#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x45 h SER 2 N 0.00 0.19 0.00 1.61 0.87 -2.02 -3.35 113.55 110.85 1x45 h SER 2 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1x45 h SER 2 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1x45 h SER 2 CO 0.00 0.20 -0.33 -1.28 -0.53 0.00 0.00 176.83 174.89 1x45 h SER 3 N 0.17 0.00 0.00 6.23 0.87 -2.01 -3.49 113.55 115.33 1x45 h SER 3 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1x45 h SER 3 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1x45 h SER 3 CO -0.01 0.64 0.00 0.61 -0.53 0.00 0.00 176.83 177.54 1x45 n GLY 4 N 1.68 3.09 2.27 5.77 0.00 -1.26 -4.90 105.19 111.85 1x45 n GLY 4 Ca -0.05 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 1x45 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x45 n SER 5 N 0.94 5.95 -4.34 1.61 2.88 -1.26 -4.82 113.62 114.58 1x45 n SER 5 Ca 0.00 -2.90 -0.47 0.00 -1.33 0.00 0.00 58.87 54.18 1x45 n SER 5 Cb 0.00 -1.31 -0.02 0.00 -0.75 0.00 0.00 64.21 62.13 1x45 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x45 s SER 6 N 1.05 6.69 0.00 -3.46 0.01 -1.26 -4.80 113.70 111.93 1x45 s SER 6 Ca 0.62 -2.54 0.00 0.00 1.31 0.00 0.00 55.95 55.34 1x45 s SER 6 Cb 0.35 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1x45 s SER 6 CO -0.13 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1x45 n GLY 7 N 4.23 -0.61 3.67 3.44 0.00 -0.60 -4.94 105.19 110.37 1x45 n GLY 7 Ca 0.11 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1x45 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x45 s ASP 8 N -4.00 6.51 0.09 1.61 1.01 -1.26 -1.77 116.67 118.86 1x45 s ASP 8 Ca 0.00 2.58 0.08 0.00 0.71 0.00 0.00 52.55 55.92 1x45 s ASP 8 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1x45 s ASP 8 CO 0.00 -0.99 -0.18 -0.69 0.21 0.00 0.00 175.17 173.52 1x45 s VAL 9 N 3.76 2.84 -0.20 -1.27 1.01 0.16 -4.94 120.40 121.76 1x45 s VAL 9 Ca 0.82 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1x45 s VAL 9 Cb -0.41 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1x45 s VAL 9 CO 0.37 0.18 0.03 -0.36 0.00 0.00 0.00 175.10 175.32 1x45 s PHE 10 N -1.07 1.15 -0.49 5.22 0.40 -1.26 -0.26 117.98 121.67 1x45 s PHE 10 Ca 0.17 -0.95 -0.22 0.00 -0.60 0.00 0.00 56.93 55.33 1x45 s PHE 10 Cb -0.11 -1.08 0.04 0.00 0.51 0.00 0.00 43.02 42.38 1x45 s PHE 10 CO 0.09 -0.63 0.77 0.42 0.70 0.00 0.00 175.22 176.56 1x45 s ILE 11 N 1.82 4.66 -0.46 0.64 -1.09 -0.64 -4.94 121.20 121.19 1x45 s ILE 11 Ca -0.01 0.12 -0.23 0.00 -2.23 0.00 0.00 60.65 58.30 1x45 s ILE 11 Cb -0.17 -4.36 0.03 0.00 -1.58 0.00 0.00 42.46 36.38 1x45 s ILE 11 CO -0.08 -0.83 0.81 -1.61 -1.23 0.00 0.00 174.94 172.00 1x45 s GLU 12 N 3.24 3.42 0.21 2.79 2.02 -1.26 -2.74 118.70 126.38 1x45 s GLU 12 Ca 0.25 -0.07 0.03 0.00 0.02 0.00 0.00 54.97 55.20 1x45 s GLU 12 Cb -0.14 -3.94 -0.01 0.00 0.10 0.00 0.00 34.13 30.13 1x45 s GLU 12 CO 0.19 -1.15 0.13 0.36 0.02 0.00 0.00 175.26 174.80 1x45 n LYS 13 N 6.82 0.45 -4.06 1.61 2.85 0.28 -4.94 118.16 121.16 1x45 n LYS 13 Ca 0.03 -1.91 -0.30 0.00 -1.05 0.00 0.00 58.31 55.08 1x45 n LYS 13 Cb 0.48 1.33 -0.06 0.00 -0.65 0.00 0.00 35.03 36.13 1x45 n LYS 13 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1x45 