#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pch s LYS 3 N 0.00 1.36 0.01 0.00 -2.85 -1.26 0.59 119.74 117.59 1pch s LYS 3 Ca 0.00 -0.72 -0.25 0.00 -1.00 0.00 0.00 55.97 54.00 1pch s LYS 3 Cb 0.00 0.55 0.06 0.00 -2.06 0.00 0.00 37.83 36.38 1pch s LYS 3 CO 0.00 -0.59 0.57 -0.59 0.10 0.00 0.00 175.35 174.84 1pch s PHE 4 N -3.83 -0.50 0.13 1.78 -0.12 -0.37 -4.99 117.98 110.09 1pch s PHE 4 Ca 0.06 0.69 0.09 0.00 -0.05 0.00 0.00 56.93 57.71 1pch s PHE 4 Cb -0.01 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1pch s PHE 4 CO -0.06 -0.62 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.16 1pch s SER 5 N -1.67 2.69 0.18 1.98 0.01 -1.26 -0.26 113.70 115.37 1pch s SER 5 Ca -0.08 -0.77 -0.19 0.00 1.31 0.00 0.00 55.95 56.22 1pch s SER 5 Cb -0.01 -0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.10 1pch s SER 5 CO 0.02 0.03 0.55 0.00 0.41 0.00 0.00 173.24 174.26 1pch s ALA 6 N -1.55 -1.16 -0.16 1.44 0.00 -0.02 -4.98 121.76 115.33 1pch s ALA 6 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1pch s ALA 6 Cb -0.08 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1pch s ALA 6 CO 0.06 -0.80 0.08 0.42 0.00 0.00 0.00 175.76 175.52 1pch s ILE 7 N -3.83 4.98 -0.19 0.00 -1.09 -1.26 -1.01 121.20 118.80 1pch s ILE 7 Ca 0.06 0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.21 1pch s ILE 7 Cb -0.01 -3.21 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 1pch s ILE 7 CO -0.06 0.52 1.45 -0.63 -1.23 0.00 0.00 174.94 174.99 1pch s ILE 8 N -0.16 3.95 -1.50 2.92 -1.09 -0.36 -4.53 121.20 120.43 1pch s ILE 8 Ca 0.08 1.11 0.16 0.00 -2.23 0.00 0.00 60.65 59.78 1pch s ILE 8 Cb -0.12 -3.84 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1pch s ILE 8 CO 0.01 -0.24 0.86 0.35 -1.23 0.00 0.00 174.94 174.70 1pch n THR 9 N 5.86 0.00 -1.87 2.92 -2.24 0.75 -1.23 114.28 118.47 1pch n THR 9 Ca 0.16 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1pch n THR 9 Cb 0.45 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 1pch n THR 9 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pch s ASP 10 N -1.90 6.50 0.11 3.42 -1.08 -1.13 -4.87 116.67 117.72 1pch s ASP 10 Ca 0.14 2.77 0.17 0.00 -0.52 0.00 0.00 52.55 55.11 1pch s ASP 10 Cb 0.13 -2.61 0.73 0.00 -1.46 0.00 0.00 42.92 39.71 1pch s ASP 10 CO 0.41 -0.85 1.53 0.29 0.52 0.00 0.00 175.17 177.07 1pch n LYS 11 N 3.09 0.08 0.00 4.34 5.02 -1.26 -2.10 118.16 127.32 1pch n LYS 11 Ca 0.11 0.35 0.06 0.00 -2.02 0.00 0.00 58.31 56.80 1pch n LYS 11 Cb 0.38 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1pch n LYS 11 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pch n VAL 12 N -1.80 0.00 -2.42 -0.18 0.31 -1.26 -4.80 118.33 108.18 1pch n VAL 12 Ca 0.03 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1pch n VAL 12 Cb 0.18 1.15 0.00 0.00 -0.91 0.00 0.00 33.84 34.25 1pch n VAL 12 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pch n GLY 13 N 0.97 -1.25 3.40 2.92 0.00 -0.89 -4.49 105.19 105.85 1pch n GLY 13 Ca 0.05 -1.53 -0.45 0.00 0.00 0.00 0.00 46.02 44.09 