#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 1.40 -0.33 1.61 1.04 -1.26 -4.92 113.70 111.24 1spk s SER 2 Ca 0.00 -0.25 -0.24 0.00 0.48 0.00 0.00 55.95 55.94 1spk s SER 2 Cb 0.00 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.01 1spk s SER 2 CO 0.00 0.12 0.45 -1.54 0.98 0.00 0.00 173.24 173.25 1spk n SER 3 N 2.64 -6.28 -3.66 7.02 3.41 -1.26 -5.01 113.62 110.48 1spk n SER 3 Ca -0.15 0.19 -0.10 0.00 -0.26 0.00 0.00 58.87 58.55 1spk n SER 3 Cb 0.56 -2.41 -0.08 0.00 -0.26 0.00 0.00 64.21 62.01 1spk n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1spk s GLY 4 N -1.53 -0.51 -0.25 5.00 0.00 -1.26 -5.13 107.32 103.64 1spk s GLY 4 Ca 0.25 1.98 -0.04 0.00 0.00 0.00 0.00 44.72 46.91 1spk s GLY 4 CO 0.64 1.91 0.16 -0.56 0.00 0.00 0.00 173.10 175.25 1spk s SER 5 N 1.08 2.62 -0.29 1.64 0.01 -1.26 -5.08 113.70 112.42 1spk s SER 5 Ca -0.06 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.36 1spk s SER 5 Cb -0.05 -0.07 0.18 0.00 0.21 0.00 0.00 66.02 66.28 1spk s SER 5 CO -0.10 -0.39 0.50 -0.55 0.41 0.00 0.00 173.24 173.11 1spk s SER 6 N 2.19 -0.65 0.00 2.44 0.15 -1.26 -4.96 113.70 111.61 1spk s SER 6 Ca 0.07 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1spk s SER 6 Cb -0.16 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1spk s SER 6 CO -0.26 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1spk n GLY 7 N 5.39 0.72 3.47 9.45 0.00 -1.26 -5.10 105.19 117.86 1spk n GLY 7 Ca 0.03 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.70 -4.90 1.61 1.13 -1.26 -4.54 117.38 108.71 1spk n GLN 8 Ca 0.00 -0.16 -0.31 0.00 -1.94 0.00 0.00 57.00 54.59 1spk n GLN 8 Cb 0.00 -2.01 -0.14 0.00 0.11 0.00 0.00 30.24 28.20 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 -3.96 2.02 0.12 -1.09 1.02 -1.26 -1.64 119.74 114.95 1spk s LYS 9 Ca 0.61 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.66 1spk s LYS 9 Cb -0.21 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1spk s LYS 9 CO 0.64 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.62 1spk s VAL 10 N -0.80 1.31 -0.07 3.17 -7.23 -0.95 -2.48 120.40 113.34 1spk s VAL 10 Ca 0.12 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1spk s VAL 10 Cb -0.10 -1.51 -0.00 0.00 0.56 0.00 0.00 36.38 35.32 1spk s VAL 10 CO 0.02 -0.42 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.43 1spk s LYS 11 N -2.65 2.50 0.14 4.82 2.20 0.56 -1.95 119.74 125.35 1spk s LYS 11 Ca 0.08 -0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 1spk s LYS 11 Cb -0.05 -1.99 -0.07 0.00 -1.51 0.00 0.00 37.83 34.21 1spk s LYS 11 CO 0.03 0.21 1.15 0.95 -0.36 0.00 0.00 175.35 177.33 1spk s THR 12 N 0.22 3.88 -1.12 3.43 -4.23 -1.06 -0.58 115.64 116.19 1spk s THR 12 Ca -0.12 1.52 0.22 0.00 -1.18 0.00 0.00 61.69 62.12 1spk s THR 12 Cb -0.16 -3.97 -0.18 0.00 1.34 0.00 0.00 72.50 69.53 1spk s THR 12 CO 0.06 0.21 0.97 2.30 -0.54 0.00 0.00 174.62 177.62 1spk n ILE 13 N 2.90 0.00 -3.81 2.99 -5.35 -1.13 -1.43 119.36 113.53 1spk n ILE 13 Ca 0.05 -0.03 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 