#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 -1.58 -0.16 1.61 0.15 -1.26 -2.99 113.70 109.46 1spk s SER 2 Ca 0.00 -0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.43 1spk s SER 2 Cb 0.00 2.01 0.03 0.00 -1.71 0.00 0.00 66.02 66.34 1spk s SER 2 CO 0.00 -0.26 0.13 -0.24 1.20 0.00 0.00 173.24 174.08 1spk n SER 3 N 5.07 -3.88 0.00 5.45 2.88 -1.26 -4.93 113.62 116.95 1spk n SER 3 Ca 0.07 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1spk n SER 3 Cb 0.55 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.75 1spk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1spk n GLY 4 N 1.64 0.51 3.08 0.46 0.00 -1.26 -5.08 105.19 104.54 1spk n GLY 4 Ca -0.22 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 1spk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1spk s SER 5 N -1.04 1.09 0.06 1.61 1.04 -1.26 -4.48 113.70 110.73 1spk s SER 5 Ca 0.00 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.01 1spk s SER 5 Cb 0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1spk s SER 5 CO 0.00 -0.10 -0.17 -0.44 0.98 0.00 0.00 173.24 173.50 1spk s SER 6 N -1.32 2.07 -1.06 7.02 0.01 -1.26 -4.84 113.70 114.32 1spk s SER 6 Ca -0.05 -0.55 -0.13 0.00 1.31 0.00 0.00 55.95 56.53 1spk s SER 6 Cb -0.08 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 1spk s SER 6 CO 0.01 0.05 0.82 0.61 0.41 0.00 0.00 173.24 175.15 1spk n GLY 7 N 1.61 -1.09 3.58 3.44 0.00 -1.26 -4.93 105.19 106.54 1spk n GLY 7 Ca -0.19 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.58 -1.11 -4.86 1.61 1.13 -1.26 -4.62 117.38 104.69 1spk n GLN 8 Ca -0.08 -0.27 -0.31 0.00 -1.94 0.00 0.00 57.00 54.40 1spk n GLN 8 Cb 0.60 -2.26 -0.14 0.00 0.11 0.00 0.00 30.24 28.55 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 -4.46 2.01 0.12 -1.09 1.02 -1.26 -1.64 119.74 114.43 1spk s LYS 9 Ca 0.67 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.71 1spk s LYS 9 Cb -0.23 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1spk s LYS 9 CO 0.61 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.58 1spk s VAL 10 N -0.82 1.31 -0.07 3.17 -7.23 -0.98 -2.60 120.40 113.18 1spk s VAL 10 Ca 0.13 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1spk s VAL 10 Cb -0.10 -1.51 -0.00 0.00 0.56 0.00 0.00 36.38 35.33 1spk s VAL 10 CO 0.03 -0.41 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.45 1spk s LYS 11 N -2.63 2.41 0.08 4.82 2.20 0.10 -1.90 119.74 124.83 1spk s LYS 11 Ca 0.08 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 1spk s LYS 11 Cb -0.05 -1.93 -0.06 0.00 -1.51 0.00 0.00 37.83 34.28 1spk s LYS 11 CO 0.03 0.21 1.10 0.95 -0.36 0.00 0.00 175.35 177.28 1spk s THR 12 N 0.23 4.21 -0.97 3.43 -4.23 -0.93 -0.35 115.64 117.03 1spk s THR 12 Ca -0.12 1.69 0.22 0.00 -1.18 0.00 0.00 61.69 62.30 1spk s THR 12 Cb -0.15 -4.08 -0.18 0.00 1.34 0.00 0.00 72.50 69.43 1spk s THR 12 CO 0.05 0.19 1.00 2.30 -0.54 0.00 0.00 174.62 177.62 1spk n ILE 13 N 3.38 0.00 -3.90 2.99 -5.35 -1.17 -0.01 119.36 115.31 1spk n ILE 13 Ca 0.06 -0.01 -0.11 0.00 -0.27 0.00 0.00 62.75 62.42 1spk n ILE 13 Cb 0.48 0.81 -0.11 0.00 -1.74 0.00 0.00 39.64 