s GLN 14 N -2.81 2.86 0.49 -1.58 -1.52 -1.26 -4.32 119.66 111.51 1x45 s GLN 14 Ca 0.18 -0.72 -0.22 0.00 -1.95 0.00 0.00 55.36 52.65 1x45 s GLN 14 Cb 0.01 -2.70 -0.07 0.00 -0.22 0.00 0.00 33.01 30.03 1x45 s GLN 14 CO 0.13 0.56 1.17 0.15 -0.25 0.00 0.00 175.29 177.04 1x45 s LYS 15 N -2.46 3.60 0.00 2.91 1.02 -1.26 -3.34 119.74 120.22 1x45 s LYS 15 Ca 0.29 1.77 0.00 0.00 0.02 0.00 0.00 55.97 58.05 1x45 s LYS 15 Cb -0.12 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1x45 s LYS 15 CO 0.22 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 1x45 n GLY 16 N 0.40 3.00 3.98 -3.33 0.00 -0.43 -4.98 105.19 103.82 1x45 n GLY 16 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1x45 n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x45 s GLU 17 N -0.07 3.28 0.62 1.61 -1.05 -1.21 -4.94 118.70 116.93 1x45 s GLU 17 Ca 0.00 -0.82 -0.03 0.00 -0.15 0.00 0.00 54.97 53.97 1x45 s GLU 17 Cb 0.00 -2.82 0.04 0.00 -0.44 0.00 0.00 34.13 30.91 1x45 s GLU 17 CO 0.00 0.20 0.89 0.96 0.95 0.00 0.00 175.26 178.26 1x45 s ILE 18 N -2.13 2.69 -1.84 1.83 -4.36 -1.26 -4.19 121.20 111.94 1x45 s ILE 18 Ca 0.40 -0.40 0.16 0.00 -0.26 0.00 0.00 60.65 60.55 1x45 s ILE 18 Cb -0.09 -3.08 0.42 0.00 1.25 0.00 0.00 42.46 40.95 1x45 s ILE 18 CO 0.31 -0.07 1.41 -0.11 0.24 0.00 0.00 174.94 176.71 1x45 n LEU 19 N -2.61 0.00 -4.14 0.37 7.94 -1.26 -4.62 117.00 112.68 1x45 n LEU 19 Ca 0.07 0.08 -0.33 0.00 -1.11 0.00 0.00 56.01 54.72 1x45 n LEU 19 Cb 0.60 -0.08 -0.05 0.00 0.53 0.00 0.00 43.42 44.42 1x45 n LEU 19 CO 0.49 -0.04 -0.33 0.61 -1.11 0.00 0.00 177.39 177.02 1x45 n GLY 20 N 0.04 -0.36 3.31 -3.96 0.00 -1.26 -3.10 105.19 99.86 1x45 n GLY 20 Ca 0.11 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 1x45 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x45 s VAL 21 N -4.04 0.00 -0.10 1.61 0.11 -1.26 -2.08 120.40 114.65 1x45 s VAL 21 Ca 0.14 -0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.14 1x45 s VAL 21 Cb -0.07 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1x45 s VAL 21 CO 0.96 -0.01 0.01 -0.69 -3.33 0.00 0.00 175.10 172.04 1x45 s VAL 22 N 0.12 4.39 0.21 2.04 1.01 -0.32 -5.01 120.40 122.84 1x45 s VAL 22 Ca -0.01 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 61.85 1x45 s VAL 22 Cb -0.03 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1x45 s VAL 22 CO 0.01 0.59 -0.18 0.27 0.00 0.00 0.00 175.10 175.79 1x45 s ILE 23 N -0.75 2.05 0.32 2.22 -4.36 -1.26 -0.16 121.20 119.25 1x45 s ILE 23 Ca 0.12 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.38 1x45 s ILE 23 Cb -0.12 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 1x45 s ILE 23 CO 0.02 -0.39 0.34 0.68 0.24 0.00 0.00 174.94 175.83 1x45 s VAL 24 N -2.38 0.00 0.21 8.37 -7.23 0.69 -4.76 120.40 115.30 1x45 s VAL 24 Ca 0.22 -1.84 -0.31 0.00 -1.81 0.00 0.00 61.98 58.25 1x45 s VAL 24 Cb -0.04 -2.54 -0.10 0.00 0.56 0.00 0.00 36.38 34.26 1x45 s VAL 24 CO 0.09 0.00 1.46 -1.61 -0.31 0.00 0.00 175.10 174.74 1x45 s GLU 25 N -3.40 4.26 -0.38 4.82 8.01 -1.26 -1.40 118.70 129.34 1x45 s GLU 25 Ca 0.36 2.28 0.02 0.00 0.01 0.00 0.00 54.97 57.65 1x45 s GLU 25 Cb 0.02 -3.14 0.49 0.00 -4.31 0.00 0.00 34.13 27.19 1x45 s GLU 25 CO 0.23 -0.47 1.78 0.43 0.01 0.00 0.00 175.26 177.24 1x45 n SER 26 N 3.00 4.25 0.04 -0.19 7.64 -1.26 -4.37 113.62 122.73 1x45 n SER 26 Ca 0.09 -3.30 0.13 0.00 1.01 0.00 0.00 58.87 56.80 1x45 n SER 26 Cb 0.40 -0.81 0.50 0.00 -1.01 0.00 0.00 64.21 63.29 1x45 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 27 N -0.71 -1.48 3.56 0.23 0.00 -1.26 -4.32 105.19 101.20 1x45 n GLY 27 Ca 0.47 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 1x45 n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x45 s TRP 28 N -3.06 1.31 -0.38 1.61 0.52 -1.26 -4.09 118.94 113.59 1x45 s TRP 28 Ca 0.11 1.45 -0.24 0.00 0.02 0.00 0.00 56.10 57.44 1x45 s TRP 28 Cb 0.15 -3.68 0.04 0.00 -1.15 0.00 0.00 33.47 28.82 1x45 s TRP 28 CO 0.50 -1.99 0.48 0.41 0.02 0.00 0.00 176.95 176.38 1x45 n GLY 29 N 6.42 -0.06 3.24 0.98 0.00 -1.26 -4.76 105.19 109.75 1x45 n GLY 29 Ca 0.39 0.79 -0.12 0.00 0.00 0.00 0.00 46.02 47.08 1x45 n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 s SER 30 N -1.37 -0.12 -0.04 1.61 0.01 -1.26 -4.53 113.70 108.00 1x45 s SER 30 Ca 0.24 -0.15 -0.16 0.00 1.31 0.00 0.00 55.95 57.18 1x45 s SER 30 Cb -0.02 0.34 -0.10 0.00 0.21 0.00 0.00 66.02 66.45 1x45 s SER 30 CO 0.65 -0.57 0.66 0.40 0.41 0.00 0.00 173.24 174.79 1x45 h ILE 31 N 3.41 0.16 -3.55 1.44 5.03 -1.93 -3.40 117.51 118.67 1x45 h ILE 31 Ca -0.31 -0.71 -0.75 0.00 -0.12 0.00 0.00 64.86 62.97 1x45 h ILE 31 Cb 1.19 0.27 -0.29 0.00 -3.03 0.00 0.00 36.82 34.96 1x45 h ILE 31 CO 0.45 0.04 -0.16 -0.76 -0.68 0.00 0.00 178.15 177.04 1x45 s LEU 32 N -9.09 6.10 -0.89 1.44 2.01 -1.26 -5.02 118.68 111.98 1x45 s LEU 32 Ca -0.09 -2.45 -0.25 0.00 0.01 0.00 0.00 54.13 51.36 1x45 s LEU 32 Cb 0.01 -2.08 -0.05 0.00 0.01 0.00 0.00 46.19 44.08 1x45 s LEU 32 CO 0.28 -0.59 1.95 -2.16 1.01 0.00 0.00 176.35 176.84 1x45 s PRO 33 N 0.54 2.55 0.00 1.29 0.04 -1.26 -4.70 135.00 133.46 1x45 s PRO 33 Ca 0.13 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1x45 s PRO 33 Cb -0.18 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.32 1x45 s PRO 33 CO -0.04 -3.36 0.00 0.25 0.04 0.00 0.00 177.00 173.88 1x45 n THR 34 N 7.86 0.00 -3.65 1.26 -2.24 -1.26 -3.79 114.28 112.46 1x45 n THR 34 Ca 0.40 0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 62.22 1x45 n THR 34 Cb 0.47 -0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 1x45 n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1x45 s VAL 35 N -0.40 0.00 0.13 2.28 -7.23 -1.26 -4.19 120.40 109.74 1x45 s VAL 35 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.24 1x45 s VAL 35 Cb 0.00 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1x45 s VAL 35 CO 0.00 0.00 -0.16 0.27 -0.31 0.00 0.00 175.10 174.90 1x45 s ILE 36 N 0.04 1.53 -0.01 -0.62 -4.36 -0.49 -0.48 121.20 116.81 1x45 s ILE 36 Ca 0.06 -1.75 -0.30 0.00 -0.26 0.00 0.00 60.65 58.41 1x45 s ILE 36 Cb -0.05 -1.62 -0.06 0.00 1.25 0.00 0.00 42.46 41.98 1x45 s ILE 36 CO -0.13 -0.33 1.51 -0.63 0.24 0.00 0.00 174.94 175.60 1x45 s ILE 37 N -1.96 3.57 -0.11 8.37 1.09 -0.62 -0.22 121.20 131.32 1x45 s ILE 37 Ca 0.10 0.89 0.21 0.00 -1.10 0.00 0.00 60.65 60.75 1x45 s ILE 37 Cb -0.06 -3.57 -0.22 0.00 -1.06 0.00 0.00 42.46 37.55 1x45 s ILE 37 CO 0.04 -0.03 0.60 0.00 -0.10 0.00 0.00 174.94 175.45 1x45 n ALA 38 N 5.98 2.41 -3.59 9.38 0.00 0.77 -2.44 120.51 133.02 1x45 n ALA 38 Ca 0.15 -0.58 -0.06 0.00 0.00 0.00 0.00 53.44 52.95 1x45 n ALA 38 Cb 0.43 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1x45 n ALA 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x45 s ASN 39 N -5.05 -0.20 -0.06 0.00 2.47 -1.21 -4.99 114.94 105.89 1x45 s ASN 39 Ca -0.06 0.12 0.05 0.00 0.42 0.00 0.00 52.86 53.39 1x45 s ASN 39 Cb 0.11 0.19 -0.01 0.00 -1.45 0.00 0.00 41.25 40.09 1x45 s ASN 39 CO 0.86 -0.26 -0.22 -0.04 -3.72 0.00 0.00 177.10 173.71 1x45 s MET 40 N -1.82 2.43 0.55 0.43 -1.94 -1.26 -1.17 119.30 116.52 1x45 s MET 40 Ca 0.06 -0.80 -0.19 0.00 -1.71 0.00 0.00 55.69 53.04 1x45 s MET 40 Cb -0.01 -2.00 -0.08 0.00 2.01 0.00 0.00 34.83 34.75 1x45 s MET 40 CO -0.04 0.28 0.77 -0.12 -0.01 0.00 0.00 175.02 175.90 1x45 n MET 41 N 3.17 0.79 -0.53 2.03 1.56 -0.88 -4.82 117.12 118.44 1x45 n MET 41 Ca -0.18 0.30 -0.04 0.00 -0.27 0.00 0.00 57.70 57.51 1x45 n MET 41 Cb 0.52 -1.92 0.01 0.00 2.15 0.00 0.00 33.22 33.98 1x45 n MET 41 CO 0.00 0.00 0.00 -2.39 -0.73 0.00 0.00 175.97 172.85 1x45 n HIS 42 N -1.48 0.43 0.00 1.12 1.44 -1.26 -3.76 115.22 111.70 1x45 n HIS 42 Ca 0.12 -1.16 0.00 0.00 -2.01 0.00 0.00 57.72 54.67 1x45 n HIS 42 Cb 0.46 -0.58 0.00 0.00 0.12 0.00 0.00 29.99 29.99 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x45 n GLY 43 N 1.02 0.00 2.48 -1.39 0.00 -1.26 -5.14 105.19 100.90 1x45 n GLY 43 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1x45 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x45 n GLY 44 N 0.00 2.47 0.25 -0.02 0.00 -1.25 -4.98 105.19 101.66 1x45 n GLY 44 Ca 0.00 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.68 1x45 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 h PRO 45 N 0.00 0.82 -0.36 1.61 0.13 -1.82 -1.94 132.00 130.44 1x45 h PRO 45 Ca -0.20 -0.43 -0.14 0.00 -0.87 0.00 0.00 66.00 64.35 1x45 h PRO 45 Cb 0.81 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1x45 h PRO 45 CO 0.31 1.07 -0.33 0.00 -0.23 0.00 0.00 178.00 178.82 1x45 h ALA 46 N 0.87 0.53 -0.28 -0.56 0.00 -1.76 0.37 119.26 118.43 1x45 h ALA 46 Ca 0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1x45 h ALA 46 Cb 0.97 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1x45 h ALA 46 CO 0.09 0.58 -0.30 1.49 0.00 0.00 0.00 179.25 181.11 1x45 h GLU 47 N 0.65 0.58 0.23 0.00 4.57 -1.77 -2.99 114.58 115.86 1x45 h GLU 47 Ca 0.06 -0.25 -0.33 0.00 -1.18 0.00 0.00 59.36 57.66 1x45 h GLU 47 Cb 0.91 -0.02 0.03 0.00 -0.16 0.00 0.00 28.75 29.51 1x45 h GLU 47 CO 0.08 0.82 -1.47 0.87 -1.18 0.00 0.00 179.01 178.14 1x45 h LYS 48 N 0.50 0.49 -0.53 1.92 1.57 -1.28 -3.33 116.57 115.91 1x45 h LYS 48 Ca 0.06 -0.84 0.10 0.00 -1.87 0.00 0.00 60.65 58.11 1x45 h LYS 48 Cb 0.78 0.31 -0.09 0.00 0.08 0.00 0.00 32.23 33.31 1x45 h LYS 48 CO 0.06 1.40 -0.00 0.66 -0.57 0.00 0.00 179.45 181.00 1x45 h SER 49 N 0.13 -0.23 -0.62 0.86 4.64 -0.21 -3.46 113.55 114.67 1x45 h SER 49 Ca -0.24 0.13 -0.21 0.00 -0.47 0.00 0.00 61.79 61.00 1x45 h SER 49 Cb 2.14 0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 64.38 1x45 h SER 49 CO 0.26 -0.08 -0.20 0.61 -0.87 0.00 0.00 176.83 