#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3k s GLN 2 N 0.00 2.87 -0.18 0.54 0.74 -1.26 -5.11 119.66 117.26 2f3k s GLN 2 Ca 0.00 -0.71 0.01 0.00 0.05 0.00 0.00 55.36 54.70 2f3k s GLN 2 Cb 0.00 -2.46 0.03 0.00 1.10 0.00 0.00 33.01 31.68 2f3k s GLN 2 CO 0.00 0.43 -0.16 0.42 -0.55 0.00 0.00 175.29 175.43 2f3k s ILE 3 N -0.23 1.82 0.88 -2.34 1.01 -1.26 -5.12 121.20 115.96 2f3k s ILE 3 Ca 0.01 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 2f3k s ILE 3 Cb -0.13 -1.72 0.13 0.00 0.01 0.00 0.00 42.46 40.75 2f3k s ILE 3 CO 0.03 0.41 1.24 0.42 0.00 0.00 0.00 174.94 177.04 2f3k s THR 4 N 1.37 2.00 -0.11 2.92 -4.23 -1.26 -5.01 115.64 111.31 2f3k s THR 4 Ca 0.03 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.69 2f3k s THR 4 Cb -0.14 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 70.94 2f3k s THR 4 CO -0.11 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.28 2f3k n LEU 5 N -3.53 2.33 -0.32 4.79 4.77 -1.26 -4.58 117.00 119.20 2f3k n LEU 5 Ca 0.11 -2.84 0.11 0.00 -0.03 0.00 0.00 56.01 53.36 2f3k n LEU 5 Cb 0.60 -0.34 0.33 0.00 -2.33 0.00 0.00 43.42 41.68 2f3k n LEU 5 CO 0.52 0.66 1.22 -0.50 -1.33 0.00 0.00 177.39 177.97 2f3k h TRP 6 N 0.08 0.97 -2.48 -1.77 4.06 -2.06 -3.43 115.95 111.32 2f3k h TRP 6 Ca 0.00 0.03 -0.52 0.00 2.06 0.00 0.00 58.89 60.46 2f3k h TRP 6 Cb 0.91 -0.30 -0.14 0.00 -1.00 0.00 0.00 29.16 28.63 2f3k h TRP 6 CO 0.02 0.33 -0.61 0.15 -3.56 0.00 0.00 178.44 174.77 2f3k s LYS 7 N -5.80 1.73 0.17 0.49 -0.14 -1.26 -5.10 119.74 109.83 2f3k s LYS 7 Ca -0.11 -1.96 -0.33 0.00 -1.36 0.00 0.00 55.97 52.21 2f3k s LYS 7 Cb 0.23 -1.12 -0.13 0.00 -1.68 0.00 0.00 37.83 35.13 2f3k s LYS 7 CO 0.80 -0.12 1.65 0.54 -0.76 0.00 0.00 175.35 177.45 2f3k n ARG 8 N -0.76 2.41 -2.12 1.68 1.74 -1.26 -4.83 116.66 113.52 2f3k n ARG 8 Ca -0.03 0.87 -0.40 0.00 -0.77 0.00 0.00 57.85 57.51 2f3k n ARG 8 Cb 0.66 -2.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.41 2f3k n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2f3k n PRO 9 N 3.75 2.67 -3.34 5.56 -0.04 -1.26 -4.93 135.00 137.42 2f3k n PRO 9 Ca 0.17 -2.82 -0.38 0.00 -0.04 0.00 0.00 63.50 60.43 2f3k n PRO 9 Cb 0.31 -3.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 2f3k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2f3k s LEU 10 N 4.46 4.40 0.20 1.53 1.43 -1.26 -1.37 118.68 128.07 2f3k s LEU 10 Ca 0.55 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2f3k s LEU 10 Cb 0.07 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 2f3k s LEU 10 CO 0.05 0.15 0.09 0.68 0.23 0.00 0.00 176.35 177.54 2f3k s VAL 11 N -0.26 0.32 -0.05 -1.59 -7.23 0.09 -4.92 120.40 106.75 2f3k s VAL 11 Ca 0.27 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.23 2f3k s VAL 11 Cb -0.17 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2f3k s VAL 11 CO 0.14 -0.16 0.66 -0.89 -0.31 0.00 0.00 175.10 174.54 2f3k s THR 12 N -3.92 5.00 0.30 5.32 2.01 -1.26 -0.54 115.64 122.54 2f3k s THR 12 Ca 0.34 1.37 0.11 0.00 0.31 0.00 0.00 61.69 63.82 2f3k s THR 12 Cb 0.07 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2f3k s THR 12 CO 0.09 0.31 -0.13 0.27 -0.69 0.00 0.00 174.62 174.47 2f3k s ILE 13 N 0.48 2.58 -0.09 1.82 -4.36 0.90 -1.59 121.20 120.94 2f3k s ILE 13 Ca 0.35 -2.26 