#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 3.81 0.38 1.20 -0.14 -1.26 -4.88 119.74 118.86 2p0g s LYS 3 Ca 0.00 -0.40 -0.27 0.00 -1.36 0.00 0.00 55.97 53.94 2p0g s LYS 3 Cb 0.00 -3.41 -0.09 0.00 -1.68 0.00 0.00 37.83 32.65 2p0g s LYS 3 CO 0.00 -0.09 1.25 0.00 -0.76 0.00 0.00 175.35 175.75 2p0g s ALA 4 N 1.41 3.28 -0.25 5.17 0.00 0.48 -4.40 121.76 127.45 2p0g s ALA 4 Ca 0.06 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 2p0g s ALA 4 Cb -0.15 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.56 2p0g s ALA 4 CO 0.05 -0.66 -0.08 -0.65 0.00 0.00 0.00 175.76 174.43 2p0g s GLN 5 N -2.11 2.68 -0.12 0.00 -0.21 -1.26 0.03 119.66 118.66 2p0g s GLN 5 Ca 0.54 -1.07 -0.00 0.00 0.02 0.00 0.00 55.36 54.85 2p0g s GLN 5 Cb -0.36 -2.95 -0.02 0.00 1.00 0.00 0.00 33.01 30.68 2p0g s GLN 5 CO 0.46 -0.44 -0.11 0.42 -2.12 0.00 0.00 175.29 173.49 2p0g s ILE 6 N 1.27 3.24 -0.08 1.08 1.01 -0.64 -0.29 121.20 126.78 2p0g s ILE 6 Ca -0.02 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.07 2p0g s ILE 6 Cb -0.17 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2p0g s ILE 6 CO -0.05 0.53 -0.24 -1.61 0.00 0.00 0.00 174.94 173.57 2p0g s GLU 7 N 0.15 2.81 -0.21 2.79 0.41 -0.11 0.01 118.70 124.56 2p0g s GLU 7 Ca -0.06 -0.89 0.01 0.00 -0.41 0.00 0.00 54.97 53.63 2p0g s GLU 7 Cb -0.15 -2.24 0.04 0.00 -1.78 0.00 0.00 34.13 30.00 2p0g s GLU 7 CO 0.04 0.28 -0.11 0.42 -0.49 0.00 0.00 175.26 175.41 2p0g s ILE 8 N 0.09 1.75 -0.24 -1.63 1.01 0.80 -0.54 121.20 122.44 2p0g s ILE 8 Ca -0.11 -1.12 -0.09 0.00 0.00 0.00 0.00 60.65 59.33 2p0g s ILE 8 Cb -0.16 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2p0g s ILE 8 CO 0.06 0.15 0.11 -0.31 0.00 0.00 0.00 174.94 174.95 2p0g s TYR 9 N 1.34 3.20 0.01 3.97 1.51 0.45 0.28 117.35 128.11 2p0g s TYR 9 Ca -0.02 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.03 2p0g s TYR 9 Cb -0.17 -2.23 -0.01 0.00 -0.11 0.00 0.00 41.96 39.44 2p0g s TYR 9 CO -0.08 -0.09 -0.10 1.52 -1.11 0.00 0.00 175.55 175.69 2p0g s TYR 10 N 1.19 0.88 -0.09 2.71 1.13 -0.92 -0.73 117.35 121.52 2p0g s TYR 10 Ca 0.06 -0.24 -0.31 0.00 -1.41 0.00 0.00 57.07 55.17 2p0g s TYR 10 Cb -0.14 -0.55 -0.09 0.00 -1.10 0.00 0.00 41.96 40.09 2p0g s TYR 10 CO 0.04 -0.01 2.05 0.00 -2.51 0.00 0.00 175.55 175.12 2p0g h ARG 12 N 11.79 0.48 -0.17 0.00 2.43 0.05 -2.84 114.38 126.12 2p0g h ARG 12 Ca -0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2p0g h ARG 12 Cb 1.25 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2p0g h ARG 12 CO 0.95 0.32 0.00 0.00 -1.51 0.00 0.00 179.97 179.73 2p0g n GLN 13 N -4.53 1.74 -0.11 0.20 10.64 -1.26 -4.39 117.38 119.67 2p0g n GLN 13 Ca 0.18 -1.73 0.09 0.00 -1.83 0.00 0.00 57.00 53.71 2p0g n GLN 13 Cb 0.61 -1.34 0.31 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 0.33 -2.77 -3.66 0.00 4.05 -1.26 -5.07 115.26 106.88 2p0g n ASN 15 Ca 0.15 -0.65 -0.32 0.00 0.45 0.00 0.00 54.58 54.21 2p0g n ASN 15 Cb 0.30 -5.09 -0.06 0.00 1.23 0.00 0.00 39.78 36.17 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 -3.99 3.33 0.00 1.20 8.01 -1.26 -4.82 117.44 119.91 2p0g n TRP 16 Ca -0.25 -3.76 0.00 0.00 -1.31 0.00 0.00 57.50 52.18 2p0g n TRP 16 Cb 0.66 -0.80 0.00 0.00 -2.01 0.00 0.00 31.31 29.17 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 1.16 0.00 0.24 -0.99 4.32 -1.26 -1.94 117.00 118.53 2p0g n LEU 18 Ca 0.28 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.37 2p0g n LEU 18 Cb 0.38 0.00 0.62 0.00 -1.62 0.00 0.00 43.42 42.81 2p0g n LEU 18 CO 0.48 0.00 0.92 0.08 -1.22 0.00 0.00 177.39 177.65 2p0g h ARG 19 N 0.00 0.00 -0.07 3.23 0.11 -2.00 -1.64 114.38 114.01 2p0g h ARG 19 Ca 0.00 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 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 0.17 -0.59 0.77 0.10 0.00 0.00 179.97 180.42 2p0g h SER 20 N 0.00 0.64 -0.33 0.08 0.02 -1.81 -2.02 113.55 110.14 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 0.41 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2p0g h SER 20 CO 0.02 1.22 0.04 0.00 -1.14 0.00 0.00 176.83 176.97 2p0g h ALA 21 N 0.43 1.29 0.48 3.77 0.00 -1.75 -0.60 119.26 122.88 2p0g h ALA 21 Ca -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2p0g h ALA 21 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2p0g h ALA 21 CO 0.12 0.49 -0.23 2.35 0.00 0.00 0.00 179.25 181.97 2p0g h TRP 22 N 0.62 -0.60 -0.78 0.00 7.01 -1.28 -1.86 115.95 119.05 2p0g h TRP 22 Ca 0.13 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.22 2p0g h TRP 22 Cb 0.34 0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.54 2p0g h TRP 22 CO 0.01 -0.29 0.51 -0.07 -2.79 0.00 0.00 178.44 175.82 2p0g h LEU 23 N -0.86 0.60 -0.39 0.65 3.38 -1.21 -0.28 115.31 117.20 2p0g h LEU 23 Ca -0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2p0g h LEU 23 Cb 0.58 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2p0g h LEU 23 CO 0.11 0.35 0.20 -1.28 0.09 0.00 0.00 178.44 177.91 2p0g h SER 24 N 0.66 0.50 0.24 -0.43 0.87 -0.94 -2.26 113.55 112.19 2p0g h SER 24 Ca 0.37 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 2p0g h SER 24 Cb 0.52 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2p0g h SER 24 CO -0.14 0.46 -0.39 1.56 -0.53 0.00 0.00 176.83 177.80 2p0g h GLN 25 N 0.50 0.20 -0.50 2.24 4.20 -0.34 -1.00 115.11 120.41 2p0g h GLN 25 Ca 0.14 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2p0g h GLN 25 Cb 0.09 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2p0g h GLN 25 CO -0.02 0.57 0.25 0.93 -0.67 0.00 0.00 178.83 179.88 2p0g h GLU 26 N 0.17 0.71 -0.18 1.46 4.39 -0.76 -0.18 114.58 120.20 2p0g h GLU 26 Ca 0.02 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2p0g