#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fnt s GLN 2 N 0.00 3.38 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.73 2fnt s GLN 2 Ca 0.00 -0.69 -0.00 0.00 0.05 0.00 0.00 55.36 54.72 2fnt s GLN 2 Cb 0.00 -2.63 0.03 0.00 1.10 0.00 0.00 33.01 31.51 2fnt s GLN 2 CO 0.00 0.20 -0.11 0.42 -0.55 0.00 0.00 175.29 175.26 2fnt s ILE 3 N 0.37 2.55 0.84 -2.34 1.01 -1.26 -5.11 121.20 117.26 2fnt s ILE 3 Ca -0.11 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 2fnt s ILE 3 Cb -0.16 -2.26 0.10 0.00 0.01 0.00 0.00 42.46 40.15 2fnt s ILE 3 CO 0.06 0.28 1.19 0.42 0.00 0.00 0.00 174.94 176.88 2fnt s THR 4 N 1.29 2.00 -0.15 2.92 -4.23 -1.26 -5.01 115.64 111.19 2fnt s THR 4 Ca 0.01 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.69 2fnt s THR 4 Cb -0.16 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.07 2fnt s THR 4 CO -0.07 0.00 1.22 0.18 -0.54 0.00 0.00 174.62 175.41 2fnt n LEU 5 N -3.42 2.77 -0.20 4.79 4.77 -1.26 -4.61 117.00 119.84 2fnt n LEU 5 Ca 0.08 -3.14 0.01 0.00 -0.03 0.00 0.00 56.01 52.93 2fnt n LEU 5 Cb 0.61 -0.47 0.26 0.00 -2.33 0.00 0.00 43.42 41.48 2fnt n LEU 5 CO 0.56 0.76 1.23 -0.50 -1.33 0.00 0.00 177.39 178.11 2fnt h TRP 6 N 0.49 0.92 -2.28 -1.77 4.06 -2.06 -3.43 115.95 111.88 2fnt h TRP 6 Ca 0.01 0.02 -0.54 0.00 2.06 0.00 0.00 58.89 60.43 2fnt h TRP 6 Cb 1.12 -0.31 -0.13 0.00 -1.00 0.00 0.00 29.16 28.84 2fnt h TRP 6 CO 0.19 0.58 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.46 2fnt s LYS 7 N -5.82 1.81 0.27 0.49 -2.85 -1.26 -5.10 119.74 107.28 2fnt s LYS 7 Ca -0.11 -2.03 -0.31 0.00 -1.00 0.00 0.00 55.97 52.53 2fnt s LYS 7 Cb 0.18 -1.16 -0.12 0.00 -2.06 0.00 0.00 37.83 34.66 2fnt s LYS 7 CO 0.78 -0.16 1.57 0.54 0.10 0.00 0.00 175.35 178.18 2fnt n ARG 8 N -0.83 2.57 -2.56 1.78 1.74 -1.26 -4.85 116.66 113.24 2fnt n ARG 8 Ca -0.04 0.91 -0.43 0.00 -0.77 0.00 0.00 57.85 57.52 2fnt n ARG 8 Cb 0.67 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 2fnt n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2fnt n PRO 9 N 2.35 3.19 -3.17 5.56 -0.04 -1.26 -4.96 135.00 136.67 2fnt n PRO 9 Ca 0.10 -3.28 -0.39 0.00 -0.04 0.00 0.00 63.50 59.89 2fnt n PRO 9 Cb 0.35 -3.47 -0.06 0.00 -0.04 0.00 0.00 33.50 30.28 2fnt n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fnt s LEU 10 N 4.04 4.46 0.01 1.53 1.43 -1.26 -1.04 118.68 127.85 2fnt s LEU 10 Ca 0.53 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 2fnt s LEU 10 Cb 0.04 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2fnt s LEU 10 CO 0.07 0.14 -0.03 0.68 0.23 0.00 0.00 176.35 177.44 2fnt s VAL 11 N -0.47 0.17 0.22 -1.59 -7.23 -0.52 -4.98 120.40 106.01 2fnt s VAL 11 Ca 0.32 -0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.79 2fnt s VAL 11 Cb -0.19 -0.21 -0.10 0.00 0.56 0.00 0.00 36.38 36.44 2fnt s VAL 11 CO 0.19 -0.15 1.43 0.42 -0.31 0.00 0.00 175.10 176.68 2fnt s THR 12 N -0.55 2.79 0.12 5.32 -4.23 -1.26 -3.06 115.64 114.75 2fnt s THR 12 Ca -0.05 0.64 0.10 0.00 -1.18 0.00 0.00 61.69 61.21 2fnt s THR 12 Cb -0.04 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 2fnt s THR 12 CO -0.00 0.09 -0.25 0.27 -0.54 0.00 0.00 174.62 174.19 2fnt s ILE 13 N 0.19 2.38 -0.08 2.99 -4.36 -0.54 -4.05 121.20 117.72 2fnt s ILE 13 Ca 0.60 -1.65 0.03 0.00 -0.26 