#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x45 n SER 2 N 0.00 1.67 -4.55 1.61 2.88 -1.26 -4.86 113.62 109.10 1x45 n SER 2 Ca 0.00 0.17 -0.30 0.00 -1.33 0.00 0.00 58.87 57.41 1x45 n SER 2 Cb 0.00 -0.53 -0.04 0.00 -0.75 0.00 0.00 64.21 62.89 1x45 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x45 s SER 3 N -6.61 4.71 0.00 -3.46 0.01 -1.26 -4.08 113.70 103.01 1x45 s SER 3 Ca -0.28 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1x45 s SER 3 Cb 0.10 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1x45 s SER 3 CO 0.38 -2.91 0.00 0.61 0.41 0.00 0.00 173.24 171.73 1x45 n GLY 4 N 6.24 -0.86 3.78 3.44 0.00 -1.26 -5.05 105.19 111.47 1x45 n GLY 4 Ca 0.34 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1x45 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 s SER 5 N 0.00 6.96 -0.26 1.61 0.01 -1.26 -4.91 113.70 115.86 1x45 s SER 5 Ca 0.00 1.96 -0.10 0.00 1.31 0.00 0.00 55.95 59.12 1x45 s SER 5 Cb 0.00 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.75 1x45 s SER 5 CO 0.00 -0.34 0.58 -0.55 0.41 0.00 0.00 173.24 173.33 1x45 s SER 6 N -1.59 -0.82 0.00 2.44 0.15 -1.26 -3.81 113.70 108.80 1x45 s SER 6 Ca 0.55 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1x45 s SER 6 Cb -0.20 1.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.82 1x45 s SER 6 CO 0.26 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1x45 n GLY 7 N 5.08 -0.36 3.74 9.45 0.00 -0.25 -4.99 105.19 117.86 1x45 n GLY 7 Ca -0.14 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1x45 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x45 s ASP 8 N -4.00 6.50 0.04 1.61 1.47 -1.26 -1.91 116.67 119.12 1x45 s ASP 8 Ca 0.00 2.81 0.07 0.00 1.18 0.00 0.00 52.55 56.61 1x45 s ASP 8 Cb 0.00 -2.63 -0.02 0.00 -0.34 0.00 0.00 42.92 39.93 1x45 s ASP 8 CO 0.00 -0.83 -0.19 -0.69 0.68 0.00 0.00 175.17 174.14 1x45 s VAL 9 N 0.14 1.54 -0.23 2.11 1.01 0.21 -4.92 120.40 120.26 1x45 s VAL 9 Ca 0.63 -1.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1x45 s VAL 9 Cb -0.45 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 34.65 1x45 s VAL 9 CO 0.44 0.19 -0.02 -0.36 0.00 0.00 0.00 175.10 175.35 1x45 s PHE 10 N -0.77 1.97 -0.54 5.22 0.08 -1.26 -0.17 117.98 122.52 1x45 s PHE 10 Ca 0.06 -1.49 -0.20 0.00 0.12 0.00 0.00 56.93 55.42 1x45 s PHE 10 Cb -0.08 -1.43 0.07 0.00 -0.57 0.00 0.00 43.02 41.01 1x45 s PHE 10 CO 0.01 -0.73 0.68 0.42 -0.10 0.00 0.00 175.22 175.51 1x45 s ILE 11 N 1.54 4.80 -0.43 0.64 -1.09 -0.58 -4.93 121.20 121.14 1x45 s ILE 11 Ca -0.04 -0.59 -0.22 0.00 -2.23 0.00 0.00 60.65 57.58 1x45 s ILE 11 Cb -0.18 -4.39 0.02 0.00 -1.58 0.00 0.00 42.46 36.33 1x45 s ILE 11 CO -0.07 -0.95 0.71 -1.61 -1.23 0.00 0.00 174.94 171.78 1x45 s GLU 12 N 2.80 3.39 0.20 2.79 2.02 -1.26 -2.99 118.70 125.65 1x45 s GLU 12 Ca 0.15 -0.20 0.02 0.00 0.02 0.00 0.00 54.97 54.96 1x45 s GLU 12 Cb -0.20 -3.93 -0.01 0.00 0.10 0.00 0.00 34.13 30.10 1x45 s GLU 12 CO 0.11 -1.02 0.07 0.36 0.02 0.00 0.00 175.26 174.79 1x45 n LYS 13 N 6.43 0.79 -3.55 1.61 2.85 0.63 -4.97 118.16 121.95 1x45 n LYS 13 Ca 0.00 -1.67 -0.41 0.00 -1.05 0.00 0.00 