176.55 1x45 n GLY 50 N -1.33 0.99 0.07 -0.77 0.00 -1.13 -4.90 105.19 98.13 1x45 n GLY 50 Ca 0.06 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 1x45 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x45 h LYS 51 N 0.00 0.00 0.00 1.61 1.79 -1.89 -3.47 116.57 114.61 1x45 h LYS 51 Ca -0.21 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.70 1x45 h LYS 51 Cb 0.73 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.33 1x45 h LYS 51 CO 0.30 0.69 -0.29 1.47 -1.08 0.00 0.00 179.45 180.54 1x45 n LEU 52 N -3.17 0.00 -3.63 2.94 -0.00 -1.26 -4.86 117.00 107.02 1x45 n LEU 52 Ca -0.10 -2.76 -0.15 0.00 -0.00 0.00 0.00 56.01 53.00 1x45 n LEU 52 Cb 1.00 0.02 -0.07 0.00 -0.00 0.00 0.00 43.42 44.38 1x45 n LEU 52 CO 0.46 -0.55 0.23 0.20 -0.00 0.00 0.00 177.39 177.73 1x45 s ASN 53 N -3.99 -0.41 -0.48 1.45 0.01 -1.26 -5.06 114.94 105.20 1x45 s ASN 53 Ca 0.24 0.30 -0.31 0.00 -0.71 0.00 0.00 52.86 52.39 1x45 s ASN 53 Cb -0.02 0.44 -0.11 0.00 0.41 0.00 0.00 41.25 41.97 1x45 s ASN 53 CO 0.16 -0.59 2.35 -0.38 -1.51 0.00 0.00 177.10 177.12 1x45 n ILE 54 N 0.87 0.09 0.00 0.60 2.08 -1.26 -0.59 119.36 121.15 1x45 n ILE 54 Ca -0.20 -0.41 0.00 0.00 0.56 0.00 0.00 62.75 62.70 1x45 n ILE 54 Cb 0.58 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 1x45 n ILE 54 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x45 n GLY 55 N 6.29 1.21 3.76 7.39 0.00 -1.02 -5.01 105.19 117.81 1x45 n GLY 55 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 1x45 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x45 s ASP 56 N -1.08 5.73 0.16 1.61 1.11 0.24 -3.50 116.67 120.93 1x45 s ASP 56 Ca 0.00 2.58 0.07 0.00 0.18 0.00 0.00 52.55 55.38 1x45 s ASP 56 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1x45 s ASP 56 CO 0.00 -1.24 -0.01 0.00 1.18 0.00 0.00 175.17 175.10 1x45 s GLN 57 N -2.75 2.39 -0.27 8.23 -2.07 -1.00 -1.58 119.66 122.60 1x45 s GLN 57 Ca 0.67 -1.07 -0.10 0.00 -1.82 0.00 0.00 55.36 53.04 1x45 s GLN 57 Cb -0.36 -2.37 -0.05 0.00 -1.09 0.00 0.00 33.01 29.15 1x45 s GLN 57 CO 0.43 0.47 0.16 0.42 -1.32 0.00 0.00 175.29 175.45 1x45 s ILE 58 N -1.62 5.08 0.03 3.63 1.01 0.37 0.10 121.20 129.81 1x45 s ILE 58 Ca 0.27 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.81 1x45 s ILE 58 Cb -0.10 -3.41 -0.18 0.00 0.01 0.00 0.00 42.46 38.78 1x45 s ILE 58 CO 0.18 0.28 1.22 0.24 0.00 0.00 0.00 174.94 176.86 1x45 h MET 59 N 8.27 0.44 -3.62 2.79 2.86 -0.37 -3.39 114.93 121.90 1x45 h MET 59 Ca -0.36 -0.34 -0.10 0.00 -2.06 0.00 0.00 59.70 56.84 1x45 h MET 59 Cb 1.19 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.84 1x45 h MET 59 CO 0.56 0.97 -0.05 -1.54 1.06 0.00 0.00 176.91 177.92 1x45 s SER 60 N -6.52 0.19 -0.25 1.22 1.04 -1.24 -2.60 113.70 105.54 1x45 s SER 60 Ca -0.13 -1.09 -0.02 0.00 0.48 0.00 0.00 55.95 55.18 1x45 s SER 60 Cb 0.05 0.66 0.08 0.00 0.10 0.00 0.00 66.02 66.91 1x45 s SER 60 CO 0.80 -1.29 0.06 -0.63 0.98 0.00 0.00 173.24 173.16 1x45 s ILE 61 N -3.46 0.63 -1.83 -1.02 1.01 0.98 -2.34 121.20 115.16 1x45 s ILE 61 Ca 0.23 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1x45 s ILE 61 Cb -0.02 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.17 1x45 s ILE 61 CO 0.12 -0.42 