1pch n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pch s LEU 14 N 0.00 5.70 0.00 0.99 0.20 -0.47 -4.77 118.68 120.33 1pch s LEU 14 Ca 0.00 -2.92 0.08 0.00 0.69 0.00 0.00 54.13 51.98 1pch s LEU 14 Cb 0.00 -2.32 0.08 0.00 -0.43 0.00 0.00 46.19 43.53 1pch s LEU 14 CO 0.00 -0.65 0.68 0.00 -0.29 0.00 0.00 176.35 176.08 1pch n HIS 15 N 4.72 -2.25 -0.18 5.38 1.44 -1.26 -4.49 115.22 118.58 1pch n HIS 15 Ca 0.27 -1.87 -0.02 0.00 -2.01 0.00 0.00 57.72 54.09 1pch n HIS 15 Cb 0.44 -0.48 0.05 0.00 0.12 0.00 0.00 29.99 30.12 1pch n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pch h ALA 16 N 0.20 0.37 0.56 1.59 0.00 -1.97 0.23 119.26 120.25 1pch h ALA 16 Ca -0.24 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pch h ALA 16 Cb 1.10 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1pch h ALA 16 CO 0.35 -0.43 -0.39 -0.09 0.00 0.00 0.00 179.25 178.68 1pch h ARG 17 N 0.00 -0.89 -0.69 0.00 2.43 -1.99 0.93 114.38 114.17 1pch h ARG 17 Ca 0.27 0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1pch h ARG 17 Cb 0.41 0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1pch h ARG 17 CO -0.57 -0.59 0.20 -1.00 -1.51 0.00 0.00 179.97 176.49 1pch h PRO 18 N -0.92 1.08 -0.76 0.20 0.13 -1.92 -1.90 132.00 127.92 1pch h PRO 18 Ca -0.07 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1pch h PRO 18 Cb 0.77 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 1pch h PRO 18 CO 0.04 0.94 0.48 0.00 -0.23 0.00 0.00 178.00 179.22 1pch h ALA 19 N 1.17 0.97 -0.36 -0.56 0.00 -0.81 0.10 119.26 119.76 1pch h ALA 19 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pch h ALA 19 Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1pch h ALA 19 CO -0.00 0.42 0.10 0.66 0.00 0.00 0.00 179.25 180.43 1pch h SER 20 N 1.04 0.54 -0.61 0.00 4.64 -0.53 0.83 113.55 119.46 1pch h SER 20 Ca 0.28 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1pch h SER 20 Cb -0.07 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1pch h SER 20 CO -0.06 0.61 0.27 0.58 -0.87 0.00 0.00 176.83 177.37 1pch h VAL 21 N 0.44 1.22 -0.31 0.95 2.07 -1.11 -1.90 116.25 117.61 1pch h VAL 21 Ca 0.12 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1pch h VAL 21 Cb 0.27 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1pch h VAL 21 CO -0.00 0.26 -0.03 -0.07 0.02 0.00 0.00 177.57 177.75 1pch h LEU 22 N 0.84 0.56 -0.98 2.57 3.38 -0.62 -1.42 115.31 119.64 1pch h LEU 22 Ca 0.21 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1pch h LEU 22 Cb 0.16 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1pch h LEU 22 CO -0.02 0.76 0.64 0.00 0.09 0.00 0.00 178.44 179.91 1pch h ALA 23 N 0.82 1.28 -0.14 1.53 0.00 -0.73 0.31 119.26 122.34 1pch h ALA 23 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pch h ALA 23 Cb 0.49 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1pch h ALA 23 CO 0.02 0.56 0.06 -0.22 0.00 0.00 0.00 179.25 179.68 1pch h LYS 24 N 1.27 0.20 -0.26 0.00 3.64 -1.22 -1.42 116.57 118.78 1pch h LYS 24 Ca 0.38 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1pch