#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spk s SER 2 N 0.00 6.79 0.03 1.61 0.15 -1.26 -4.99 113.70 116.03 1spk s SER 2 Ca 0.00 0.79 -0.28 0.00 0.70 0.00 0.00 55.95 57.17 1spk s SER 2 Cb 0.00 -2.50 0.07 0.00 -1.71 0.00 0.00 66.02 61.88 1spk s SER 2 CO 0.00 -0.88 0.65 -0.44 1.20 0.00 0.00 173.24 173.76 1spk s SER 3 N 1.81 -0.62 0.00 5.45 0.01 -1.26 -4.99 113.70 114.10 1spk s SER 3 Ca 0.42 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.11 1spk s SER 3 Cb -0.12 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1spk s SER 3 CO 0.18 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1spk n GLY 4 N 0.40 -1.09 0.07 3.44 0.00 -1.26 -4.64 105.19 102.11 1spk n GLY 4 Ca -0.18 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.42 1spk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1spk n SER 5 N -1.21 0.47 -4.18 1.61 7.64 -1.26 -4.72 113.62 111.96 1spk n SER 5 Ca 0.00 0.57 -0.22 0.00 1.01 0.00 0.00 58.87 60.23 1spk n SER 5 Cb 0.00 -0.69 -0.14 0.00 -1.01 0.00 0.00 64.21 62.37 1spk n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1spk s SER 6 N -3.88 1.98 0.00 6.43 0.01 -1.26 -4.95 113.70 112.04 1spk s SER 6 Ca 0.09 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1spk s SER 6 Cb 0.13 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1spk s SER 6 CO 0.48 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.84 1spk n GLY 7 N 1.98 0.26 3.55 3.44 0.00 -1.26 -4.91 105.19 108.24 1spk n GLY 7 Ca -0.17 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1spk n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1spk n GLN 8 N 0.00 -0.26 -4.88 1.61 3.00 -1.25 -4.45 117.38 111.14 1spk n GLN 8 Ca 0.00 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.66 1spk n GLN 8 Cb 0.00 -2.12 -0.14 0.00 0.00 0.00 0.00 30.24 27.98 1spk n GLN 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1spk s LYS 9 N -4.01 2.02 0.12 -1.09 1.02 -1.26 0.37 119.74 116.91 1spk s LYS 9 Ca 0.63 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.69 1spk s LYS 9 Cb -0.24 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1spk s LYS 9 CO 0.61 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.59 1spk s VAL 10 N -0.81 1.32 -0.09 3.17 -7.23 -0.71 -1.74 120.40 114.31 1spk s VAL 10 Ca 0.12 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1spk s VAL 10 Cb -0.10 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.30 1spk s VAL 10 CO 0.02 -0.43 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.41 1spk s LYS 11 N -2.69 2.90 0.14 4.82 2.20 0.34 -1.78 119.74 125.66 1spk s LYS 11 Ca 0.09 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 1spk s LYS 11 Cb -0.05 -2.28 -0.07 0.00 -1.51 0.00 0.00 37.83 33.93 1spk s LYS 11 CO 0.03 0.26 1.12 0.95 -0.36 0.00 0.00 175.35 177.35 1spk s THR 12 N 0.15 3.96 -0.80 3.43 -4.23 -1.01 0.17 115.64 117.31 1spk s THR 12 Ca -0.13 1.58 0.19 0.00 -1.18 0.00 0.00 61.69 62.16 1spk s THR 12 Cb -0.16 -4.01 -0.22 0.00 1.34 0.00 0.00 72.50 69.45 1spk s THR 12 CO 0.07 0.22 0.77 2.30 -0.54 0.00 0.00 174.62 177.44 1spk n ILE 13 N 2.89 0.00 -3.86 2.99 -5.35 -1.18 -0.63 119.36 114.21 1spk n ILE 13 Ca 0.05 -0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.32 1spk n ILE 