58.31 55.18 1x45 n LYS 13 Cb 0.48 0.89 -0.10 0.00 -0.65 0.00 0.00 35.03 35.65 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 -2.76 2.81 0.24 -1.58 -0.21 -1.26 -4.46 119.66 112.45 1x45 s GLN 14 Ca 0.10 -1.20 -0.14 0.00 0.02 0.00 0.00 55.36 54.14 1x45 s GLN 14 Cb 0.00 -3.83 -0.10 0.00 1.00 0.00 0.00 33.01 30.08 1x45 s GLN 14 CO 0.07 -0.81 0.09 1.63 -2.12 0.00 0.00 175.29 174.14 1x45 n LYS 15 N 5.03 0.00 0.00 2.91 5.02 -1.26 -2.31 118.16 127.55 1x45 n LYS 15 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1x45 n LYS 15 Cb 0.45 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1x45 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x45 n GLY 16 N 1.48 2.97 3.96 0.72 0.00 0.11 -4.98 105.19 109.44 1x45 n GLY 16 Ca 0.08 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 2.55 0.69 1.61 -1.05 -0.98 -4.89 118.70 116.64 1x45 s GLU 17 Ca 0.00 -0.57 -0.03 0.00 -0.15 0.00 0.00 54.97 54.22 1x45 s GLU 17 Cb 0.00 -2.41 0.09 0.00 -0.44 0.00 0.00 34.13 31.37 1x45 s GLU 17 CO 0.00 -0.78 0.97 0.96 0.95 0.00 0.00 175.26 177.36 1x45 s ILE 18 N -2.87 2.31 -2.00 1.83 -4.36 -1.26 -4.14 121.20 110.71 1x45 s ILE 18 Ca 0.57 -0.46 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 1x45 s ILE 18 Cb -0.10 -2.84 0.00 0.00 1.25 0.00 0.00 42.46 40.76 1x45 s ILE 18 CO 0.40 0.00 0.87 -0.11 0.24 0.00 0.00 174.94 176.35 1x45 n LEU 19 N -2.81 0.00 -3.65 0.37 7.94 -1.26 -4.57 117.00 113.02 1x45 n LEU 19 Ca 0.11 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.79 1x45 n LEU 19 Cb 0.60 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.49 1x45 n LEU 19 CO 0.46 0.00 -0.26 0.61 -1.11 0.00 0.00 177.39 177.09 1x45 n GLY 20 N 0.37 -0.12 3.25 -3.96 0.00 -1.26 -3.30 105.19 100.17 1x45 n GLY 20 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.56 0.07 -0.02 1.61 0.11 -1.26 -0.65 120.40 116.70 1x45 s VAL 21 Ca 0.14 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 58.71 1x45 s VAL 21 Cb -0.08 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 1x45 s VAL 21 CO 0.66 -0.30 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.21 1x45 s VAL 22 N -1.87 1.78 0.22 2.04 1.01 0.06 -4.94 120.40 118.70 1x45 s VAL 22 Ca -0.10 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.03 1x45 s VAL 22 Cb -0.03 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1x45 s VAL 22 CO 0.01 0.50 -0.22 0.27 0.00 0.00 0.00 175.10 175.65 1x45 s ILE 23 N -0.54 2.33 0.28 2.22 -4.36 -1.26 -0.18 121.20 119.70 1x45 s ILE 23 Ca 0.09 -2.13 -0.01 0.00 -0.26 0.00 0.00 60.65 58.34 1x45 s ILE 23 Cb -0.09 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.45 1x45 s ILE 23 CO -0.01 -0.22 0.31 0.68 0.24 0.00 0.00 174.94 175.94 1x45 s VAL 24 N -1.96 0.00 0.32 8.37 -7.23 0.13 -4.71 120.40 115.32 1x45 s VAL 24 Ca 0.23 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 1x45 s VAL 24 Cb -0.07 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 34.27 1x45 s VAL 24 CO 0.11 0.00 1.50 -1.61 -0.31 0.00 0.00 175.10 174.79 1x45 s GLU 25 N -3.66 4.16 0.00 4.82 0.41 -1.26 -1.29 118.70 121.88 1x45 s GLU 25 Ca 0.35 2.50 -0.04 0.00 -0.41 0.00 0.00 