0.00 0.59 0.00 0.00 0.00 174.94 175.23 1x45 n ASN 62 N 4.98 -5.62 0.00 3.58 3.02 0.23 -1.64 115.26 119.81 1x45 n ASN 62 Ca -0.06 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1x45 n ASN 62 Cb 0.45 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.90 1x45 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x45 n GLY 63 N -0.87 0.95 3.18 7.41 0.00 -1.26 -5.04 105.19 109.56 1x45 n GLY 63 Ca -0.23 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1x45 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x45 s THR 64 N -2.00 2.91 0.30 2.61 2.01 -0.65 -5.09 115.64 115.73 1x45 s THR 64 Ca 0.00 -1.27 -0.29 0.00 0.31 0.00 0.00 61.69 60.44 1x45 s THR 64 Cb 0.00 -2.61 -0.10 0.00 0.01 0.00 0.00 72.50 69.80 1x45 s THR 64 CO 0.00 0.00 1.42 -0.94 -0.69 0.00 0.00 174.62 174.41 1x45 s SER 65 N 1.27 6.62 -0.15 3.53 1.04 -1.26 -0.01 113.70 124.74 1x45 s SER 65 Ca -0.04 2.76 0.17 0.00 0.48 0.00 0.00 55.95 59.32 1x45 s SER 65 Cb -0.19 -2.64 -0.24 0.00 0.10 0.00 0.00 66.02 63.05 1x45 s SER 65 CO -0.02 -0.69 0.14 0.18 0.98 0.00 0.00 173.24 173.82 1x45 n LEU 66 N 1.53 0.00 -4.57 2.42 4.77 -1.07 -4.90 117.00 115.18 1x45 n LEU 66 Ca 0.04 0.00 -0.65 0.00 -0.03 0.00 0.00 56.01 55.36 1x45 n LEU 66 Cb 0.40 0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.75 1x45 n LEU 66 CO 0.61 0.35 1.12 0.55 -1.33 0.00 0.00 177.39 178.69 1x45 n VAL 67 N -2.57 0.00 0.00 4.08 3.14 -1.26 0.44 118.33 122.16 1x45 n VAL 67 Ca -0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1x45 n VAL 67 Cb 0.97 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 1x45 n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x45 n GLY 68 N 3.92 3.10 3.73 7.55 0.00 -1.25 -5.05 105.19 117.19 1x45 n GLY 68 Ca 0.30 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1x45 n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x45 n LEU 69 N 0.00 5.05 -4.77 0.99 4.77 0.17 -4.97 117.00 118.24 1x45 n LEU 69 Ca 0.00 1.02 -0.32 0.00 -0.03 0.00 0.00 56.01 56.68 1x45 n LEU 69 Cb 0.00 -1.55 0.08 0.00 -2.33 0.00 0.00 43.42 39.61 1x45 n LEU 69 CO 0.00 -0.60 0.71 -2.16 -1.33 0.00 0.00 177.39 174.01 1x45 s PRO 70 N -2.67 2.43 0.32 3.23 0.04 -1.26 -4.80 135.00 132.30 1x45 s PRO 70 Ca 0.68 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.98 1x45 s PRO 70 Cb -0.44 -1.91 0.57 0.00 0.04 0.00 0.00 34.50 32.76 1x45 s PRO 70 CO 0.52 -1.52 1.96 1.25 0.04 0.00 0.00 177.00 179.26 1x45 h LEU 71 N -0.74 0.83 -0.25 -3.56 5.85 -1.93 -0.95 115.31 114.56 1x45 h LEU 71 Ca -0.45 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1x45 h LEU 71 Cb 1.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1x45 h LEU 71 CO 0.52 0.57 0.09 0.28 -0.34 0.00 0.00 178.44 179.56 1x45 h SER 72 N 0.96 0.36 0.80 1.25 0.02 -1.99 -2.59 113.55 112.36 1x45 h SER 72 Ca 0.31 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1x45 h SER 72 Cb 0.03 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.49 1x45 h SER 72 CO -0.09 0.44 -0.38 0.74 -1.14 0.00 0.00 176.83 176.40 1x45 h THR 73 N 0.25 0.03 -0.98 -2.27 2.02 -1.81 -2.89 112.91 107.26 1x45 h THR 73 Ca 0.08 -0.20 0.33 0.00 0.77 0.00 0.00 66.41 67.39 1x45 h THR 73 Cb 0.21 0.04 -0.17 0.00 -1.74 0.00 0.00 68.15 66.49 