0.00 0.00 60.65 59.37 2fnt s ILE 13 Cb -0.41 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.26 2fnt s ILE 13 CO 0.40 0.13 -0.18 -0.60 0.24 0.00 0.00 174.94 174.93 2fnt s ARG 14 N -1.97 2.38 -0.19 0.37 3.52 -0.81 -1.19 118.95 121.06 2fnt s ARG 14 Ca 0.15 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 2fnt s ARG 14 Cb -0.10 -1.86 0.04 0.00 -1.56 0.00 0.00 34.95 31.47 2fnt s ARG 14 CO 0.06 0.10 -0.08 0.42 -0.81 0.00 0.00 175.30 174.99 2fnt s ILE 15 N 0.51 1.43 0.00 4.11 1.01 -0.36 -0.86 121.20 127.04 2fnt s ILE 15 Ca -0.16 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2fnt s ILE 15 Cb -0.17 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.74 2fnt s ILE 15 CO 0.06 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2fnt n GLY 16 N 4.76 4.09 0.91 6.18 0.00 -1.26 -1.06 105.19 118.81 2fnt n GLY 16 Ca -0.13 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2fnt n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fnt n GLY 17 N 0.00 1.30 3.48 -0.02 0.00 -1.26 -4.96 105.19 103.73 2fnt n GLY 17 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2fnt n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fnt s GLN 18 N -1.35 3.42 -0.07 1.61 -0.21 -0.22 -5.10 119.66 117.73 2fnt s GLN 18 Ca 0.33 -0.57 -0.09 0.00 0.02 0.00 0.00 55.36 55.05 2fnt s GLN 18 Cb 0.17 -2.77 -0.05 0.00 1.00 0.00 0.00 33.01 31.37 2fnt s GLN 18 CO 0.23 0.31 0.22 -0.51 -2.12 0.00 0.00 175.29 173.42 2fnt s LEU 19 N 0.14 4.41 0.02 2.90 1.43 -1.26 -1.22 118.68 125.10 2fnt s LEU 19 Ca -0.03 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2fnt s LEU 19 Cb -0.14 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2fnt s LEU 19 CO 0.03 0.37 -0.05 -0.54 0.23 0.00 0.00 176.35 176.39 2fnt s LYS 20 N -1.15 0.39 -0.09 1.70 -0.14 -0.34 -5.02 119.74 115.09 2fnt s LYS 20 Ca 0.19 -0.50 -0.21 0.00 -1.36 0.00 0.00 55.97 54.09 2fnt s LYS 20 Cb -0.13 -0.19 -0.04 0.00 -1.68 0.00 0.00 37.83 35.79 2fnt s LYS 20 CO 0.08 0.03 0.60 -1.83 -0.76 0.00 0.00 175.35 173.48 2fnt s GLU 21 N -1.03 4.39 0.03 1.68 -1.05 -1.26 -1.47 118.70 119.97 2fnt s GLU 21 Ca -0.07 0.68 -0.01 0.00 -0.15 0.00 0.00 54.97 55.42 2fnt s GLU 21 Cb -0.07 -3.45 -0.02 0.00 -0.44 0.00 0.00 34.13 30.15 2fnt s GLU 21 CO -0.00 0.09 -0.01 0.00 0.95 0.00 0.00 175.26 176.29 2fnt s ALA 22 N 0.77 0.14 -0.21 -0.84 0.00 -1.17 -4.49 121.76 115.96 2fnt s ALA 22 Ca 0.32 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 2fnt s ALA 22 Cb -0.16 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2fnt s ALA 22 CO 0.14 -0.21 0.28 -1.17 0.00 0.00 0.00 175.76 174.80 2fnt s LEU 23 N -1.76 4.15 -0.38 0.00 2.96 0.00 -1.44 118.68 122.21 2fnt s LEU 23 Ca -0.11 0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.85 2fnt s LEU 23 Cb -0.06 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.31 2fnt s LEU 23 CO -0.03 0.01 1.47 -0.76 -1.32 0.00 0.00 176.35 175.72 2fnt s LEU 24 N 1.10 3.61 -0.38 -0.68 1.43 -0.21 -0.54 118.68 123.01 2fnt s LEU 24 Ca 0.14 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.23 2fnt s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2fnt s LEU 24 CO 0.06 -1.43 0.13 0.21 0.23 0.00 0.00 176.35 175.54 2fnt s ASN 25 N 4.15 4.33 0.31 2.29 3.04 -0.09 -4.78 114.94 124.20 2fnt s ASN 25 Ca 0.64 -2.27 