54.97 57.37 1x45 s GLU 25 Cb 0.03 -3.02 -0.17 0.00 -1.78 0.00 0.00 34.13 29.19 1x45 s GLU 25 CO 0.18 -0.52 2.68 0.43 -0.49 0.00 0.00 175.26 177.55 1x45 n SER 26 N 1.40 4.13 -2.00 -0.19 7.64 -1.26 -4.64 113.62 118.68 1x45 n SER 26 Ca 0.04 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.69 1x45 n SER 26 Cb 0.39 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 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 2.41 -0.37 2.94 0.23 0.00 -1.26 -1.07 105.19 108.07 1x45 n GLY 27 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 1x45 n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1x45 n TRP 28 N -1.93 -0.99 0.00 1.61 7.02 -1.26 -4.69 117.44 117.19 1x45 n TRP 28 Ca 0.00 0.30 0.00 0.00 -1.02 0.00 0.00 57.50 56.78 1x45 n TRP 28 Cb 0.37 -1.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.21 1x45 n TRP 28 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1x45 n GLY 29 N -0.68 -0.21 2.91 6.99 0.00 -0.24 -4.98 105.19 108.98 1x45 n GLY 29 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1x45 n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x45 n SER 30 N -2.49 -2.06 -0.29 1.61 3.41 -1.26 -4.75 113.62 107.79 1x45 n SER 30 Ca 0.00 0.80 -0.07 0.00 -0.26 0.00 0.00 58.87 59.34 1x45 n SER 30 Cb 0.00 -0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 63.09 1x45 n SER 30 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1x45 n ILE 31 N -0.61 -0.47 -3.46 -1.33 -0.00 -1.26 -2.91 119.36 109.32 1x45 n ILE 31 Ca 0.12 1.69 -0.43 0.00 -0.00 0.00 0.00 62.75 64.12 1x45 n ILE 31 Cb 0.31 -2.09 -0.06 0.00 -0.00 0.00 0.00 39.64 37.80 1x45 n ILE 31 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1x45 s LEU 32 N -9.76 6.07 -0.98 1.39 2.01 -1.26 -5.01 118.68 111.14 1x45 s LEU 32 Ca -0.08 -2.31 -0.24 0.00 0.01 0.00 0.00 54.13 51.50 1x45 s LEU 32 Cb 0.08 -2.09 -0.06 0.00 0.01 0.00 0.00 46.19 44.13 1x45 s LEU 32 CO 0.44 -0.63 1.94 -2.16 1.01 0.00 0.00 176.35 176.95 1x45 s PRO 33 N 0.77 2.55 0.00 1.29 0.04 -1.15 -4.71 135.00 133.78 1x45 s PRO 33 Ca 0.11 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1x45 s PRO 33 Cb -0.21 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.22 1x45 s PRO 33 CO -0.03 -3.53 0.00 0.25 0.04 0.00 0.00 177.00 173.73 1x45 n THR 34 N 7.85 0.00 -3.64 1.26 -2.24 -1.26 -3.62 114.28 112.64 1x45 n THR 34 Ca 0.41 0.14 -0.04 0.00 -2.27 0.00 0.00 64.05 62.30 1x45 n THR 34 Cb 0.47 -1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.34 0.00 0.13 2.28 -7.23 -1.26 -4.41 120.40 109.57 1x45 s VAL 35 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.22 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 -0.12 0.27 -0.31 0.00 0.00 175.10 174.94 1x45 s ILE 36 N -0.68 1.20 -0.02 -0.62 -4.36 -0.41 -0.47 121.20 115.85 1x45 s ILE 36 Ca 0.07 -1.83 -0.30 0.00 -0.26 0.00 0.00 60.65 58.33 1x45 s ILE 36 Cb -0.02 -1.61 -0.06 0.00 1.25 0.00 0.00 42.46 42.02 1x45 s ILE 36 CO -0.09 -0.56 1.53 -0.63 0.24 0.00 0.00 174.94 175.43 1x45 s ILE 37 N -2.63 3.58 -0.13 8.37 1.09 -0.71 0.18 121.20 130.97 1x45 s ILE 37 Ca 0.11 0.87 0.19 0.00 -1.10 0.00 0.00 60.65 60.72 1x45 s ILE 