39.07 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 -3.01 0.08 0.59 4.28 0.08 -1.26 -4.86 117.98 113.88 1spk s PHE 14 Ca 0.08 -0.18 -0.15 0.00 0.12 0.00 0.00 56.93 56.80 1spk s PHE 14 Cb 0.16 -0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.50 1spk s PHE 14 CO 0.83 -0.20 1.05 -1.25 -0.10 0.00 0.00 175.22 175.55 1spk s PRO 15 N -1.08 3.36 0.28 0.24 0.04 -1.26 -4.53 135.00 132.05 1spk s PRO 15 Ca -0.12 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.02 1spk s PRO 15 Cb -0.07 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1spk s PRO 15 CO 0.00 -0.77 0.39 -1.58 0.04 0.00 0.00 177.00 175.08 1spk s HIS 16 N -2.54 0.89 -0.08 0.56 2.46 -1.13 -4.99 115.29 110.47 1spk s HIS 16 Ca 0.62 -1.15 -0.06 0.00 0.47 0.00 0.00 55.06 54.94 1spk s HIS 16 Cb -0.15 -0.14 0.03 0.00 -0.13 0.00 0.00 32.58 32.19 1spk s HIS 16 CO 0.38 -0.96 0.21 0.99 -2.47 0.00 0.00 174.74 172.88 1spk s THR 17 N -3.64 -0.01 -0.29 0.89 2.01 -1.26 -3.97 115.64 109.36 1spk s THR 17 Ca 0.30 0.04 0.22 0.00 0.31 0.00 0.00 61.69 62.56 1spk s THR 17 Cb 0.01 -0.30 -0.20 0.00 0.01 0.00 0.00 72.50 72.02 1spk s THR 17 CO 0.15 0.01 0.77 0.00 -0.69 0.00 0.00 174.62 174.87 1spk n ALA 18 N 3.26 3.04 -1.31 7.40 0.00 -1.25 -4.78 120.51 126.87 1spk n ALA 18 Ca -0.16 -0.43 -0.46 0.00 0.00 0.00 0.00 53.44 52.39 1spk n ALA 18 Cb 0.57 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 1spk n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1spk n GLY 19 N 1.29 -1.42 4.89 0.00 0.00 -1.26 -1.45 105.19 107.25 1spk n GLY 19 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 1.78 0.00 -4.21 1.61 2.85 -1.26 -4.91 115.26 111.11 1spk n ASN 20 Ca 0.17 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.33 1spk n ASN 20 Cb 0.21 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.41 1spk n ASN 20 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1spk n ASN 21 N 3.99 -2.44 -2.67 1.20 4.13 -0.52 -4.97 115.26 113.99 1spk n ASN 21 Ca 0.00 -0.17 -0.08 0.00 1.68 0.00 0.00 54.58 56.00 1spk n ASN 21 Cb 0.00 -0.94 0.03 0.00 -1.54 0.00 0.00 39.78 37.33 1spk n ASN 21 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1spk n LYS 22 N -2.22 1.57 0.00 3.52 2.85 -1.26 -4.83 118.16 117.79 1spk n LYS 22 Ca 0.01 -3.45 0.00 0.00 -1.05 0.00 0.00 58.31 53.82 1spk n LYS 22 Cb 0.61 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 1spk n LYS 22 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1spk n THR 23 N -0.27 0.00 -1.66 0.58 5.66 -1.26 -5.09 114.28 112.24 1spk n THR 23 Ca 0.12 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.75 1spk n THR 23 Cb 0.81 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.66 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 -1.52 5.29 -4.95 1.09 4.77 -1.26 -0.29 117.00 120.14 1spk n LEU 24 Ca 0.00 0.80 -0.23 0.00 -0.03 0.00 0.00 56.01 56.55 1spk n LEU 24 Cb 0.00 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.56 1spk n LEU 24 CO 0.00 -1.30 -0.07 -0.22 -1.33 0.00 0.00 177.39 174.47 1spk s LEU 25 N -3.74 4.30 -0.18 2.23 2.96 -1.14 -4.48 118.68 118.64 1spk s LEU 25 Ca 0.81 