13 Cb 0.46 0.88 -0.10 0.00 -1.74 0.00 0.00 39.64 39.15 1spk n ILE 13 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1spk s PHE 14 N -2.88 0.03 0.49 4.28 0.08 -1.26 -4.89 117.98 113.84 1spk s PHE 14 Ca 0.05 -0.10 -0.20 0.00 0.12 0.00 0.00 56.93 56.81 1spk s PHE 14 Cb 0.14 -0.04 -0.08 0.00 -0.57 0.00 0.00 43.02 42.47 1spk s PHE 14 CO 0.79 -0.28 1.04 -1.25 -0.10 0.00 0.00 175.22 175.41 1spk s PRO 15 N -1.33 3.77 -0.38 0.24 0.04 -1.26 -4.28 135.00 131.80 1spk s PRO 15 Ca -0.14 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.21 1spk s PRO 15 Cb -0.07 -2.09 0.20 0.00 0.04 0.00 0.00 34.50 32.57 1spk s PRO 15 CO 0.02 -0.45 0.96 -1.58 0.04 0.00 0.00 177.00 175.99 1spk s HIS 16 N -2.02 -0.73 0.09 0.56 2.46 -1.24 -4.97 115.29 109.44 1spk s HIS 16 Ca 0.67 -0.10 -0.22 0.00 0.47 0.00 0.00 55.06 55.89 1spk s HIS 16 Cb -0.16 0.14 -0.07 0.00 -0.13 0.00 0.00 32.58 32.36 1spk s HIS 16 CO 0.21 -0.54 0.65 0.99 -2.47 0.00 0.00 174.74 173.58 1spk s THR 17 N 1.36 4.65 0.01 0.89 2.01 -1.26 -3.91 115.64 119.39 1spk s THR 17 Ca 0.21 1.40 -0.25 0.00 0.31 0.00 0.00 61.69 63.35 1spk s THR 17 Cb 0.06 -3.99 -0.14 0.00 0.01 0.00 0.00 72.50 68.44 1spk s THR 17 CO -0.11 0.51 1.09 0.00 -0.69 0.00 0.00 174.62 175.43 1spk h ALA 18 N 4.71 -0.96 -4.62 7.40 0.00 -1.53 -3.49 119.26 120.77 1spk h ALA 18 Ca -0.48 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.24 1spk h ALA 18 Cb 1.21 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 1spk h ALA 18 CO 0.66 -0.89 -1.17 0.41 0.00 0.00 0.00 179.25 178.25 1spk n GLY 19 N -0.65 -4.65 4.95 0.00 0.00 -1.26 -4.04 105.19 99.54 1spk n GLY 19 Ca -0.11 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.04 1spk n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1spk n ASN 20 N 1.17 0.00 -4.23 1.61 5.15 -1.26 -4.93 115.26 112.77 1spk n ASN 20 Ca -0.26 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.38 1spk n ASN 20 Cb 0.40 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.80 1spk n ASN 20 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1spk n ASN 21 N 3.49 -2.49 0.07 1.20 4.13 -1.26 -4.99 115.26 115.41 1spk n ASN 21 Ca 0.00 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.16 1spk n ASN 21 Cb 0.00 -0.87 0.00 0.00 -1.54 0.00 0.00 39.78 37.37 1spk n ASN 21 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1spk n LYS 22 N -1.25 0.00 -0.36 3.52 5.02 -1.26 -4.83 118.16 119.00 1spk n LYS 22 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1spk n LYS 22 Cb 0.65 -0.33 0.04 0.00 -0.02 0.00 0.00 35.03 35.37 1spk n LYS 22 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1spk n THR 23 N -3.36 -0.50 -2.51 -0.18 -2.24 -1.26 -4.23 114.28 100.00 1spk n THR 23 Ca 0.00 2.22 -0.40 0.00 -2.27 0.00 0.00 64.05 63.60 1spk n THR 23 Cb 0.07 -2.92 -0.04 0.00 -2.10 0.00 0.00 70.33 65.33 1spk n THR 23 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1spk s LEU 24 N -10.78 4.50 0.00 3.22 1.43 -1.26 -0.60 118.68 115.20 1spk s LEU 24 Ca -0.13 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1spk s LEU 24 Cb 0.19 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1spk s LEU 24 CO 0.67 -0.16 0.00 -0.11 0.23 0.00 0.00 176.35 176.98 1spk n LEU 25 N 1.03 0.00 -3.45 1.79 0.00 -1.24 -4.62 117.00 110.51 1spk n LEU 25 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.02 1spk n LEU 25 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.84 1spk n LEU 25 CO 0.52 -0.01 0.51 -0.94 0.00 0.00 0.00 177.39 177.48 1spk s SER 26 N -1.15 -0.73 0.33 1.96 1.04 -1.26 -1.53 113.70 112.36 1spk s SER 26 Ca 0.00 0.98 -0.14 0.00 0.48 0.00 0.00 55.95 57.28 1spk s SER 26 Cb 0.00 1.82 0.03 0.00 0.10 0.00 0.00 66.02 67.97 1spk s SER 26 CO 0.00 -0.14 0.66 0.72 0.98 0.00 0.00 173.24 175.46 1spk s PHE 27 N 2.58 0.29 -0.02 5.02 -0.12 -1.25 -4.96 117.98 119.51 1spk s PHE 27 Ca -0.03 -0.78 0.06 0.00 -0.05 0.00 0.00 56.93 56.13 1spk s PHE 27 Cb -0.08 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.82 1spk s PHE 27 CO -0.18 -1.33 -0.22 0.00 -0.05 0.00 0.00 175.22 173.45 1spk s ALA 28 N -3.05 1.81 -0.46 1.99 0.00 -1.26 -3.67 121.76 117.12 1spk s ALA 28 Ca 0.19 -0.92 -0.43 0.00 0.00 0.00 0.00 51.96 50.80 1spk s ALA 28 Cb -0.04 -0.49 -0.18 0.00 0.00 0.00 0.00 23.12 22.41 1spk s ALA 28 CO 0.12 0.42 1.53 0.94 0.00 0.00 0.00 175.76 178.78 1spk n GLN 29 N 2.65 0.00 0.00 0.00 7.27 -1.26 0.17 117.38 126.21 1spk n GLN 29 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.91 1spk n GLN 29 Cb 0.52 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.80 1spk n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1spk n GLY 30 N 4.09 2.51 3.37 1.69 0.00 0.20 -4.99 105.19 112.06 1spk n GLY 30 Ca 0.31 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1spk n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1spk n ASP 31 N 0.16 -2.28 -4.34 1.61 9.92 0.13 -4.51 116.55 117.24 1spk n ASP 31 Ca 0.00 0.51 -0.32 0.00 -0.53 0.00 0.00 54.79 54.45 1spk n ASP 31 Cb 0.00 -1.11 -0.15 0.00 -0.64 0.00 0.00 41.12 39.22 1spk n ASP 31 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1spk s VAL 32 N -2.00 2.57 0.03 2.53 1.01 -1.26 -2.41 120.40 120.87 1spk s VAL 32 Ca 0.60 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1spk s VAL 32 Cb -0.33 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1spk s VAL 32 CO 0.64 0.56 -0.23 -0.76 0.00 0.00 0.00 175.10 175.30 1spk s LEU 33 N -0.05 2.13 -0.23 3.92 1.43 -0.74 -3.12 118.68 122.03 1spk s LEU 33 Ca -0.05 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 1spk s LEU 33 Cb -0.14 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1spk s LEU 33 CO 0.04 0.23 0.44 -0.89 0.23 0.00 0.00 176.35 176.40 1spk s THR 34 N -0.73 5.15 0.37 5.49 2.01 0.14 -1.73 115.64 126.34 1spk s THR 34 Ca 0.09 0.76 -0.25 0.00 0.31 0.00 0.00 61.69 62.61 1spk s THR 34 Cb -0.09 -3.76 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 1spk s THR 34 CO 0.01 0.18 0.99 -0.76 -0.69 0.00 0.00 174.62 174.36 1spk s LEU 35 N 1.74 4.21 -0.14 4.42 1.43 0.16 0.27 118.68 130.77 1spk s LEU 35 Ca 0.19 1.91 -0.08 0.00 -1.03 0.00 0.00 54.13 55.12 1spk s LEU 35 Cb -0.15 -4.15 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 1spk s LEU 35 CO 0.09 -0.29 -0.20 0.18 0.23 0.00 0.00 176.35 176.36 1spk n LEU 36 N 0.15 1.22 -4.80 1.79 4.77 -1.11 -3.92 117.00 115.11 1spk n LEU 36 Ca 0.04 0.21 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 1spk n LEU 36 Cb 0.50 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1spk