#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0g s LYS 3 N 0.00 4.51 0.46 1.20 1.02 -1.26 -4.94 119.74 120.72 2p0g s LYS 3 Ca 0.00 1.38 -0.24 0.00 0.02 0.00 0.00 55.97 57.13 2p0g s LYS 3 Cb 0.00 -3.49 -0.07 0.00 -0.52 0.00 0.00 37.83 33.75 2p0g s LYS 3 CO 0.00 -0.13 1.29 0.00 -0.92 0.00 0.00 175.35 175.59 2p0g s ALA 4 N 1.33 3.08 -0.24 5.17 0.00 0.67 -4.32 121.76 127.45 2p0g s ALA 4 Ca 0.50 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2p0g s ALA 4 Cb -0.20 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.47 2p0g s ALA 4 CO 0.24 -0.95 -0.10 -0.65 0.00 0.00 0.00 175.76 174.30 2p0g s GLN 5 N -2.53 2.67 -0.11 0.00 -0.21 -1.26 0.08 119.66 118.30 2p0g s GLN 5 Ca 0.62 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.93 2p0g s GLN 5 Cb -0.37 -2.88 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 2p0g s GLN 5 CO 0.46 -0.42 -0.12 0.42 -2.12 0.00 0.00 175.29 173.50 2p0g s ILE 6 N 1.25 3.19 -0.07 1.08 1.01 -0.63 -0.21 121.20 126.80 2p0g s ILE 6 Ca -0.02 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.05 2p0g s ILE 6 Cb -0.17 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 2p0g s ILE 6 CO -0.06 0.54 -0.22 -1.61 0.00 0.00 0.00 174.94 173.59 2p0g s GLU 7 N 0.02 2.57 -0.22 2.79 0.41 -0.09 -0.02 118.70 124.16 2p0g s GLU 7 Ca -0.03 -0.80 0.01 0.00 -0.41 0.00 0.00 54.97 53.73 2p0g s GLU 7 Cb -0.14 -2.06 0.05 0.00 -1.78 0.00 0.00 34.13 30.20 2p0g s GLU 7 CO 0.04 0.24 -0.10 0.42 -0.49 0.00 0.00 175.26 175.37 2p0g s ILE 8 N 0.16 1.78 -0.24 -1.63 1.01 0.69 -0.45 121.20 122.53 2p0g s ILE 8 Ca -0.11 -1.19 -0.09 0.00 0.00 0.00 0.00 60.65 59.25 2p0g s ILE 8 Cb -0.15 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2p0g s ILE 8 CO 0.06 0.11 0.13 -0.31 0.00 0.00 0.00 174.94 174.93 2p0g s TYR 9 N 1.32 3.22 0.02 3.97 1.51 0.51 0.19 117.35 128.09 2p0g s TYR 9 Ca -0.03 0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2p0g s TYR 9 Cb -0.17 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.40 2p0g s TYR 9 CO -0.07 -0.09 -0.11 1.52 -1.11 0.00 0.00 175.55 175.68 2p0g s TYR 10 N 1.29 1.00 -0.09 2.71 1.13 -0.91 -0.68 117.35 121.80 2p0g s TYR 10 Ca 0.06 -0.28 -0.30 0.00 -1.41 0.00 0.00 57.07 55.14 2p0g s TYR 10 Cb -0.14 -0.61 -0.08 0.00 -1.10 0.00 0.00 41.96 40.03 2p0g s TYR 10 CO 0.06 -0.00 2.08 0.00 -2.51 0.00 0.00 175.55 175.17 2p0g h ARG 12 N 12.35 0.61 -0.24 0.00 2.43 -0.15 -2.80 114.38 126.58 2p0g h ARG 12 Ca -0.46 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2p0g h ARG 12 Cb 1.25 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2p0g h ARG 12 CO 0.95 0.40 0.00 0.00 -1.51 0.00 0.00 179.97 179.81 2p0g n GLN 13 N -4.66 2.06 -0.09 0.20 10.64 -1.26 -4.37 117.38 119.91 2p0g n GLN 13 Ca 0.22 -1.93 0.10 0.00 -1.83 0.00 0.00 57.00 53.55 2p0g n GLN 13 Cb 0.63 -1.40 0.35 0.00 -0.86 0.00 0.00 30.24 28.96 2p0g n GLN 13 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2p0g n ASN 15 N 0.30 -2.08 -3.69 0.00 4.05 -1.26 -5.07 115.26 107.51 