0.24 -4.97 120.40 118.45 1fwa s VAL 24 Ca 0.19 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 1fwa s VAL 24 Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1fwa s VAL 24 CO 0.09 0.01 0.53 -0.69 0.00 0.00 0.00 175.10 175.03 1fwa s VAL 25 N 0.09 5.10 0.01 2.92 1.01 -1.26 -0.40 120.40 127.87 1fwa s VAL 25 Ca -0.01 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.04 1fwa s VAL 25 Cb -0.01 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1fwa s VAL 25 CO -0.00 0.18 -0.25 -0.69 0.00 0.00 0.00 175.10 174.34 1fwa s VAL 26 N 1.57 1.97 -0.05 2.92 1.01 0.82 -4.57 120.40 124.07 1fwa s VAL 26 Ca 0.25 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1fwa s VAL 26 Cb -0.15 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1fwa s VAL 26 CO 0.10 0.46 -0.04 -0.70 0.00 0.00 0.00 175.10 174.91 1fwa s GLU 27 N -0.84 0.84 -0.50 2.72 2.12 -0.74 -0.85 118.70 121.44 1fwa s GLU 27 Ca 0.10 -0.09 -0.27 0.00 0.36 0.00 0.00 54.97 55.07 1fwa s GLU 27 Cb -0.10 -0.89 0.03 0.00 0.26 0.00 0.00 34.13 33.43 1fwa s GLU 27 CO 0.00 -0.11 1.07 1.21 -0.54 0.00 0.00 175.26 176.89 1fwa s ASN 28 N 1.08 6.52 0.00 -1.70 2.47 0.27 -0.36 114.94 123.23 1fwa s ASN 28 Ca -0.08 0.20 0.25 0.00 0.42 0.00 0.00 52.86 53.65 1fwa s ASN 28 Cb -0.14 -2.51 0.72 0.00 -1.45 0.00 0.00 41.25 37.87 1fwa s ASN 28 CO -0.01 -1.25 1.55 1.41 -3.72 0.00 0.00 177.10 175.09 1fwa n HIS 29 N 7.76 0.09 -2.29 0.43 8.25 -0.25 -0.83 115.22 128.38 1fwa n HIS 29 Ca 0.09 -0.04 -0.25 0.00 -0.26 0.00 0.00 57.72 57.25 1fwa n HIS 29 Cb 0.49 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.67 1fwa n HIS 29 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fwa s GLY 30 N -1.87 1.72 0.00 -1.41 0.00 -1.25 -4.92 107.32 99.59 1fwa s GLY 30 Ca 0.34 -1.09 0.22 0.00 0.00 0.00 0.00 44.72 44.20 1fwa s GLY 30 CO 0.31 -0.66 1.49 2.09 0.00 0.00 0.00 173.10 176.32 1fwa n ASP 31 N -2.87 3.59 -4.07 1.64 5.75 -1.26 -4.07 116.55 115.26 1fwa n ASP 31 Ca 0.09 -1.99 -0.16 0.00 -0.01 0.00 0.00 54.79 52.72 1fwa n ASP 31 Cb 0.60 -0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 40.17 1fwa n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1fwa s ARG 32 N -1.20 0.63 0.63 0.11 0.52 -1.26 -4.85 118.95 113.52 1fwa s ARG 32 Ca 0.44 -0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 54.83 1fwa s ARG 32 Cb 0.24 -0.52 -0.02 0.00 0.52 0.00 0.00 34.95 35.17 1fwa s ARG 32 CO 0.32 0.12 1.24 -1.25 0.02 0.00 0.00 175.30 175.75 1fwa s PRO 33 N -1.14 2.74 -0.06 3.54 0.04 -1.26 -4.48 135.00 134.38 1fwa s PRO 33 Ca -0.04 1.92 0.01 0.00 0.04 0.00 0.00 61.00 62.93 1fwa s PRO 33 Cb -0.08 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1fwa s PRO 33 CO 0.01 -1.41 -0.07 0.42 0.04 0.00 0.00 177.00 175.98 1fwa s ILE 34 N -1.54 0.78 -0.11 0.56 1.01 -0.33 -5.00 121.20 116.57 1fwa s ILE 34 Ca 0.79 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 61.22 1fwa s ILE 34 Cb -0.33 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1fwa s ILE 34 CO 0.37 0.28 -0.20 -1.58 0.00 0.00 0.00 174.94 173.81 