37 Cb -0.02 -3.56 -0.20 0.00 -1.06 0.00 0.00 42.46 37.62 1x45 s ILE 37 CO 0.02 -0.04 0.58 0.00 -0.10 0.00 0.00 174.94 175.40 1x45 n ALA 38 N 6.18 2.09 -3.55 9.38 0.00 0.75 -2.70 120.51 132.66 1x45 n ALA 38 Ca 0.15 -0.70 -0.07 0.00 0.00 0.00 0.00 53.44 52.82 1x45 n ALA 38 Cb 0.43 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 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 -5.37 -0.28 -0.05 0.00 2.47 -1.19 -5.00 114.94 105.52 1x45 s ASN 39 Ca -0.06 0.06 0.05 0.00 0.42 0.00 0.00 52.86 53.34 1x45 s ASN 39 Cb 0.09 0.29 -0.01 0.00 -1.45 0.00 0.00 41.25 40.17 1x45 s ASN 39 CO 0.84 -0.44 -0.22 -0.04 -3.72 0.00 0.00 177.10 173.52 1x45 s MET 40 N -2.56 2.20 0.40 0.43 -1.94 -1.26 -0.76 119.30 115.81 1x45 s MET 40 Ca 0.05 -0.78 -0.27 0.00 -1.71 0.00 0.00 55.69 52.98 1x45 s MET 40 Cb -0.01 -1.89 -0.10 0.00 2.01 0.00 0.00 34.83 34.84 1x45 s MET 40 CO -0.06 0.33 1.47 1.41 -0.01 0.00 0.00 175.02 178.16 1x45 s MET 41 N -0.10 3.98 -1.27 2.03 1.75 0.18 -4.87 119.30 121.00 1x45 s MET 41 Ca -0.03 2.54 -0.19 0.00 -1.25 0.00 0.00 55.69 56.76 1x45 s MET 41 Cb -0.13 -2.88 0.02 0.00 2.84 0.00 0.00 34.83 34.69 1x45 s MET 41 CO 0.03 -0.62 1.83 0.72 -0.65 0.00 0.00 175.02 176.32 1x45 n HIS 42 N 0.26 4.02 0.00 4.11 8.25 -1.26 -2.83 115.22 127.77 1x45 n HIS 42 Ca 0.02 -2.47 0.00 0.00 -0.26 0.00 0.00 57.72 55.02 1x45 n HIS 42 Cb 0.40 -2.61 0.00 0.00 1.12 0.00 0.00 29.99 28.90 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x45 n GLY 43 N 5.39 1.73 3.52 -1.41 0.00 -1.26 -5.14 105.19 108.02 1x45 n GLY 43 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.16 0.10 0.25 -0.02 0.00 -1.13 -4.94 105.19 99.29 1x45 n GLY 44 Ca 0.00 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 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 0.79 -0.34 1.61 0.13 -1.81 -2.37 132.00 130.01 1x45 h PRO 45 Ca -0.32 -0.41 -0.12 0.00 -0.87 0.00 0.00 66.00 64.27 1x45 h PRO 45 Cb 1.10 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1x45 h PRO 45 CO 0.31 1.04 -0.27 0.00 -0.23 0.00 0.00 178.00 178.86 1x45 h ALA 46 N 0.90 0.49 -0.09 -0.56 0.00 -1.75 0.48 119.26 118.74 1x45 h ALA 46 Ca 0.05 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1x45 h ALA 46 Cb 0.96 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1x45 h ALA 46 CO 0.09 0.50 -0.28 1.49 0.00 0.00 0.00 179.25 181.05 1x45 h GLU 47 N 0.57 0.16 0.07 0.00 4.57 -1.74 -2.96 114.58 115.25 1x45 h GLU 47 Ca 0.06 -0.05 -0.30 0.00 -1.18 0.00 0.00 59.36 57.89 1x45 h GLU 47 Cb 0.84 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1x45 h GLU 47 CO 0.07 0.44 -1.61 0.87 -1.18 0.00 0.00 179.01 177.60 1x45 h LYS 48 N 0.14 0.16 -0.98 1.92 1.57 -1.30 -3.34 116.57 114.74 1x45 h LYS 48 Ca 0.02 -0.27 0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1x45 h LYS 48 Cb 0.58 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.91 1x45 h LYS 48 CO 0.04 0.94 0.61 0.66 -0.57 0.00 0.00 179.45 181.14 1x45 h SER 49 N 0.04 0.89 -0.42 0.86 4.64 0.11 -3.45 113.55 116.23 1x45 h SER 49 Ca -0.26 0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 60.93 1x45 h SER 49 Cb 2.00 