h LYS 24 Cb -0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1pch h LYS 24 CO -0.11 0.27 0.05 1.49 -2.27 0.00 0.00 179.45 178.88 1pch h GLU 25 N 0.08 0.42 -0.47 1.90 4.57 -0.68 -2.94 114.58 117.46 1pch h GLU 25 Ca 0.05 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1pch h GLU 25 Cb 0.14 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1pch h GLU 25 CO -0.01 0.52 0.31 0.00 -1.18 0.00 0.00 179.01 178.66 1pch h ALA 26 N 0.87 1.69 0.00 2.92 0.00 -0.33 -2.69 119.26 121.73 1pch h ALA 26 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pch h ALA 26 Cb 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pch h ALA 26 CO 0.00 0.27 0.00 0.43 0.00 0.00 0.00 179.25 179.96 1pch n SER 27 N -4.47 0.02 0.20 0.00 7.64 -0.54 -2.13 113.62 114.34 1pch n SER 27 Ca 0.04 0.51 0.10 0.00 1.01 0.00 0.00 58.87 60.53 1pch n SER 27 Cb 0.08 -0.51 0.17 0.00 -1.01 0.00 0.00 64.21 62.93 1pch n SER 27 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1pch h LYS 28 N 0.00 0.00 -5.95 1.43 1.57 -1.54 -3.46 116.57 108.61 1pch h LYS 28 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1pch h LYS 28 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1pch h LYS 28 CO 0.00 0.13 -0.27 -0.06 -0.57 0.00 0.00 179.45 178.68 1pch s PHE 29 N -3.18 3.67 0.26 -1.35 0.08 -0.91 -5.00 117.98 111.56 1pch s PHE 29 Ca 0.06 0.85 0.11 0.00 0.12 0.00 0.00 56.93 58.07 1pch s PHE 29 Cb 0.06 -2.19 0.38 0.00 -0.57 0.00 0.00 43.02 40.71 1pch s PHE 29 CO 0.68 0.64 1.62 0.66 -0.10 0.00 0.00 175.22 178.73 1pch h SER 30 N 4.55 0.00 -3.95 1.36 4.64 -1.89 -3.45 113.55 114.80 1pch h SER 30 Ca -0.52 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.27 1pch h SER 30 Cb 1.22 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 63.50 1pch h SER 30 CO 0.62 0.60 0.07 -1.20 -0.87 0.00 0.00 176.83 176.04 1pch n SER 31 N -3.78 0.10 -4.66 4.97 7.64 -1.26 -4.92 113.62 111.70 1pch n SER 31 Ca -0.01 0.51 -0.42 0.00 1.01 0.00 0.00 58.87 59.96 1pch n SER 31 Cb 0.61 -1.42 -0.04 0.00 -1.01 0.00 0.00 64.21 62.35 1pch n SER 31 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1pch s ASN 32 N -2.12 6.97 -0.26 6.43 0.01 0.73 -4.84 114.94 121.86 1pch s ASN 32 Ca 0.68 1.20 0.02 0.00 -0.71 0.00 0.00 52.86 54.05 1pch s ASN 32 Cb -0.27 -2.47 0.07 0.00 0.41 0.00 0.00 41.25 38.98 1pch s ASN 32 CO 0.56 -0.46 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.00 1pch s ILE 33 N 2.39 1.92 0.04 0.60 1.01 -1.26 -0.86 121.20 125.05 1pch s ILE 33 Ca 0.39 -1.57 0.03 0.00 0.00 0.00 0.00 60.65 59.50 1pch s ILE 33 Cb -0.16 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1pch s ILE 33 CO 0.11 -0.14 0.00 -0.89 0.00 0.00 0.00 174.94 174.03 1pch s THR 34 N 1.20 4.09 -0.11 2.92 2.01 0.01 -0.77 115.64 124.99 1pch s THR 34 Ca -0.05 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1pch s THR 34 Cb -0.19 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1pch s THR 34 CO -0.06 0.27 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.43 1pch s ILE 35 N -1.18 2.45 -0.07 