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 2f3k s ILE 13 Cb -0.18 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.06 2f3k s ILE 13 CO 0.18 -0.34 -0.14 -0.60 0.24 0.00 0.00 174.94 174.27 2f3k s ARG 14 N -3.57 2.00 -0.04 0.37 3.52 0.23 -1.02 118.95 120.44 2f3k s ARG 14 Ca 0.31 -0.50 -0.07 0.00 -0.13 0.00 0.00 55.73 55.34 2f3k s ARG 14 Cb -0.03 -1.68 0.01 0.00 -1.56 0.00 0.00 34.95 31.69 2f3k s ARG 14 CO 0.16 -0.01 0.18 -1.50 -0.81 0.00 0.00 175.30 173.32 2f3k s ILE 15 N 0.83 0.04 0.00 4.11 2.07 -1.05 -1.01 121.20 126.19 2f3k s ILE 15 Ca -0.11 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 2f3k s ILE 15 Cb -0.15 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.07 2f3k s ILE 15 CO 0.01 -0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.48 2f3k n GLY 16 N 2.24 2.20 2.51 1.50 0.00 -1.26 -2.85 105.19 109.53 2f3k n GLY 16 Ca -0.17 0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 2f3k n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2f3k s GLY 17 N 0.00 1.35 0.00 -0.02 0.00 -1.26 -5.02 107.32 102.37 2f3k s GLY 17 Ca 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 44.72 42.27 2f3k s GLY 17 CO 0.00 1.92 0.00 -0.18 0.00 0.00 0.00 173.10 174.84 2f3k n GLN 18 N 3.19 0.00 -2.31 2.90 7.27 -1.13 -5.14 117.38 122.15 2f3k n GLN 18 Ca 0.21 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.88 2f3k n GLN 18 Cb 0.42 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.03 2f3k n GLN 18 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2f3k s LEU 19 N 0.00 4.46 0.07 1.69 1.43 -1.26 -2.54 118.68 122.53 2f3k s LEU 19 Ca 0.00 2.44 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 2f3k s LEU 19 Cb 0.00 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2f3k s LEU 19 CO 0.00 -0.36 0.00 -0.54 0.23 0.00 0.00 176.35 175.68 2f3k s LYS 20 N -1.69 0.68 -0.02 1.70 1.02 -0.18 -4.98 119.74 116.26 2f3k s LYS 20 Ca 0.48 -1.24 -0.15 0.00 0.02 0.00 0.00 55.97 55.07 2f3k s LYS 20 Cb -0.35 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.13 2f3k s LYS 20 CO 0.45 -0.15 0.41 -2.00 -0.92 0.00 0.00 175.35 173.14 2f3k s GLU 21 N -3.94 3.98 0.04 1.68 2.12 -1.26 -0.07 118.70 121.25 2f3k s GLU 21 Ca 0.10 0.39 -0.09 0.00 0.36 0.00 0.00 54.97 55.73 2f3k s GLU 21 Cb 0.08 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2f3k s GLU 21 CO -0.08 0.61 0.19 0.00 -0.54 0.00 0.00 175.26 175.44 2f3k s ALA 22 N -0.80 -0.35 -0.23 6.30 0.00 0.30 -4.39 121.76 122.60 2f3k s ALA 22 Ca 0.23 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 2f3k s ALA 22 Cb -0.16 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2f3k s ALA 22 CO 0.12 -0.37 0.34 -1.17 0.00 0.00 0.00 175.76 174.69 2f3k s LEU 23 N -2.14 4.11 -0.39 0.00 2.96 0.63 -0.73 118.68 123.12 2f3k s LEU 23 Ca -0.04 0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.94 2f3k s LEU 23 Cb -0.01 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.29 2f3k s LEU 23 CO -0.04 -0.08 1.25 -0.76 -1.32 0.00 0.00 176.35 175.40 2f3k s LEU 24 N 1.48 3.73 -0.31 -0.68 1.43 -0.47 -0.45 118.68 123.41 2f3k s LEU 24 Ca 0.15 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 2f3k s LEU 24 Cb -0.15 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 2f3k s LEU 24 CO 0.08 -1.20 0.06 -0.62 0.23 0.00 0.00 176.35 174.90 2f3k s ASP 