0.26 0.00 0.04 0.00 0.00 52.86 51.53 2fnt s ASN 25 Cb -0.16 -1.36 1.04 0.00 -1.54 0.00 0.00 41.25 39.24 2fnt s ASN 25 CO 0.32 -0.34 1.76 0.71 -3.04 0.00 0.00 177.10 176.51 2fnt h THR 26 N 6.16 0.00 -0.06 -5.21 1.35 -1.93 -2.30 112.91 110.93 2fnt h THR 26 Ca -0.07 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2fnt h THR 26 Cb 0.98 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2fnt h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2fnt n GLY 27 N 0.08 -0.26 3.46 5.82 0.00 -1.26 -4.83 105.19 108.20 2fnt n GLY 27 Ca 0.02 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2fnt n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fnt s ALA 28 N -1.93 2.94 0.23 4.61 0.00 -0.86 -4.99 121.76 121.76 2fnt s ALA 28 Ca 0.36 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2fnt s ALA 28 Cb 0.18 -1.54 0.24 0.00 0.00 0.00 0.00 23.12 22.00 2fnt s ALA 28 CO 0.29 0.15 1.58 -0.44 0.00 0.00 0.00 175.76 177.34 2fnt h ASP 29 N 6.86 0.49 -2.63 0.00 3.45 -1.88 -0.25 116.42 122.46 2fnt h ASP 29 Ca -0.31 -0.23 -0.54 0.00 0.43 0.00 0.00 57.03 56.37 2fnt h ASP 29 Cb 1.19 -0.14 -0.14 0.00 -0.56 0.00 0.00 39.33 39.68 2fnt h ASP 29 CO 0.61 0.89 -0.73 -1.81 -1.57 0.00 0.00 179.24 176.63 2fnt s ASP 30 N -6.88 3.13 -0.14 6.45 1.01 -1.26 -2.47 116.67 116.52 2fnt s ASP 30 Ca -0.06 -1.07 -0.13 0.00 0.71 0.00 0.00 52.55 52.00 2fnt s ASP 30 Cb 0.12 -0.23 -0.05 0.00 1.01 0.00 0.00 42.92 43.78 2fnt s ASP 30 CO 0.81 -0.11 0.28 -0.89 0.21 0.00 0.00 175.17 175.48 2fnt s THR 31 N -2.75 5.30 -0.04 -1.27 2.01 -1.26 -3.37 115.64 114.25 2fnt s THR 31 Ca 0.28 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.80 2fnt s THR 31 Cb -0.01 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.91 2fnt s THR 31 CO 0.12 0.44 0.02 -0.69 -0.69 0.00 0.00 174.62 173.82 2fnt s VAL 32 N 0.10 0.10 0.12 3.82 1.01 -0.19 -0.67 120.40 124.70 2fnt s VAL 32 Ca 0.17 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.45 2fnt s VAL 32 Cb -0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2fnt s VAL 32 CO 0.05 0.18 -0.17 -0.76 0.00 0.00 0.00 175.10 174.40 2fnt s LEU 33 N 1.65 2.37 0.19 3.92 1.43 0.04 -0.84 118.68 127.45 2fnt s LEU 33 Ca -0.01 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.35 2fnt s LEU 33 Cb -0.13 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 2fnt s LEU 33 CO -0.03 -0.05 0.29 -1.83 0.23 0.00 0.00 176.35 174.96 2fnt s GLU 34 N -2.42 3.37 -0.44 1.70 -1.05 -1.24 -1.37 118.70 117.25 2fnt s GLU 34 Ca 0.09 -0.70 -0.37 0.00 -0.15 0.00 0.00 54.97 53.84 2fnt s GLU 34 Cb -0.07 -2.89 0.06 0.00 -0.44 0.00 0.00 34.13 30.79 2fnt s GLU 34 CO 0.04 0.48 0.65 0.39 0.95 0.00 0.00 175.26 177.77 2fnt n GLU 35 N -0.88 -1.93 0.00 -4.83 1.02 -1.26 -4.94 120.64 107.82 2fnt n GLU 35 Ca -0.08 1.47 0.00 0.00 -0.02 0.00 0.00 57.16 58.53 2fnt n GLU 35 Cb 0.55 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 2fnt n GLU 35 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2fnt n MET 36 N -0.15 0.00 -2.16 3.49 2.81 -1.26 -5.12 117.12 114.73 2fnt n MET 36 Ca -0.07 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2fnt n MET 36 Cb 0.67 -0.47 -0.00 0.00 -0.71 0.00 0.00 33.22 32.70 2fnt n MET 36 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2fnt n ASN 37 N -2.99 -3.85 -4.21 7.83 2.04 -1.26 -5.03 115.26 107.80 2fnt n ASN 37 Ca 0.00 1.35 -0.15 0.00 -0.44 0.00 0.00 54.58 55.34 2fnt n ASN 37 Cb 0.46 -2.99 -0.11 0.00 -2.53 0.00 0.00 39.78 34.61 2fnt n ASN 37 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2fnt s LEU 38 N -0.24 2.45 0.53 -4.53 1.43 -1.26 -5.14 118.68 111.92 2fnt s LEU 38 Ca -0.00 -0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 52.03 2fnt s LEU 38 Cb 0.00 -0.34 -0.07 0.00 0.03 0.00 0.00 46.19 45.81 2fnt s LEU 38 CO 0.01 -0.28 1.02 -2.16 0.23 0.00 0.00 176.35 175.17 2fnt s PRO 39 N -3.16 3.71 0.11 1.29 0.04 -1.26 -4.97 135.00 130.76 2fnt s PRO 39 Ca 0.10 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2fnt s PRO 39 Cb -0.01 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2fnt s PRO 39 CO 0.00 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2fnt n GLY 40 N -0.97 -3.01 3.82 0.56 0.00 -1.26 -4.92 105.19 99.40 2fnt n GLY 40 Ca 0.08 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 2fnt n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fnt s LYS 41 N -0.61 3.17 0.03 1.61 -2.85 -1.26 -5.07 119.74 114.77 2fnt s LYS 41 Ca 0.00 1.04 -0.09 0.00 -1.00 0.00 0.00 55.97 55.92 2fnt s LYS 41 Cb 0.00 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 2fnt s LYS 41 CO 0.00 -0.92 0.18 1.67 0.10 0.00 0.00 175.35 176.38 2fnt s TRP 42 N -2.81 0.05 0.04 1.78 1.48 -1.26 -4.54 118.94 113.69 2fnt s TRP 42 Ca 0.60 -0.23 0.07 0.00 -1.06 0.00 0.00 56.10 55.48 2fnt s TRP 42 Cb -0.14 -0.04 -0.02 0.00 -1.16 0.00 0.00 33.47 32.11 2fnt s TRP 42 CO 0.47 -0.39 -0.20 -1.59 -4.06 0.00 0.00 176.95 171.18 2fnt s LYS 43 N -2.22 1.35 0.53 3.25 -2.85 -0.92 -4.89 119.74 113.99 2fnt s LYS 43 Ca -0.08 -0.93 -0.22 0.00 -1.00 0.00 0.00 55.97 53.75 2fnt s LYS 43 Cb -0.03 -1.46 -0.05 0.00 -2.06 0.00 0.00 37.83 34.23 2fnt s LYS 43 CO -0.02 0.37 1.31 -2.14 0.10 0.00 0.00 175.35 174.97 2fnt s PRO 44 N -1.17 3.24 0.03 1.78 0.02 -1.26 -0.23 135.00 137.41 2fnt s PRO 44 Ca 0.07 2.11 -0.13 0.00 0.02 0.00 0.00 61.00 63.06 2fnt s PRO 44 Cb -0.09 -2.26 0.02 0.00 0.02 0.00 0.00 34.50 32.20 2fnt s PRO 44 CO 0.02 -1.07 0.29 0.21 -0.33 0.00 0.00 177.00 176.12 2fnt s LYS 45 N -2.90 0.77 -0.10 5.54 2.20 -0.25 -4.84 119.74 120.16 2fnt s LYS 45 Ca 0.71 -0.46 -0.00 0.00 -0.36 0.00 0.00 55.97 55.85 2fnt s LYS 45 Cb -0.37 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 36.25 2fnt s LYS 45 CO 0.44 -0.24 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.47 2fnt s MET 46 N -2.33 3.07 0.03 4.03 -1.94 -1.26 -0.61 119.30 120.29 2fnt s MET 46 Ca -0.07 -0.58 0.03 0.00 -1.71 0.00 0.00 55.69 53.37 2fnt s MET 46 Cb -0.02 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.15 2fnt s MET 46 CO -0.02 0.48 -0.11 0.96 -0.01 0.00 0.00 175.02 176.32 2fnt s ILE 47 N -0.31 0.81 0.23 2.53 -4.36 -0.51 -4.97 121.20 114.62 2fnt s ILE 47 Ca 0.04 -0.85 0.12 0.00 -0.26 0.00 0.00 60.65 59.70 2fnt s ILE 47 Cb -0.13 -0.76 -0.05 0.00 1.25 0.00 0.00 42.46 42.77 2fnt s ILE 47 CO 0.02 -0.06 -0.22 -0.83 0.24 0.00 0.00 174.94 174.09 2fnt s GLY 48 N -1.02 1.78 0.00 6.27 0.00 -1.26 -0.63 107.32 112.46 2fnt s GLY 48 Ca -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2fnt s GLY 48 CO 0.01 -1.79 0.00 0.61 0.00 0.00 0.00 173.10 171.93 2fnt n GLY 49 N -0.10 