1.82 2.07 0.42 -1.28 121.20 125.44 1pch s ILE 35 Ca 0.22 -0.88 0.06 0.00 -1.41 0.00 0.00 60.65 58.64 1pch s ILE 35 Cb -0.12 -1.98 -0.01 0.00 0.13 0.00 0.00 42.46 40.49 1pch s ILE 35 CO 0.14 0.55 -0.25 -0.63 -1.91 0.00 0.00 174.94 172.84 1pch s ILE 36 N 0.32 2.04 -0.20 2.00 1.01 0.34 0.33 121.20 127.04 1pch s ILE 36 Ca -0.15 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.36 1pch s ILE 36 Cb -0.17 -1.74 0.08 0.00 0.01 0.00 0.00 42.46 40.64 1pch s ILE 36 CO 0.08 0.56 0.45 0.00 0.00 0.00 0.00 174.94 176.03 1pch s ALA 37 N -0.04 -1.23 0.00 9.38 0.00 -0.49 -1.08 121.76 128.29 1pch s ALA 37 Ca -0.07 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1pch s ALA 37 Cb -0.15 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1pch s ALA 37 CO 0.05 -0.57 0.00 0.09 0.00 0.00 0.00 175.76 175.33 1pch n ASN 38 N 4.92 0.00 -0.43 0.00 5.03 -1.26 -0.89 115.26 122.62 1pch n ASN 38 Ca -0.15 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.43 1pch n ASN 38 Cb 0.52 0.00 0.29 0.00 -1.02 0.00 0.00 39.78 39.58 1pch n ASN 38 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1pch n GLU 39 N 14.00 1.27 -3.54 3.52 0.00 -1.26 -4.94 120.64 129.70 1pch n GLU 39 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 57.16 55.94 1pch n GLU 39 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 29.90 1pch n GLU 39 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1pch s LYS 40 N -2.33 3.80 -0.01 3.44 1.02 -0.07 -5.11 119.74 120.48 1pch s LYS 40 Ca 0.26 0.24 0.04 0.00 0.02 0.00 0.00 55.97 56.53 1pch s LYS 40 Cb 0.19 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1pch s LYS 40 CO 0.47 0.55 -0.13 -0.65 -0.92 0.00 0.00 175.35 174.67 1pch s GLN 41 N -1.87 1.06 0.14 1.68 -0.21 -1.26 -1.40 119.66 117.80 1pch s GLN 41 Ca 0.33 -0.46 -0.05 0.00 0.02 0.00 0.00 55.36 55.20 1pch s GLN 41 Cb -0.14 -1.02 -0.02 0.00 1.00 0.00 0.00 33.01 32.82 1pch s GLN 41 CO 0.18 0.27 0.16 0.20 -2.12 0.00 0.00 175.29 173.98 1pch s GLY 42 N -0.28 0.68 -0.27 3.09 0.00 0.15 -4.97 107.32 105.73 1pch s GLY 42 Ca 0.04 -1.15 -0.20 0.00 0.00 0.00 0.00 44.72 43.42 1pch s GLY 42 CO -0.00 -1.09 0.59 0.21 0.00 0.00 0.00 173.10 172.80 1pch s ASN 43 N -2.99 6.51 0.33 1.64 3.84 -1.26 -0.43 114.94 122.58 1pch s ASN 43 Ca 0.19 0.59 0.26 0.00 0.21 0.00 0.00 52.86 54.11 1pch s ASN 43 Cb 0.05 -2.32 1.12 0.00 -0.55 0.00 0.00 41.25 39.55 1pch s ASN 43 CO -0.00 -0.37 1.78 0.25 -2.79 0.00 0.00 177.10 175.97 1pch h LEU 44 N 8.93 0.00 -0.11 3.21 5.85 -1.28 -1.77 115.31 130.13 1pch h LEU 44 Ca -0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1pch h LEU 44 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1pch h LEU 44 CO 0.76 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 179.15 1pch n LYS 45 N -2.44 0.25 -3.64 1.25 5.02 -1.26 -3.63 118.16 113.72 1pch n LYS 45 Ca 0.01 0.25 -0.39 0.00 -2.02 0.00 0.00 58.31 56.16 1pch n LYS 45 Cb 0.22 -1.81 -0.11 0.00 -0.02 0.00 0.00 35.03 33.31 1pch n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pch s SER 46 N -4.47 5.65 0.24 4.39 