1x45 h THR 73 CO -0.00 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.26 1x45 h GLN 75 N 0.12 0.56 -0.35 0.00 4.20 -1.35 -2.40 115.11 115.88 1x45 h GLN 75 Ca 0.71 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.44 1x45 h GLN 75 Cb 1.68 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.29 1x45 h GLN 75 CO -0.74 0.37 0.09 1.03 -0.67 0.00 0.00 178.83 178.90 1x45 h SER 76 N 0.57 0.06 -0.60 1.46 0.87 0.45 0.26 113.55 116.63 1x45 h SER 76 Ca 0.17 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 1x45 h SER 76 Cb -0.04 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1x45 h SER 76 CO -0.05 0.07 0.40 0.40 -0.53 0.00 0.00 176.83 177.11 1x45 h ILE 77 N 0.22 0.99 0.00 2.23 2.04 -1.13 -0.41 117.51 121.45 1x45 h ILE 77 Ca 0.16 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 1x45 h ILE 77 Cb 0.17 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1x45 h ILE 77 CO -0.20 0.10 -0.64 0.40 0.00 0.00 0.00 178.15 177.81 1x45 h ILE 78 N 0.56 0.88 0.00 -0.67 2.04 -0.75 -3.19 117.51 116.38 1x45 h ILE 78 Ca 0.26 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1x45 h ILE 78 Cb 0.30 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1x45 h ILE 78 CO -0.08 0.50 -0.08 0.29 0.00 0.00 0.00 178.15 178.79 1x45 n LYS 79 N -3.19 0.13 -0.27 2.37 5.02 0.80 -3.25 118.16 119.77 1x45 n LYS 79 Ca 0.01 0.09 0.07 0.00 -2.02 0.00 0.00 58.31 56.46 1x45 n LYS 79 Cb 0.76 -1.64 0.20 0.00 -0.02 0.00 0.00 35.03 34.33 1x45 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x45 n GLY 80 N 1.41 1.25 0.86 0.72 0.00 -0.40 -3.77 105.19 105.26 1x45 n GLY 80 Ca 0.06 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1x45 n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x45 n LEU 81 N 0.71 2.71 -0.32 0.99 4.77 -1.20 -4.37 117.00 120.29 1x45 n LEU 81 Ca 0.15 -0.91 0.05 0.00 -0.03 0.00 0.00 56.01 55.27 1x45 n LEU 81 Cb 0.44 -0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.72 1x45 n LEU 81 CO 0.11 0.45 1.17 0.50 -1.33 0.00 0.00 177.39 178.29 1x45 h LYS 82 N 4.23 0.81 -0.00 3.23 3.64 -1.73 0.31 116.57 127.06 1x45 h LYS 82 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1x45 h LYS 82 Cb 0.91 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1x45 h LYS 82 CO 0.00 0.54 -0.02 0.09 -2.27 0.00 0.00 179.45 177.79 1x45 n ASN 83 N -4.72 0.48 -4.26 4.20 3.02 -1.26 -1.32 115.26 111.40 1x45 n ASN 83 Ca 0.16 -1.02 -0.41 0.00 -0.03 0.00 0.00 54.58 53.28 1x45 n ASN 83 Cb 0.33 -0.03 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x45 s GLN 84 N -2.10 2.61 0.07 3.52 -0.21 0.11 -4.78 119.66 118.86 1x45 s GLN 84 Ca 0.41 -1.53 -0.30 0.00 0.02 0.00 0.00 55.36 53.96 1x45 s GLN 84 Cb 0.21 -3.85 -0.15 0.00 1.00 0.00 0.00 33.01 30.22 1x45 s GLN 84 CO 0.38 -1.03 1.47 0.66 -2.12 0.00 0.00 175.29 174.65 1x45 h SER 85 N 8.45 -1.14 -3.58 5.90 4.64 -1.77 -3.39 113.55 122.66 1x45 h SER 85 Ca -0.23 0.08 -0.71 0.00 -0.47 0.00 0.00 61.79 60.47 1x45 h SER 85 Cb 1.08 0.36 -0.23 0.00 -0.31 0.00 0.00 62.40 63.31 1x45 h SER 85 CO 0.80 -0.58 -0.49 -0.60 -0.87 0.00 0.00 176.83 175.08 1x45 s ARG 86 N -5.39 2.97 -0.06 4.77 3.52 -1.26 -0.56 118.95 122.94 1x45 s ARG 86 Ca -0.15 -0.99 0.04 0.00 -0.13 0.00 0.00 55.73 