2p0g n ASN 15 Ca 0.15 -0.59 -0.33 0.00 0.45 0.00 0.00 54.58 54.26 2p0g n ASN 15 Cb 0.31 -4.91 -0.05 0.00 1.23 0.00 0.00 39.78 36.36 2p0g n ASN 15 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 2p0g n TRP 16 N -3.97 3.29 0.00 1.20 8.01 -1.26 -4.81 117.44 119.89 2p0g n TRP 16 Ca -0.27 -3.69 0.00 0.00 -1.31 0.00 0.00 57.50 52.23 2p0g n TRP 16 Cb 0.66 -0.83 0.00 0.00 -2.01 0.00 0.00 31.31 29.13 2p0g n TRP 16 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2p0g n LEU 18 N 1.19 0.00 0.25 -0.99 4.32 -1.26 -1.98 117.00 118.53 2p0g n LEU 18 Ca 0.27 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.37 2p0g n LEU 18 Cb 0.38 0.00 0.64 0.00 -1.62 0.00 0.00 43.42 42.82 2p0g n LEU 18 CO 0.49 0.00 0.92 0.08 -1.22 0.00 0.00 177.39 177.67 2p0g h ARG 19 N 0.00 0.00 -0.07 3.23 0.11 -2.00 -1.61 114.38 114.04 2p0g h ARG 19 Ca 0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 2p0g h ARG 19 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 2p0g h ARG 19 CO 0.00 0.16 -0.56 0.77 0.10 0.00 0.00 179.97 180.44 2p0g h SER 20 N 0.00 0.61 -0.25 0.08 0.02 -1.81 -2.05 113.55 110.14 2p0g h SER 20 Ca -0.00 -0.68 -0.05 0.00 -0.84 0.00 0.00 61.79 60.21 2p0g h SER 20 Cb 0.42 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2p0g h SER 20 CO 0.02 1.20 -0.01 0.00 -1.14 0.00 0.00 176.83 176.90 2p0g h ALA 21 N 0.42 1.32 0.46 3.77 0.00 -1.75 -0.64 119.26 122.84 2p0g h ALA 21 Ca -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2p0g h ALA 21 Cb 1.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2p0g h ALA 21 CO 0.11 0.47 -0.22 2.35 0.00 0.00 0.00 179.25 181.96 2p0g h TRP 22 N 0.54 -0.57 -0.83 0.00 7.01 -1.27 -1.97 115.95 118.85 2p0g h TRP 22 Ca 0.11 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.21 2p0g h TRP 22 Cb 0.36 0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.55 2p0g h TRP 22 CO 0.01 -0.25 0.54 -0.07 -2.79 0.00 0.00 178.44 175.88 2p0g h LEU 23 N -0.89 0.66 -0.44 0.65 3.38 -1.23 -0.16 115.31 117.29 2p0g h LEU 23 Ca -0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2p0g h LEU 23 Cb 0.58 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2p0g h LEU 23 CO 0.10 0.37 0.26 -1.28 0.09 0.00 0.00 178.44 177.99 2p0g h SER 24 N 0.72 0.53 0.13 -0.43 0.87 -0.99 -2.22 113.55 112.16 2p0g h SER 24 Ca 0.39 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.79 2p0g h SER 24 Cb 0.54 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2p0g h SER 24 CO -0.16 0.44 -0.37 1.56 -0.53 0.00 0.00 176.83 177.76 2p0g h GLN 25 N 0.58 0.33 -0.62 2.24 4.20 -0.37 -1.08 115.11 120.38 2p0g h GLN 25 Ca 0.16 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2p0g h GLN 25 Cb 0.01 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2p0g h GLN 25 CO -0.03 0.66 0.37 0.93 -0.67 0.00 0.00 178.83 180.09 2p0g h GLU 26 N 0.28 0.84 -0.15 1.46 4.39 -0.71 0.23 114.58 120.92 2p0g h GLU 26 Ca 0.03 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 2p0g h GLU 26 Cb 0.79 