25 N 2.83 4.20 0.07 2.29 3.68 -0.26 -4.78 116.67 124.70 2f3k s ASP 25 Ca 0.53 -1.71 0.20 0.00 2.13 0.00 0.00 52.55 53.70 2f3k s ASP 25 Cb -0.12 -1.13 0.84 0.00 -1.45 0.00 0.00 42.92 41.06 2f3k s ASP 25 CO 0.27 -0.38 1.64 0.35 0.13 0.00 0.00 175.17 177.18 2f3k n THR 26 N 4.65 0.73 1.06 1.71 -2.24 -1.26 -2.25 114.28 116.67 2f3k n THR 26 Ca -0.02 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 2f3k n THR 26 Cb 0.42 -0.90 0.36 0.00 -2.10 0.00 0.00 70.33 68.11 2f3k n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f3k n GLY 27 N 0.40 -1.21 3.64 3.38 0.00 -1.26 -4.83 105.19 105.32 2f3k n GLY 27 Ca 0.04 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 2f3k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3k s ALA 28 N -2.91 3.58 0.20 4.61 0.00 -0.95 -4.96 121.76 121.33 2f3k s ALA 28 Ca 0.14 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 2f3k s ALA 28 Cb 0.18 -2.42 0.12 0.00 0.00 0.00 0.00 23.12 21.00 2f3k s ALA 28 CO 0.63 -0.32 1.70 -0.44 0.00 0.00 0.00 175.76 177.34 2f3k h ASP 29 N 7.75 1.07 -1.69 0.00 3.32 -1.88 0.12 116.42 125.11 2f3k h ASP 29 Ca -0.37 -0.25 -0.60 0.00 0.02 0.00 0.00 57.03 55.83 2f3k h ASP 29 Cb 1.17 -0.28 -0.11 0.00 0.22 0.00 0.00 39.33 40.33 2f3k h ASP 29 CO 0.63 1.05 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.81 2f3k s ASP 30 N -6.49 4.07 -0.20 6.45 1.01 -1.26 -2.82 116.67 117.42 2f3k s ASP 30 Ca -0.12 -1.22 -0.07 0.00 0.71 0.00 0.00 52.55 51.85 2f3k s ASP 30 Cb 0.15 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 2f3k s ASP 30 CO 0.85 -0.43 0.07 -0.89 0.21 0.00 0.00 175.17 174.97 2f3k s THR 31 N -2.64 4.63 -0.12 -1.27 2.01 -1.26 -3.17 115.64 113.82 2f3k s THR 31 Ca 0.37 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2f3k s THR 31 Cb 0.06 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.48 2f3k s THR 31 CO 0.19 0.42 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.75 2f3k s VAL 32 N 0.78 1.24 0.06 3.82 1.01 -0.23 -0.76 120.40 126.32 2f3k s VAL 32 Ca 0.03 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2f3k s VAL 32 Cb -0.13 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2f3k s VAL 32 CO 0.02 0.40 -0.03 -0.76 0.00 0.00 0.00 175.10 174.73 2f3k s LEU 33 N 1.51 3.35 0.79 3.92 1.43 0.10 -0.43 118.68 129.35 2f3k s LEU 33 Ca 0.03 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 2f3k s LEU 33 Cb -0.13 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2f3k s LEU 33 CO -0.08 0.21 0.55 -1.84 0.23 0.00 0.00 176.35 175.43 2f3k n GLU 34 N 0.92 0.14 -1.65 1.70 0.28 -1.26 -2.01 120.64 118.77 2f3k n GLU 34 Ca -0.13 0.10 -0.54 0.00 -0.16 0.00 0.00 57.16 56.43 2f3k n GLU 34 Cb 0.52 -1.89 -0.06 0.00 1.43 0.00 0.00 31.44 31.44 2f3k n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2f3k n GLU 35 N -1.18 1.29 -3.65 3.44 4.07 -1.03 -4.52 120.64 119.06 2f3k n GLU 35 Ca 0.09 0.47 -0.15 0.00 -0.06 0.00 0.00 57.16 57.51 2f3k n GLU 35 Cb 0.51 -2.15 -0.08 0.00 -0.06 0.00 0.00 31.44 29.66 2f3k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2f3k s MET 36 N 2.03 0.83 -1.18 5.31 0.23 -1.26 -5.02 119.30 120.25 2f3k s MET 36 Ca 0.90 0.12 -0.07 0.00 -1.03 0.00 0.00 55.69 55.61 2f3k s MET 36 Cb -0.96 0.39 0.24 0.00 -1.53 0.00 0.00 34.83 32.96 2f3k s MET 36 CO 0.54 -0.23 1.65 -1.71 -2.03 