0.15 -0.67 -4.79 113.70 114.21 1pch s SER 46 Ca 0.10 -0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.28 1pch s SER 46 Cb 0.12 -2.03 0.27 0.00 -1.71 0.00 0.00 66.02 62.67 1pch s SER 46 CO 0.56 -0.17 1.77 -0.29 1.20 0.00 0.00 173.24 176.32 1pch h ILE 47 N 5.59 1.25 -0.40 6.45 2.10 -1.84 -1.73 117.51 128.92 1pch h ILE 47 Ca -0.33 -0.90 -0.01 0.00 1.08 0.00 0.00 64.86 64.70 1pch h ILE 47 Cb 1.16 0.61 -0.02 0.00 -1.09 0.00 0.00 36.82 37.48 1pch h ILE 47 CO 0.61 0.34 0.21 -0.03 -1.08 0.00 0.00 178.15 178.19 1pch h MET 48 N 0.93 0.57 -0.52 2.19 4.05 -1.94 -0.09 114.93 120.13 1pch h MET 48 Ca 0.20 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.58 1pch h MET 48 Cb 0.34 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 1pch h MET 48 CO 0.00 0.49 0.28 -0.91 0.23 0.00 0.00 176.91 177.00 1pch h ASN 49 N 0.52 0.43 -0.38 1.39 -0.26 -1.78 0.04 115.58 115.55 1pch h ASN 49 Ca 0.14 0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.77 1pch h ASN 49 Cb 0.09 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1pch h ASN 49 CO -0.02 0.30 -0.27 0.58 -1.06 0.00 0.00 177.43 176.96 1pch h VAL 50 N 0.56 1.28 -0.50 2.81 2.07 -1.16 -2.77 116.25 118.54 1pch h VAL 50 Ca 0.22 -1.43 -0.09 0.00 0.82 0.00 0.00 66.70 66.22 1pch h VAL 50 Cb 0.09 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1pch h VAL 50 CO -0.13 0.48 -0.06 0.24 0.02 0.00 0.00 177.57 178.11 1pch h MET 51 N 0.65 0.87 0.00 1.57 2.86 -0.71 -2.68 114.93 117.50 1pch h MET 51 Ca 0.07 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1pch h MET 51 Cb 0.85 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 1pch h MET 51 CO 0.07 0.91 -0.06 0.00 1.06 0.00 0.00 176.91 178.89 1pch h ALA 52 N 1.13 1.25 0.00 6.32 0.00 -0.86 -0.79 119.26 126.32 1pch h ALA 52 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1pch h ALA 52 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1pch h ALA 52 CO 0.03 0.08 -0.25 0.52 0.00 0.00 0.00 179.25 179.63 1pch h MET 53 N 0.00 0.00 -6.30 0.00 2.86 -1.19 -3.47 114.93 106.82 1pch h MET 53 Ca -0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 1pch h MET 53 Cb 0.22 0.00 0.05 0.00 0.06 0.00 0.00 31.60 31.93 1pch h MET 53 CO 0.01 0.25 -0.92 0.00 1.06 0.00 0.00 176.91 177.30 1pch n ALA 54 N -2.25 -2.39 -2.55 6.32 0.00 -0.30 -4.86 120.51 114.48 1pch n ALA 54 Ca -0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1pch n ALA 54 Cb 0.43 -3.31 -0.02 0.00 0.00 0.00 0.00 19.45 16.55 1pch n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pch s ILE 55 N -3.60 4.47 0.39 0.00 1.01 -1.26 -4.98 121.20 117.23 1pch s ILE 55 Ca 0.33 1.78 0.08 0.00 0.00 0.00 0.00 60.65 62.83 1pch s ILE 55 Cb -0.12 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1pch s ILE 55 CO 0.87 -0.05 0.30 -0.54 0.00 0.00 0.00 174.94 175.52 1pch s LYS 56 N 2.53 2.51 0.29 2.79 -0.14 -1.26 -1.37 119.74 125.09 1pch s LYS 56 Ca 0.52 -1.52 -0.27 0.00 -1.36 0.00 0.00 55.97 53.33 1pch s LYS 56 Cb -0.21 -2.32 -0.14 0.00 -1.68 0.00 0.00 37.83 33.48 1pch s LYS 56 CO 0.17 -0.08 