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2p0g h GLU 26 CO 0.06 0.61 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.24 2p0g h LEU 27 N 0.84 0.45 -1.52 1.33 3.38 -1.19 -1.72 115.31 116.88 2p0g h LEU 27 Ca 0.22 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2p0g h LEU 27 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2p0g h LEU 27 CO -0.04 0.87 0.05 -0.07 0.09 0.00 0.00 178.44 179.34 2p0g h LEU 28 N 0.04 0.33 -0.03 1.67 3.38 -1.06 0.87 115.31 120.51 2p0g h LEU 28 Ca 0.02 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2p0g h LEU 28 Cb 0.77 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.44 2p0g h LEU 28 CO 0.05 0.34 -0.55 -0.74 0.09 0.00 0.00 178.44 177.63 2p0g h HIS 29 N 0.36 0.61 -0.00 1.13 2.76 -0.89 -2.39 115.15 116.72 2p0g h HIS 29 Ca 0.09 -0.31 -0.25 0.00 -2.20 0.00 0.00 60.37 57.70 2p0g h HIS 29 Cb 0.16 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 29.05 2p0g h HIS 29 CO 0.00 1.11 -0.99 1.15 -1.30 0.00 0.00 177.93 177.91 2p0g h THR 30 N -0.07 1.34 -1.04 6.26 2.02 -1.10 -3.34 112.91 116.98 2p0g h THR 30 Ca -0.06 -2.35 -0.58 0.00 0.77 0.00 0.00 66.41 64.19 2p0g h THR 30 Cb 1.24 2.39 -0.41 0.00 -1.74 0.00 0.00 68.15 69.64 2p0g h THR 30 CO 0.11 0.71 -0.57 0.49 0.37 0.00 0.00 175.52 176.64 2p0g n PHE 31 N -3.80 2.99 0.25 3.16 3.72 0.28 -4.83 117.46 119.24 2p0g n PHE 31 Ca -0.09 -2.55 0.18 0.00 -0.05 0.00 0.00 57.45 54.94 2p0g n PHE 31 Cb 0.86 -0.40 0.85 0.00 -0.94 0.00 0.00 39.48 39.85 2p0g n PHE 31 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2p0g h SER 32 N 2.31 0.00 0.00 4.37 4.64 -1.56 -2.00 113.55 121.32 2p0g h SER 32 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2p0g h SER 32 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2p0g h SER 32 CO 0.89 0.00 -0.77 -0.62 -0.87 0.00 0.00 176.83 175.46 2p0g n GLU 33 N -3.30 2.20 -0.00 4.77 1.02 -1.26 -4.48 120.64 119.59 2p0g n GLU 33 Ca 0.01 -0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.21 2p0g n GLU 33 Cb 0.39 -1.17 0.06 0.00 -0.02 0.00 0.00 31.44 30.70 2p0g n GLU 33 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2p0g n GLU 34 N -1.41 1.10 -4.15 3.49 4.71 -0.81 -4.96 120.64 118.62 2p0g n GLU 34 Ca 0.02 -1.40 -0.34 0.00 -0.01 0.00 0.00 57.16 55.42 2p0g n GLU 34 Cb 0.23 -1.29 -0.10 0.00 -1.01 0.00 0.00 31.44 29.27 2p0g n GLU 34 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2p0g s ILE 35 N -1.26 4.50 -0.06 -3.67 1.01 -0.87 -0.24 121.20 120.62 2p0g s ILE 35 Ca 0.18 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.46 2p0g s ILE 35 Cb 0.13 -3.00 -0.29 0.00 0.01 0.00 0.00 42.46 39.31 2p0g s ILE 35 CO 0.19 0.49 0.91 -0.08 0.00 0.00 0.00 174.94 176.45 2p0g h GLU 36 N 6.52 0.25 -1.67 2.79 4.81 -0.55 -3.45 114.58 123.29 2p0g h GLU 36 Ca -0.37 -0.39 0.19 0.00 -0.13 0.00 0.00 59.36 58.66 2p0g h GLU 36 Cb 1.18 0.14 -0.19 0.00 0.63 0.00 0.00 28.75 30.50 2p0g h GLU 36 CO 0.67 1.16 0.70 1.52 -0.73 0.00 0.00 179.01 182.33 2p0g s TYR 37 N -2.55 -0.22 -0.14 0.92 -0.85 -1.16 -5.05 117.35 108.30 2p0g s TYR 37 Ca -0.15 0.20 0.02 0.00 -0.52 0.00 0.00 57.07 56.62 2p0g s TYR 37 Cb 0.01 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.87 2p0g s TYR 37 CO 0.80 -0.30 -0.18 0.08 -1.52 0.00 0.00 175.55 174.43 2p0g s VAL 38 N -2.30 1.77 -0.08 -3.49 1.01 -1.26 -1.61 120.40 114.45 2p0g s VAL 38 Ca 0.06 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2p0g s VAL 38 Cb -0.01 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2p0g s VAL 38 CO -0.05 0.49 -0.16 0.00 0.00 0.00 0.00 175.10 175.38 2p0g s ALA 39 N 1.09 2.54 -0.23 5.51 0.00 0.97 -4.99 121.76 126.64 2p0g s ALA 39 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 2p0g s ALA 39 Cb -0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2p0g s ALA 39 CO -0.05 0.43 0.11 -0.51 0.00 0.00 0.00 175.76 175.73 2p0g s LEU 40 N -0.25 3.82 -0.36 0.00 1.43 -1.26 -0.22 118.68 121.84 2p0g s LEU 40 Ca 0.01 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2p0g s LEU 40 Cb -0.13 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.15 2p0g s LEU 40 CO 0.03 0.05 0.11 -1.00 0.23 0.00 0.00 176.35 175.77 2p0g s HIS 41 N 1.12 3.41 0.14 0.29 3.76 0.13 -4.95 115.29 119.18 2p0g s HIS 41 Ca 0.06 -2.04 -0.31 0.00 -0.15 0.00 0.00 55.06 52.62 2p0g s HIS 41 Cb -0.14 -2.65 -0.10 0.00 1.11 0.00 0.00 32.58 30.81 2p0g s HIS 41 CO 0.04 -0.87 1.58 -1.25 -0.85 0.00 0.00 174.74 173.40 2p0g s PRO 42 N 1.23 4.21 0.00 8.40 0.04 -1.26 -2.13 135.00 145.49 2p0g s PRO 42 Ca 0.01 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2p0g s PRO 42 Cb -0.21 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2p0g s PRO 42 CO -0.02 -0.63 0.00 -3.47 0.04 0.00 0.00 177.00 172.92 2p0g n ASP 43 N 4.36 1.55 -4.95 6.66 -0.08 0.30 -4.83 116.55 119.56 2p0g n ASP 43 Ca 0.14 -0.59 -0.20 0.00 -1.51 0.00 0.00 54.79 52.63 2p0g n ASP 43 Cb 0.39 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.89 2p0g n ASP 43 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2p0g s THR 44 N -0.50 2.65 -0.02 5.18 -4.23 -1.26 0.54 115.64 118.00 2p0g s THR 44 Ca 0.00 -0.74 -0.13 0.00 -1.18 0.00 0.00 61.69 59.63 2p0g s THR 44 Cb 0.00 -2.91 -0.07 0.00 1.34 0.00 0.00 72.50 70.86 2p0g s THR 44 CO 0.00 0.00 0.37 0.61 -0.54 0.00 0.00 174.62 175.06 2p0g n GLY 45 N -2.29 -0.07 4.10 3.99 0.00 -1.26 -2.27 105.19 107.39 2p0g n GLY 45 Ca 0.09 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2p0g n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p0g n GLY 46 N 0.60 0.00 3.74 -0.02 0.00 -1.26 -4.95 105.19 103.30 2p0g n GLY 46 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2p0g n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2p0g s ARG 47 N -0.77 4.58 -0.29 1.61 3.52 -0.96 -4.89 118.95 121.76 2p0g s ARG 47 Ca 0.00 1.23 0.03 0.00 -0.13 0.00 0.00 55.73 56.86 2p0g s ARG 47 Cb 0.00 -3.37 0.17 0.00 -1.56 0.00 0.00 34.95 30.19 2p0g s ARG 47 CO 0.00 0.25 0.48 0.12 -0.81 0.00 0.00 175.30 175.34 2p0g s PHE 48 N -0.01 -1.33 -0.00 5.12 5.36 -1.22 0.11 117.98 126.01 2p0g s PHE 48 Ca 0.42 0.69 -0.00 0.00 -0.96 0.00 0.00 56.93 57.08 2p0g s PHE 48 Cb -0.22 0.06 -0.00 0.00 -0.34 0.00 0.00 43.02 42.52 2p0g s PHE 48 CO 0.26 -1.00 0.01 -2.00 -1.46 0.00 0.00 175.22 171.03 2p0g s GLU 49 N 2.66 0.04 -0.04 10.12 2.12 0.14 -1.71 118.70 132.03 2p0g s GLU 49 Ca 0.11 -0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.45 2p0g s GLU 49 Cb -0.12 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.28 2p0g s GLU 49 CO -0.27 -0.01 -0.22 0.42 -0.54 0.00 0.00 175.26 174.64 2p0g s ILE 50 N -0.14 1.81 0.05 -3.70 1.01 -0.33 -0.36 121.20 119.54 2p0g s ILE 50 Ca -0.02 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.76 2p0g s ILE 50 Cb -0.01 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2p0g s ILE 50 CO -0.00 0.51 -0.21 -0.36 0.00 0.00 0.00 174.94 174.87 2p0g s PHE 51 N -0.25 1.88 -0.13 3.97 0.08 0.40 -0.96 117.98 122.98 2p0g s PHE 51 Ca 0.01 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 2p0g s PHE 51 Cb -0.11 -1.10 0.04 0.00 -0.57 0.00 0.00 43.02 41.27 2p0g s PHE 51 CO 0.02 0.12 -0.01 0.00 -0.10 0.00 0.00 175.22 175.24 2p0g n ASN 53 N 5.03 -3.57 0.00 0.00 3.02 0.70 -0.51 115.26 119.94 2p0g n ASN 53 Ca -0.09 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 2p0g n ASN 53 Cb 0.49 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 2p0g n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p0g n GLY 54 N -1.61 2.54 3.68 7.41 0.00 -1.26 -5.01 105.19 110.94 2p0g n GLY 54 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2p0g n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p0g s VAL 55 N -2.50 5.24 -0.11 1.61 1.01 0.34 -5.04 120.40 120.95 2p0g s VAL 55 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 2p0g s VAL 55 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2p0g s VAL 55 CO 0.00 0.28 1.55 -1.58 0.00 0.00 0.00 175.10 175.35 2p0g s GLN 56 N 1.16 4.14 0.00 2.72 0.74 -1.26 -0.29 119.66 126.88 2p0g s GLN 56 Ca 0.17 1.98 0.10 0.00 0.05 0.00 0.00 55.36 57.65 2p0g s GLN 56 Cb -0.14 -3.93 0.14 0.00 1.10 0.00 0.00 33.01 30.17 2p0g s GLN 56 CO 0.07 -0.87 0.94 0.44 -0.55 0.00 0.00 175.29 175.32 2p0g n ILE 57 N 5.58 0.31 -3.64 -2.34 -5.35 -0.13 -4.95 119.36 108.84 2p0g n ILE 57 Ca 0.17 -0.66 -0.05 0.00 -0.27 0.00 0.00 62.75 61.94 2p0g n ILE 57 Cb 0.44 0.99 -0.07 0.00 -1.74 0.00 0.00 39.64 39.25 2p0g n ILE 57 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2p0g s TRP 58 N -0.88 -0.53 -0.13 4.28 -0.11 -1.13 -4.95 118.94 115.50 2p0g s TRP 58 Ca 0.14 1.15 -0.04 0.00 1.22 0.00 0.00 56.10 58.58 2p0g s TRP 58 Cb 0.09 0.37 0.06 0.00 -1.50 0.00 0.00 33.47 32.48 2p0g s TRP 58 CO 0.13 -0.26 0.15 -2.00 -4.62 0.00 0.00 176.95 170.34 2p0g s GLU 59 N 0.83 0.06 0.16 5.86 -6.30 -1.26 -1.19 118.70 116.86 2p0g s GLU 59 Ca -0.03 0.31 -0.27 0.00 -2.50 0.00 0.00 54.97 52.47 2p0g s GLU 59 Cb -0.04 -0.88 -0.00 0.00 0.00 0.00 0.00 34.13 33.20 2p0g s GLU 59 CO -0.11 -0.48 1.56 -0.09 