0.00 0.00 175.02 173.24 2f3k n ASN 37 N 1.30 5.71 -4.77 -1.18 4.05 -1.26 -5.00 115.26 114.12 2f3k n ASN 37 Ca -0.19 -3.24 -0.39 0.00 0.45 0.00 0.00 54.58 51.21 2f3k n ASN 37 Cb 0.56 -1.39 -0.02 0.00 1.23 0.00 0.00 39.78 40.17 2f3k n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2f3k s LEU 38 N -1.29 4.30 0.63 1.20 1.43 -1.26 -5.02 118.68 118.66 2f3k s LEU 38 Ca 0.36 2.47 -0.14 0.00 -1.03 0.00 0.00 54.13 55.78 2f3k s LEU 38 Cb 0.06 -3.86 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 2f3k s LEU 38 CO 0.05 -0.61 1.06 -2.16 0.23 0.00 0.00 176.35 174.93 2f3k s PRO 39 N -2.06 3.13 0.00 1.29 0.04 -1.26 -4.96 135.00 131.18 2f3k s PRO 39 Ca 0.53 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2f3k s PRO 39 Cb -0.34 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2f3k s PRO 39 CO 0.44 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2f3k n GLY 40 N -1.17 -3.36 3.84 0.56 0.00 -1.26 -5.01 105.19 98.79 2f3k n GLY 40 Ca 0.09 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 2f3k n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3k s LYS 41 N -0.85 3.47 0.19 1.61 0.00 -1.26 -5.07 119.74 117.84 2f3k s LYS 41 Ca 0.00 0.92 -0.15 0.00 0.00 0.00 0.00 55.97 56.74 2f3k s LYS 41 Cb 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 37.83 35.78 2f3k s LYS 41 CO 0.00 -0.67 0.46 1.67 0.00 0.00 0.00 175.35 176.81 2f3k s TRP 42 N -2.91 0.06 0.04 1.78 1.48 -1.26 -4.63 118.94 113.50 2f3k s TRP 42 Ca 0.58 -0.41 0.08 0.00 -1.06 0.00 0.00 56.10 55.28 2f3k s TRP 42 Cb -0.12 0.27 -0.02 0.00 -1.16 0.00 0.00 33.47 32.43 2f3k s TRP 42 CO 0.46 -0.88 -0.22 0.15 -4.06 0.00 0.00 176.95 172.41 2f3k s LYS 43 N -3.91 1.47 0.45 3.25 -0.14 -0.57 -4.90 119.74 115.39 2f3k s LYS 43 Ca 0.12 -0.95 -0.23 0.00 -1.36 0.00 0.00 55.97 53.55 2f3k s LYS 43 Cb 0.00 -1.58 -0.08 0.00 -1.68 0.00 0.00 37.83 34.49 2f3k s LYS 43 CO -0.01 0.41 1.18 -1.25 -0.76 0.00 0.00 175.35 174.92 2f3k s PRO 44 N -1.13 3.80 0.02 -1.68 0.04 -1.26 -0.23 135.00 134.55 2f3k s PRO 44 Ca 0.08 1.82 -0.16 0.00 0.04 0.00 0.00 61.00 62.78 2f3k s PRO 44 Cb -0.09 -2.47 0.03 0.00 0.04 0.00 0.00 34.50 32.01 2f3k s PRO 44 CO 0.02 -0.53 0.35 0.21 0.04 0.00 0.00 177.00 177.08 2f3k s LYS 45 N -2.61 0.79 -0.06 4.56 2.20 -0.54 -4.86 119.74 119.23 2f3k s LYS 45 Ca 0.62 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.96 2f3k s LYS 45 Cb -0.30 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 2f3k s LYS 45 CO 0.37 -0.24 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.25 2f3k s MET 46 N -2.01 2.33 -0.04 4.03 -1.94 -1.26 -0.75 119.30 119.67 2f3k s MET 46 Ca -0.09 -0.79 0.03 0.00 -1.71 0.00 0.00 55.69 53.14 2f3k s MET 46 Cb -0.02 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.86 2f3k s MET 46 CO 0.00 0.30 -0.13 -1.50 -0.01 0.00 0.00 175.02 173.69 2f3k s ILE 47 N -0.01 1.08 0.06 2.53 -1.16 -0.33 -4.93 121.20 118.44 2f3k s ILE 47 Ca -0.06 -0.52 0.08 0.00 -0.51 0.00 0.00 60.65 59.64 2f3k s ILE 47 Cb -0.14 -0.95 -0.03 0.00 0.61 0.00 0.00 42.46 41.96 2f3k s ILE 47 CO 0.04 0.32 -0.20 -0.83 -2.81 0.00 0.00 174.94 171.47 2f3k s GLY 48 N 0.17 1.58 0.00 1.50 0.00 -1.26 -1.17 107.32 108.13 2f3k s GLY 48 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2f3k s GLY 48 CO 0.01 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.56 