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 54.78 1spk s LEU 25 Cb -0.38 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.44 1spk s LEU 25 CO 0.42 -0.02 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.93 1spk s SER 26 N -3.65 4.34 -0.02 3.68 0.01 -1.26 -3.75 113.70 113.05 1spk s SER 26 Ca 0.34 -0.31 -0.28 0.00 1.31 0.00 0.00 55.95 57.01 1spk s SER 26 Cb -0.10 -1.71 0.10 0.00 0.21 0.00 0.00 66.02 64.52 1spk s SER 26 CO 0.29 0.08 0.83 0.72 0.41 0.00 0.00 173.24 175.56 1spk s PHE 27 N 0.85 -0.44 0.61 2.43 -0.12 -1.26 -4.98 117.98 115.08 1spk s PHE 27 Ca -0.02 0.48 -0.02 0.00 -0.05 0.00 0.00 56.93 57.33 1spk s PHE 27 Cb -0.15 0.50 0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1spk s PHE 27 CO 0.01 -0.56 0.87 0.00 -0.05 0.00 0.00 175.22 175.48 1spk s ALA 28 N -2.46 3.64 -0.20 1.99 0.00 -1.26 -2.84 121.76 120.64 1spk s ALA 28 Ca 0.00 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 1spk s ALA 28 Cb -0.01 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 1spk s ALA 28 CO -0.04 -0.97 1.56 -1.14 0.00 0.00 0.00 175.76 175.17 1spk s GLN 29 N -4.94 3.90 0.00 0.00 0.74 -1.26 -2.30 119.66 115.79 1spk s GLN 29 Ca 0.59 1.71 0.00 0.00 0.05 0.00 0.00 55.36 57.70 1spk s GLN 29 Cb -0.10 -3.99 0.00 0.00 1.10 0.00 0.00 33.01 30.02 1spk s GLN 29 CO 0.41 -1.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.40 1spk n GLY 30 N 4.45 1.07 3.29 2.59 0.00 0.99 -4.99 105.19 112.60 1spk n GLY 30 Ca 0.18 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 0.02 -3.13 -4.46 1.61 9.92 -0.97 -4.30 116.55 115.23 1spk n ASP 31 Ca 0.00 0.67 -0.33 0.00 -0.53 0.00 0.00 54.79 54.60 1spk n ASP 31 Cb 0.00 -0.92 -0.13 0.00 -0.64 0.00 0.00 41.12 39.43 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 -1.94 3.37 0.05 2.53 1.01 -1.26 -2.18 120.40 121.97 1spk s VAL 32 Ca 0.59 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1spk s VAL 32 Cb -0.49 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1spk s VAL 32 CO 0.64 0.54 -0.24 -0.76 0.00 0.00 0.00 175.10 175.28 1spk s LEU 33 N -0.08 2.17 -0.22 3.92 1.43 -0.80 -3.31 118.68 121.80 1spk s LEU 33 Ca -0.01 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 1spk s LEU 33 Cb -0.14 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1spk s LEU 33 CO 0.03 0.21 0.42 -0.89 0.23 0.00 0.00 176.35 176.35 1spk s THR 34 N -0.81 5.17 0.40 5.49 2.01 0.39 -2.31 115.64 125.97 1spk s THR 34 Ca 0.10 0.73 -0.25 0.00 0.31 0.00 0.00 61.69 62.58 1spk s THR 34 Cb -0.09 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 1spk s THR 34 CO 0.02 0.21 1.13 -0.76 -0.69 0.00 0.00 174.62 174.53 1spk s LEU 35 N 1.60 4.18 0.00 4.42 1.02 -0.65 0.20 118.68 129.45 1spk s LEU 35 Ca 0.19 2.25 0.00 0.00 0.02 0.00 0.00 54.13 56.59 1spk s LEU 35 Cb -0.15 -4.06 0.00 0.00 0.02 0.00 0.00 46.19 42.00 1spk s LEU 35 CO 0.09 -0.61 0.00 0.18 0.02 0.00 0.00 176.35 176.02 1spk n LEU 36 N 0.05 1.78 -4.83 1.79 4.77 -1.24 -4.49 117.00 114.83 1spk n LEU 36 Ca 0.04 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 1spk n LEU 36 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1spk n LEU 36 CO 0.49 0.28 0.70 