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 63.89 1x45 h SER 49 CO 0.12 0.47 -0.16 0.61 -0.87 0.00 0.00 176.83 177.00 1x45 n GLY 50 N -1.34 0.88 0.09 -0.77 0.00 -1.14 -4.82 105.19 98.09 1x45 n GLY 50 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 0.06 0.00 -5.49 1.61 1.79 -1.88 -3.46 116.57 109.19 1x45 h LYS 51 Ca -0.18 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.65 1x45 h LYS 51 Cb 1.05 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.60 1x45 h LYS 51 CO 0.26 0.78 -0.42 -0.48 -1.08 0.00 0.00 179.45 178.51 1x45 s LEU 52 N -6.59 2.43 -0.19 2.94 -0.00 -1.26 -4.98 118.68 111.02 1x45 s LEU 52 Ca 0.02 -1.50 -0.20 0.00 -0.00 0.00 0.00 54.13 52.45 1x45 s LEU 52 Cb 0.09 -0.91 0.05 0.00 -0.00 0.00 0.00 46.19 45.43 1x45 s LEU 52 CO 0.79 -0.99 0.55 0.20 -0.00 0.00 0.00 176.35 176.90 1x45 s ASN 53 N -4.07 -0.57 -0.53 1.48 0.02 -1.26 -5.07 114.94 104.95 1x45 s ASN 53 Ca 0.16 1.05 -0.40 0.00 -1.02 0.00 0.00 52.86 52.66 1x45 s ASN 53 Cb -0.00 1.07 -0.17 0.00 0.02 0.00 0.00 41.25 42.16 1x45 s ASN 53 CO 0.10 -0.22 2.23 -0.38 0.02 0.00 0.00 177.10 178.85 1x45 n ILE 54 N 2.62 0.04 0.00 0.60 2.08 -1.26 -0.27 119.36 123.17 1x45 n ILE 54 Ca -0.14 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1x45 n ILE 54 Cb 0.56 -0.84 0.00 0.00 -0.75 0.00 0.00 39.64 38.62 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 7.10 0.84 3.72 7.39 0.00 -1.10 -5.01 105.19 118.13 1x45 n GLY 55 Ca 0.53 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.70 4.10 0.18 1.61 1.11 0.63 -3.84 116.67 119.75 1x45 s ASP 56 Ca 0.00 2.42 0.10 0.00 0.18 0.00 0.00 52.55 55.24 1x45 s ASP 56 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1x45 s ASP 56 CO 0.00 -2.33 -0.13 0.00 1.18 0.00 0.00 175.17 173.88 1x45 s GLN 57 N -3.86 1.91 -0.33 8.23 -2.07 -1.07 -1.73 119.66 120.74 1x45 s GLN 57 Ca 0.76 -1.34 -0.08 0.00 -1.82 0.00 0.00 55.36 52.88 1x45 s GLN 57 Cb -0.31 -2.07 0.02 0.00 -1.09 0.00 0.00 33.01 29.56 1x45 s GLN 57 CO 0.46 0.42 0.13 0.42 -1.32 0.00 0.00 175.29 175.40 1x45 s ILE 58 N -1.70 4.16 0.16 3.63 1.01 0.38 0.19 121.20 129.03 1x45 s ILE 58 Ca 0.24 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 1x45 s ILE 58 Cb -0.09 -3.26 0.04 0.00 0.01 0.00 0.00 42.46 39.16 1x45 s ILE 58 CO 0.14 -0.10 1.67 0.24 0.00 0.00 0.00 174.94 176.88 1x45 h MET 59 N 8.30 0.86 -3.20 2.79 2.86 0.22 -3.39 114.93 123.37 1x45 h MET 59 Ca -0.27 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.15 1x45 h MET 59 Cb 1.11 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.61 1x45 h MET 59 CO 0.62 0.81 0.15 -1.54 1.06 0.00 0.00 176.91 178.02 1x45 s SER 60 N -6.19 -0.04 -0.29 1.22 1.04 -1.23 -2.67 113.70 105.54 1x45 s SER 60 Ca -0.13 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 1x45 s SER 60 Cb 0.12 0.74 0.09 0.00 0.10 0.00 0.00 66.02 67.08 1x45 s SER 60 CO 0.80 -1.43 0.08 -0.63 0.98 0.00 0.00 173.24 173.04 1x45 s ILE 61 N -3.30 0.85 -1.65 -1.02 1.01 -0.74 -2.08 121.20 114.27 1x45 s ILE 61 Ca 0.16 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1x45 s ILE 61 Cb -0.04 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1x45 