h GLU 26 Cb 0.77 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2p0g h GLU 26 CO 0.06 0.58 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.22 2p0g h LEU 27 N 0.66 0.49 -1.54 1.33 3.38 -1.18 -1.70 115.31 116.74 2p0g h LEU 27 Ca 0.17 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2p0g h LEU 27 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2p0g h LEU 27 CO -0.02 0.88 0.05 -0.07 0.09 0.00 0.00 178.44 179.37 2p0g h LEU 28 N 0.10 0.32 -0.04 1.67 3.38 -1.09 0.72 115.31 120.37 2p0g h LEU 28 Ca 0.02 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2p0g h LEU 28 Cb 0.76 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.43 2p0g h LEU 28 CO 0.05 0.34 -0.50 -0.74 0.09 0.00 0.00 178.44 177.68 2p0g h HIS 29 N 0.35 0.57 -0.03 1.13 2.76 -0.96 -2.40 115.15 116.58 2p0g h HIS 29 Ca 0.08 -0.29 -0.24 0.00 -2.20 0.00 0.00 60.37 57.72 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 1.08 -0.96 1.15 -1.30 0.00 0.00 177.93 177.90 2p0g h THR 30 N -0.10 1.32 -1.00 6.26 2.02 -1.10 -3.34 112.91 116.97 2p0g h THR 30 Ca -0.05 -2.25 -0.58 0.00 0.77 0.00 0.00 66.41 64.30 2p0g h THR 30 Cb 1.19 2.31 -0.41 0.00 -1.74 0.00 0.00 68.15 69.50 2p0g h THR 30 CO 0.10 0.69 -0.56 0.49 0.37 0.00 0.00 175.52 176.61 2p0g n PHE 31 N -3.84 2.97 0.24 3.16 3.72 0.23 -4.83 117.46 119.10 2p0g n PHE 31 Ca -0.09 -2.52 0.17 0.00 -0.05 0.00 0.00 57.45 54.97 2p0g n PHE 31 Cb 0.84 -0.42 0.80 0.00 -0.94 0.00 0.00 39.48 39.76 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 2.29 0.00 0.00 4.37 4.64 -1.55 -1.86 113.55 121.43 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 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2p0g h SER 32 CO 0.89 0.00 -1.00 -0.62 -0.87 0.00 0.00 176.83 175.23 2p0g n GLU 33 N -3.26 1.72 -0.01 4.77 1.02 -1.26 -4.50 120.64 119.12 2p0g n GLU 33 Ca 0.02 -0.04 0.08 0.00 -0.02 0.00 0.00 57.16 57.20 2p0g n GLU 33 Cb 0.46 -1.22 0.08 0.00 -0.02 0.00 0.00 31.44 30.73 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 -1.56 1.38 -4.23 3.49 4.71 -0.76 -4.96 120.64 118.71 2p0g n GLU 34 Ca 0.01 -1.53 -0.34 0.00 -0.01 0.00 0.00 57.16 55.29 2p0g n GLU 34 Cb 0.27 -1.32 -0.11 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 -1.37 4.32 -0.05 -3.67 1.01 -0.86 -0.39 121.20 120.19 2p0g s ILE 35 Ca 0.20 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 2p0g s ILE 35 Cb 0.14 -2.91 -0.29 0.00 0.01 0.00 0.00 42.46 39.41 2p0g s ILE 35 CO 0.21 0.50 0.92 -0.08 0.00 0.00 0.00 174.94 176.48 2p0g h GLU 36 N 6.49 0.26 -1.61 2.79 4.81 -0.61 -3.45 114.58 123.27 2p0g h GLU 36 Ca -0.36 -0.41 0.20 0.00 -0.13 0.00 0.00 59.36 58.66 2p0g h GLU 36 Cb 1.18 0.15 -0.20 0.00 0.63 0.00 0.00 28.75 30.51 2p0g h GLU 36 CO 0.65 1.17 0.72 1.52 -0.73 0.00 0.00 179.01 182.34 2p0g s TYR 37 N -2.56 -0.20 -0.13 0.92 -0.85 -1.17 -5.05 