1spk n ILE 13 Cb 0.46 0.96 -0.09 0.00 -1.74 0.00 0.00 39.64 39.24 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 -2.94 -0.06 0.63 4.28 0.08 -1.26 -4.92 117.98 113.80 1spk s PHE 14 Ca 0.10 0.02 -0.14 0.00 0.12 0.00 0.00 56.93 57.03 1spk s PHE 14 Cb 0.16 0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.63 1spk s PHE 14 CO 0.82 -0.38 1.05 -1.25 -0.10 0.00 0.00 175.22 175.36 1spk s PRO 15 N -1.72 3.20 -0.39 0.24 0.04 -1.26 -4.45 135.00 130.67 1spk s PRO 15 Ca -0.11 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.07 1spk s PRO 15 Cb -0.05 -2.02 0.18 0.00 0.04 0.00 0.00 34.50 32.66 1spk s PRO 15 CO 0.01 -0.90 0.63 -1.58 0.04 0.00 0.00 177.00 175.21 1spk s HIS 16 N -2.73 -1.74 0.23 0.56 2.46 -1.24 -4.98 115.29 107.85 1spk s HIS 16 Ca 0.61 0.39 -0.30 0.00 0.47 0.00 0.00 55.06 56.23 1spk s HIS 16 Cb -0.15 0.32 -0.10 0.00 -0.13 0.00 0.00 32.58 32.52 1spk s HIS 16 CO 0.45 -1.15 1.38 0.99 -2.47 0.00 0.00 174.74 173.94 1spk s THR 17 N 2.01 2.89 -0.01 0.89 2.01 -1.26 -3.66 115.64 118.50 1spk s THR 17 Ca 0.15 0.74 0.01 0.00 0.31 0.00 0.00 61.69 62.91 1spk s THR 17 Cb -0.05 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 69.01 1spk s THR 17 CO -0.10 0.12 0.73 0.00 -0.69 0.00 0.00 174.62 174.68 1spk n ALA 18 N 2.40 1.46 -1.20 7.40 0.00 -1.26 -4.93 120.51 124.39 1spk n ALA 18 Ca 0.06 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 1spk n ALA 18 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.20 -1.23 4.89 0.00 0.00 -1.26 -1.42 105.19 105.96 1spk n GLY 19 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 1.60 0.00 -4.41 1.61 2.85 -1.26 -4.93 115.26 110.72 1spk n ASN 20 Ca 0.15 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.20 1spk n ASN 20 Cb 0.18 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.20 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 4.00 -1.32 -0.02 1.20 4.13 -0.50 -4.89 115.26 117.85 1spk n ASN 21 Ca 0.00 0.94 0.02 0.00 1.68 0.00 0.00 54.58 57.21 1spk n ASN 21 Cb 0.00 -1.04 -0.08 0.00 -1.54 0.00 0.00 39.78 37.12 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 0.87 1.07 0.18 3.52 2.85 -1.26 -4.41 118.16 120.97 1spk n LYS 22 Ca 0.12 -0.06 0.13 0.00 -1.05 0.00 0.00 58.31 57.45 1spk n LYS 22 Cb 0.37 -1.25 0.37 0.00 -0.65 0.00 0.00 35.03 33.86 1spk n LYS 22 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1spk h THR 23 N 0.00 0.00 -3.99 0.58 1.35 -1.93 -3.44 112.91 105.48 1spk h THR 23 Ca -0.10 -0.65 -0.69 0.00 -0.55 0.00 0.00 66.41 64.42 1spk h THR 23 Cb 0.89 1.62 -0.22 0.00 -1.73 0.00 0.00 68.15 68.71 1spk h THR 23 CO 0.01 0.00 -0.79 -0.76 -0.25 0.00 0.00 175.52 173.73 1spk s LEU 24 N -5.42 2.69 -0.08 3.87 1.43 -1.26 -1.77 118.68 118.13 1spk s LEU 24 Ca 0.07 -0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 1spk s LEU 24 Cb 0.09 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1spk s LEU 24 CO 0.59 0.30 0.37 -0.22 0.23 0.00 0.00 176.35 177.62 1spk s LEU 25 N -1.13 4.36 -0.26 1.79 2.96 -1.21 -4.70 118.68 120.48 1spk s LEU 25 Ca 0.14 0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 