1.84 3.67 0.20 0.00 -0.39 -4.98 105.19 105.43 2fnt n GLY 49 Ca -0.09 -0.90 -0.50 0.00 0.00 0.00 0.00 46.02 44.53 2fnt n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fnt n ILE 50 N 0.00 0.29 0.00 -0.61 2.08 -1.26 -1.51 119.36 118.35 2fnt n ILE 50 Ca 0.00 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.26 2fnt n ILE 50 Cb 0.00 -1.53 0.00 0.00 -0.75 0.00 0.00 39.64 37.36 2fnt n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2fnt n GLY 51 N 3.83 2.52 0.00 7.39 0.00 -1.26 -4.96 105.19 112.71 2fnt n GLY 51 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2fnt n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fnt n GLY 52 N -0.47 0.62 3.58 -0.02 0.00 -0.57 -5.12 105.19 103.22 2fnt n GLY 52 Ca 0.00 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 2fnt n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fnt s PHE 53 N -2.07 2.71 0.16 1.61 0.40 -1.26 -1.26 117.98 118.27 2fnt s PHE 53 Ca 0.00 -0.18 0.09 0.00 -0.60 0.00 0.00 56.93 56.24 2fnt s PHE 53 Cb 0.00 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 2fnt s PHE 53 CO 0.00 0.47 -0.19 0.96 0.70 0.00 0.00 175.22 177.16 2fnt s ILE 54 N -1.45 1.83 -0.06 0.64 -4.36 0.20 -4.95 121.20 113.05 2fnt s ILE 54 Ca 0.23 -1.87 -0.20 0.00 -0.26 0.00 0.00 60.65 58.55 2fnt s ILE 54 Cb -0.10 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.75 2fnt s ILE 54 CO 0.15 -0.27 0.57 -0.75 0.24 0.00 0.00 174.94 174.87 2fnt s LYS 55 N -2.67 4.33 0.19 0.37 2.47 -1.26 -1.43 119.74 121.73 2fnt s LYS 55 Ca 0.15 0.65 0.02 0.00 -1.56 0.00 0.00 55.97 55.23 2fnt s LYS 55 Cb -0.06 -3.39 -0.05 0.00 -1.46 0.00 0.00 37.83 32.87 2fnt s LYS 55 CO 0.06 0.25 0.01 0.14 0.16 0.00 0.00 175.35 175.97 2fnt s VAL 56 N 0.25 0.69 -0.19 4.02 -7.23 0.22 -4.39 120.40 113.77 2fnt s VAL 56 Ca 0.30 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2fnt s VAL 56 Cb -0.17 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2fnt s VAL 56 CO 0.15 -0.41 0.13 -0.13 -0.31 0.00 0.00 175.10 174.53 2fnt s ARG 57 N -3.92 4.08 -0.29 4.82 0.52 0.06 -1.09 118.95 123.13 2fnt s ARG 57 Ca 0.26 -0.21 -0.12 0.00 -0.52 0.00 0.00 55.73 55.13 2fnt s ARG 57 Cb 0.06 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 2fnt s ARG 57 CO 0.05 0.36 0.23 -1.14 0.02 0.00 0.00 175.30 174.83 2fnt s GLN 58 N 0.17 3.90 -0.07 3.54 0.74 0.68 -0.86 119.66 127.76 2fnt s GLN 58 Ca 0.09 -0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.23 2fnt s GLN 58 Cb -0.11 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 2fnt s GLN 58 CO -0.01 -0.24 -0.12 0.71 -0.55 0.00 0.00 175.29 175.08 2fnt s TYR 59 N 1.82 2.78 0.20 1.67 1.51 -0.55 -2.17 117.35 122.60 2fnt s TYR 59 Ca 0.08 -0.20 0.07 0.00 -1.01 0.00 0.00 57.07 56.01 2fnt s TYR 59 Cb -0.16 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2fnt s TYR 59 CO 0.11 0.15 0.11 -0.51 -1.11 0.00 0.00 175.55 174.29 2fnt s ASP 60 N -0.54 5.25 -1.33 2.29 1.01 -1.26 -1.06 116.67 121.04 2fnt s ASP 60 Ca 0.08 -0.28 -0.04 0.00 0.71 0.00 0.00 52.55 53.01 2fnt s ASP 60 Cb -0.12 -1.27 0.02 0.00 1.01 0.00 0.00 42.92 42.56 2fnt s ASP 60 CO 0.02 0.04 0.94 0.00 0.21 0.00 0.00 175.17 176.37 2fnt n GLN 61 N -0.59 -6.15 -3.63 8.23 1.13 -1.10 -4.89 117.38 110.38 2fnt n GLN 61 Ca -0.08 0.72 -0.36 0.00 -1.94 0.00 0.00 57.00 