s ILE 61 CO 0.10 -0.59 0.00 0.59 0.00 0.00 0.00 174.94 175.04 1x45 n ASN 62 N 4.87 -5.14 0.00 3.58 3.02 0.23 -1.87 115.26 119.95 1x45 n ASN 62 Ca -0.03 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1x45 n ASN 62 Cb 0.43 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 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 -0.93 0.98 3.10 7.41 0.00 -1.26 -5.03 105.19 109.45 1x45 n GLY 63 Ca -0.20 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 3.75 0.34 2.61 2.01 -0.78 -5.08 115.64 116.50 1x45 s THR 64 Ca 0.00 -2.90 -0.27 0.00 0.31 0.00 0.00 61.69 58.84 1x45 s THR 64 Cb 0.00 -3.45 -0.13 0.00 0.01 0.00 0.00 72.50 68.93 1x45 s THR 64 CO 0.00 -0.87 1.05 -0.24 -0.69 0.00 0.00 174.62 173.87 1x45 n SER 65 N 3.56 1.50 -0.04 3.53 2.88 -1.26 -1.79 113.62 122.00 1x45 n SER 65 Ca 0.07 1.14 -0.01 0.00 -1.33 0.00 0.00 58.87 58.74 1x45 n SER 65 Cb 0.38 -1.34 -0.09 0.00 -0.75 0.00 0.00 64.21 62.41 1x45 n SER 65 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x45 n LEU 66 N 0.93 0.00 -4.68 2.46 4.77 -1.09 -4.90 117.00 114.49 1x45 n LEU 66 Ca 0.09 0.00 -0.64 0.00 -0.03 0.00 0.00 56.01 55.43 1x45 n LEU 66 Cb 0.35 0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1x45 n LEU 66 CO 0.59 0.18 1.03 0.55 -1.33 0.00 0.00 177.39 178.41 1x45 n VAL 67 N -2.24 0.04 0.00 4.08 3.14 -1.26 0.25 118.33 122.33 1x45 n VAL 67 Ca -0.13 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1x45 n VAL 67 Cb 0.67 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 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 3.40 3.06 3.75 7.55 0.00 -1.24 -5.01 105.19 116.70 1x45 n GLY 68 Ca 0.27 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1x45 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x45 s LEU 69 N 0.00 3.60 0.69 0.99 1.43 0.14 -4.99 118.68 120.54 1x45 s LEU 69 Ca 0.00 2.43 -0.14 0.00 -1.03 0.00 0.00 54.13 55.39 1x45 s LEU 69 Cb 0.00 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.64 1x45 s LEU 69 CO 0.00 -1.76 1.10 -2.16 0.23 0.00 0.00 176.35 173.76 1x45 s PRO 70 N -3.43 2.64 0.35 1.29 0.04 -1.26 -4.79 135.00 129.84 1x45 s PRO 70 Ca 0.78 1.32 0.05 0.00 0.04 0.00 0.00 61.00 63.19 1x45 s PRO 70 Cb -0.32 -1.93 0.70 0.00 0.04 0.00 0.00 34.50 32.99 1x45 s PRO 70 CO 0.36 -1.37 1.95 1.25 0.04 0.00 0.00 177.00 179.24 1x45 h LEU 71 N -0.31 0.71 -0.17 -3.56 5.85 -1.94 -0.42 115.31 115.46 1x45 h LEU 71 Ca -0.46 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1x45 h LEU 71 Cb 1.24 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1x45 h LEU 71 CO 0.53 0.46 0.05 0.28 -0.34 0.00 0.00 178.44 179.43 1x45 h SER 72 N 0.81 0.25 0.50 1.25 0.02 -2.00 -2.29 113.55 112.09 1x45 h SER 72 Ca 0.32 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1x45 h SER 72 Cb 0.23 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1x45 h SER 72 CO -0.11 0.39 -0.24 0.74 -1.14 0.00 0.00 176.83 176.47 1x45 h THR 73 N 0.10 0.44 -0.89 -2.27 2.02 -1.78 -2.51 112.91 108.02 1x45 h THR 73 Ca 0.06 -0.33 0.24 0.00 0.77 0.00 0.00 66.41 67.15 1x45 h THR 73 Cb 0.23 0.57 -0.14 0.00 -1.74 0.00 0.00 68.15 67.07 