0.02 0.00 0.00 175.26 176.16 2p0g h ARG 60 N 8.37 -0.26 -0.01 4.30 2.43 -1.54 0.16 114.38 127.85 2p0g h ARG 60 Ca -0.14 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2p0g h ARG 60 Cb 1.13 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2p0g h ARG 60 CO 0.21 -0.17 -0.00 0.87 -1.51 0.00 0.00 179.97 179.37 2p0g h LYS 61 N -0.27 -0.00 -0.36 0.20 1.57 -1.87 1.22 116.57 117.06 2p0g h LYS 61 Ca 0.15 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.01 2p0g h LYS 61 Cb 0.57 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 2p0g h LYS 61 CO -0.67 -0.00 -0.11 0.37 -0.57 0.00 0.00 179.45 178.47 2p0g h GLN 62 N -0.00 -0.03 0.00 3.15 4.15 -1.81 -1.57 115.11 118.99 2p0g h GLN 62 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2p0g h GLN 62 Cb 0.01 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2p0g h GLN 62 CO -0.01 -0.02 -0.23 0.93 -1.93 0.00 0.00 178.83 177.57 2p0g h GLU 63 N -0.03 0.00 -3.87 1.69 4.39 -0.51 -3.48 114.58 112.76 2p0g h GLU 63 Ca 0.18 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.64 2p0g h GLU 63 Cb 0.31 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.04 2p0g h GLU 63 CO -0.39 0.00 -0.40 0.41 -1.16 0.00 0.00 179.01 177.46 2p0g n GLY 64 N 1.26 0.06 0.00 -3.84 0.00 0.41 -4.89 105.19 98.20 2p0g n GLY 64 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2p0g n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p0g n GLY 65 N -1.38 -0.02 3.52 -0.02 0.00 -0.58 -5.02 105.19 101.68 2p0g n GLY 65 Ca -0.00 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 2p0g n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p0g s PHE 66 N -3.19 2.67 0.48 1.61 0.40 -1.26 -4.39 117.98 114.30 2p0g s PHE 66 Ca 0.00 -0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 55.93 2p0g s PHE 66 Cb 0.00 -1.49 -0.07 0.00 0.51 0.00 0.00 43.02 41.97 2p0g s PHE 66 CO 0.00 0.32 1.11 -1.25 0.70 0.00 0.00 175.22 176.10 2p0g s PRO 67 N -1.61 3.69 0.45 0.24 0.04 -1.26 -5.05 135.00 131.50 2p0g s PRO 67 Ca 0.17 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 2p0g s PRO 67 Cb -0.11 -2.23 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 2p0g s PRO 67 CO 0.08 -0.57 0.85 -1.21 0.04 0.00 0.00 177.00 176.19 2p0g s GLU 68 N -2.97 3.84 0.24 4.56 2.02 -1.26 -4.92 118.70 120.20 2p0g s GLU 68 Ca 0.67 0.65 -0.04 0.00 0.02 0.00 0.00 54.97 56.26 2p0g s GLU 68 Cb -0.24 -2.30 0.42 0.00 0.10 0.00 0.00 34.13 32.12 2p0g s GLU 68 CO 0.28 -0.13 1.79 0.00 0.02 0.00 0.00 175.26 177.22 2p0g h ALA 69 N 1.11 1.14 -0.15 5.21 0.00 -2.00 -2.26 119.26 122.32 2p0g h ALA 69 Ca -0.47 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2p0g h ALA 69 Cb 1.