117.35 108.31 2p0g s TYR 37 Ca -0.14 0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.62 2p0g s TYR 37 Cb 0.01 0.51 0.01 0.00 0.38 0.00 0.00 41.96 42.87 2p0g s TYR 37 CO 0.80 -0.27 -0.20 0.08 -1.52 0.00 0.00 175.55 174.45 2p0g s VAL 38 N -2.21 1.86 -0.08 -3.49 1.01 -1.26 -1.63 120.40 114.60 2p0g s VAL 38 Ca 0.07 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2p0g s VAL 38 Cb -0.01 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2p0g s VAL 38 CO -0.05 0.51 -0.19 0.00 0.00 0.00 0.00 175.10 175.38 2p0g s ALA 39 N 0.89 2.43 -0.24 5.51 0.00 0.10 -4.99 121.76 125.46 2p0g s ALA 39 Ca -0.07 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 2p0g s ALA 39 Cb -0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2p0g s ALA 39 CO -0.02 0.40 0.12 -0.51 0.00 0.00 0.00 175.76 175.75 2p0g s LEU 40 N -0.15 3.80 -0.37 0.00 1.43 -1.26 -0.14 118.68 121.99 2p0g s LEU 40 Ca -0.02 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 2p0g s LEU 40 Cb -0.14 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.14 2p0g s LEU 40 CO 0.04 0.02 0.14 -1.00 0.23 0.00 0.00 176.35 175.78 2p0g s HIS 41 N 1.33 3.39 0.16 0.29 3.76 0.14 -4.95 115.29 119.41 2p0g s HIS 41 Ca 0.06 -1.91 -0.32 0.00 -0.15 0.00 0.00 55.06 52.74 2p0g s HIS 41 Cb -0.15 -2.70 -0.10 0.00 1.11 0.00 0.00 32.58 30.74 2p0g s HIS 41 CO 0.05 -0.86 1.57 -1.25 -0.85 0.00 0.00 174.74 173.41 2p0g s PRO 42 N 1.27 4.21 0.00 8.40 0.04 -1.26 -2.16 135.00 145.51 2p0g s PRO 42 Ca 0.02 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2p0g s PRO 42 Cb -0.21 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2p0g s PRO 42 CO -0.01 -0.61 0.00 -3.47 0.04 0.00 0.00 177.00 172.95 2p0g n ASP 43 N 4.02 1.38 -4.96 6.66 -0.08 0.26 -4.83 116.55 118.99 2p0g n ASP 43 Ca 0.14 -0.73 -0.21 0.00 -1.51 0.00 0.00 54.79 52.47 2p0g n ASP 43 Cb 0.38 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.88 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 -0.86 2.63 -0.01 5.18 -4.23 -1.26 0.72 115.64 117.80 2p0g s THR 44 Ca 0.00 -0.65 -0.13 0.00 -1.18 0.00 0.00 61.69 59.73 2p0g s THR 44 Cb 0.00 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 2p0g s THR 44 CO 0.00 0.00 0.35 0.61 -0.54 0.00 0.00 174.62 175.04 2p0g n GLY 45 N -2.37 -0.07 3.81 3.99 0.00 -1.26 -2.27 105.19 107.01 2p0g n GLY 45 Ca 0.08 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.54 0.00 3.74 -0.02 0.00 -1.26 -4.95 105.19 103.24 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 -0.92 4.52 -0.29 1.61 3.52 -0.96 -4.89 118.95 121.54 2p0g s ARG 47 Ca 0.00 1.11 0.02 0.00 -0.13 0.00 0.00 55.73 56.73 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 0.26 0.48 0.12 -0.81 0.00 0.00 175.30 175.35 2p0g s PHE 48 N -0.00 -1.30 -0.02 5.12 5.36 -1.22 0.12 117.98 126.03 2p0g s PHE 48 Ca 0.40 0.73 -0.02 0.00 -0.96 0.00 