54.71 1spk s LEU 25 Cb -0.11 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1spk s LEU 25 CO 0.03 0.19 0.15 -0.94 -1.32 0.00 0.00 176.35 174.47 1spk s SER 26 N -0.25 5.78 0.33 3.68 1.04 -1.26 -4.30 113.70 118.73 1spk s SER 26 Ca 0.21 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.50 1spk s SER 26 Cb -0.15 -2.06 0.02 0.00 0.10 0.00 0.00 66.02 63.93 1spk s SER 26 CO 0.09 -0.02 0.59 0.72 0.98 0.00 0.00 173.24 175.60 1spk s PHE 27 N 1.57 0.55 0.16 5.02 -0.12 -1.24 -4.92 117.98 119.01 1spk s PHE 27 Ca 0.07 -0.96 0.10 0.00 -0.05 0.00 0.00 56.93 56.09 1spk s PHE 27 Cb -0.15 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1spk s PHE 27 CO 0.08 -1.25 -0.21 0.00 -0.05 0.00 0.00 175.22 173.79 1spk s ALA 28 N -3.08 2.59 0.18 1.99 0.00 -1.26 -3.66 121.76 118.52 1spk s ALA 28 Ca 0.23 -1.50 -0.33 0.00 0.00 0.00 0.00 51.96 50.36 1spk s ALA 28 Cb -0.02 -0.48 -0.15 0.00 0.00 0.00 0.00 23.12 22.47 1spk s ALA 28 CO 0.14 0.50 1.29 0.94 0.00 0.00 0.00 175.76 178.64 1spk n GLN 29 N 0.52 1.48 0.00 0.00 7.27 -1.26 -1.07 117.38 124.32 1spk n GLN 29 Ca -0.14 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.46 1spk n GLN 29 Cb 0.54 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 31.08 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 2.25 2.60 3.49 1.69 0.00 -0.51 -5.00 105.19 109.70 1spk n GLY 30 Ca 0.15 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.87 -4.42 1.61 9.92 -0.24 -4.58 116.55 117.99 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 -1.22 -0.14 0.00 -0.64 0.00 0.00 41.12 39.12 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 -1.79 3.08 -0.02 2.53 1.01 -1.26 -2.55 120.40 121.40 1spk s VAL 32 Ca 0.68 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1spk s VAL 32 Cb -0.39 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1spk s VAL 32 CO 0.55 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 175.21 1spk s LEU 33 N -0.11 2.04 -0.22 3.92 1.43 -0.82 -3.37 118.68 121.55 1spk s LEU 33 Ca -0.01 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 1spk s LEU 33 Cb -0.14 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1spk s LEU 33 CO 0.04 0.28 0.43 -0.89 0.23 0.00 0.00 176.35 176.43 1spk s THR 34 N -0.49 5.16 0.50 5.49 2.01 0.24 -2.24 115.64 126.32 1spk s THR 34 Ca 0.07 0.74 -0.20 0.00 0.31 0.00 0.00 61.69 62.61 1spk s THR 34 Cb -0.10 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 1spk s THR 34 CO -0.00 0.21 1.09 -0.76 -0.69 0.00 0.00 174.62 174.46 1spk s LEU 35 N 1.60 3.83 0.00 4.42 1.02 -0.65 0.20 118.68 129.10 1spk s LEU 35 Ca 0.19 2.07 0.00 0.00 0.02 0.00 0.00 54.13 56.41 1spk s LEU 35 Cb -0.15 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.53 1spk s LEU 35 CO 0.09 -0.96 0.00 0.18 0.02 0.00 0.00 176.35 175.67 1spk n LEU 36 N -1.03 0.26 -4.81 1.79 4.77 -1.23 -4.50 117.00 112.25 1spk n LEU 36 Ca 0.10 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.71 1spk n LEU 36 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1spk n LEU 36 CO 0.42 0.03 -0.08 