1x45 h THR 73 CO -0.00 0.05 0.31 0.00 0.37 0.00 0.00 175.52 176.25 1x45 h GLN 75 N 0.27 0.67 -0.63 0.00 4.20 -1.31 -2.80 115.11 115.52 1x45 h GLN 75 Ca 0.57 -0.09 0.08 0.00 0.06 0.00 0.00 58.65 59.27 1x45 h GLN 75 Cb 1.15 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 1x45 h GLN 75 CO -0.61 0.55 0.29 1.03 -0.67 0.00 0.00 178.83 179.41 1x45 h SER 76 N 0.63 0.36 -0.12 1.46 0.87 -0.13 0.86 113.55 117.48 1x45 h SER 76 Ca 0.17 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1x45 h SER 76 Cb 0.08 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1x45 h SER 76 CO -0.02 0.22 0.15 0.40 -0.53 0.00 0.00 176.83 177.05 1x45 h ILE 77 N 0.51 0.45 0.00 2.23 2.04 -1.11 0.15 117.51 121.78 1x45 h ILE 77 Ca 0.30 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.15 1x45 h ILE 77 Cb 0.31 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1x45 h ILE 77 CO -0.25 0.00 -0.73 0.40 0.00 0.00 0.00 178.15 177.56 1x45 h ILE 78 N 0.00 0.03 0.00 -0.67 2.04 -0.77 -3.30 117.51 114.84 1x45 h ILE 78 Ca 0.06 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.80 1x45 h ILE 78 Cb 0.36 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1x45 h ILE 78 CO -0.00 0.02 -0.32 0.11 0.00 0.00 0.00 178.15 177.95 1x45 h LYS 79 N 0.00 0.00 -0.89 2.37 1.57 0.08 -3.05 116.57 116.65 1x45 h LYS 79 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1x45 h LYS 79 Cb 1.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1x45 h LYS 79 CO 0.00 0.32 0.07 0.41 -0.57 0.00 0.00 179.45 179.69 1x45 n GLY 80 N 0.52 2.34 0.00 3.86 0.00 -1.10 -3.59 105.19 107.23 1x45 n GLY 80 Ca 0.01 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 0.13 0.73 -0.37 0.99 4.77 -1.15 -4.47 117.00 117.63 1x45 n LEU 81 Ca 0.14 -0.48 0.05 0.00 -0.03 0.00 0.00 56.01 55.69 1x45 n LEU 81 Cb 0.72 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 42.02 1x45 n LEU 81 CO 0.16 0.18 1.25 0.50 -1.33 0.00 0.00 177.39 178.15 1x45 h LYS 82 N 0.00 1.05 -0.88 3.23 3.64 -1.72 0.14 116.57 122.03 1x45 h LYS 82 Ca 0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1x45 h LYS 82 Cb 0.39 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1x45 h LYS 82 CO 0.00 0.69 0.04 -1.71 -2.27 0.00 0.00 179.45 176.21 1x45 n ASN 83 N -4.57 2.78 -3.70 4.20 5.15 -1.26 0.05 115.26 117.91 1x45 n ASN 83 Ca 0.18 -2.37 -0.30 0.00 -0.60 0.00 0.00 54.58 51.49 1x45 n ASN 83 Cb 0.28 -0.58 -0.15 0.00 -0.53 0.00 0.00 39.78 38.81 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1x45 s GLN 84 N -1.54 0.66 0.12 1.20 -0.21 0.48 -4.88 119.66 115.49 1x45 s GLN 84 Ca 0.19 -1.04 -0.23 0.00 0.02 0.00 0.00 55.36 54.31 1x45 s GLN 84 Cb 0.15 -1.88 -0.06 0.00 1.00 0.00 0.00 33.01 32.22 1x45 s GLN 84 CO 0.05 -1.00 1.69 0.66 -2.12 0.00 0.00 175.29 174.57 1x45 h SER 85 N 8.07 -0.35 -3.62 5.90 4.64 -1.79 -3.39 113.55 123.01 1x45 h SER 85 Ca -0.14 0.06 -0.66 0.00 -0.47 0.00 0.00 61.79 60.58 1x45 h SER 85 Cb 1.01 0.16 -0.24 0.00 -0.31 0.00 0.00 62.40 63.02 1x45 h SER 85 CO 0.47 -0.16 -0.61 -0.60 -0.87 0.00 0.00 176.83 175.05 1x45 s ARG 86 N -6.16 3.38 -0.03 4.77 3.52 -1.26 -0.27 118.95 122.90 1x45 s ARG 