0.90 2.41 -0.76 0.00 0.00 175.35 177.99 1pch n THR 57 N -1.41 2.00 -0.07 2.17 -1.04 -1.26 -1.84 114.28 112.83 1pch n THR 57 Ca 0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1pch n THR 57 Cb 0.62 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 1pch n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pch n GLY 58 N 1.38 1.54 3.74 3.41 0.00 -0.37 -5.01 105.19 109.89 1pch n GLY 58 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1pch n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pch s THR 59 N -2.62 3.51 -0.24 2.61 2.01 -0.77 -4.72 115.64 115.42 1pch s THR 59 Ca 0.00 1.32 -0.17 0.00 0.31 0.00 0.00 61.69 63.15 1pch s THR 59 Cb 0.00 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1pch s THR 59 CO 0.00 0.24 0.45 -0.70 -0.69 0.00 0.00 174.62 173.92 1pch s GLU 60 N -0.53 4.10 0.25 4.92 2.12 -1.26 -1.22 118.70 127.07 1pch s GLU 60 Ca 0.51 0.24 0.09 0.00 0.36 0.00 0.00 54.97 56.18 1pch s GLU 60 Cb -0.33 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1pch s GLU 60 CO 0.38 -0.23 -0.01 0.96 -0.54 0.00 0.00 175.26 175.82 1pch s ILE 61 N 1.91 3.46 -0.05 -3.70 -4.36 -0.18 -4.49 121.20 113.79 1pch s ILE 61 Ca 0.20 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 1pch s ILE 61 Cb -0.15 -2.83 0.01 0.00 1.25 0.00 0.00 42.46 40.74 1pch s ILE 61 CO 0.09 -0.33 -0.10 -0.89 0.24 0.00 0.00 174.94 173.95 1pch s THR 62 N -2.22 0.96 -0.17 8.37 2.01 -0.24 -0.84 115.64 123.50 1pch s THR 62 Ca 0.30 -0.40 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 1pch s THR 62 Cb -0.07 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1pch s THR 62 CO 0.19 0.31 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.74 1pch s ILE 63 N 0.58 3.52 -0.14 1.82 -1.09 0.64 -0.51 121.20 126.01 1pch s ILE 63 Ca -0.11 -0.47 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 1pch s ILE 63 Cb -0.14 -2.55 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1pch s ILE 63 CO 0.02 0.47 -0.21 -1.58 -1.23 0.00 0.00 174.94 172.41 1pch s GLN 64 N 0.77 3.05 -0.10 2.79 2.00 -0.40 -1.24 119.66 126.54 1pch s GLN 64 Ca -0.02 -0.84 0.03 0.00 -2.00 0.00 0.00 55.36 52.53 1pch s GLN 64 Cb -0.15 -2.46 -0.01 0.00 0.80 0.00 0.00 33.01 31.20 1pch s GLN 64 CO 0.02 -0.00 -0.20 0.00 -0.50 0.00 0.00 175.29 174.60 1pch s ALA 65 N 0.80 2.35 -0.09 1.58 0.00 0.20 -0.81 121.76 125.78 1pch s ALA 65 Ca -0.07 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 1pch s ALA 65 Cb -0.16 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1pch s ALA 65 CO -0.01 0.33 -0.05 -0.51 0.00 0.00 0.00 175.76 175.52 1pch s ASP 66 N 0.14 1.84 0.00 0.00 1.01 -0.04 -0.42 116.67 119.21 1pch s ASP 66 Ca -0.10 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 52.94 1pch s ASP 66 Cb -0.16 -0.67 0.00 0.00 1.01 0.00 0.00 42.92 43.10 1pch s ASP 66 CO 0.06 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 175.92 1pch n GLY 67 N 4.86 0.65 0.25 0.21 0.00 -1.26 -0.19 105.19 109.71 1pch n GLY 67 Ca -0.12 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.35 1pch n GLY 67 