1fwa s GLN 35 N 0.91 2.68 -0.10 2.79 0.74 -1.26 0.11 119.66 125.52 1fwa s GLN 35 Ca -0.11 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 54.57 1fwa s GLN 35 Cb -0.15 -2.13 -0.02 0.00 1.10 0.00 0.00 33.01 31.81 1fwa s GLN 35 CO 0.01 0.04 -0.10 0.08 -0.55 0.00 0.00 175.29 174.77 1fwa s VAL 36 N 0.68 3.38 0.68 1.34 1.01 -0.26 -4.96 120.40 122.27 1fwa s VAL 36 Ca -0.12 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1fwa s VAL 36 Cb -0.16 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1fwa s VAL 36 CO 0.02 0.55 1.07 -0.83 0.00 0.00 0.00 175.10 175.92 1fwa s GLY 37 N -0.19 1.64 0.44 4.51 0.00 -1.26 -1.75 107.32 110.70 1fwa s GLY 37 Ca 0.01 -0.25 0.09 0.00 0.00 0.00 0.00 44.72 44.58 1fwa s GLY 37 CO 0.03 0.09 2.08 1.48 0.00 0.00 0.00 173.10 176.77 1fwa h SER 38 N -0.55 0.36 -0.39 1.64 4.64 -1.69 -3.13 113.55 114.44 1fwa h SER 38 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1fwa h SER 38 Cb 1.23 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1fwa h SER 38 CO 0.63 0.26 0.00 1.41 -0.87 0.00 0.00 176.83 178.26 1fwa n HIS 39 N -4.49 0.51 -2.45 4.77 8.25 -1.26 -3.14 115.22 117.41 1fwa n HIS 39 Ca 0.02 -0.41 -0.40 0.00 -0.26 0.00 0.00 57.72 56.67 1fwa n HIS 39 Cb 0.08 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 1fwa n HIS 39 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1fwa s TYR 40 N -1.05 3.50 -0.53 4.41 5.04 -1.18 -4.92 117.35 122.63 1fwa s TYR 40 Ca 0.29 1.67 -0.27 0.00 -2.44 0.00 0.00 57.07 56.32 1fwa s TYR 40 Cb 0.16 -3.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.13 1fwa s TYR 40 CO 0.21 -0.68 1.91 -1.58 -1.34 0.00 0.00 175.55 174.08 1fwa s HIS 41 N -1.21 1.62 0.38 4.97 5.65 -1.26 -4.44 115.29 121.00 1fwa s HIS 41 Ca 0.46 0.85 0.14 0.00 0.25 0.00 0.00 55.06 56.76 1fwa s HIS 41 Cb -0.32 -4.03 0.99 0.00 -1.18 0.00 0.00 32.58 28.03 1fwa s HIS 41 CO 0.41 -2.50 1.81 0.35 -0.65 0.00 0.00 174.74 174.16 1fwa h PHE 42 N 15.03 0.73 0.00 3.88 3.57 -1.46 -0.38 116.94 138.31 1fwa h PHE 42 Ca -0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1fwa h PHE 42 Cb 1.18 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1fwa h PHE 42 CO 1.01 0.15 0.00 0.00 -2.23 0.00 0.00 178.31 177.24 1fwa h ALA 43 N 1.62 1.00 -0.23 2.41 0.00 -1.77 -2.68 119.26 119.61 1fwa h ALA 43 Ca 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.39 1fwa h ALA 43 Cb 1.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1fwa h ALA 43 CO -0.27 0.00 -0.04 0.39 0.00 0.00 0.00 179.25 179.33 1fwa n GLU 44 N -2.59 2.23 -1.14 0.00 1.02 -0.15 -4.96 120.64 115.06 1fwa n GLU 44 Ca -0.01 -2.91 -0.30 0.00 -0.02 0.00 0.00 57.16 53.91 1fwa n GLU 44 Cb 0.09 -1.76 0.23 0.00 -0.02 0.00 0.00 31.44 29.97 1fwa n GLU 44 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1fwa s VAL 45 N -2.98 1.69 -0.03 2.62 -7.23 -1.01 -4.48 120.40 108.97 1fwa s VAL 45 Ca 0.41 0.00 -0.38 0.00 -1.81 0.00 0.00 61.98 60.20 1fwa s VAL 45 Cb 0.35 -2.51 -0.17 0.00 0.56 0.00 0.00 36.38 34.61 1fwa s VAL 45 CO 0.04 0.00 1.41 -3.20 -0.31 0.00 0.00 175.10 173.04 1fwa n ASN 46 N -4.62 1.58 0.33 4.85 2.85 -1.26 -4.83 115.26 114.16 1fwa n ASN 46 Ca 0.12 1.12 0.16 0.00 -0.11 0.00 0.00 54.58 55.87 1fwa n ASN 46 Cb 0.59 -1.13 0.87 0.00 1.24 0.00 0.00 39.78 41.35 1fwa n ASN 46 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1fwa h PRO 47 N 4.96 0.00 0.00 1.20 0.11 -1.99 -1.68 132.00 134.61 1fwa h PRO 47 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1fwa h PRO 47 Cb 1.