0.27 -1.33 0.00 0.00 177.39 176.70 1spk s ILE 37 N -2.00 5.35 -0.71 -0.08 -4.36 -1.26 -4.92 121.20 113.21 1spk s ILE 37 Ca 0.00 0.42 0.24 0.00 -0.26 0.00 0.00 60.65 61.05 1spk s ILE 37 Cb 0.00 -3.53 0.24 0.00 1.25 0.00 0.00 42.46 40.42 1spk s ILE 37 CO 0.00 0.53 1.73 -0.81 0.24 0.00 0.00 174.94 176.63 1spk n PRO 38 N 2.56 0.17 -2.76 0.37 -0.04 -1.26 -4.78 135.00 129.26 1spk n PRO 38 Ca -0.16 0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1spk n PRO 38 Cb 0.53 -1.75 0.08 0.00 -0.04 0.00 0.00 33.50 32.32 1spk n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1spk s GLU 39 N -3.15 2.08 -0.01 0.54 2.56 -1.26 -5.12 118.70 114.33 1spk s GLU 39 Ca 0.08 -1.23 0.02 0.00 0.00 0.00 0.00 54.97 53.85 1spk s GLU 39 Cb 0.12 -2.48 -0.00 0.00 2.00 0.00 0.00 34.13 33.77 1spk s GLU 39 CO 0.47 -1.08 -0.08 -1.83 -0.56 0.00 0.00 175.26 172.18 1spk s GLU 40 N -4.89 0.75 -0.80 4.30 -1.05 -1.26 -4.66 118.70 111.09 1spk s GLU 40 Ca 0.63 -0.28 -0.16 0.00 -0.15 0.00 0.00 54.97 55.01 1spk s GLU 40 Cb -0.07 -0.72 -0.12 0.00 -0.44 0.00 0.00 34.13 32.79 1spk s GLU 40 CO 0.41 0.14 1.97 1.17 0.95 0.00 0.00 175.26 179.90 1spk n LYS 41 N 3.07 1.67 -3.60 -4.83 0.00 0.52 -4.12 118.16 110.86 1spk n LYS 41 Ca -0.15 -1.68 -0.21 0.00 0.00 0.00 0.00 58.31 56.26 1spk n LYS 41 Cb 0.56 -2.73 0.05 0.00 0.00 0.00 0.00 35.03 32.90 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1spk n ASP 42 N 6.29 -2.64 0.00 3.14 8.00 -1.26 -2.60 116.55 127.48 1spk n ASP 42 Ca 0.47 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1spk n ASP 42 Cb 0.30 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 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 -1.49 3.23 3.77 0.44 0.00 -1.26 -5.06 105.19 104.83 1spk n GLY 43 Ca -0.24 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 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 2.70 0.10 1.61 0.52 -1.07 -2.44 118.94 120.36 1spk s TRP 44 Ca 0.00 1.51 0.08 0.00 0.02 0.00 0.00 56.10 57.71 1spk s TRP 44 Cb 0.00 -3.44 -0.03 0.00 -1.15 0.00 0.00 33.47 28.84 1spk s TRP 44 CO 0.00 -1.81 -0.20 -0.51 0.02 0.00 0.00 176.95 174.46 1spk s LEU 45 N -3.33 2.30 0.27 2.99 1.43 0.28 0.19 118.68 122.81 1spk s LEU 45 Ca 0.68 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1spk s LEU 45 Cb -0.30 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1spk s LEU 45 CO 0.35 0.03 0.19 -0.47 0.23 0.00 0.00 176.35 176.69 1spk s TYR 46 N -1.22 3.04 -0.19 0.29 5.04 -1.26 -1.98 117.35 121.07 1spk s TYR 46 Ca 0.05 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 1spk s TYR 46 Cb -0.10 -1.44 0.00 0.00 0.35 0.00 0.00 41.96 40.77 1spk s TYR 46 CO 0.04 0.48 0.00 0.41 -1.34 0.00 0.00 175.55 175.14 1spk n GLY 47 N -1.18 -1.20 3.43 8.97 0.00 -1.25 -3.54 105.19 110.42 1spk n GLY 47 Ca -0.07 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.02 2.41 0.09 1.61 2.12 0.53 -3.47 118.70 120.98 1spk s GLU 48 Ca 0.00 -0.76 -0.27 0.00 0.36 0.00 0.00 54.97 54.30 1spk s GLU 48 Cb 0.00 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 32.04 1spk s GLU 48 CO 