#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 0.12 0.10 1.61 0.15 -1.26 -5.16 113.70 109.26 1spk s SER 2 Ca 0.00 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.39 1spk s SER 2 Cb 0.00 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 1spk s SER 2 CO 0.00 -0.31 -0.07 -0.44 1.20 0.00 0.00 173.24 173.63 1spk s SER 3 N -1.30 4.59 0.00 5.45 0.01 -1.26 -4.98 113.70 116.22 1spk s SER 3 Ca -0.14 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1spk s SER 3 Cb -0.08 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1spk s SER 3 CO 0.00 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1spk n GLY 4 N 0.67 -3.68 3.06 3.44 0.00 -1.26 -5.09 105.19 102.33 1spk n GLY 4 Ca -0.13 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 1spk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1spk s SER 5 N -0.02 1.14 0.32 1.61 0.01 -1.26 -5.16 113.70 110.35 1spk s SER 5 Ca 0.00 -0.32 0.10 0.00 1.31 0.00 0.00 55.95 57.04 1spk s SER 5 Cb 0.00 -0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.09 1spk s SER 5 CO 0.00 0.02 -0.10 -0.44 0.41 0.00 0.00 173.24 173.13 1spk s SER 6 N -0.75 3.82 0.00 2.44 0.01 -1.26 -4.89 113.70 113.08 1spk s SER 6 Ca 0.00 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1spk s SER 6 Cb -0.06 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1spk s SER 6 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1spk n GLY 7 N -0.78 0.57 3.32 3.44 0.00 -1.26 -5.09 105.19 105.38 1spk n GLY 7 Ca -0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.82 -4.83 1.61 1.13 -1.26 -4.36 117.38 107.85 1spk n GLN 8 Ca 0.00 -0.51 -0.31 0.00 -1.94 0.00 0.00 57.00 54.24 1spk n GLN 8 Cb 0.00 -1.81 -0.14 0.00 0.11 0.00 0.00 30.24 28.40 1spk n GLN 8 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1spk s LYS 9 N -3.66 1.98 0.14 -1.09 1.02 -1.26 -0.91 119.74 115.96 1spk s LYS 9 Ca 0.59 -1.02 0.07 0.00 0.02 0.00 0.00 55.97 55.63 1spk s LYS 9 Cb -0.15 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1spk s LYS 9 CO 0.66 0.53 -0.16 0.14 -0.92 0.00 0.00 175.35 175.60 1spk s VAL 10 N -0.84 1.58 -0.07 3.17 -7.23 -0.73 -0.84 120.40 115.43 1spk s VAL 10 Ca 0.13 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1spk s VAL 10 Cb -0.10 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1spk s VAL 10 CO 0.03 -0.35 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.53 1spk s LYS 11 N -2.69 2.36 -0.03 4.82 2.20 0.50 -1.88 119.74 125.02 1spk s LYS 11 Ca 0.12 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1spk s LYS 11 Cb -0.06 -1.89 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 1spk s LYS 11 CO 0.05 0.18 1.04 0.95 -0.36 0.00 0.00 175.35 177.20 1spk s THR 12 N 0.31 4.68 -2.23 3.43 -4.23 -1.03 0.33 115.64 116.90 1spk s THR 12 Ca -0.13 1.94 0.22 0.00 -1.18 0.00 0.00 61.69 62.54 1spk s THR 12 Cb -0.16 -4.24 0.04 0.00 1.34 0.00 0.00 72.50 69.48 1spk s THR 12 CO 0.06 0.09 1.11 2.30 -0.54 0.00 0.00 174.62 177.63 1spk n ILE 13 N 4.20 0.00 -3.86 2.99 -5.35 -1.19 -0.01 119.36 116.13 1spk n ILE 13 Ca 0.08 -0.33 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 1spk n ILE 