0.27 -1.33 0.00 0.00 177.39 177.81 1spk s ILE 37 N -1.96 4.28 -0.28 -0.08 -4.36 -1.26 -4.95 121.20 112.58 1spk s ILE 37 Ca 0.00 0.95 0.27 0.00 -0.26 0.00 0.00 60.65 61.62 1spk s ILE 37 Cb 0.00 -3.60 0.34 0.00 1.25 0.00 0.00 42.46 40.45 1spk s ILE 37 CO 0.00 -0.76 1.79 1.55 0.24 0.00 0.00 174.94 177.76 1spk h PRO 38 N 0.26 0.00 -1.34 0.37 0.13 -1.97 -3.47 132.00 125.98 1spk h PRO 38 Ca -0.46 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.02 1spk h PRO 38 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1spk h PRO 38 CO 0.60 0.00 0.88 -1.83 -0.23 0.00 0.00 178.00 177.42 1spk s GLU 39 N -3.38 0.28 1.02 0.86 1.03 -1.26 -5.16 118.70 112.09 1spk s GLU 39 Ca 0.05 -0.16 -0.13 0.00 0.03 0.00 0.00 54.97 54.76 1spk s GLU 39 Cb 0.08 0.09 0.12 0.00 -0.80 0.00 0.00 34.13 33.62 1spk s GLU 39 CO 0.58 -0.13 0.59 -0.85 -1.33 0.00 0.00 175.26 174.12 1spk n GLU 40 N -0.51 -0.97 -0.08 -4.83 0.00 -1.26 -4.82 120.64 108.18 1spk n GLU 40 Ca -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 57.16 56.84 1spk n GLU 40 Cb 0.63 -2.00 0.01 0.00 0.00 0.00 0.00 31.44 30.09 1spk n GLU 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1spk n LYS 41 N -2.91 0.99 0.00 3.44 4.81 -1.03 -4.82 118.16 118.64 1spk n LYS 41 Ca 0.06 -1.05 0.00 0.00 -0.87 0.00 0.00 58.31 56.45 1spk n LYS 41 Cb 0.55 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.87 1spk n LYS 41 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1spk n ASP 42 N -0.27 0.00 0.00 3.14 2.03 -1.26 -4.91 116.55 115.27 1spk n ASP 42 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1spk n ASP 42 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1spk n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1spk n GLY 43 N 0.00 1.54 3.42 0.27 0.00 -1.26 -4.98 105.19 104.17 1spk n GLY 43 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.49 2.42 0.09 1.61 0.52 -1.26 -3.60 118.94 115.22 1spk s TRP 44 Ca 0.00 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 55.83 1spk s TRP 44 Cb 0.00 -1.35 -0.04 0.00 -1.15 0.00 0.00 33.47 30.93 1spk s TRP 44 CO 0.00 0.28 -0.00 -0.51 0.02 0.00 0.00 176.95 176.73 1spk s LEU 45 N -1.75 3.45 0.32 2.99 1.43 0.86 -2.47 118.68 123.50 1spk s LEU 45 Ca 0.14 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1spk s LEU 45 Cb -0.10 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1spk s LEU 45 CO 0.06 0.17 0.25 -0.47 0.23 0.00 0.00 176.35 176.59 1spk s TYR 46 N -1.31 2.92 -0.41 0.29 5.04 -1.26 -2.27 117.35 120.35 1spk s TYR 46 Ca 0.26 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 1spk s TYR 46 Cb -0.12 -1.68 0.00 0.00 0.35 0.00 0.00 41.96 40.51 1spk s TYR 46 CO 0.18 0.28 0.00 0.41 -1.34 0.00 0.00 175.55 175.08 1spk n GLY 47 N -1.30 -1.25 3.53 8.97 0.00 -1.24 -3.59 105.19 110.31 1spk n GLY 47 Ca -0.03 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.94 1.93 -0.03 1.61 2.12 0.53 -3.23 118.70 120.68 1spk s GLU 48 Ca 0.00 -1.25 -0.16 0.00 0.36 0.00 0.00 54.97 53.92 1spk s GLU 48 Cb 0.00 -2.12 -0.05 0.00 0.26 0.00 0.00 34.13 32.21 1spk s GLU 48 CO 0.00 0.45 0.42 -1.58 -0.54 0.00 0.00 175.26 174.01 1spk s HIS 49 