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1pch h ASN 68 N 0.00 0.00 -0.23 1.61 -1.07 -1.98 -2.46 115.58 111.46 1pch h ASN 68 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.33 1pch h ASN 68 Cb 0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 1pch h ASN 68 CO 0.00 0.15 -0.03 -0.90 0.07 0.00 0.00 177.43 176.72 1pch n ASP 69 N -3.72 3.25 -0.29 6.14 5.68 -1.26 -4.72 116.55 121.62 1pch n ASP 69 Ca -0.02 -3.21 0.06 0.00 -0.50 0.00 0.00 54.79 51.12 1pch n ASP 69 Cb 0.26 -0.54 0.20 0.00 -1.14 0.00 0.00 41.12 39.90 1pch n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pch h ALA 70 N 1.27 1.24 -0.63 2.12 0.00 -1.77 0.31 119.26 121.79 1pch h ALA 70 Ca 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1pch h ALA 70 Cb 1.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1pch h ALA 70 CO 0.21 -0.03 0.24 -0.44 0.00 0.00 0.00 179.25 179.23 1pch h ASP 71 N 0.67 0.86 -0.16 0.00 3.32 -1.84 -0.31 116.42 118.95 1pch h ASP 71 Ca 0.44 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.24 1pch h ASP 71 Cb 0.56 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1pch h ASP 71 CO -0.33 0.77 -0.40 1.56 -1.72 0.00 0.00 179.24 179.13 1pch h GLN 72 N 0.92 0.56 -0.48 3.56 4.20 -1.60 -3.17 115.11 119.09 1pch h GLN 72 Ca 0.21 -0.38 0.09 0.00 0.06 0.00 0.00 58.65 58.63 1pch h GLN 72 Cb 0.19 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.96 1pch h GLN 72 CO -0.02 1.00 0.07 0.00 -0.67 0.00 0.00 178.83 179.21 1pch h ALA 73 N 0.56 0.52 -0.74 3.87 0.00 -0.70 0.69 119.26 123.46 1pch h ALA 73 Ca -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1pch h ALA 73 Cb 1.01 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1pch h ALA 73 CO 0.09 -0.33 0.38 0.82 0.00 0.00 0.00 179.25 180.21 1pch h ILE 74 N 0.20 1.23 -0.51 0.00 1.08 -1.10 0.26 117.51 118.67 1pch h ILE 74 Ca 0.24 -0.60 -0.09 0.00 -0.39 0.00 0.00 64.86 64.02 1pch h ILE 74 Cb 0.34 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 1pch h ILE 74 CO -0.34 0.26 -0.05 1.56 -0.69 0.00 0.00 178.15 178.89 1pch h GLN 75 N 1.02 0.93 -0.27 2.37 1.08 -1.37 0.96 115.11 119.84 1pch h GLN 75 Ca 0.26 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1pch h GLN 75 Cb 0.07 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1pch h GLN 75 CO -0.04 0.98 0.17 0.00 -0.95 0.00 0.00 178.83 178.99 1pch h ALA 76 N 0.92 0.34 -0.43 3.87 0.00 -0.55 0.19 119.26 123.59 1pch h ALA 76 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1pch h ALA 76 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1pch h ALA 76 CO 0.04 -0.17 0.05 0.82 0.00 0.00 0.00 179.25 179.98 1pch h ILE 77 N 0.35 1.25 -0.16 0.00 1.08 -0.77 -0.46 117.51 118.80 1pch h ILE 77 Ca 0.10 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1pch h ILE 77 Cb -0.01 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1pch h ILE 77 CO -0.02 0.33 0.10 0.50 -0.69 0.00 0.00 178.15 178.37 1pch h LYS 78 N 0.59 0.22 -0.91 2.37 3.64 -0.58 -0.80 116.57 121.09 1pch h LYS 78 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1pch