0.00 56.93 57.08 2p0g s PHE 48 Cb -0.21 0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.55 2p0g s PHE 48 CO 0.24 -0.98 0.05 -2.00 -1.46 0.00 0.00 175.22 171.07 2p0g s GLU 49 N 2.66 0.06 -0.03 10.12 2.12 0.10 -1.72 118.70 132.00 2p0g s GLU 49 Ca 0.11 0.07 0.07 0.00 0.36 0.00 0.00 54.97 55.58 2p0g s GLU 49 Cb -0.12 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.28 2p0g s GLU 49 CO -0.27 -0.01 -0.24 0.42 -0.54 0.00 0.00 175.26 174.62 2p0g s ILE 50 N 0.04 1.94 0.05 -3.70 1.01 -0.34 -0.41 121.20 119.80 2p0g s ILE 50 Ca -0.00 -1.03 0.07 0.00 0.00 0.00 0.00 60.65 59.69 2p0g s ILE 50 Cb -0.01 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2p0g s ILE 50 CO 0.00 0.55 -0.20 -0.36 0.00 0.00 0.00 174.94 174.92 2p0g s PHE 51 N -0.38 1.79 -0.12 3.97 0.08 0.29 -1.05 117.98 122.55 2p0g s PHE 51 Ca 0.04 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 2p0g s PHE 51 Cb -0.11 -1.05 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 2p0g s PHE 51 CO 0.01 0.10 -0.02 0.00 -0.10 0.00 0.00 175.22 175.21 2p0g n ASN 53 N 5.02 -3.77 0.00 0.00 3.02 0.60 -0.42 115.26 119.71 2p0g n ASN 53 Ca -0.10 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2p0g n ASN 53 Cb 0.49 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 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 -1.57 2.50 3.67 7.41 0.00 -1.26 -5.01 105.19 110.93 2p0g n GLY 54 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.43 5.23 -0.10 1.61 1.01 0.44 -5.04 120.40 121.12 2p0g s VAL 55 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 2p0g s VAL 55 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2p0g s VAL 55 CO 0.00 0.27 1.55 -1.58 0.00 0.00 0.00 175.10 175.34 2p0g s GLN 56 N 1.23 4.15 0.00 2.72 0.74 -1.26 -0.24 119.66 126.99 2p0g s GLN 56 Ca 0.17 1.99 0.09 0.00 0.05 0.00 0.00 55.36 57.67 2p0g s GLN 56 Cb -0.14 -3.93 0.15 0.00 1.10 0.00 0.00 33.01 30.18 2p0g s GLN 56 CO 0.07 -0.86 0.97 0.44 -0.55 0.00 0.00 175.29 175.36 2p0g n ILE 57 N 5.56 0.41 -3.64 -2.34 -5.35 -0.22 -4.95 119.36 108.83 2p0g n ILE 57 Ca 0.17 -0.71 -0.05 0.00 -0.27 0.00 0.00 62.75 61.89 2p0g n ILE 57 Cb 0.44 0.91 -0.07 0.00 -1.74 0.00 0.00 39.64 39.18 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 -0.44 -0.13 4.28 -0.11 -1.15 -4.95 118.94 115.56 2p0g s TRP 58 Ca 0.15 0.98 -0.04 0.00 1.22 0.00 0.00 56.10 58.41 2p0g s TRP 58 Cb 0.09 0.35 0.06 0.00 -1.50 0.00 0.00 33.47 32.48 2p0g s TRP 58 CO 0.12 -0.22 0.20 -2.00 -4.62 0.00 0.00 176.95 170.44 2p0g s GLU 59 N 0.70 0.10 0.16 5.86 2.56 -1.26 -1.19 118.70 125.64 2p0g s GLU 59 Ca -0.02 0.49 -0.26 0.00 0.00 0.00 0.00 54.97 55.18 2p0g s GLU 59 Cb -0.04 -0.53 0.02 0.00 2.00 0.00 0.00 34.13 35.58 2p0g s GLU 59 CO -0.11 -0.41 1.57 -0.09 -0.56 0.00 0.00 175.26 175.66 2p0g h ARG 60 N 8.33 -0.26 0.01 4.30 2.43 -1.54 0.16 114.38 