13 Cb 0.49 1.31 -0.10 0.00 -1.74 0.00 0.00 39.64 39.60 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 -2.29 0.01 0.31 4.28 0.08 -1.26 -4.91 117.98 114.20 1spk s PHE 14 Ca 0.20 -0.05 -0.28 0.00 0.12 0.00 0.00 56.93 56.93 1spk s PHE 14 Cb 0.18 -0.03 -0.09 0.00 -0.57 0.00 0.00 43.02 42.51 1spk s PHE 14 CO 0.48 -0.26 1.07 -1.25 -0.10 0.00 0.00 175.22 175.17 1spk s PRO 15 N -1.17 4.53 -0.29 0.24 0.04 -1.26 -4.05 135.00 133.04 1spk s PRO 15 Ca -0.13 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1spk s PRO 15 Cb -0.07 -3.03 0.18 0.00 0.04 0.00 0.00 34.50 31.63 1spk s PRO 15 CO 0.01 0.14 0.55 -1.58 0.04 0.00 0.00 177.00 176.17 1spk s HIS 16 N -1.29 -1.45 -0.03 0.56 2.46 -1.16 -4.96 115.29 109.41 1spk s HIS 16 Ca 0.48 1.53 0.01 0.00 0.47 0.00 0.00 55.06 57.55 1spk s HIS 16 Cb -0.29 0.45 -0.03 0.00 -0.13 0.00 0.00 32.58 32.58 1spk s HIS 16 CO 0.37 -0.85 -0.03 0.99 -2.47 0.00 0.00 174.74 172.75 1spk s THR 17 N 2.80 3.98 -1.01 0.89 2.01 -1.26 -2.51 115.64 120.53 1spk s THR 17 Ca 0.19 -0.55 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 1spk s THR 17 Cb -0.15 -2.72 0.03 0.00 0.01 0.00 0.00 72.50 69.67 1spk s THR 17 CO -0.20 0.47 1.57 0.00 -0.69 0.00 0.00 174.62 175.77 1spk s ALA 18 N -0.97 2.52 -0.56 7.40 0.00 -1.19 -4.94 121.76 124.01 1spk s ALA 18 Ca 0.16 -2.14 -0.25 0.00 0.00 0.00 0.00 51.96 49.73 1spk s ALA 18 Cb -0.11 -4.54 0.04 0.00 0.00 0.00 0.00 23.12 18.51 1spk s ALA 18 CO 0.06 -3.86 0.98 0.20 0.00 0.00 0.00 175.76 173.14 1spk s GLY 19 N 5.57 1.36 0.00 0.00 0.00 -1.26 -4.41 107.32 108.58 1spk s GLY 19 Ca 0.52 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1spk s GLY 19 CO -0.07 2.12 0.00 -2.01 0.00 0.00 0.00 173.10 173.14 1spk n ASN 20 N 7.63 0.00 -4.38 1.64 5.15 -1.26 -4.93 115.26 119.12 1spk n ASN 20 Ca 0.02 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.68 1spk n ASN 20 Cb 0.48 0.00 0.16 0.00 -0.53 0.00 0.00 39.78 39.88 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 3.87 -2.04 0.03 1.20 3.02 -1.26 -4.98 115.26 115.08 1spk n ASN 21 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1spk n ASN 21 Cb 0.00 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.05 1spk n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1spk n LYS 22 N -2.28 0.00 -0.38 3.52 4.76 -1.26 -4.78 118.16 117.73 1spk n LYS 22 Ca 0.04 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.47 1spk n LYS 22 Cb 0.57 -0.48 0.04 0.00 -1.84 0.00 0.00 35.03 33.32 1spk n LYS 22 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1spk n THR 23 N -3.23 -0.52 -1.68 -0.18 5.66 -1.26 -4.36 114.28 108.71 1spk n THR 23 Ca 0.00 2.31 -0.44 0.00 -3.05 0.00 0.00 64.05 62.87 1spk n THR 23 Cb 0.25 -3.04 -0.02 0.00 -1.55 0.00 0.00 70.33 65.97 1spk n THR 23 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1spk n LEU 24 N -5.45 3.24 0.00 1.09 4.77 -1.26 -0.20 117.00 119.19 1spk n LEU 24 Ca 0.10 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 57.00 1spk n LEU 24 Cb 0.39 -1.45 0.17 0.00 -2.33 0.00 0.00 43.42 40.21 1spk n LEU 24 CO -0.13 -0.50 0.68 -0.11 -1.33 0.00 0.00 177.39 176.00 1spk n LEU 25 N 1.70 0.00 -3.74 2.23 -0.00 -0.97 -4.56 117.00 111.66 1spk n LEU 25 Ca 0.09 -1.15 -0.20 0.00 -0.00 0.00 0.00 56.01 54.75 1spk n LEU 25 Cb 0.33 -0.82 -0.17 0.00 -0.00 0.00 0.00 43.42 42.75 1spk n LEU 25 CO 0.62 -1.37 -0.36 -0.94 -0.00 0.00 0.00 177.39 175.34 1spk s SER 26 N -4.80 1.15 0.28 1.96 1.04 -1.26 -3.20 113.70 108.87 1spk s SER 26 Ca 0.61 -0.