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2p0g h ALA 69 CO 0.63 -0.00 0.05 -0.22 0.00 0.00 0.00 179.25 179.71 2p0g h LYS 70 N 0.68 0.23 -0.63 0.00 3.64 -2.00 -2.11 116.57 116.38 2p0g h LYS 70 Ca 0.40 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2p0g h LYS 70 Cb 0.45 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2p0g h LYS 70 CO -0.29 0.34 0.41 0.28 -2.27 0.00 0.00 179.45 177.92 2p0g h VAL 71 N 0.07 1.17 -0.58 2.00 2.07 -1.89 -1.45 116.25 117.64 2p0g h VAL 71 Ca 0.05 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2p0g h VAL 71 Cb 0.20 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2p0g h VAL 71 CO -0.00 0.16 0.11 0.25 0.02 0.00 0.00 177.57 178.11 2p0g h LEU 72 N 0.85 0.90 -0.57 2.57 5.85 -1.38 -1.44 115.31 122.09 2p0g h LEU 72 Ca 0.23 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2p0g h LEU 72 Cb -0.08 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 2p0g h LEU 72 CO -0.05 0.92 0.37 0.11 -0.34 0.00 0.00 178.44 179.46 2p0g h LYS 73 N 0.84 0.75 -0.56 1.25 1.57 -1.11 -1.82 116.57 117.49 2p0g h LYS 73 Ca 0.18 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2p0g h LYS 73 Cb 0.39 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2p0g h LYS 73 CO 0.01 0.51 0.17 0.37 -0.57 0.00 0.00 179.45 179.94 2p0g h GLN 74 N 0.77 0.88 0.00 3.15 4.15 -1.00 0.10 115.11 123.16 2p0g h GLN 74 Ca 0.21 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 2p0g h GLN 74 Cb -0.08 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 2p0g h GLN 74 CO -0.04 0.80 -0.30 0.00 -1.93 0.00 0.00 178.83 177.35 2p0g h ARG 75 N 0.79 0.00 0.02 1.69 3.08 -1.02 -1.41 114.38 117.53 2p0g h ARG 75 Ca 0.18 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.00 2p0g h ARG 75 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.36 2p0g h ARG 75 CO -0.00 0.30 -0.90 0.28 -1.07 0.00 0.00 179.97 178.58 2p0g h VAL 76 N 0.00 1.34 -0.92 2.04 2.07 -0.99 -3.26 116.25 116.53 2p0g h VAL 76 Ca -0.00 -2.22 0.01 0.00 0.82 0.00 0.00 66.70 65.30 2p0g h VAL 76 Cb 0.54 2.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 2p0g h VAL 76 CO 0.04 0.67 0.59 -0.09 0.02 0.00 0.00 177.57 178.80 2p0g h ARG 77 N 0.17 1.22 0.00 1.57 2.43 -0.40 -1.74 114.38 117.62 2p0g h ARG 77 Ca -0.12 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2p0g h ARG 77 Cb 1.58 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2p0g h ARG 77 CO 0.18 0.82 0.00 -0.44 -1.51 0.00 0.00 179.97 179.02 2p0g h ASP 78 N 1.25 0.00 0.12 -3.80 3.32 -1.32 0.47 116.42 116.46 2p0g h ASP 78 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2p0g h ASP 78 Cb -0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2p0g h ASP 78 CO -0.07 0.00 -1.09 0.18 -1.72 0.00 0.00 179.24 176.54 2p0g n LEU 79 N -2.65 0.75 -0.10 1.55 4.77 -0.70 -4.36 117.00 116.25 2p0g n LEU 79 Ca 0.01 -0.30 -0.18 0.00 -0.03 0.00 0.00 56.01 55.50 2p0g n LEU 79 Cb 0.22 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 2p0g n LEU 79 CO 0.21 0.17 -0.73 -0.38 -1.33 0.00 0.00 177.39 175.33 2p0g n ILE 80 N -1.67 1.50 1.38 -0.08 5.41 -0.91 -5.07 119.36 119.91 2p0g n ILE 80 Ca 0.03 -0.03 0.14 0.00 1.00 0.00 0.00 62.75 63.88 2p0g n ILE 80 Cb 0.38 -2.14 0.42 0.00 -0.71 0.00 0.00 39.64 37.59 2p0g n ILE 80 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02