127.83 2p0g h ARG 60 Ca -0.14 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 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 0.18 -0.17 -0.01 0.87 -1.51 0.00 0.00 179.97 179.34 2p0g h LYS 61 N -0.27 -0.01 -0.36 0.20 1.57 -1.87 1.14 116.57 116.98 2p0g h LYS 61 Ca 0.16 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 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 -0.64 0.02 -0.13 0.37 -0.57 0.00 0.00 179.45 178.50 2p0g h GLN 62 N -0.05 -0.05 0.00 3.15 4.15 -1.84 -1.56 115.11 118.90 2p0g h GLN 62 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2p0g h GLN 62 Cb 0.05 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2p0g h GLN 62 CO 0.00 -0.03 -0.26 0.93 -1.93 0.00 0.00 178.83 177.54 2p0g h GLU 63 N -0.05 0.00 -3.70 1.69 4.39 -0.53 -3.48 114.58 112.90 2p0g h GLU 63 Ca 0.18 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.65 2p0g h GLU 63 Cb 0.32 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.05 2p0g h GLU 63 CO -0.40 0.00 -0.38 0.41 -1.16 0.00 0.00 179.01 177.48 2p0g n GLY 64 N 1.28 0.10 0.00 -3.84 0.00 0.38 -4.89 105.19 98.22 2p0g n GLY 64 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.35 -0.03 3.51 -0.02 0.00 -0.57 -5.02 105.19 101.71 2p0g n GLY 65 Ca 0.00 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 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 2.65 0.50 1.61 0.40 -1.26 -4.38 117.98 114.31 2p0g s PHE 66 Ca 0.00 -0.20 -0.21 0.00 -0.60 0.00 0.00 56.93 55.93 2p0g s PHE 66 Cb 0.00 -1.48 -0.07 0.00 0.51 0.00 0.00 43.02 41.98 2p0g s PHE 66 CO 0.00 0.31 1.13 -1.25 0.70 0.00 0.00 175.22 176.11 2p0g s PRO 67 N -1.58 3.57 0.44 0.24 0.04 -1.26 -5.05 135.00 131.40 2p0g s PRO 67 Ca 0.16 1.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 2p0g s PRO 67 Cb -0.11 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 2p0g s PRO 67 CO 0.07 -0.68 0.80 -1.21 0.04 0.00 0.00 177.00 176.02 2p0g s GLU 68 N -3.06 3.71 0.23 4.56 2.02 -1.26 -4.93 118.70 119.96 2p0g s GLU 68 Ca 0.69 0.43 -0.07 0.00 0.02 0.00 0.00 54.97 56.03 2p0g s GLU 68 Cb -0.24 -2.36 0.31 0.00 0.10 0.00 0.00 34.13 31.94 2p0g s GLU 68 CO 0.28 -0.12 1.82 0.00 0.02 0.00 0.00 175.26 177.26 2p0g h ALA 69 N 0.86 1.04 -0.26 5.21 0.00 -2.00 -2.21 119.26 121.91 2p0g h ALA 69 Ca -0.47 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2p0g h ALA 69 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2p0g h ALA 69 CO 0.63 0.11 0.09 -0.22 0.00 0.00 0.00 179.25 179.86 2p0g h LYS 70 N 0.78 0.39 -0.62 0.00 3.64 -1.99 -2.16 116.57 116.60 2p0g h LYS 70 Ca 0.35 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2p0g h LYS 70 Cb 0.24 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2p0g h LYS 70 CO -0.20 0.45 0.36 0.28 -2.27 0.00 0.00 179.45 178.07 2p0g h VAL 71 N 0.26 1.19 -0.53 2.00 2.07 -1.88 -1.53 116.25 117.82 