55.34 2fnt n GLN 61 Cb 0.56 -5.58 -0.09 0.00 0.11 0.00 0.00 30.24 25.24 2fnt n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2fnt s ILE 62 N -3.44 5.35 0.13 5.09 -1.09 0.27 -4.69 121.20 122.82 2fnt s ILE 62 Ca 0.25 0.27 -0.30 0.00 -2.23 0.00 0.00 60.65 58.63 2fnt s ILE 62 Cb -0.12 -3.53 -0.07 0.00 -1.58 0.00 0.00 42.46 37.16 2fnt s ILE 62 CO 0.78 0.35 1.25 -2.84 -1.23 0.00 0.00 174.94 173.25 2fnt s PRO 63 N 0.92 4.42 -0.07 2.79 0.02 -1.26 -1.90 135.00 139.92 2fnt s PRO 63 Ca 0.09 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 63.02 2fnt s PRO 63 Cb -0.13 -3.27 0.03 0.00 0.02 0.00 0.00 34.50 31.15 2fnt s PRO 63 CO 0.04 -0.23 -0.03 0.08 -0.33 0.00 0.00 177.00 176.53 2fnt s VAL 64 N 0.55 0.56 -0.22 3.83 1.01 0.25 -4.51 120.40 121.86 2fnt s VAL 64 Ca 0.58 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 2fnt s VAL 64 Cb -0.33 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2fnt s VAL 64 CO 0.33 0.28 0.53 -0.70 0.00 0.00 0.00 175.10 175.54 2fnt s GLU 65 N 1.68 4.15 -0.26 2.72 -6.30 -0.04 -0.98 118.70 119.66 2fnt s GLU 65 Ca 0.01 0.39 -0.01 0.00 -2.50 0.00 0.00 54.97 52.87 2fnt s GLU 65 Cb -0.13 -3.60 0.08 0.00 0.00 0.00 0.00 34.13 30.49 2fnt s GLU 65 CO -0.05 -0.23 0.05 0.42 0.02 0.00 0.00 175.26 175.47 2fnt s ILE 66 N 1.91 1.01 -1.44 -3.70 1.01 0.12 -1.93 121.20 118.17 2fnt s ILE 66 Ca 0.23 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 2fnt s ILE 66 Cb -0.15 -1.58 0.05 0.00 0.01 0.00 0.00 42.46 40.78 2fnt s ILE 66 CO 0.09 -0.42 0.81 0.00 0.00 0.00 0.00 174.94 175.42 2fnt n GLY 68 N -1.67 1.15 3.85 0.00 0.00 -1.26 -5.01 105.19 102.25 2fnt n GLY 68 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2fnt n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fnt s HIS 69 N -3.76 3.56 -0.48 1.61 4.02 -0.18 -5.07 115.29 114.98 2fnt s HIS 69 Ca 0.00 0.49 -0.16 0.00 1.02 0.00 0.00 55.06 56.40 2fnt s HIS 69 Cb 0.00 -1.98 0.07 0.00 -1.02 0.00 0.00 32.58 29.65 2fnt s HIS 69 CO 0.00 0.66 0.46 -1.59 1.02 0.00 0.00 174.74 175.29 2fnt s LYS 70 N -0.78 3.02 0.12 1.40 0.00 -1.26 -0.70 119.74 121.53 2fnt s LYS 70 Ca 0.14 -1.22 -0.04 0.00 0.00 0.00 0.00 55.97 54.84 2fnt s LYS 70 Cb -0.12 -4.12 -0.05 0.00 0.00 0.00 0.00 37.83 33.54 2fnt s LYS 70 CO 0.03 -1.08 0.34 0.00 0.00 0.00 0.00 175.35 174.64 2fnt s ALA 71 N 1.92 3.83 -0.04 0.59 0.00 -0.15 -4.93 121.76 122.98 2fnt s ALA 71 Ca 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 2fnt s ALA 71 Cb -0.23 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.84 2fnt s ALA 71 CO 0.08 0.69 0.06 -1.50 0.00 0.00 0.00 175.76 175.09 2fnt s ILE 72 N -1.60 -0.10 0.00 0.00 -1.16 -1.26 -0.58 121.20 116.49 2fnt s ILE 72 Ca 0.39 0.38 0.00 0.00 -0.51 0.00 0.00 60.65 60.90 2fnt s ILE 72 Cb -0.12 -0.14 0.00 0.00 0.61 0.00 0.00 42.46 42.81 2fnt s ILE 72 CO 0.24 0.16 0.00 0.61 -2.81 0.00 0.00 174.94 173.14 2fnt n GLY 73 N 5.03 0.82 3.72 1.50 0.00 -0.80 -4.80 105.19 110.67 2fnt n GLY 73 Ca -0.09 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2fnt n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fnt s THR 74 N -1.85 4.61 -0.12 2.61 2.01 -1.26 -0.56 115.64 121.08 2fnt s THR 74 Ca 0.00 1.99 0.02 0.00 0.31 0.00 0.00 61.69 64.01 2fnt s THR 74 Cb 0.00 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.25 