0.00 0.59 0.84 -1.58 -0.54 0.00 0.00 175.26 174.57 1spk s HIS 49 N -0.67 3.79 -0.27 5.30 5.65 -0.84 -0.59 115.29 127.65 1spk s HIS 49 Ca 0.10 1.62 -0.03 0.00 0.25 0.00 0.00 55.06 57.00 1spk s HIS 49 Cb -0.11 -2.90 0.04 0.00 -1.18 0.00 0.00 32.58 28.43 1spk s HIS 49 CO 0.00 0.28 2.62 -3.47 -0.65 0.00 0.00 174.74 173.53 1spk n ASP 50 N 2.63 6.11 0.00 9.88 -0.08 -1.22 -2.73 116.55 131.14 1spk n ASP 50 Ca -0.01 -2.93 0.00 0.00 -1.51 0.00 0.00 54.79 50.34 1spk n ASP 50 Cb 0.50 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.75 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 1.10 0.00 0.30 5.18 -1.04 -1.26 -4.91 114.28 113.65 1spk n THR 51 Ca 0.37 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.53 1spk n THR 51 Cb 0.63 0.00 0.61 0.00 -1.82 0.00 0.00 70.33 69.74 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 0.00 0.00 12.58 1.35 -1.95 -3.45 112.91 121.44 1spk h THR 52 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1spk h THR 52 Cb 0.00 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1spk h THR 52 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1spk n LYS 53 N -2.92 -0.20 -3.77 4.72 4.76 -1.10 -4.98 118.16 114.65 1spk n LYS 53 Ca 0.01 0.05 -0.32 0.00 -2.87 0.00 0.00 58.31 55.19 1spk n LYS 53 Cb 0.31 -3.24 -0.05 0.00 -1.84 0.00 0.00 35.03 30.22 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 -2.63 3.87 -0.10 7.82 0.00 -1.26 -4.74 121.76 124.72 1spk s ALA 54 Ca 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1spk s ALA 54 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 1spk s ALA 54 CO 0.00 0.72 -0.04 1.03 0.00 0.00 0.00 175.76 177.48 1spk s ARG 55 N -2.50 3.11 0.00 0.00 0.52 -1.26 -1.99 118.95 116.83 1spk s ARG 55 Ca 0.37 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 1spk s ARG 55 Cb -0.13 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.59 1spk s ARG 55 CO 0.25 0.54 0.00 0.41 0.02 0.00 0.00 175.30 176.52 1spk n GLY 56 N 2.61 4.44 3.48 -3.53 0.00 -1.23 -4.93 105.19 106.04 1spk n GLY 56 Ca -0.18 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.44 2.88 0.02 1.61 0.52 -0.73 -3.84 118.94 117.96 1spk s TRP 57 Ca 0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 55.80 1spk s TRP 57 Cb 0.00 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1spk s TRP 57 CO 0.00 0.06 0.06 -0.59 0.02 0.00 0.00 176.95 176.51 1spk s PHE 58 N -0.18 0.17 -0.12 -1.98 -0.12 -0.84 -3.28 117.98 111.63 1spk s PHE 58 Ca 0.01 -0.39 -0.29 0.00 -0.05 0.00 0.00 56.93 56.21 1spk s PHE 58 Cb -0.13 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 1spk s PHE 58 CO 0.03 -0.28 1.26 -1.25 -0.05 0.00 0.00 175.22 174.93 1spk s PRO 59 N -1.80 4.27 0.61 1.99 0.04 -1.26 0.10 135.00 138.95 1spk s PRO 59 Ca -0.12 1.69 0.27 0.00 0.04 0.00 0.00 61.00 62.87 1spk s PRO 59 Cb -0.06 -3.70 1.32 0.00 0.04 0.00 0.00 34.50 32.09 1spk s PRO 59 CO -0.01 -0.63 1.74 0.66 0.04 0.00 0.00 177.00 178.80 1spk h SER 60 N 8.00 0.00 0.41 6.66 4.64 -1.78 1.50 113.55 132.98 1spk h SER 60 Ca -0.29 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.91 