n LEU 36 CO 0.44 0.15 -0.08 0.27 -1.33 0.00 0.00 177.39 176.84 1spk s ILE 37 N -2.34 5.35 -0.58 -0.08 -4.36 -1.26 -4.72 121.20 113.21 1spk s ILE 37 Ca -0.21 0.41 0.25 0.00 -0.26 0.00 0.00 60.65 60.84 1spk s ILE 37 Cb 0.07 -3.53 0.27 0.00 1.25 0.00 0.00 42.46 40.52 1spk s ILE 37 CO 0.27 0.52 1.75 1.55 0.24 0.00 0.00 174.94 179.27 1spk h PRO 38 N 5.69 0.00 -6.94 0.37 0.13 -1.94 -3.44 132.00 125.88 1spk h PRO 38 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 1spk h PRO 38 Cb 1.20 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.38 1spk h PRO 38 CO 0.67 0.00 0.03 -1.21 -0.23 0.00 0.00 178.00 177.26 1spk s GLU 39 N -3.22 2.58 0.03 0.86 8.01 -1.26 -5.11 118.70 120.58 1spk s GLU 39 Ca 0.07 -0.56 0.07 0.00 0.01 0.00 0.00 54.97 54.56 1spk s GLU 39 Cb 0.11 -2.41 -0.02 0.00 -4.31 0.00 0.00 34.13 27.49 1spk s GLU 39 CO 0.50 -0.76 -0.21 -1.83 0.01 0.00 0.00 175.26 172.98 1spk s GLU 40 N -4.85 1.45 -1.42 1.61 1.03 -1.26 -4.64 118.70 110.61 1spk s GLU 40 Ca 0.56 -0.90 -0.12 0.00 0.03 0.00 0.00 54.97 54.55 1spk s GLU 40 Cb -0.10 -1.53 -0.04 0.00 -0.80 0.00 0.00 34.13 31.65 1spk s GLU 40 CO 0.40 0.40 2.53 1.17 -1.33 0.00 0.00 175.26 178.43 1spk n LYS 41 N 2.00 3.05 -3.56 -4.83 4.81 0.50 -4.28 118.16 115.85 1spk n LYS 41 Ca -0.17 -2.23 -0.22 0.00 -0.87 0.00 0.00 58.31 54.82 1spk n LYS 41 Cb 0.53 -2.94 0.08 0.00 0.02 0.00 0.00 35.03 32.72 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1spk n ASP 42 N 4.85 -5.49 0.00 3.14 8.00 -1.26 -2.96 116.55 122.83 1spk n ASP 42 Ca 0.63 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1spk n ASP 42 Cb 0.29 -5.05 0.00 0.00 -0.02 0.00 0.00 41.12 36.34 1spk n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1spk n GLY 43 N -1.83 3.45 3.76 0.44 0.00 -1.26 -5.08 105.19 104.67 1spk n GLY 43 Ca -0.05 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1spk n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 44 N 0.00 2.51 0.07 1.61 0.52 -1.16 -1.47 118.94 121.02 1spk s TRP 44 Ca 0.00 1.55 0.04 0.00 0.02 0.00 0.00 56.10 57.71 1spk s TRP 44 Cb 0.00 -3.31 -0.03 0.00 -1.15 0.00 0.00 33.47 28.99 1spk s TRP 44 CO 0.00 -1.88 -0.12 -0.51 0.02 0.00 0.00 176.95 174.45 1spk s LEU 45 N -4.44 2.28 0.04 2.99 1.43 0.39 0.19 118.68 121.56 1spk s LEU 45 Ca 0.72 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1spk s LEU 45 Cb -0.25 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1spk s LEU 45 CO 0.36 -0.12 0.04 -0.47 0.23 0.00 0.00 176.35 176.39 1spk s TYR 46 N -1.38 3.13 0.02 0.29 5.04 -1.26 -2.18 117.35 121.01 1spk s TYR 46 Ca -0.03 0.08 -0.28 0.00 -2.44 0.00 0.00 57.07 54.40 1spk s TYR 46 Cb -0.10 -1.64 0.10 0.00 0.35 0.00 0.00 41.96 40.67 1spk s TYR 46 CO 0.02 0.50 1.24 0.20 -1.34 0.00 0.00 175.55 176.17 1spk s GLY 47 N -1.97 -0.14 0.24 8.97 0.00 -1.25 -2.73 107.32 110.45 1spk s GLY 47 Ca 0.24 0.09 0.08 0.00 0.00 0.00 0.00 44.72 45.12 1spk s GLY 47 CO 0.16 4.14 0.12 1.85 0.00 0.00 0.00 173.10 179.37 1spk s GLU 48 N -2.12 2.70 0.09 2.90 2.12 0.75 -3.43 118.70 121.71 1spk s GLU 48 Ca 0.25 -1.14 -0.02 0.00 0.36 0.00 0.00 54.97 54.42 1spk s GLU 48 Cb 0.00 -2.44 -0.05 0.00 0.26 0.00 0.00 34.13 31.90 1spk s GLU 48 CO -0.00 0.40 0.28 -1.58 -0.54 0.00 