2f3k n GLY 49 N 1.39 3.67 3.71 0.20 0.00 -0.82 -5.00 105.19 108.34 2f3k n GLY 49 Ca -0.16 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2f3k n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2f3k n ILE 50 N 0.00 0.08 0.00 -0.61 5.41 -1.26 -1.83 119.36 121.15 2f3k n ILE 50 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2f3k n ILE 50 Cb 0.00 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 36.96 2f3k n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2f3k n GLY 51 N 3.97 1.27 0.00 7.39 0.00 -1.26 -4.96 105.19 111.61 2f3k n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2f3k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3k n GLY 52 N -2.00 0.59 3.81 -0.02 0.00 -0.76 -5.07 105.19 101.74 2f3k n GLY 52 Ca 0.00 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 2f3k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f3k s PHE 53 N -0.40 3.30 0.20 1.61 0.40 -1.26 -1.94 117.98 119.89 2f3k s PHE 53 Ca 0.00 0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.59 2f3k s PHE 53 Cb 0.00 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 2f3k s PHE 53 CO 0.00 0.55 -0.16 0.96 0.70 0.00 0.00 175.22 177.27 2f3k s ILE 54 N -1.33 1.84 0.04 0.64 -4.36 -0.32 -4.93 121.20 112.78 2f3k s ILE 54 Ca 0.28 -2.15 -0.24 0.00 -0.26 0.00 0.00 60.65 58.27 2f3k s ILE 54 Cb -0.12 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 2f3k s ILE 54 CO 0.20 -0.50 0.74 -0.54 0.24 0.00 0.00 174.94 175.08 2f3k s LYS 55 N -3.39 4.47 0.14 0.37 1.02 -1.26 -1.19 119.74 119.90 2f3k s LYS 55 Ca 0.21 1.01 0.00 0.00 0.02 0.00 0.00 55.97 57.22 2f3k s LYS 55 Cb -0.03 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2f3k s LYS 55 CO 0.08 0.30 0.03 0.14 -0.92 0.00 0.00 175.35 174.98 2f3k s VAL 56 N -0.10 0.32 -0.22 3.17 -7.23 0.07 -4.50 120.40 111.90 2f3k s VAL 56 Ca 0.37 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 2f3k s VAL 56 Cb -0.20 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 2f3k s VAL 56 CO 0.22 -0.48 0.06 -0.13 -0.31 0.00 0.00 175.10 174.45 2f3k s ARG 57 N -4.00 3.74 -0.31 4.82 0.52 0.42 -1.46 118.95 122.68 2f3k s ARG 57 Ca 0.24 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.83 2f3k s ARG 57 Cb 0.07 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 2f3k s ARG 57 CO 0.02 -0.02 0.47 -1.14 0.02 0.00 0.00 175.30 174.66 2f3k s GLN 58 N 1.14 3.79 -0.10 3.54 0.74 0.68 -0.65 119.66 128.79 2f3k s GLN 58 Ca 0.04 -0.04 -0.01 0.00 0.05 0.00 0.00 55.36 55.40 2f3k s GLN 58 Cb -0.14 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 2f3k s GLN 58 CO 0.03 -0.50 -0.06 0.71 -0.55 0.00 0.00 175.29 174.92 2f3k s TYR 59 N 2.28 2.98 0.13 1.67 1.51 -0.17 -1.51 117.35 124.25 2f3k s TYR 59 Ca 0.18 -0.11 0.04 0.00 -1.01 0.00 0.00 57.07 56.17 2f3k s TYR 59 Cb -0.16 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 2f3k s TYR 59 CO 0.12 0.19 0.11 -0.51 -1.11 0.00 0.00 175.55 174.34 2f3k s ASP 60 N -0.35 5.48 -1.41 2.29 1.01 -1.26 -0.43 116.67 121.99 2f3k s ASP 60 Ca 0.05 -0.10 -0.04 0.00 0.71 0.00 0.00 52.55 53.17 2f3k s ASP 60 Cb -0.12 -1.43 0.03 0.00 1.01 0.00 0.00 42.92 42.40 2f3k s ASP 60 CO 0.02 0.11 0.66 0.00 0.21 0.00 0.00 175.17 176.17 2f3k n GLN 61 N -0.04 -4.35 -3.34 8.23 1.13 -1.07 -4.90 117.38 113.04 