1spk h SER 60 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1spk h SER 60 CO 0.94 0.00 -0.51 -1.28 -0.87 0.00 0.00 176.83 175.11 1spk h SER 61 N 0.00 0.12 -0.13 4.97 0.87 -1.90 -2.27 113.55 115.21 1spk h SER 61 Ca 0.20 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1spk h SER 61 Cb 1.42 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 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 -3.94 0.17 -3.88 2.24 4.02 0.51 -4.80 117.16 111.49 1spk n TYR 62 Ca -0.02 -0.09 -0.10 0.00 -0.01 0.00 0.00 57.90 57.68 1spk n TYR 62 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.83 0.11 0.11 -0.72 -4.23 -0.85 -2.85 115.64 105.38 1spk s THR 63 Ca 0.10 -0.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.79 1spk s THR 63 Cb 0.05 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 1spk s THR 63 CO 0.07 -0.48 -0.14 -0.54 -0.54 0.00 0.00 174.62 172.99 1spk s LYS 64 N -2.11 0.96 0.01 3.99 1.02 0.25 -4.84 119.74 119.02 1spk s LYS 64 Ca -0.09 -1.15 -0.30 0.00 0.02 0.00 0.00 55.97 54.45 1spk s LYS 64 Cb -0.04 -0.88 -0.04 0.00 -0.52 0.00 0.00 37.83 36.36 1spk s LYS 64 CO -0.02 0.18 1.04 -0.51 -0.92 0.00 0.00 175.35 175.11 1spk s LEU 65 N -2.24 4.37 1.15 3.17 1.43 -1.26 -0.32 118.68 124.98 1spk s LEU 65 Ca 0.06 1.75 -0.15 0.00 -1.03 0.00 0.00 54.13 54.76 1spk s LEU 65 Cb -0.06 -3.57 0.27 0.00 0.03 0.00 0.00 46.19 42.85 1spk s LEU 65 CO 0.03 -0.32 1.05 -0.76 0.23 0.00 0.00 176.35 176.58 1spk s LEU 66 N 1.03 0.77 -0.40 1.79 1.43 -1.03 -4.90 118.68 117.37 1spk s LEU 66 Ca 0.54 1.18 0.06 0.00 -1.03 0.00 0.00 54.13 54.88 1spk s LEU 66 Cb -0.23 -3.08 0.17 0.00 0.03 0.00 0.00 46.19 43.07 1spk s LEU 66 CO 0.28 -4.01 0.53 -0.44 0.23 0.00 0.00 176.35 172.94 1spk s SER 67 N -3.10 -0.42 -0.23 2.29 0.01 -1.26 -5.03 113.70 105.95 1spk s SER 67 Ca 0.68 -1.14 -0.28 0.00 1.31 0.00 0.00 55.95 56.51 1spk s SER 67 Cb -0.19 1.38 0.15 0.00 0.21 0.00 0.00 66.02 67.57 1spk s SER 67 CO 0.60 -0.20 1.16 -0.83 0.41 0.00 0.00 173.24 174.38 1spk s GLY 68 N 1.64 -0.07 -1.17 3.44 0.00 -1.26 -5.05 107.32 104.86 1spk s GLY 68 Ca 0.17 2.56 -0.13 0.00 0.00 0.00 0.00 44.72 47.33 1spk s GLY 68 CO -0.05 1.32 2.29 -1.55 0.00 0.00 0.00 173.10 175.11 1spk n PRO 69 N 1.05 2.49 -1.87 2.90 -0.04 -1.26 -4.87 135.00 133.40 1spk n PRO 69 Ca -0.08 -1.98 -0.27 0.00 -0.04 0.00 0.00 63.50 61.13 1spk n PRO 69 Cb 0.58 -2.83 -0.05 0.00 -0.04 0.00 0.00 33.50 31.15 1spk n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1spk s SER 70 N 3.47 4.78 0.20 3.54 0.15 -1.26 -4.93 113.70 119.65 1spk s SER 70 Ca 0.53 -0.06 -0.23 0.00 0.70 0.00 0.00 55.95 56.88 1spk s SER 70 Cb 0.14 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.82 1spk s SER 70 CO -0.02 -2.96 0.77 -0.44 1.20 0.00 0.00 173.24 171.79 1spk s SER 71 N 9.25 7.24 0.00 5.45 0.01 -1.26 -5.25 113.70 129.15 1spk s SER 71 Ca 0.78 1.57 0.01 0.00 1.31 0.00 0.00 55.95 59.62 1spk s SER 71 Cb -0.11 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1spk s SER 71 CO 0.09 0.11 0.52 0.61 0.41 0.00 0.00 173.24 174.99