0.00 175.26 173.82 1spk s HIS 49 N -2.12 3.51 -0.64 5.30 5.65 -0.54 0.27 115.29 126.71 1spk s HIS 49 Ca 0.32 0.39 -0.02 0.00 0.25 0.00 0.00 55.06 56.00 1spk s HIS 49 Cb -0.08 -1.87 0.29 0.00 -1.18 0.00 0.00 32.58 29.74 1spk s HIS 49 CO 0.23 0.53 2.21 -3.47 -0.65 0.00 0.00 174.74 173.59 1spk n ASP 50 N 0.27 7.19 0.00 9.88 2.03 -1.18 -3.44 116.55 131.30 1spk n ASP 50 Ca -0.04 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 51.69 1spk n ASP 50 Cb 0.51 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1spk n ASP 50 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1spk n THR 51 N -0.17 0.00 0.21 5.18 -1.04 -1.26 -4.93 114.28 112.27 1spk n THR 51 Ca 0.52 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.60 1spk n THR 51 Cb 0.46 0.00 0.47 0.00 -1.82 0.00 0.00 70.33 69.44 1spk n THR 51 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1spk h THR 52 N 0.00 0.94 0.00 12.58 1.35 -1.93 -3.45 112.91 122.39 1spk h THR 52 Ca 0.00 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1spk h THR 52 Cb 0.00 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1spk h THR 52 CO 0.00 0.28 0.00 0.29 -0.25 0.00 0.00 175.52 175.84 1spk n LYS 53 N -3.82 0.00 -2.39 4.72 4.76 -1.22 -5.00 118.16 115.21 1spk n LYS 53 Ca -0.01 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.16 1spk n LYS 53 Cb 0.37 -2.11 0.03 0.00 -1.84 0.00 0.00 35.03 31.49 1spk n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1spk s ALA 54 N -3.61 3.30 -0.03 7.82 0.00 -1.26 -4.64 121.76 123.33 1spk s ALA 54 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1spk s ALA 54 Cb 0.00 -2.61 -0.00 0.00 0.00 0.00 0.00 23.12 20.51 1spk s ALA 54 CO 0.00 -0.79 -0.12 1.03 0.00 0.00 0.00 175.76 175.88 1spk s ARG 55 N -4.99 1.25 0.00 0.00 0.52 -1.26 -1.47 118.95 113.00 1spk s ARG 55 Ca 0.54 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 1spk s ARG 55 Cb -0.11 -1.14 0.00 0.00 0.52 0.00 0.00 34.95 34.23 1spk s ARG 55 CO 0.45 0.18 0.00 0.41 0.02 0.00 0.00 175.30 176.36 1spk n GLY 56 N 3.18 4.17 3.47 -3.53 0.00 -1.22 -4.86 105.19 106.40 1spk n GLY 56 Ca -0.18 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1spk n GLY 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 57 N -1.68 2.88 0.04 1.61 0.52 0.24 -3.83 118.94 118.72 1spk s TRP 57 Ca 0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 56.10 55.75 1spk s TRP 57 Cb 0.00 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1spk s TRP 57 CO 0.00 0.03 0.08 -0.59 0.02 0.00 0.00 176.95 176.49 1spk s PHE 58 N -0.09 0.22 -0.07 -1.98 -0.12 -0.93 -3.65 117.98 111.36 1spk s PHE 58 Ca -0.00 -0.53 -0.30 0.00 -0.05 0.00 0.00 56.93 56.05 1spk s PHE 58 Cb -0.13 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 1spk s PHE 58 CO 0.03 -0.36 1.23 -1.25 -0.05 0.00 0.00 175.22 174.83 1spk s PRO 59 N -2.61 4.32 0.63 1.99 0.04 -1.26 0.15 135.00 138.26 1spk s PRO 59 Ca -0.05 1.70 0.26 0.00 0.04 0.00 0.00 61.00 62.94 1spk s PRO 59 Cb -0.01 -3.60 1.30 0.00 0.04 0.00 0.00 34.50 32.22 1spk s PRO 59 CO -0.05 -0.51 1.73 0.66 0.04 0.00 0.00 177.00 178.87 1spk h SER 60 N 7.65 0.00 0.44 6.66 4.64 -1.55 1.47 113.55 132.86 1spk h SER 60 Ca -0.33 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.87 