N -1.50 3.68 -0.29 5.30 5.65 -0.37 -0.46 115.29 127.29 1spk s HIS 49 Ca 0.22 0.97 -0.03 0.00 0.25 0.00 0.00 55.06 56.47 1spk s HIS 49 Cb -0.09 -2.35 0.07 0.00 -1.18 0.00 0.00 32.58 29.03 1spk s HIS 49 CO 0.13 0.53 2.52 -3.47 -0.65 0.00 0.00 174.74 173.80 1spk n ASP 50 N 2.24 6.20 0.00 9.88 2.03 -1.21 -2.88 116.55 132.81 1spk n ASP 50 Ca -0.12 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.21 1spk n ASP 50 Cb 0.52 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 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 0.95 0.00 0.26 5.18 -1.04 -1.26 -4.92 114.28 113.46 1spk n THR 51 Ca 0.36 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.51 1spk n THR 51 Cb 0.61 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.84 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 0.43 0.00 12.58 1.35 -1.94 -3.45 112.91 121.88 1spk h THR 52 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 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 0.11 0.00 0.29 -0.25 0.00 0.00 175.52 175.67 1spk n LYS 53 N -3.46 -0.06 -3.61 4.72 4.01 -1.14 -4.99 118.16 113.63 1spk n LYS 53 Ca -0.01 0.01 -0.22 0.00 -0.51 0.00 0.00 58.31 57.58 1spk n LYS 53 Cb 0.27 -2.92 -0.01 0.00 -0.51 0.00 0.00 35.03 31.86 1spk n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1spk s ALA 54 N -3.22 3.84 -0.05 7.82 0.00 -1.26 -4.76 121.76 124.13 1spk s ALA 54 Ca 0.00 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1spk s ALA 54 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 1spk s ALA 54 CO 0.00 0.06 -0.21 1.03 0.00 0.00 0.00 175.76 176.64 1spk s ARG 55 N -4.18 2.52 0.04 0.00 0.52 -1.26 -1.24 118.95 115.35 1spk s ARG 55 Ca 0.38 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 1spk s ARG 55 Cb -0.09 -2.24 -0.00 0.00 0.52 0.00 0.00 34.95 33.13 1spk s ARG 55 CO 0.33 0.47 0.02 0.41 0.02 0.00 0.00 175.30 176.55 1spk n GLY 56 N 2.71 4.00 3.49 -3.53 0.00 -1.20 -4.99 105.19 105.68 1spk n GLY 56 Ca -0.17 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.79 2.90 0.02 1.61 0.52 0.60 -3.73 118.94 119.07 1spk s TRP 57 Ca 0.02 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 55.84 1spk s TRP 57 Cb 0.00 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1spk s TRP 57 CO 0.02 0.07 0.07 -0.59 0.02 0.00 0.00 176.95 176.54 1spk s PHE 58 N -0.18 0.17 -0.06 -1.98 -0.12 -0.96 -2.87 117.98 111.98 1spk s PHE 58 Ca 0.02 -0.39 -0.30 0.00 -0.05 0.00 0.00 56.93 56.20 1spk s PHE 58 Cb -0.13 -0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 1spk s PHE 58 CO 0.03 -0.29 1.23 -1.25 -0.05 0.00 0.00 175.22 174.89 1spk s PRO 59 N -1.87 4.34 0.61 1.99 0.04 -1.26 -0.10 135.00 138.75 1spk s PRO 59 Ca -0.11 1.70 0.28 0.00 0.04 0.00 0.00 61.00 62.90 1spk s PRO 59 Cb -0.06 -3.57 1.35 0.00 0.04 0.00 0.00 34.50 32.26 1spk s PRO 59 CO -0.01 -0.48 1.76 0.66 0.04 0.00 0.00 177.00 178.97 1spk h SER 60 N 7.55 0.00 0.49 6.66 4.64 -1.86 1.53 113.55 132.56 1spk h SER 60 Ca -0.34 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.87 1spk h SER 60 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1spk h SER 60 CO 0.89 0.00 -0.53 0.28 -0.87 0.00 0.00 176.83 176.60 1spk h SER 61 N 0.00 0.04 -0.17 4.97 0.02 -1.90 -2.27 113.55 114.24 1spk h SER 61 Ca 0.23 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1spk h SER 61 Cb 1.45 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1spk h SER 61 CO -0.00 0.56 0.00 -1.22 -1.14 0.00 0.00 176.83 175.03 1spk n TYR 62 N -3.92 0.23 -3.88 3.45 4.02 0.52 -4.81 117.16 112.78 1spk n TYR 62 Ca -0.01 -0.12 -0.10 0.00 -0.01 0.00 0.00 57.90 57.65 1spk n TYR 62 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.77 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 -1.77 0.11 0.08 -0.72 -4.23 -0.85 -3.05 115.64 105.20 1spk s THR 63 Ca 0.13 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 1spk s THR 63 Cb 0.07 -0.72 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 1spk s THR 63 CO 0.09 -0.48 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.02 1spk s LYS 64 N -2.11 0.84 0.03 3.99 1.02 0.52 -4.84 119.74 119.20 1spk s LYS 64 Ca -0.09 -1.02 -0.30 0.00 0.02 0.00 0.00 55.97 54.58 1spk s LYS 64 Cb -0.04 -0.77 -0.04 0.00 -0.52 0.00 0.00 37.83 36.46 1spk s LYS 64 CO -0.02 0.16 1.03 -0.51 -0.92 0.00 0.00 175.35 175.09 1spk s LEU 65 N -1.94 4.39 1.09 3.17 1.43 -1.26 0.01 118.68 125.57 1spk s LEU 65 Ca 0.00 1.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.73 1spk s LEU 65 Cb -0.08 -3.57 0.24 0.00 0.03 0.00 0.00 46.19 42.80 1spk s LEU 65 CO 0.02 -0.28 1.07 -0.76 0.23 0.00 0.00 176.35 176.62 1spk s LEU 66 N 0.88 1.15 -0.34 1.79 1.43 -1.07 -4.90 118.68 117.61 1spk s LEU 66 Ca 0.53 1.23 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 1spk s LEU 66 Cb -0.23 -3.26 0.12 0.00 0.03 0.00 0.00 46.19 42.85 1spk s LEU 66 CO 0.29 -3.66 0.16 -0.44 0.23 0.00 0.00 176.35 172.93 1spk s SER 67 N -3.15 3.62 0.20 2.29 0.01 -1.26 -5.03 113.70 110.38 1spk s SER 67 Ca 0.67 -1.92 0.10 0.00 1.31 0.00 0.00 55.95 56.11 1spk s SER 67 Cb -0.20 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 1spk s SER 67 CO 0.60 -0.36 -0.14 -0.83 0.41 0.00 0.00 173.24 172.92 1spk s GLY 68 N 1.30 1.73 0.62 3.44 0.00 -1.26 -5.13 107.32 108.03 1spk s GLY 68 Ca 0.13 -1.56 -0.14 0.00 0.00 0.00 0.00 44.72 43.15 1spk s GLY 68 CO -0.16 -1.59 1.05 2.56 0.00 0.00 0.00 173.10 174.96 1spk s PRO 69 N -2.89 3.23 -0.14 2.90 0.04 -1.26 -5.04 135.00 131.84 1spk s PRO 69 Ca 0.24 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1spk s PRO 69 Cb -0.08 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1spk s PRO 69 CO 0.14 -0.87 0.23 0.45 0.04 0.00 0.00 177.00 176.99 1spk s SER 70 N -3.17 6.42 0.07 6.66 0.15 -1.26 -4.79 113.70 117.78 1spk s SER 70 Ca 0.61 0.49 -0.24 0.00 0.70 0.00 0.00 55.95 57.51 1spk s SER 70 Cb -0.15 -2.14 -0.11 0.00 -1.71 0.00 0.00 66.02 61.91 1spk s SER 70 CO 0.43 0.22 1.39 0.28 1.20 0.00 0.00 173.24 176.76 1spk h SER 71 N 6.00 -1.05 0.00 5.45 0.02 -1.97 -3.48 113.55 118.52 1spk h SER 71 Ca -0.46 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1spk h SER 71 Cb 1.18 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.10 1spk h SER 71 CO 0.70 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 176.57