h LYS 78 Cb 0.42 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1pch h LYS 78 CO 0.01 0.16 0.59 0.37 -2.27 0.00 0.00 179.45 178.31 1pch h GLN 79 N 0.21 1.22 -0.79 1.90 5.75 -0.45 -1.23 115.11 121.72 1pch h GLN 79 Ca 0.06 -0.09 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1pch h GLN 79 Cb -0.00 -0.27 -0.05 0.00 1.07 0.00 0.00 27.48 28.23 1pch h GLN 79 CO -0.01 0.82 0.49 1.15 -2.65 0.00 0.00 178.83 178.63 1pch h THR 80 N 1.25 1.08 -0.51 2.39 2.02 -0.62 0.35 112.91 118.86 1pch h THR 80 Ca 0.33 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 1pch h THR 80 Cb -0.11 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.34 1pch h THR 80 CO -0.07 0.17 0.05 0.24 0.37 0.00 0.00 175.52 176.28 1pch h MET 81 N 0.93 0.82 -0.15 6.66 2.86 -0.22 0.69 114.93 126.53 1pch h MET 81 Ca 0.33 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1pch h MET 81 Cb 0.07 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1pch h MET 81 CO -0.14 0.79 -0.06 0.82 1.06 0.00 0.00 176.91 179.39 1pch h ILE 82 N 0.78 1.31 -0.41 -1.22 2.04 -0.65 0.25 117.51 119.61 1pch h ILE 82 Ca 0.16 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1pch h ILE 82 Cb 0.40 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1pch h ILE 82 CO 0.01 0.31 0.22 0.44 0.00 0.00 0.00 178.15 179.13 1pch h ASP 83 N -0.02 0.49 -0.17 1.72 3.32 -0.04 0.26 116.42 121.99 1pch h ASP 83 Ca 0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pch h ASP 83 Cb 0.52 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1pch h ASP 83 CO 0.02 0.40 0.00 0.35 -1.72 0.00 0.00 179.24 178.29 1pch n THR 84 N -4.43 0.21 -1.88 0.35 -2.24 0.21 -4.89 114.28 101.61 1pch n THR 84 Ca 0.03 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1pch n THR 84 Cb 0.10 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 1pch n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pch n ALA 85 N 0.23 -0.33 0.08 6.98 0.00 0.08 -4.88 120.51 122.67 1pch n ALA 85 Ca 0.15 0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.70 1pch n ALA 85 Cb 0.30 -1.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 1pch n ALA 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pch h LEU 86 N 0.00 0.02 -8.86 0.00 5.85 -0.74 -3.37 115.31 108.22 1pch h LEU 86 Ca -0.32 -0.02 -0.34 0.00 0.84 0.00 0.00 57.88 58.04 1pch h LEU 86 Cb 1.10 -0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.98 1pch h LEU 86 CO 0.41 0.91 -0.62 0.27 -0.34 0.00 0.00 178.44 179.07 1pch s ILE 87 N -2.97 0.58 -0.03 4.05 -4.36 -1.19 -0.18 121.20 117.11 1pch s ILE 87 Ca 0.00 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.25 1pch s ILE 87 Cb 0.11 -2.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 1pch s ILE 87 CO 0.81 -0.06 0.39 -1.10 0.24 0.00 0.00 174.94 175.22 1pch s GLN 88 N -4.02 3.95 0.00 0.37 -0.21 -1.26 -4.53 119.66 113.95 1pch s GLN 88 Ca 0.36 0.37 0.31 0.00 0.02 0.00 0.00 55.36 56.42 1pch s GLN 88 Cb 0.08 -3.25 1.74 0.00 1.00 0.00 0.00 33.01 32.58 1pch s GLN 88 CO 0.12 0.63 2.13 0.41 -2.12 0.00 0.00 175.29 176.46