2p0g h VAL 71 Ca 0.08 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2p0g h VAL 71 Cb 0.22 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2p0g h VAL 71 CO -0.00 0.20 0.04 0.25 0.02 0.00 0.00 177.57 178.07 2p0g h LEU 72 N 0.84 0.89 -0.63 2.57 5.85 -1.36 -1.44 115.31 122.03 2p0g h LEU 72 Ca 0.22 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2p0g h LEU 72 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2p0g h LEU 72 CO -0.04 0.96 0.41 0.11 -0.34 0.00 0.00 178.44 179.54 2p0g h LYS 73 N 0.79 0.80 -0.54 1.25 1.57 -1.18 -1.70 116.57 117.56 2p0g h LYS 73 Ca 0.15 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2p0g h LYS 73 Cb 0.48 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2p0g h LYS 73 CO 0.02 0.53 0.12 0.37 -0.57 0.00 0.00 179.45 179.92 2p0g h GLN 74 N 0.83 0.87 -0.07 3.15 4.15 -1.01 0.50 115.11 123.52 2p0g h GLN 74 Ca 0.24 -0.21 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2p0g h GLN 74 Cb -0.06 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 2p0g h GLN 74 CO -0.07 0.82 -0.27 0.00 -1.93 0.00 0.00 178.83 177.39 2p0g h ARG 75 N 0.76 0.13 -0.06 1.69 3.08 -0.99 -1.58 114.38 117.42 2p0g h ARG 75 Ca 0.17 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.98 2p0g h ARG 75 Cb 0.35 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.40 2p0g h ARG 75 CO 0.00 0.39 -0.75 0.28 -1.07 0.00 0.00 179.97 178.82 2p0g h VAL 76 N 0.12 1.33 -0.85 2.04 2.07 -1.05 -3.25 116.25 116.65 2p0g h VAL 76 Ca 0.02 -2.04 0.03 0.00 0.82 0.00 0.00 66.70 65.53 2p0g h VAL 76 Cb 0.54 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 2p0g h VAL 76 CO 0.04 0.62 0.55 -0.09 0.02 0.00 0.00 177.57 178.71 2p0g h ARG 77 N 0.24 1.03 0.00 1.57 2.43 -0.52 -1.34 114.38 117.79 2p0g h ARG 77 Ca -0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2p0g h ARG 77 Cb 1.41 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2p0g h ARG 77 CO 0.15 0.68 0.00 -0.44 -1.51 0.00 0.00 179.97 178.85 2p0g h ASP 78 N 1.06 0.00 0.00 -3.80 3.32 -1.34 -2.10 116.42 113.56 2p0g h ASP 78 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2p0g h ASP 78 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2p0g h ASP 78 CO -0.12 0.00 -1.21 0.18 -1.72 0.00 0.00 179.24 176.38 2p0g n LEU 79 N -2.49 0.79 -1.02 1.55 4.77 -0.57 -4.13 117.00 115.90 2p0g n LEU 79 Ca 0.00 -0.40 0.11 0.00 -0.03 0.00 0.00 56.01 55.70 2p0g n LEU 79 Cb 0.18 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.53 2p0g n LEU 79 CO 0.19 0.20 0.72 -0.38 -1.33 0.00 0.00 177.39 176.79 2p0g n ILE 80 N -1.66 0.53 0.00 -0.08 5.41 -0.80 -5.07 119.36 117.69 2p0g n ILE 80 Ca 0.02 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 63.09 2p0g n ILE 80 Cb 0.38 0.69 0.00 0.00 -0.71 0.00 0.00 39.64 40.00 2p0g n ILE 80 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65