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 1fwa h PRO 47 CO 0.81 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.60 1fwa h ALA 48 N 1.42 1.00 -2.10 -0.75 0.00 -1.96 -3.42 119.26 113.45 1fwa h ALA 48 Ca 0.00 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1fwa h ALA 48 Cb 0.59 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1fwa h ALA 48 CO -0.00 0.00 0.73 -0.51 0.00 0.00 0.00 179.25 179.47 1fwa s LEU 49 N -6.19 4.06 -0.25 0.00 1.43 -0.63 -1.09 118.68 116.01 1fwa s LEU 49 Ca 0.02 1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 54.21 1fwa s LEU 49 Cb 0.08 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 1fwa s LEU 49 CO 0.57 -0.68 0.26 -0.75 0.23 0.00 0.00 176.35 175.97 1fwa s LYS 50 N 3.21 4.04 0.21 1.70 2.20 0.52 -4.91 119.74 126.71 1fwa s LYS 50 Ca 0.42 -0.13 -0.18 0.00 -0.36 0.00 0.00 55.97 55.71 1fwa s LYS 50 Cb -0.14 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.64 1fwa s LYS 50 CO 0.08 -0.10 0.90 1.97 -0.36 0.00 0.00 175.35 177.84 1fwa n PHE 51 N 4.77 -1.49 -2.59 4.03 1.16 -1.26 -1.80 117.46 120.29 1fwa n PHE 51 Ca -0.12 -1.27 -0.41 0.00 -1.87 0.00 0.00 57.45 53.77 1fwa n PHE 51 Cb 0.52 0.62 -0.03 0.00 -1.61 0.00 0.00 39.48 38.98 1fwa n PHE 51 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fwa s ASP 52 N -3.16 6.55 0.53 5.98 -1.08 -1.26 -4.80 116.67 119.42 1fwa s ASP 52 Ca 0.20 -1.59 0.17 0.00 -0.52 0.00 0.00 52.55 50.81 1fwa s ASP 52 Cb -0.03 -2.56 1.32 0.00 -1.46 0.00 0.00 42.92 40.19 1fwa s ASP 52 CO 0.06 -1.45 2.15 0.03 0.52 0.00 0.00 175.17 176.49 1fwa h ARG 53 N 9.50 0.00 -0.51 4.34 2.47 -1.97 -1.93 114.38 126.29 1fwa h ARG 53 Ca 0.22 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.84 1fwa h ARG 53 Cb 1.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.30 1fwa h ARG 53 CO 1.41 0.00 -0.08 0.37 0.56 0.00 0.00 179.97 182.23 1fwa h GLN 54 N 0.00 0.92 -0.09 0.04 4.15 -1.95 -2.86 115.11 115.31 1fwa h GLN 54 Ca 0.01 -0.31 -0.14 0.00 0.77 0.00 0.00 58.65 58.98 1fwa h GLN 54 Cb 0.05 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1fwa h GLN 54 CO -0.00 0.96 -0.57 0.37 -1.93 0.00 0.00 178.83 177.66 1fwa h GLN 55 N 0.83 0.28 0.00 1.69 5.75 -1.77 -3.13 115.11 118.77 1fwa h GLN 55 Ca 0.14 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1fwa h GLN 55 Cb 0.60 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.18 1fwa h GLN 55 CO 0.04 0.77 0.00 0.00 -2.65 0.00 0.00 178.83 176.99 1fwa n ALA 56 N -2.48 2.60 -1.74 3.38 0.00 -1.05 -4.88 120.51 116.35 1fwa n ALA 56 Ca -0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1fwa