2fnt s THR 74 CO 0.00 0.22 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.29 2fnt s VAL 75 N 0.58 1.65 0.03 3.82 1.01 -0.22 -4.46 120.40 122.80 2fnt s VAL 75 Ca 0.51 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 2fnt s VAL 75 Cb -0.23 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 2fnt s VAL 75 CO 0.29 0.47 0.41 -0.76 0.00 0.00 0.00 175.10 175.51 2fnt s LEU 76 N 1.05 4.43 -0.10 3.92 1.43 0.15 -1.49 118.68 128.07 2fnt s LEU 76 Ca -0.04 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2fnt s LEU 76 Cb -0.15 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.38 2fnt s LEU 76 CO -0.04 0.28 -0.14 -0.69 0.23 0.00 0.00 176.35 176.00 2fnt s VAL 77 N -1.18 1.36 -0.60 -1.59 1.01 -0.04 -0.78 120.40 118.58 2fnt s VAL 77 Ca 0.27 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2fnt s VAL 77 Cb -0.16 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.96 2fnt s VAL 77 CO 0.15 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2fnt n GLY 78 N 4.24 -1.26 2.19 4.51 0.00 -0.47 -0.76 105.19 113.64 2fnt n GLY 78 Ca -0.19 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 2fnt n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fnt n PRO 79 N -0.01 2.82 -2.47 1.61 -0.04 -1.26 -3.68 135.00 131.97 2fnt n PRO 79 Ca 0.00 -1.60 -0.39 0.00 -0.04 0.00 0.00 63.50 61.47 2fnt n PRO 79 Cb 0.00 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.01 2fnt n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2fnt s THR 80 N 1.73 3.48 -1.24 0.52 -1.32 -1.26 -4.92 115.64 112.63 2fnt s THR 80 Ca 0.66 1.41 0.23 0.00 -1.21 0.00 0.00 61.69 62.79 2fnt s THR 80 Cb 0.23 -3.87 0.32 0.00 -1.51 0.00 0.00 72.50 67.67 2fnt s THR 80 CO -0.03 0.28 1.77 -0.81 -2.21 0.00 0.00 174.62 173.61 2fnt n PRO 81 N 0.89 0.19 -3.73 7.08 -0.04 -1.26 -4.66 135.00 133.47 2fnt n PRO 81 Ca 0.00 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2fnt n PRO 81 Cb 0.46 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 2fnt n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fnt s ALA 82 N -2.76 -0.84 0.21 0.55 0.00 -1.26 -5.13 121.76 112.53 2fnt s ALA 82 Ca 0.17 1.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 2fnt s ALA 82 Cb 0.16 -0.68 -0.10 0.00 0.00 0.00 0.00 23.12 22.50 2fnt s ALA 82 CO 0.39 -0.20 1.44 -0.80 0.00 0.00 0.00 175.76 176.58 2fnt s ASN 83 N 0.77 6.70 -0.02 0.00 0.01 -1.26 -4.85 114.94 116.29 2fnt s ASN 83 Ca -0.05 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 54.68 2fnt s ASN 83 Cb -0.06 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.01 2fnt s ASN 83 CO -0.05 -0.69 0.01 -0.63 -1.51 0.00 0.00 177.10 174.22 2fnt s ILE 84 N 0.34 0.08 -0.30 0.60 1.01 -0.02 -0.82 121.20 122.09 2fnt s ILE 84 Ca 0.61 0.09 -0.13 0.00 0.00 0.00 0.00 60.65 61.23 2fnt s ILE 84 Cb -0.41 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 2fnt s ILE 84 CO 0.39 0.10 0.28 -0.63 0.00 0.00 0.00 174.94 175.07 2fnt s ILE 85 N 0.76 5.24 0.43 2.92 -1.09 0.29 -1.02 121.20 128.74 2fnt s ILE 85 Ca -0.07 0.21 0.07 0.00 -2.23 0.00 0.00 60.65 58.63 2fnt s ILE 85 Cb -0.10 -3.65 0.07 0.00 -1.58 0.00 0.00 42.46 37.19 2fnt s ILE 85 CO -0.02 0.13 0.55 0.61 -1.23 0.00 0.00 174.94 174.98 2fnt n GLY 86 N 4.94 2.08 0.27 6.18 0.00 -1.22 -0.91 105.19 116.53 2fnt