2f3k n GLN 61 Ca -0.09 0.53 -0.39 0.00 -1.94 0.00 0.00 57.00 55.11 2f3k n GLN 61 Cb 0.54 -5.01 -0.08 0.00 0.11 0.00 0.00 30.24 25.80 2f3k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2f3k s ILE 62 N -3.68 5.15 0.08 5.09 -1.09 -0.17 -4.74 121.20 121.86 2f3k s ILE 62 Ca 0.17 0.72 -0.31 0.00 -2.23 0.00 0.00 60.65 59.00 2f3k s ILE 62 Cb -0.09 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 2f3k s ILE 62 CO 0.85 0.18 1.39 -2.84 -1.23 0.00 0.00 174.94 173.29 2f3k s PRO 63 N 1.81 4.31 0.04 2.79 0.02 -1.26 -2.13 135.00 140.59 2f3k s PRO 63 Ca 0.19 2.04 0.05 0.00 0.02 0.00 0.00 61.00 63.30 2f3k s PRO 63 Cb -0.15 -3.34 -0.02 0.00 0.02 0.00 0.00 34.50 31.00 2f3k s PRO 63 CO 0.09 -0.47 -0.14 0.42 -0.33 0.00 0.00 177.00 176.57 2f3k s ILE 64 N 1.45 1.13 -0.16 2.83 1.01 -0.40 -4.39 121.20 122.66 2f3k s ILE 64 Ca 0.64 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 2f3k s ILE 64 Cb -0.35 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 2f3k s ILE 64 CO 0.29 -0.00 -0.06 -0.70 0.00 0.00 0.00 174.94 174.47 2f3k s GLU 65 N -1.17 3.56 -0.25 2.79 2.12 -0.18 -0.03 118.70 125.53 2f3k s GLU 65 Ca 0.01 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.78 2f3k s GLU 65 Cb -0.08 -2.87 0.04 0.00 0.26 0.00 0.00 34.13 31.48 2f3k s GLU 65 CO 0.01 0.15 -0.09 0.42 -0.54 0.00 0.00 175.26 175.22 2f3k s ILE 66 N 0.57 2.48 -1.35 -3.70 1.01 0.57 -0.60 121.20 120.17 2f3k s ILE 66 Ca -0.04 -1.35 -0.03 0.00 0.00 0.00 0.00 60.65 59.23 2f3k s ILE 66 Cb -0.15 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.99 2f3k s ILE 66 CO 0.03 0.08 0.22 0.00 0.00 0.00 0.00 174.94 175.28 2f3k n GLY 68 N -1.07 0.92 3.65 0.00 0.00 -1.26 -5.03 105.19 102.39 2f3k n GLY 68 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2f3k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f3k s HIS 69 N -3.20 3.30 0.24 1.61 4.02 -0.06 -5.07 115.29 116.12 2f3k s HIS 69 Ca 0.00 0.17 -0.30 0.00 1.02 0.00 0.00 55.06 55.95 2f3k s HIS 69 Cb 0.00 -2.22 -0.09 0.00 -1.02 0.00 0.00 32.58 29.25 2f3k s HIS 69 CO 0.00 0.08 1.01 0.15 1.02 0.00 0.00 174.74 177.00 2f3k s LYS 70 N 0.88 4.75 0.16 1.40 1.02 -1.26 -0.32 119.74 126.37 2f3k s LYS 70 Ca 0.07 1.61 -0.03 0.00 0.02 0.00 0.00 55.97 57.64 2f3k s LYS 70 Cb -0.13 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2f3k s LYS 70 CO 0.03 0.35 0.13 0.00 -0.92 0.00 0.00 175.35 174.94 2f3k s ALA 71 N -0.99 0.72 -0.24 5.17 0.00 0.95 -4.75 121.76 122.63 2f3k s ALA 71 Ca 0.43 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 2f3k s ALA 71 Cb -0.28 0.99 0.08 0.00 0.00 0.00 0.00 23.12 23.91 2f3k s ALA 71 CO 0.35 -0.56 0.55 -1.50 0.00 0.00 0.00 175.76 174.61 2f3k s ILE 72 N -4.06 -0.30 -0.30 0.00 2.07 -1.26 -1.28 121.20 116.08 2f3k s ILE 72 Ca 0.26 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.56 2f3k s ILE 72 Cb 0.06 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.82 2f3k s ILE 72 CO 0.04 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 2f3k n GLY 73 N 4.69 -0.61 3.74 1.50 0.00 -0.90 -4.86 105.19 108.74 2f3k n GLY 73 Ca -0.18 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2f3k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3k s THR 74 N -3.20 4.53 -0.05 2.61 2.01 -1.26 -1.00 115.64 119.28 2f3k s THR 74 Ca 0.00 1.94 0.01 0.00 