n ALA 56 Cb 0.59 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1fwa n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fwa s ALA 57 N -2.00 3.29 0.00 0.00 0.00 -1.14 -1.75 121.76 120.15 1fwa s ALA 57 Ca 0.42 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1fwa s ALA 57 Cb 0.19 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1fwa s ALA 57 CO 0.32 -1.97 0.00 0.41 0.00 0.00 0.00 175.76 174.52 1fwa n GLY 58 N 4.88 0.56 3.54 0.00 0.00 -1.26 -5.02 105.19 107.90 1fwa n GLY 58 Ca 0.22 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1fwa n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwa s TYR 59 N -2.00 2.43 0.20 1.61 2.02 -0.72 -0.73 117.35 120.16 1fwa s TYR 59 Ca 0.00 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1fwa s TYR 59 Cb 0.00 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 1fwa s TYR 59 CO 0.00 0.66 0.12 -0.98 -1.57 0.00 0.00 175.55 173.78 1fwa s ARG 60 N -3.58 1.19 0.21 -0.62 1.70 -0.54 -1.33 118.95 115.98 1fwa s ARG 60 Ca 0.31 -1.62 -0.30 0.00 -0.47 0.00 0.00 55.73 53.65 1fwa s ARG 60 Cb -0.04 0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.47 1fwa s ARG 60 CO 0.17 -0.37 1.44 -0.51 -1.08 0.00 0.00 175.30 174.94 1fwa s LEU 61 N -3.16 4.39 -1.34 -1.89 1.43 -1.19 -0.46 118.68 116.45 1fwa s LEU 61 Ca 0.37 2.59 -0.10 0.00 -1.03 0.00 0.00 54.13 55.96 1fwa s LEU 61 Cb 0.07 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.80 1fwa s LEU 61 CO 0.11 -0.69 2.06 -3.20 0.23 0.00 0.00 176.35 174.86 1fwa n ASN 62 N 2.79 5.22 -4.20 2.29 2.85 -0.33 -4.67 115.26 119.21 1fwa n ASN 62 Ca 0.08 -3.03 -0.13 0.00 -0.11 0.00 0.00 54.58 51.40 1fwa n ASN 62 Cb 0.41 -1.51 -0.10 0.00 1.24 0.00 0.00 39.78 39.81 1fwa n ASN 62 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1fwa s ILE 63 N 0.99 0.94 0.29 -1.44 -4.36 -1.26 -4.93 121.20 111.44 1fwa s ILE 63 Ca 0.44 -1.89 -0.29 0.00 -0.26 0.00 0.00 60.65 58.66 1fwa s ILE 63 Cb 0.12 -1.64 -0.13 0.00 1.25 0.00 0.00 42.46 42.06 1fwa s ILE 63 CO -0.03 -0.73 1.17 -0.81 0.24 0.00 0.00 174.94 174.78 1fwa n PRO 64 N 0.09 1.72 -1.60 0.37 -0.04 -1.26 -4.84 135.00 129.44 1fwa n PRO 64 Ca -0.13 0.60 -0.49 0.00 -0.04 0.00 0.00 63.50 63.44 1fwa n PRO 64 Cb 0.60 -2.10 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1fwa n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fwa n ALA 65 N 0.56 -0.48 -0.21 0.55 0.00 -1.26 -1.88 120.51 117.79 1fwa n ALA 65 Ca 0.08 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1fwa n ALA 65 Cb 0.33 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1fwa n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwa n GLY 66 N 2.37 1.38 4.02 0.00 0.00 -1.26 -5.05 105.19 106.65 1fwa n GLY 66 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1fwa n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwa s THR 67 N -2.78 2.16 0.21 2.61 -4.23 -0.79 -4.91 115.64 107.92 1fwa s THR 67 Ca 0.00 -0.