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.82 1spk s SER 26 Cb -0.02 -0.27 0.02 0.00 0.10 0.00 0.00 66.02 65.85 1spk s SER 26 CO 0.43 -0.20 0.72 0.72 0.98 0.00 0.00 173.24 175.89 1spk s PHE 27 N 1.86 -0.20 0.04 5.02 -0.12 -1.05 -4.98 117.98 118.55 1spk s PHE 27 Ca 0.02 -0.25 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 1spk s PHE 27 Cb -0.12 0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 42.95 1spk s PHE 27 CO -0.04 -1.23 -0.21 0.00 -0.05 0.00 0.00 175.22 173.69 1spk s ALA 28 N -3.91 1.81 -0.49 1.99 0.00 -1.26 -3.01 121.76 116.89 1spk s ALA 28 Ca 0.11 -1.07 -0.45 0.00 0.00 0.00 0.00 51.96 50.54 1spk s ALA 28 Cb -0.06 -0.36 -0.19 0.00 0.00 0.00 0.00 23.12 22.50 1spk s ALA 28 CO 0.06 0.41 1.64 0.94 0.00 0.00 0.00 175.76 178.82 1spk n GLN 29 N 1.89 0.00 0.00 0.00 7.27 -1.26 0.15 117.38 125.43 1spk n GLN 29 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 1spk n GLN 29 Cb 0.53 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.72 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 4.41 2.44 3.43 1.69 0.00 0.98 -4.98 105.19 113.16 1spk n GLY 30 Ca 0.34 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 0.15 -1.58 -4.34 1.61 9.92 0.12 -4.58 116.55 117.86 1spk n ASP 31 Ca 0.00 0.59 -0.32 0.00 -0.53 0.00 0.00 54.79 54.53 1spk n ASP 31 Cb 0.00 -1.16 -0.15 0.00 -0.64 0.00 0.00 41.12 39.16 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 -1.90 2.56 0.01 2.53 1.01 -1.26 -2.47 120.40 120.87 1spk s VAL 32 Ca 0.64 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1spk s VAL 32 Cb -0.36 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1spk s VAL 32 CO 0.59 0.56 -0.24 -0.76 0.00 0.00 0.00 175.10 175.26 1spk s LEU 33 N -0.09 2.11 -0.22 3.92 1.43 -0.78 -3.29 118.68 121.76 1spk s LEU 33 Ca -0.04 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 1spk s LEU 33 Cb -0.14 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1spk s LEU 33 CO 0.04 0.25 0.41 -0.89 0.23 0.00 0.00 176.35 176.39 1spk s THR 34 N -0.68 5.18 0.51 5.49 2.01 0.98 -1.78 115.64 127.35 1spk s THR 34 Ca 0.10 0.71 -0.21 0.00 0.31 0.00 0.00 61.69 62.60 1spk s THR 34 Cb -0.09 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 1spk s THR 34 CO 0.01 0.21 1.13 -0.76 -0.69 0.00 0.00 174.62 174.52 1spk s LEU 35 N 1.57 3.84 -0.04 4.42 1.02 -0.09 0.20 118.68 129.61 1spk s LEU 35 Ca 0.19 2.19 -0.01 0.00 0.02 0.00 0.00 54.13 56.52 1spk s LEU 35 Cb -0.15 -4.47 -0.02 0.00 0.02 0.00 0.00 46.19 41.57 1spk s LEU 35 CO 0.08 -1.08 -0.04 0.18 0.02 0.00 0.00 176.35 175.51 1spk n LEU 36 N -1.01 1.79 -4.66 1.79 4.77 -1.23 -4.42 117.00 114.03 1spk n LEU 36 Ca 0.10 0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.74 1spk n LEU 36 Cb 0.50 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 