n GLY 86 Ca -0.11 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.76 2fnt n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fnt h ARG 87 N 0.00 0.14 -0.52 1.61 3.08 -0.99 -1.34 114.38 116.36 2fnt h ARG 87 Ca -0.21 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.93 2fnt h ARG 87 Cb 0.93 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 2fnt h ARG 87 CO 0.30 0.12 0.35 -2.95 -1.07 0.00 0.00 179.97 176.73 2fnt h ASN 88 N 0.14 0.27 0.00 7.04 -1.07 -1.75 -1.45 115.58 118.76 2fnt h ASN 88 Ca 0.04 0.01 -0.32 0.00 0.07 0.00 0.00 56.30 56.09 2fnt h ASN 88 Cb 0.04 -0.05 -0.06 0.00 -2.07 0.00 0.00 38.32 36.18 2fnt h ASN 88 CO -0.00 0.16 -2.25 0.18 0.07 0.00 0.00 177.43 175.59 2fnt n LEU 89 N -4.46 0.00 -0.33 6.14 4.77 -0.83 -4.27 117.00 118.02 2fnt n LEU 89 Ca 0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2fnt n LEU 89 Cb 0.38 0.44 0.15 0.00 -2.33 0.00 0.00 43.42 42.06 2fnt n LEU 89 CO 0.35 0.44 1.28 -0.07 -1.33 0.00 0.00 177.39 178.05 2fnt h LEU 90 N 0.00 1.06 -0.89 2.23 3.38 -1.02 -1.78 115.31 118.30 2fnt h LEU 90 Ca -0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 2fnt h LEU 90 Cb 2.09 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 2fnt h LEU 90 CO 0.03 0.77 0.52 0.71 0.09 0.00 0.00 178.44 180.56 2fnt h THR 91 N 1.25 1.25 -0.06 0.22 1.35 -1.48 -1.71 112.91 113.74 2fnt h THR 91 Ca 0.34 -0.57 -0.06 0.00 -0.55 0.00 0.00 66.41 65.57 2fnt h THR 91 Cb -0.14 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.29 2fnt h THR 91 CO -0.07 0.27 -0.25 1.56 -0.25 0.00 0.00 175.52 176.77 2fnt h GLN 92 N 1.22 0.10 -0.10 4.72 4.20 -1.51 -1.85 115.11 121.89 2fnt h GLN 92 Ca 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2fnt h GLN 92 Cb -0.03 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2fnt h GLN 92 CO -0.06 0.35 0.00 0.44 -0.67 0.00 0.00 178.83 178.89 2fnt n ILE 93 N -4.20 0.11 -1.78 2.54 -5.35 -1.08 -4.94 119.36 104.65 2fnt n ILE 93 Ca -0.02 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2fnt n ILE 93 Cb 0.33 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 2fnt n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fnt n GLY 94 N 1.19 0.63 3.75 3.28 0.00 -0.70 -5.03 105.19 108.30 2fnt n GLY 94 Ca 0.18 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 2fnt n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fnt s THR 96 N -0.14 0.98 -0.10 0.00 -4.23 -1.26 -4.66 115.64 106.23 2fnt s THR 96 Ca 0.37 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.74 2fnt s THR 96 Cb -0.20 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 2fnt s THR 96 CO 0.22 -0.62 0.27 -0.76 -0.54 0.00 0.00 174.62 173.19 2fnt s LEU 97 N -3.18 4.37 -0.03 4.79 1.43 -1.26 -5.09 118.68 119.70 2fnt s LEU 97 Ca 0.20 0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2fnt s LEU 97 Cb 0.04 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.96 2fnt s LEU 97 CO 0.02 0.28 0.02 0.20 0.23 0.00 0.00 176.35 177.10 2fnt s ASN 98 N -0.53 0.41 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.69 2fnt s ASN 98 Ca 0.18 0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 2fnt s ASN 98 Cb -0.14 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 2fnt s ASN 98 CO 0.07 -0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.69