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.57 1fwa s THR 67 Cb 0.00 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 1fwa s THR 67 CO 0.00 0.00 0.31 0.00 -0.54 0.00 0.00 174.62 174.39 1fwa s ALA 68 N -2.83 0.24 -0.12 3.99 0.00 -1.26 -1.84 121.76 119.95 1fwa s ALA 68 Ca 0.63 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1fwa s ALA 68 Cb -0.06 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.16 1fwa s ALA 68 CO 0.41 -0.71 -0.20 0.08 0.00 0.00 0.00 175.76 175.34 1fwa s VAL 69 N -4.04 1.83 -0.06 0.00 1.01 -0.72 -4.97 120.40 113.45 1fwa s VAL 69 Ca 0.25 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1fwa s VAL 69 Cb 0.03 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1fwa s VAL 69 CO 0.07 0.51 0.08 -0.60 0.00 0.00 0.00 175.10 175.16 1fwa s ARG 70 N 0.74 3.18 -0.23 2.72 3.52 -1.26 -1.10 118.95 126.52 1fwa s ARG 70 Ca -0.10 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 1fwa s ARG 70 Cb -0.16 -2.95 0.06 0.00 -1.56 0.00 0.00 34.95 30.34 1fwa s ARG 70 CO 0.01 0.70 -0.05 -0.06 -0.81 0.00 0.00 175.30 175.09 1fwa s PHE 71 N -1.07 2.28 0.73 5.12 0.08 0.12 -4.99 117.98 120.24 1fwa s PHE 71 Ca 0.18 -1.66 -0.11 0.00 0.12 0.00 0.00 56.93 55.46 1fwa s PHE 71 Cb -0.12 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.83 1fwa s PHE 71 CO 0.08 -0.76 1.08 -1.21 -0.10 0.00 0.00 175.22 174.31 1fwa s GLU 72 N 1.44 2.65 0.14 0.44 0.41 -1.26 -1.18 118.70 121.33 1fwa s GLU 72 Ca -0.05 0.74 -0.33 0.00 -0.41 0.00 0.00 54.97 54.92 1fwa s GLU 72 Cb -0.18 -1.97 -0.13 0.00 -1.78 0.00 0.00 34.13 30.07 1fwa s GLU 72 CO -0.06 -1.25 1.69 -2.30 -0.49 0.00 0.00 175.26 172.85 1fwa n PRO 73 N -3.20 2.40 -0.25 0.39 -0.02 -1.26 -1.38 135.00 131.68 1fwa n PRO 73 Ca 0.07 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1fwa n PRO 73 Cb 0.55 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1fwa n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwa n GLY 74 N 3.79 1.64 3.75 -1.23 0.00 -0.01 -5.02 105.19 108.11 1fwa n GLY 74 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1fwa n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fwa s GLN 75 N -0.30 4.51 -0.02 1.61 0.74 -0.48 -4.70 119.66 121.01 1fwa s GLN 75 Ca 0.00 1.91 0.06 0.00 0.05 0.00 0.00 55.36 57.38 1fwa s GLN 75 Cb 0.00 -3.20 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 1fwa s GLN 75 CO 0.00 -0.03 -0.21 0.21 -0.55 0.00 0.00 175.29 174.71 1fwa s LYS 76 N -0.75 1.79 0.00 1.67 2.20 -1.26 -0.56 119.74 122.83 1fwa s LYS 76 Ca 0.50 -0.74 -0.28 0.00 -0.36 0.00 0.00 55.97 55.09 1fwa s LYS 76 Cb -0.34 -1.67 0.10 0.00 -1.51 0.00 0.00 37.83 34.41 1fwa s LYS 76 CO 0.40 0.41 0.84 -0.98 -0.36 0.00 0.00 175.35 175.66 1fwa s ARG 77 N -0.37 0.89 -0.20 4.03 1.70 -0.03 -4.99 118.95 119.97 1fwa s ARG 77 Ca 0.05 -0.24 -0.10 0.00 -0.47 0.00 0.00 55.73 54.98 1fwa s ARG 77 Cb -0.09 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 1fwa s ARG 77 CO 0.00 -0.37 0.12 -2.00 -1.08 0.00 0.00 175.30 171.97 1fwa s GLU 78 N -2.86 4.12 0.21 3.89 2.12 -1.26 -0.13 118.70 124.80 1fwa s GLU 78 Ca 0.02 -0.25 0.11 0.00 0.36 0.00 0.00 54.97 55.21 1fwa s GLU 78 Cb -0.01 