1spk h SER 60 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1spk h SER 60 CO 0.90 0.00 -0.52 -1.28 -0.87 0.00 0.00 176.83 175.06 1spk h SER 61 N 0.00 0.10 -0.16 4.97 0.87 -1.90 -2.31 113.55 115.12 1spk h SER 61 Ca 0.15 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1spk h SER 61 Cb 1.30 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1spk h SER 61 CO -0.00 0.61 0.00 -1.22 -0.53 0.00 0.00 176.83 175.69 1spk n TYR 62 N -3.92 0.21 -3.90 2.24 4.02 0.50 -4.82 117.16 111.49 1spk n TYR 62 Ca -0.02 -0.10 -0.09 0.00 -0.01 0.00 0.00 57.90 57.68 1spk n TYR 62 Cb 0.55 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.78 1spk n TYR 62 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1spk s THR 63 N -1.79 0.13 0.10 -0.72 -4.23 -0.87 -3.12 115.64 105.14 1spk s THR 63 Ca 0.13 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 1spk s THR 63 Cb 0.07 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 1spk s THR 63 CO 0.09 -0.61 -0.12 -0.54 -0.54 0.00 0.00 174.62 172.91 1spk s LYS 64 N -2.95 0.87 0.07 3.99 1.02 0.13 -4.84 119.74 118.03 1spk s LYS 64 Ca -0.02 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 1spk s LYS 64 Cb 0.01 -0.66 -0.05 0.00 -0.52 0.00 0.00 37.83 36.61 1spk s LYS 64 CO -0.06 0.12 1.05 -0.51 -0.92 0.00 0.00 175.35 175.03 1spk s LEU 65 N -2.30 4.42 1.27 3.17 1.43 -1.26 0.13 118.68 125.53 1spk s LEU 65 Ca 0.04 1.85 -0.18 0.00 -1.03 0.00 0.00 54.13 54.82 1spk s LEU 65 Cb -0.05 -3.58 0.31 0.00 0.03 0.00 0.00 46.19 42.90 1spk s LEU 65 CO 0.01 -0.26 1.00 -0.76 0.23 0.00 0.00 176.35 176.57 1spk s LEU 66 N 0.57 0.03 -0.35 1.79 1.43 -0.71 -4.83 118.68 116.61 1spk s LEU 66 Ca 0.52 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1spk s LEU 66 Cb -0.25 -2.78 0.15 0.00 0.03 0.00 0.00 46.19 43.34 1spk s LEU 66 CO 0.30 -4.62 0.37 -0.44 0.23 0.00 0.00 176.35 172.19 1spk s SER 67 N -3.03 1.12 0.00 2.29 0.01 -1.26 -5.03 113.70 107.80 1spk s SER 67 Ca 0.69 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1spk s SER 67 Cb -0.18 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1spk s SER 67 CO 0.60 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.57 1spk n GLY 68 N 4.57 4.10 3.80 3.44 0.00 -1.26 -5.13 105.19 114.71 1spk n GLY 68 Ca 0.07 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1spk n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1spk s PRO 69 N -3.63 1.60 -0.29 1.61 0.04 -1.26 -5.09 135.00 127.99 1spk s PRO 69 Ca 0.00 0.46 -0.14 0.00 0.04 0.00 0.00 61.00 61.36 1spk s PRO 69 Cb 0.00 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.77 1spk s PRO 69 CO 0.00 -1.91 0.72 0.45 0.04 0.00 0.00 177.00 176.30 1spk s SER 70 N -3.97 -0.95 0.29 6.66 0.15 -1.26 -5.17 113.70 109.45 1spk s SER 70 Ca 0.62 1.42 0.08 0.00 0.70 0.00 0.00 55.95 58.78 1spk s SER 70 Cb -0.15 1.67 -0.06 0.00 -1.71 0.00 0.00 66.02 65.78 1spk s SER 70 CO 0.54 -0.21 -0.10 -0.94 1.20 0.00 0.00 173.24 173.72 1spk s SER 71 N 2.05 3.16 0.00 5.45 1.04 -1.26 -4.48 113.70 119.66 1spk s SER 71 Ca -0.08 -1.15 0.05 0.00 0.48 0.00 0.00 55.95 55.25 1spk s SER 71 Cb -0.07 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 65.85 1spk s SER 71 CO -0.19 -0.22 0.67 0.61 0.98 0.00 0.00 173.24 175.08