1spk n LEU 36 CO 0.44 0.35 -0.30 0.27 -1.33 0.00 0.00 177.39 176.82 1spk s ILE 37 N -2.07 4.41 -0.56 -0.08 -4.36 -1.26 -4.84 121.20 112.43 1spk s ILE 37 Ca -0.05 -0.20 0.25 0.00 -0.26 0.00 0.00 60.65 60.39 1spk s ILE 37 Cb 0.02 -2.89 0.28 0.00 1.25 0.00 0.00 42.46 41.11 1spk s ILE 37 CO 0.08 0.57 1.75 1.55 0.24 0.00 0.00 174.94 179.13 1spk h PRO 38 N 5.61 0.00 -7.01 0.37 0.13 -1.96 -3.45 132.00 125.70 1spk h PRO 38 Ca -0.46 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.21 1spk h PRO 38 Cb 1.19 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.39 1spk h PRO 38 CO 0.58 0.00 0.06 -2.00 -0.23 0.00 0.00 178.00 176.41 1spk s GLU 39 N -3.23 1.92 0.01 0.86 2.56 -1.26 -5.12 118.70 114.44 1spk s GLU 39 Ca 0.07 -1.09 0.05 0.00 0.00 0.00 0.00 54.97 54.01 1spk s GLU 39 Cb 0.10 -2.39 -0.02 0.00 2.00 0.00 0.00 34.13 33.83 1spk s GLU 39 CO 0.51 -1.24 -0.16 -1.83 -0.56 0.00 0.00 175.26 171.97 1spk s GLU 40 N -5.02 1.22 -1.49 4.30 1.03 -1.26 -4.67 118.70 112.80 1spk s GLU 40 Ca 0.64 -0.68 -0.13 0.00 0.03 0.00 0.00 54.97 54.84 1spk s GLU 40 Cb -0.06 -1.22 0.01 0.00 -0.80 0.00 0.00 34.13 32.06 1spk s GLU 40 CO 0.43 0.32 2.41 1.17 -1.33 0.00 0.00 175.26 178.25 1spk n LYS 41 N 2.35 3.14 -3.34 -4.83 4.81 0.50 -4.41 118.16 116.39 1spk n LYS 41 Ca -0.16 -2.56 -0.18 0.00 -0.87 0.00 0.00 58.31 54.55 1spk n LYS 41 Cb 0.54 -3.13 0.06 0.00 0.02 0.00 0.00 35.03 32.52 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 5.26 -6.44 0.00 3.14 8.00 -1.26 -2.54 116.55 122.72 1spk n ASP 42 Ca 0.59 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1spk n ASP 42 Cb 0.34 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.66 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 -1.37 2.74 3.80 0.44 0.00 -1.26 -5.02 105.19 104.52 1spk n GLY 43 Ca -0.07 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.78 3.01 0.06 1.61 0.52 -1.05 -2.13 118.94 120.17 1spk s TRP 44 Ca 0.00 1.51 0.03 0.00 0.02 0.00 0.00 56.10 57.66 1spk s TRP 44 Cb 0.00 -3.00 -0.03 0.00 -1.15 0.00 0.00 33.47 29.30 1spk s TRP 44 CO 0.00 -1.08 -0.10 -0.51 0.02 0.00 0.00 176.95 175.28 1spk s LEU 45 N -4.49 2.28 0.25 2.99 1.43 0.11 0.19 118.68 121.44 1spk s LEU 45 Ca 0.63 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1spk s LEU 45 Cb -0.16 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1spk s LEU 45 CO 0.37 -0.17 0.18 -0.47 0.23 0.00 0.00 176.35 176.48 1spk s TYR 46 N -1.45 3.07 -0.01 0.29 5.04 -1.26 -2.35 117.35 120.67 1spk s TYR 46 Ca -0.06 -0.12 -0.07 0.00 -2.44 0.00 0.00 57.07 54.38 1spk s TYR 46 Cb -0.09 -1.38 0.02 0.00 0.35 0.00 0.00 41.96 40.86 1spk s TYR 46 CO 0.01 0.53 0.32 0.41 -1.34 0.00 0.00 175.55 175.48 1spk n GLY 47 N -1.13 0.45 3.24 8.97 0.00 -1.25 -3.49 105.19 111.98 1spk n GLY 47 Ca -0.08 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 1spk n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1spk s GLU 48 N -2.00 1.63 0.20 1.61 2.12 0.55 -3.47 118.70 119.34 1spk s GLU 48 Ca 0.08 -0.83 -0.28 0.00 0.36 0.00 0.00 54.97 54.30 1spk s GLU 48 Cb -0.00 -1.63 -0.08 0.00 0.26 0.00 0.00 34.13 32.67 1spk s GLU 48 CO -0.00 0.44 0.87 -1.58 -0.54 0.00 0.00 175.26 174.45 1spk s HIS 49 N -0.60 3.95 -0.34 5.30 5.65 -0.24 -0.01 115.29 129.00 1spk s HIS 49 Ca 0.08 1.79 -0.02 0.00 0.25 0.00 0.00 55.06 57.17 1spk s HIS 49 Cb -0.08 -2.89 0.15 0.00 -1.18 0.00 0.00 32.58 28.57 1spk s HIS 49 CO 0.00 0.48 2.29 -3.47 -0.65 0.00 0.00 174.74 173.39 1spk n ASP 50 N 1.58 6.41 0.00 9.88 -0.08 -1.21 -2.96 116.55 130.17 1spk n ASP 50 Ca -0.03 -3.07 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 1spk n ASP 50 Cb 0.48 -1.12 0.00 0.00 2.34 0.00 0.00 41.12 42.82 1spk n ASP 50 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1spk n THR 51 N 0.60 0.00 0.28 5.18 -1.04 -1.26 -4.91 114.28 113.14 1spk n THR 51 Ca 0.35 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.53 1spk n THR 51 Cb 0.58 0.00 0.78 0.00 -1.82 0.00 0.00 70.33 69.88 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 0.12 0.00 12.58 1.35 -1.94 -3.45 112.91 121.56 1spk h THR 52 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1spk h THR 52 Cb 0.00 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1spk h THR 52 CO 0.00 0.03 0.00 0.29 -0.25 0.00 0.00 175.52 175.59 1spk n LYS 53 N -3.18 -0.34 -3.09 4.72 4.76 -1.15 -4.98 118.16 114.89 1spk n LYS 53 Ca -0.00 0.09 -0.20 0.00 -2.87 0.00 0.00 58.31 55.32 1spk n LYS 53 Cb 0.26 -3.45 0.01 0.00 -1.84 0.00 0.00 35.03 30.01 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 -2.31 4.15 -0.04 7.82 0.00 -1.26 -4.80 121.76 125.32 1spk s ALA 54 Ca 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 51.96 50.61 1spk s ALA 54 Cb 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 1spk s ALA 54 CO 0.00 -0.30 -0.20 1.03 0.00 0.00 0.00 175.76 176.29 1spk s ARG 55 N -4.41 1.96 0.15 0.00 0.52 -1.26 -1.08 118.95 114.84 1spk s ARG 55 Ca 0.51 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 1spk s ARG 55 Cb -0.10 -1.73 -0.01 0.00 0.52 0.00 0.00 34.95 33.63 1spk s ARG 55 CO 0.34 0.33 0.08 0.41 0.02 0.00 0.00 175.30 176.48 1spk n GLY 56 N 2.96 3.69 3.47 -3.53 0.00 -1.23 -4.88 105.19 105.67 1spk n GLY 56 Ca -0.17 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.30 2.88 0.04 1.61 0.52 0.72 -3.82 118.94 118.60 1spk s TRP 57 Ca 0.11 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 55.87 1spk s TRP 57 Cb 0.01 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1spk s TRP 57 CO 0.08 0.03 0.08 -0.59 0.02 0.00 0.00 176.95 176.57 1spk s PHE 58 N -0.09 0.23 -0.05 -1.98 -0.12 -0.99 -2.30 117.98 112.68 1spk s PHE 58 Ca -0.00 -0.55 -0.30 0.00 -0.05 0.00 0.00 56.93 56.03 1spk s PHE 58 Cb -0.13 -0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 1spk s PHE 58 CO 0.03 -0.36 1.22 -1.25 -0.05 0.00 0.00 175.22 174.81 1spk s PRO 59 N -2.69 4.35 0.61 1.99 0.04 -1.26 0.07 135.00 138.11 1spk s PRO 59 Ca -0.04 1.71 0.28 0.00 0.04 0.00 0.00 61.00 62.98 1spk s PRO 59 Cb -0.01 -3.55 1.42 0.00 0.04 0.00 0.00 34.50 32.40 1spk s PRO 59 CO -0.05 -0.45 1.83 0.66 0.04 0.00 0.00 177.00 179.02 1spk h SER 60 N 7.47 0.00 0.69 6.66 4.64 -1.72 1.38 113.55 132.67 1spk h SER 60 Ca -0.35 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.89 1spk