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1fwa s GLU 78 CO -0.07 0.25 -0.19 0.14 -0.54 0.00 0.00 175.26 174.86 1fwa s VAL 79 N 0.48 2.63 -0.15 3.70 -7.23 0.46 -4.93 120.40 115.36 1fwa s VAL 79 Ca 0.07 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1fwa s VAL 79 Cb -0.12 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1fwa s VAL 79 CO -0.01 -0.19 0.02 -0.70 -0.31 0.00 0.00 175.10 173.92 1fwa s GLU 80 N -2.93 3.61 0.16 4.82 2.12 -1.26 -1.07 118.70 124.14 1fwa s GLU 80 Ca 0.24 -0.40 0.08 0.00 0.36 0.00 0.00 54.97 55.25 1fwa s GLU 80 Cb -0.07 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 1fwa s GLU 80 CO 0.13 0.40 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.69 1fwa s LEU 81 N -0.04 3.15 -0.03 2.70 1.02 0.13 -1.18 118.68 124.43 1fwa s LEU 81 Ca 0.04 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 53.76 1fwa s LEU 81 Cb -0.13 -1.84 0.00 0.00 0.02 0.00 0.00 46.19 44.25 1fwa s LEU 81 CO 0.02 0.11 -0.10 0.54 0.02 0.00 0.00 176.35 176.93 1fwa s VAL 82 N -1.63 0.90 0.44 -1.59 0.11 0.39 -1.52 120.40 117.50 1fwa s VAL 82 Ca 0.26 -0.41 -0.25 0.00 -2.93 0.00 0.00 61.98 58.64 1fwa s VAL 82 Cb -0.09 -0.80 -0.08 0.00 -1.53 0.00 0.00 36.38 33.88 1fwa s VAL 82 CO 0.17 0.28 1.32 0.00 -3.33 0.00 0.00 175.10 173.53 1fwa s ALA 83 N 0.24 3.16 0.70 1.54 0.00 -0.35 -1.46 121.76 125.58 1fwa s ALA 83 Ca -0.04 1.26 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 1fwa s ALA 83 Cb -0.10 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1fwa s ALA 83 CO 0.01 -0.96 1.15 -0.06 0.00 0.00 0.00 175.76 175.90 1fwa s PHE 84 N -1.29 2.34 0.00 0.00 0.08 0.09 -4.89 117.98 114.31 1fwa s PHE 84 Ca 0.61 1.58 0.00 0.00 0.12 0.00 0.00 56.93 59.24 1fwa s PHE 84 Cb -0.38 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.76 1fwa s PHE 84 CO 0.49 -2.13 0.00 0.00 -0.10 0.00 0.00 175.22 173.48 1fwa n ALA 85 N -2.59 0.00 -0.80 5.36 0.00 -1.26 -4.83 120.51 116.39 1fwa n ALA 85 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1fwa n ALA 85 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1fwa n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwa n GLY 86 N 4.25 2.92 0.03 0.00 0.00 -1.26 -1.18 105.19 109.94 1fwa n GLY 86 Ca 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1fwa n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwa n HIS 87 N 13.60 0.00 -3.63 1.61 8.25 -1.26 -4.93 115.22 128.86 1fwa n HIS 87 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1fwa n HIS 87 Cb 0.00 -0.34 0.05 0.00 1.12 0.00 0.00 29.99 30.82 1fwa n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fwa n ARG 88 N -1.36 -5.23 -4.92 -0.41 1.74 -0.33 -4.76 116.66 101.38 1fwa n ARG 88 Ca 0.08 0.68 -0.32 0.00 -0.77 0.00 0.00 57.85 57.52 1fwa n ARG 88 Cb 0.32 -5.34 -0.17 0.00 -1.02 0.00 0.00 32.46 26.26 1fwa n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fwa s ALA 89 N -3.59 2.25 -0.24 7.54 0.00 -1.26 -0.32 121.76 126.13 1fwa s ALA 89 Ca 0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1fwa s ALA 89 Cb -0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1fwa s ALA 89 CO 0.79 0.13 0.01 0.08 0.00 0.00 0.00 175.76 176.77 1fwa s VAL 90 N 0.58 3.75 -0.04 0.00 1.01 0.03 -4.92 120.40 120.80 1fwa s VAL 90 Ca -0.13 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1fwa s VAL 90 Cb -0.17 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1fwa s VAL 90 CO 0.03 0.33 -0.13 -0.36 0.00 0.00 0.00 175.10 174.97 1fwa s PHE 91 N 1.52 1.42 0.00 5.22 0.40 -1.26 -0.99 117.98 124.29 1fwa s PHE 91 Ca 0.05 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1fwa s PHE 91 Cb -0.15 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1fwa s PHE 91 CO -0.00 -0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.15 1fwa n GLY 92 N 3.37 0.38 7.00 4.36 0.00 -1.26 -4.99 105.19 114.05 1fwa n GLY 92 Ca -0.19 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1fwa n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fwa n PHE 93 N 0.00 0.00 -0.20 1.61 3.01 -1.26 -0.51 117.46 120.11 1fwa n PHE 93 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1fwa n PHE 93 Cb 0.00 0.00 0.30 0.00 -0.01 0.00 0.00 39.48 39.77 1fwa n PHE 93 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1fwa n ARG 94 N 14.00 3.06 -2.43 -1.08 1.74 -1.26 -4.94 116.66 125.75 1fwa n ARG 94 Ca 0.00 -2.40 -0.18 0.00 -0.77 0.00 0.00 57.85 54.50 1fwa n ARG 94 Cb 0.00 -1.70 -0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1fwa n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwa n GLY 95 N 1.19 -0.35 0.07 -0.13 0.00 0.34 -4.93 105.19 101.38 1fwa n GLY 95 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1fwa n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fwa h GLU 96 N -0.20 0.00 0.00 1.61 5.08 -1.93 -3.42 114.58 115.73 1fwa h GLU 96 Ca -0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1fwa h GLU 96 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1fwa h GLU 96 CO 0.49 0.83 -0.82 1.55 -1.00 0.00 0.00 179.01 180.06 1fwa n VAL 97 N -3.26 1.33 -3.89 3.13 3.14 -1.26 -5.03 118.33 112.49 1fwa n VAL 97 Ca -0.05 0.17 -0.26 0.00 -2.96 0.00 0.00 64.34 61.25 1fwa n VAL 97 Cb 0.96 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.74 1fwa n VAL 97 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1fwa n MET 98 N -4.04 -4.08 -3.42 1.45 2.81 -0.49 -4.88 117.12 104.48 1fwa n MET 98 Ca -0.12 0.49 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 1fwa n MET 98 Cb 0.38 -4.91 0.00 0.00 -0.71 0.00 0.00 33.22 27.98 1fwa n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fwa n GLY 99 N -1.76 -1.53 3.77 3.03 0.00 -0.16 -4.94 105.19 103.59 1fwa n GLY 99 Ca -0.23 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 1fwa n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwa s PRO 100 N -1.31 3.90 0.00 1.61 0.04 -1.26 -0.79 135.00 137.18 1fwa s PRO 100 Ca 0.00 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1fwa s PRO 100 Cb 0.00 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1fwa s PRO 100 CO 0.00 -0.55 0.00 -0.11 0.04 0.00 0.00 177.00 176.38