#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x45 s SER 2 N 0.00 6.40 -0.33 1.61 1.04 -1.26 -5.08 113.70 116.08 1x45 s SER 2 Ca 0.00 0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.94 1x45 s SER 2 Cb 0.00 -2.07 0.10 0.00 0.10 0.00 0.00 66.02 64.14 1x45 s SER 2 CO 0.00 0.41 0.04 -0.55 0.98 0.00 0.00 173.24 174.12 1x45 s SER 3 N -1.03 4.63 0.00 7.02 0.15 -1.26 -4.99 113.70 118.21 1x45 s SER 3 Ca 0.15 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 54.78 1x45 s SER 3 Cb -0.12 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1x45 s SER 3 CO 0.04 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1x45 n GLY 4 N 4.35 1.01 3.85 9.45 0.00 -1.26 -4.71 105.19 117.87 1x45 n GLY 4 Ca 0.02 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.04 4.71 -0.33 1.61 0.01 -1.26 -5.02 113.70 113.37 1x45 s SER 5 Ca 0.00 -1.04 -0.28 0.00 1.31 0.00 0.00 55.95 55.94 1x45 s SER 5 Cb 0.00 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 1x45 s SER 5 CO 0.00 -0.80 2.00 -0.94 0.41 0.00 0.00 173.24 173.91 1x45 s SER 6 N -4.12 5.58 0.00 2.44 1.04 -1.26 -4.78 113.70 112.59 1x45 s SER 6 Ca 0.40 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.25 1x45 s SER 6 Cb -0.01 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1x45 s SER 6 CO 0.24 -1.94 0.00 0.61 0.98 0.00 0.00 173.24 173.12 1x45 n GLY 7 N 5.61 -0.57 3.71 7.32 0.00 0.09 -4.93 105.19 116.43 1x45 n GLY 7 Ca 0.26 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 6.56 0.05 1.61 1.47 -1.26 -1.41 116.67 119.68 1x45 s ASP 8 Ca 0.00 2.63 0.08 0.00 1.18 0.00 0.00 52.55 56.44 1x45 s ASP 8 Cb 0.00 -2.59 -0.03 0.00 -0.34 0.00 0.00 42.92 39.96 1x45 s ASP 8 CO 0.00 -0.85 -0.24 -0.69 0.68 0.00 0.00 175.17 174.07 1x45 s VAL 9 N 1.43 1.91 -0.25 2.11 1.01 0.18 -4.92 120.40 121.88 1x45 s VAL 9 Ca 0.71 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1x45 s VAL 9 Cb -0.44 -1.64 0.06 0.00 0.00 0.00 0.00 36.38 34.36 1x45 s VAL 9 CO 0.32 0.29 -0.08 -0.36 0.00 0.00 0.00 175.10 175.26 1x45 s PHE 10 N -0.80 2.84 -0.38 5.22 0.40 -1.26 -0.33 117.98 123.66 1x45 s PHE 10 Ca 0.10 -2.05 -0.19 0.00 -0.60 0.00 0.00 56.93 54.18 1x45 s PHE 10 Cb -0.09 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.68 1x45 s PHE 10 CO 0.02 -0.83 0.55 0.42 0.70 0.00 0.00 175.22 176.09 1x45 s ILE 11 N 1.24 4.96 -0.27 0.64 -1.09 -0.26 -4.94 121.20 121.48 1x45 s ILE 11 Ca -0.07 0.23 -0.13 0.00 -2.23 0.00 0.00 60.65 58.45 1x45 s ILE 11 Cb -0.19 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1x45 s ILE 11 CO -0.06 -0.35 0.29 -1.61 -1.23 0.00 0.00 174.94 171.98 1x45 s GLU 12 N 2.52 3.98 0.18 2.79 2.02 -1.26 -1.61 118.70 127.32 1x45 s GLU 12 Ca 0.20 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.07 1x45 s GLU 12 Cb -0.15 -3.66 -0.00 0.00 0.10 0.00 0.00 34.13 30.42 1x45 s GLU 12 CO 0.15 -0.23 0.20 0.36 0.02 0.00 0.00 175.26 175.76 1x45 n LYS 13 N 5.20 0.29 -3.99 1.61 2.85 0.19 -4.90 118.16 119.41 1x45 n LYS 13 Ca -0.11 -1.57 -0.31 0.00 -1.05 0.00 0.00 58.31 55.27 1x45 n LYS 13 Cb 0.51 1.40 -0.05 0.00 -0.65 0.00 0.00 35.03 36.24 