h SER 60 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1spk h SER 60 CO 0.88 0.00 -0.40 0.28 -0.87 0.00 0.00 176.83 176.72 1spk h SER 61 N 0.00 0.00 -0.29 4.97 0.02 -1.90 -2.23 113.55 114.12 1spk h SER 61 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1spk h SER 61 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1spk h SER 61 CO -0.00 0.40 0.00 -1.22 -1.14 0.00 0.00 176.83 174.87 1spk n TYR 62 N -3.68 0.39 -3.87 3.45 4.02 0.47 -4.84 117.16 113.09 1spk n TYR 62 Ca -0.01 -0.19 -0.11 0.00 -0.01 0.00 0.00 57.90 57.58 1spk n TYR 62 Cb 0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.72 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 -1.61 0.10 0.06 -0.72 -4.23 -0.84 -3.18 115.64 105.22 1spk s THR 63 Ca 0.22 -0.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1spk s THR 63 Cb 0.11 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.29 1spk s THR 63 CO 0.15 -0.44 -0.11 -1.59 -0.54 0.00 0.00 174.62 172.09 1spk s LYS 64 N -1.89 0.69 0.15 3.99 -2.85 0.15 -4.83 119.74 115.16 1spk s LYS 64 Ca -0.11 -0.88 -0.31 0.00 -1.00 0.00 0.00 55.97 53.67 1spk s LYS 64 Cb -0.05 -0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 35.07 1spk s LYS 64 CO -0.01 0.11 1.45 -0.51 0.10 0.00 0.00 175.35 176.50 1spk s LEU 65 N -1.73 4.38 1.18 2.77 1.43 -1.26 0.19 118.68 125.63 1spk s LEU 65 Ca -0.05 2.47 -0.17 0.00 -1.03 0.00 0.00 54.13 55.35 1spk s LEU 65 Cb -0.09 -3.59 0.22 0.00 0.03 0.00 0.00 46.19 42.75 1spk s LEU 65 CO 0.01 -0.71 0.50 0.18 0.23 0.00 0.00 176.35 176.57 1spk n LEU 66 N 3.69 -1.96 -3.22 1.79 4.77 -0.02 -4.79 117.00 117.25 1spk n LEU 66 Ca 0.11 -0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 55.82 1spk n LEU 66 Cb 0.41 -1.06 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 1spk n LEU 66 CO 0.60 -3.35 0.02 -0.44 -1.33 0.00 0.00 177.39 172.89 1spk s SER 67 N -2.17 -0.75 0.13 -1.43 0.01 -1.26 -5.02 113.70 103.20 1spk s SER 67 Ca 0.61 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1spk s SER 67 Cb -0.17 1.62 0.00 0.00 0.21 0.00 0.00 66.02 67.68 1spk s SER 67 CO 0.63 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1spk n GLY 68 N 5.22 0.58 3.76 3.44 0.00 -1.26 -5.10 105.19 111.84 1spk n GLY 68 Ca 0.04 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 0.50 -0.44 -0.18 1.61 0.04 -1.26 -5.06 135.00 130.21 1spk s PRO 69 Ca 0.00 -0.30 0.01 0.00 0.04 0.00 0.00 61.00 60.75 1spk s PRO 69 Cb 0.00 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.86 1spk s PRO 69 CO 0.00 -3.15 -0.15 -1.12 0.04 0.00 0.00 177.00 172.62 1spk s SER 70 N -4.44 3.14 0.61 6.66 0.01 -1.26 -5.04 113.70 113.39 1spk s SER 70 Ca 0.73 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1spk s SER 70 Cb -0.06 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1spk s SER 70 CO 0.55 -0.07 0.00 -1.20 0.41 0.00 0.00 173.24 172.92 1spk n SER 71 N 4.68 -8.28 0.00 2.44 7.64 -1.26 -5.37 113.62 113.47 1spk n SER 71 Ca -0.17 1.73 0.00 0.00 1.01 0.00 0.00 58.87 61.43 1spk n SER 71 Cb 0.48 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.55 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64