0.31 0.00 0.00 61.69 63.95 2f3k s THR 74 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.27 2f3k s THR 74 CO 0.00 0.35 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.53 2f3k s VAL 75 N -0.13 0.63 -0.14 3.82 1.01 0.43 -4.49 120.40 121.54 2f3k s VAL 75 Ca 0.44 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 2f3k s VAL 75 Cb -0.23 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2f3k s VAL 75 CO 0.28 0.25 0.13 -0.76 0.00 0.00 0.00 175.10 175.00 2f3k s LEU 76 N 0.96 4.32 -0.09 3.92 1.43 0.06 -1.00 118.68 128.29 2f3k s LEU 76 Ca -0.10 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2f3k s LEU 76 Cb -0.14 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.01 2f3k s LEU 76 CO 0.00 0.35 -0.18 -0.69 0.23 0.00 0.00 176.35 176.05 2f3k s VAL 77 N -0.65 1.64 -0.08 -1.59 1.01 0.17 0.02 120.40 120.92 2f3k s VAL 77 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2f3k s VAL 77 Cb -0.12 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.81 2f3k s VAL 77 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2f3k n GLY 78 N 3.73 -1.21 2.69 4.51 0.00 -0.85 -0.44 105.19 113.62 2f3k n GLY 78 Ca -0.21 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2f3k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f3k n PRO 79 N -0.00 2.93 -3.63 1.61 -0.04 -1.26 -2.45 135.00 132.15 2f3k n PRO 79 Ca 0.00 -2.55 -0.34 0.00 -0.04 0.00 0.00 63.50 60.57 2f3k n PRO 79 Cb 0.00 -3.23 -0.05 0.00 -0.04 0.00 0.00 33.50 30.18 2f3k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2f3k s THR 80 N 3.11 5.15 -1.68 0.52 -1.32 -1.26 -5.01 115.64 115.14 2f3k s THR 80 Ca 0.50 0.30 0.30 0.00 -1.21 0.00 0.00 61.69 61.58 2f3k s THR 80 Cb 0.14 -3.63 0.64 0.00 -1.51 0.00 0.00 72.50 68.15 2f3k s THR 80 CO -0.08 0.24 2.07 -0.81 -2.21 0.00 0.00 174.62 173.82 2f3k n PRO 81 N 0.73 0.70 -3.72 7.08 -0.04 -1.26 -4.56 135.00 133.93 2f3k n PRO 81 Ca -0.07 -0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 2f3k n PRO 81 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2f3k n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2f3k s VAL 82 N -2.35 -0.01 0.14 0.52 0.11 -1.26 -5.08 120.40 112.47 2f3k s VAL 82 Ca 0.35 0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 59.12 2f3k s VAL 82 Cb 0.21 -0.61 -0.08 0.00 -1.53 0.00 0.00 36.38 34.36 2f3k s VAL 82 CO 0.43 0.01 1.37 0.20 -3.33 0.00 0.00 175.10 173.79 2f3k s ASN 83 N 0.59 6.83 -0.20 3.54 0.01 -1.26 -4.60 114.94 119.85 2f3k s ASN 83 Ca -0.03 2.35 0.00 0.00 -0.71 0.00 0.00 52.86 54.48 2f3k s ASN 83 Cb -0.05 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 39.07 2f3k s ASN 83 CO -0.04 -0.63 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.22 2f3k s ILE 84 N 0.85 1.49 -0.40 0.60 -1.09 0.43 -0.27 121.20 122.81 2f3k s ILE 84 Ca 0.63 -0.96 -0.23 0.00 -2.23 0.00 0.00 60.65 57.85 2f3k s ILE 84 Cb -0.37 -1.