86 Ca -0.14 -0.67 0.04 0.00 -0.13 0.00 0.00 55.73 54.83 1x45 s ARG 86 Cb 0.09 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1x45 s ARG 86 CO 0.67 -0.33 -0.14 0.08 -0.81 0.00 0.00 175.30 174.77 1x45 s VAL 87 N 1.57 1.17 -0.19 7.11 1.01 -1.16 -5.00 120.40 124.91 1x45 s VAL 87 Ca 0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1x45 s VAL 87 Cb -0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1x45 s VAL 87 CO 0.04 0.34 0.11 -0.75 0.00 0.00 0.00 175.10 174.84 1x45 s LYS 88 N 0.01 4.05 0.01 2.72 2.20 -1.26 -1.53 119.74 125.94 1x45 s LYS 88 Ca -0.01 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 1x45 s LYS 88 Cb -0.09 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1x45 s LYS 88 CO 0.01 0.35 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.83 1x45 s LEU 89 N 0.20 2.07 -0.31 5.43 1.43 0.76 0.74 118.68 129.01 1x45 s LEU 89 Ca 0.08 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 1x45 s LEU 89 Cb -0.11 0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.11 1x45 s LEU 89 CO -0.01 -0.09 0.38 0.21 0.23 0.00 0.00 176.35 177.07 1x45 s ASN 90 N -0.43 6.21 0.06 2.29 3.04 -0.88 0.66 114.94 125.89 1x45 s ASN 90 Ca -0.05 -0.01 0.03 0.00 0.04 0.00 0.00 52.86 52.88 1x45 s ASN 90 Cb -0.03 -2.21 -0.04 0.00 -1.54 0.00 0.00 41.25 37.44 1x45 s ASN 90 CO -0.00 -0.29 0.01 -0.63 -3.04 0.00 0.00 177.10 173.15 1x45 s ILE 91 N 2.07 4.13 -0.21 -5.21 -1.09 -0.80 0.92 121.20 121.01 1x45 s ILE 91 Ca 0.14 -0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 57.69 1x45 s ILE 91 Cb -0.16 -2.93 0.10 0.00 -1.58 0.00 0.00 42.46 37.89 1x45 s ILE 91 CO 0.11 0.21 0.23 -0.69 -1.23 0.00 0.00 174.94 173.57 1x45 s VAL 92 N -1.25 -0.34 -0.39 2.92 1.01 0.13 -1.10 120.40 121.38 1x45 s VAL 92 Ca 0.24 -0.13 -0.36 0.00 0.00 0.00 0.00 61.98 61.73 1x45 s VAL 92 Cb -0.12 -0.70 -0.16 0.00 0.00 0.00 0.00 36.38 35.41 1x45 s VAL 92 CO 0.16 -0.21 1.38 -0.24 0.00 0.00 0.00 175.10 176.19 1x45 n SER 93 N 5.32 0.85 -3.58 3.32 2.88 -1.25 -2.60 113.62 118.56 1x45 n SER 93 Ca -0.05 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1x45 n SER 93 Cb 0.49 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 3.94 -2.83 3.57 0.46 0.00 -1.25 -4.68 105.19 104.40 1x45 n GLY 94 Ca 0.30 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.16 2.53 0.09 1.61 0.04 -1.26 -4.91 135.00 132.94 1x45 s PRO 95 Ca 0.00 -0.67 0.03 0.00 0.04 0.00 0.00 61.00 60.40 1x45 s PRO 95 Cb 0.00 -5.14 -0.04 0.00 0.04 0.00 0.00 34.50 29.36 1x45 s PRO 95 CO 0.00 -3.64 -0.09 -1.54 0.04 0.00 0.00 177.00 171.77 1x45 s SER 96 N 7.36 1.28 -0.01 6.66 1.04 -1.26 -5.10 113.70 123.67 1x45 s SER 96 Ca 0.69 -0.83 -0.35 0.00 0.48 0.00 0.00 55.95 55.95 1x45 s SER 96 Cb -0.04 0.04 -0.13 0.00 0.10 0.00 0.00 66.02 65.98 1x45 s SER 96 CO 0.05 -0.31 1.72 -1.54 0.98 0.00 0.00 173.24 174.14 1x45 n SER 97 N 0.52 3.05 0.00 7.02 3.41 -1.26 -5.17 113.62 121.19 1x45 n SER 97 Ca -0.16 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1x45 n SER 97 Cb 0.58 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1x45 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49