54.50 1x45 s ARG 86 Cb 0.03 -3.79 -0.02 0.00 -1.56 0.00 0.00 34.95 29.61 1x45 s ARG 86 CO 0.50 -0.66 -0.17 0.08 -0.81 0.00 0.00 175.30 174.24 1x45 s VAL 87 N 1.61 2.83 -0.20 7.11 1.01 -1.11 -4.99 120.40 126.66 1x45 s VAL 87 Ca 0.03 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1x45 s VAL 87 Cb -0.19 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1x45 s VAL 87 CO 0.08 0.58 0.10 -0.75 0.00 0.00 0.00 175.10 175.10 1x45 s LYS 88 N -0.50 4.03 -0.03 2.72 2.20 -1.26 -1.62 119.74 125.29 1x45 s LYS 88 Ca 0.06 -0.30 -0.03 0.00 -0.36 0.00 0.00 55.97 55.34 1x45 s LYS 88 Cb -0.12 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1x45 s LYS 88 CO 0.01 0.23 0.09 -0.51 -0.36 0.00 0.00 175.35 174.81 1x45 s LEU 89 N 0.52 1.69 -0.27 5.43 1.43 0.65 0.76 118.68 128.89 1x45 s LEU 89 Ca 0.05 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 1x45 s LEU 89 Cb -0.12 0.33 -0.03 0.00 0.03 0.00 0.00 46.19 46.40 1x45 s LEU 89 CO 0.00 -0.08 0.46 0.21 0.23 0.00 0.00 176.35 177.17 1x45 s ASN 90 N -0.20 6.36 0.06 2.29 3.04 -0.99 0.37 114.94 125.87 1x45 s ASN 90 Ca -0.03 0.40 0.04 0.00 0.04 0.00 0.00 52.86 53.31 1x45 s ASN 90 Cb -0.02 -2.25 -0.04 0.00 -1.54 0.00 0.00 41.25 37.40 1x45 s ASN 90 CO 0.00 -0.26 -0.02 -0.63 -3.04 0.00 0.00 177.10 173.15 1x45 s ILE 91 N 2.23 3.94 -0.21 -5.21 -1.09 -0.73 0.42 121.20 120.55 1x45 s ILE 91 Ca 0.19 -0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 57.68 1x45 s ILE 91 Cb -0.16 -2.83 0.10 0.00 -1.58 0.00 0.00 42.46 38.00 1x45 s ILE 91 CO 0.10 0.22 0.23 -0.69 -1.23 0.00 0.00 174.94 173.57 1x45 s VAL 92 N -1.21 -0.34 -0.42 2.92 1.01 0.12 -1.56 120.40 120.92 1x45 s VAL 92 Ca 0.23 -0.16 -0.38 0.00 0.00 0.00 0.00 61.98 61.67 1x45 s VAL 92 Cb -0.12 -0.72 -0.16 0.00 0.00 0.00 0.00 36.38 35.39 1x45 s VAL 92 CO 0.14 -0.23 1.56 -0.24 0.00 0.00 0.00 175.10 176.33 1x45 n SER 93 N 5.32 0.81 -3.76 3.32 2.88 -1.26 -2.37 113.62 118.56 1x45 n SER 93 Ca -0.05 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1x45 n SER 93 Cb 0.49 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1x45 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x45 n GLY 94 N 4.83 -3.19 3.65 0.46 0.00 -1.23 -4.82 105.19 104.90 1x45 n GLY 94 Ca 0.36 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1x45 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x45 s PRO 95 N -0.38 4.09 0.28 1.61 0.04 -1.26 -5.00 135.00 134.38 1x45 s PRO 95 Ca 0.00 1.92 0.11 0.00 0.04 0.00 0.00 61.00 63.07 1x45 s PRO 95 Cb 0.00 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 1x45 s PRO 95 CO 0.00 -0.93 -0.12 -1.54 0.04 0.00 0.00 177.00 174.45 1x45 s SER 96 N 3.24 3.92 0.10 6.66 1.04 -1.26 -5.10 113.70 122.29 1x45 s SER 96 Ca 0.68 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 56.25 1x45 s SER 96 Cb -0.28 -0.48 -0.03 0.00 0.10 0.00 0.00 66.02 65.33 1x45 s SER 96 CO 0.26 -0.00 -0.15 -0.55 0.98 0.00 0.00 173.24 173.77 1x45 s SER 97 N -3.58 1.95 0.00 7.02 0.15 -1.26 -5.23 113.70 112.75 1x45 s SER 97 Ca 0.31 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1x45 s SER 97 Cb -0.05 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1x45 s SER 97 CO 0.17 -0.09 0.40 0.61 1.20 0.00 0.00 173.24 175.52