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.90 2f3k s ILE 84 CO 0.32 0.10 0.80 -0.63 -1.23 0.00 0.00 174.94 174.31 2f3k s ILE 85 N 1.45 4.68 0.43 2.92 -1.09 0.40 -1.07 121.20 128.93 2f3k s ILE 85 Ca -0.02 0.75 0.05 0.00 -2.23 0.00 0.00 60.65 59.20 2f3k s ILE 85 Cb -0.17 -4.26 0.07 0.00 -1.58 0.00 0.00 42.46 36.53 2f3k s ILE 85 CO -0.08 -0.55 0.59 0.61 -1.23 0.00 0.00 174.94 174.28 2f3k n GLY 86 N 4.69 1.65 0.26 6.18 0.00 -1.19 -1.11 105.19 115.67 2f3k n GLY 86 Ca 0.03 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 44.00 2f3k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2f3k h ARG 87 N 0.00 0.00 -0.28 1.61 3.08 -0.73 -1.41 114.38 116.64 2f3k h ARG 87 Ca -0.20 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.87 2f3k h ARG 87 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2f3k h ARG 87 CO 0.26 0.08 0.19 -2.95 -1.07 0.00 0.00 179.97 176.48 2f3k h ASN 88 N 0.00 0.28 0.00 7.04 -1.07 -1.78 -2.22 115.58 117.82 2f3k h ASN 88 Ca -0.00 -0.01 -0.37 0.00 0.07 0.00 0.00 56.30 55.99 2f3k h ASN 88 Cb 0.16 -0.07 -0.07 0.00 -2.07 0.00 0.00 38.32 36.27 2f3k h ASN 88 CO 0.01 0.20 -2.40 0.18 0.07 0.00 0.00 177.43 175.49 2f3k n LEU 89 N -4.50 0.56 -0.13 6.14 4.77 -0.79 -4.38 117.00 118.68 2f3k n LEU 89 Ca 0.02 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 2f3k n LEU 89 Cb 0.11 0.23 0.36 0.00 -2.33 0.00 0.00 43.42 41.79 2f3k n LEU 89 CO 0.35 0.58 1.21 -0.07 -1.33 0.00 0.00 177.39 178.12 2f3k h LEU 90 N 0.00 0.63 -1.15 2.23 3.38 -1.13 -1.00 115.31 118.27 2f3k h LEU 90 Ca -0.55 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 2f3k h LEU 90 Cb 2.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 2f3k h LEU 90 CO 0.01 0.43 -0.04 0.71 0.09 0.00 0.00 178.44 179.64 2f3k h THR 91 N 0.73 1.21 0.00 0.22 1.35 -1.62 -2.07 112.91 112.73 2f3k h THR 91 Ca 0.26 -0.88 -0.06 0.00 -0.55 0.00 0.00 66.41 65.17 2f3k h THR 91 Cb 0.12 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 2f3k h THR 91 CO -0.07 0.30 -0.31 1.56 -0.25 0.00 0.00 175.52 176.75 2f3k h GLN 92 N 0.52 0.00 -0.68 4.72 4.20 -1.38 -2.21 115.11 120.28 2f3k h GLN 92 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2f3k h GLN 92 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2f3k h GLN 92 CO 0.02 0.31 0.00 0.44 -0.67 0.00 0.00 178.83 178.93 2f3k n ILE 93 N -3.62 0.91 -2.22 2.54 -5.35 -1.09 -4.95 119.36 105.58 2f3k n ILE 93 Ca -0.01 -0.94 -0.06 0.00 -0.27 0.00 0.00 62.75 61.47 2f3k n ILE 93 Cb 0.43 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 2f3k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f3k n GLY 94 N 1.64 0.16 3.73 3.28 0.00 -0.83 -4.99 105.19 108.18 2f3k n GLY 94 Ca 0.24 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2f3k n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3k s THR 96 N 0.14 1.35 -0.01 0.00 -4.23 -1.26 -4.73 115.64 106.90 2f3k s THR 96 Ca 0.46 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 2f3k s THR 96 Cb -0.22 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 2f3k s THR 96 CO 0.28 -0.64 0.33 -0.76 -0.54 0.00 0.00 174.62 173.30 2f3k s LEU 97 N -3.24 4.42 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.70 2f3k s LEU 97 Ca 0.20 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 2f3k s LEU 97 Cb 0.02 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.71 2f3k s LEU 97 CO 0.04 0.31 0.01 0.20 0.23 0.00 0.00 176.35 177.13 2f3k s ASN 98 N -1.26 0.36 0.00 2.29 -0.87 -1.26 -5.30 114.94 108.90 2f3k s ASN 98 Ca 0.24 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.52 2f3k s ASN 98 Cb -0.15 -0.19 0.00 0.00 -0.02 0.00 0.00 41.25 40.89 2f3k s ASN 98 CO 0.12 -0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.77