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 -2.55 3.15 -0.02 -1.58 -0.21 -1.26 -4.20 119.66 112.99 1x45 s GLN 14 Ca 0.18 -0.55 -0.30 0.00 0.02 0.00 0.00 55.36 54.70 1x45 s GLN 14 Cb 0.00 -2.88 -0.05 0.00 1.00 0.00 0.00 33.01 31.08 1x45 s GLN 14 CO 0.13 0.60 1.39 0.15 -2.12 0.00 0.00 175.29 175.43 1x45 s LYS 15 N -2.36 4.28 0.00 2.91 1.02 -1.26 -3.16 119.74 121.17 1x45 s LYS 15 Ca 0.31 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.23 1x45 s LYS 15 Cb -0.13 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.58 1x45 s LYS 15 CO 0.24 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 1x45 n GLY 16 N 3.64 1.00 3.97 -3.33 0.00 -0.48 -4.96 105.19 105.03 1x45 n GLY 16 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 3.29 0.75 1.61 -1.05 -1.19 -4.92 118.70 117.19 1x45 s GLU 17 Ca 0.00 -0.74 -0.04 0.00 -0.15 0.00 0.00 54.97 54.03 1x45 s GLU 17 Cb 0.00 -2.79 0.12 0.00 -0.44 0.00 0.00 34.13 31.03 1x45 s GLU 17 CO 0.00 0.17 1.04 0.96 0.95 0.00 0.00 175.26 178.38 1x45 s ILE 18 N -2.17 2.17 -2.00 1.83 -4.36 -1.26 -4.19 121.20 111.22 1x45 s ILE 18 Ca 0.41 -0.44 0.08 0.00 -0.26 0.00 0.00 60.65 60.43 1x45 s ILE 18 Cb -0.09 -2.73 0.23 0.00 1.25 0.00 0.00 42.46 41.12 1x45 s ILE 18 CO 0.32 0.00 1.12 -0.11 0.24 0.00 0.00 174.94 176.51 1x45 n LEU 19 N -2.98 0.00 -3.76 0.37 7.94 -1.26 -4.50 117.00 112.81 1x45 n LEU 19 Ca 0.13 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.80 1x45 n LEU 19 Cb 0.60 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.48 1x45 n LEU 19 CO 0.45 0.00 -0.30 0.61 -1.11 0.00 0.00 177.39 177.04 1x45 n GLY 20 N 0.37 -0.12 3.35 -3.96 0.00 -1.26 -3.50 105.19 100.06 1x45 n GLY 20 Ca 0.06 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.72 -0.01 -0.08 1.61 0.11 -1.26 -1.21 120.40 115.84 1x45 s VAL 21 Ca 0.11 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.13 1x45 s VAL 21 Cb -0.06 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1x45 s VAL 21 CO 0.71 0.01 0.13 -0.69 -3.33 0.00 0.00 175.10 171.92 1x45 s VAL 22 N 0.53 5.28 0.16 2.04 1.01 0.24 -5.00 120.40 124.66 1x45 s VAL 22 Ca -0.02 0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.08 1x45 s VAL 22 Cb -0.04 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1x45 s VAL 22 CO -0.03 0.54 -0.22 0.27 0.00 0.00 0.00 175.10 175.66 1x45 s ILE 23 N -1.08 2.04 0.15 2.22 -4.36 -1.26 -0.09 121.20 118.82 1x45 s ILE 23 Ca 0.18 -1.89 -0.06 0.00 -0.26 0.00 0.00 60.65 58.62 1x45 s ILE 23 Cb -0.12 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 1x45 s ILE 23 CO 0.08 -0.17 0.20 0.68 0.24 0.00 0.00 174.94 175.96 1x45 s VAL 24 N -1.68 0.08 0.21 8.37 -7.23 0.07 -4.77 120.40 115.44 1x45 s VAL 24 Ca 0.16 -1.59 -0.32 0.00 -1.81 0.00 0.00 61.98 58.42 1x45 s VAL 24 Cb -0.08 -1.92 -0.14 0.00 0.56 0.00 0.00 36.38 34.80 1x45 s VAL 24 CO 0.07 -0.36 1.29 -0.62 -0.31 0.00 0.00 175.10 175.17 1x45 n GLU 25 N -0.17 1.62 -0.72 4.82 1.02 -1.26 -1.76 120.64 124.20 1x45 n GLU 25 Ca -0.07 0.58 -0.06 0.00 -0.02 0.00 0.00 57.16 57.59 1x45 n GLU 25 Cb 0.63 -2.16 -0.08 0.00 -0.02 0.00 0.00 31.44 29.81 1x45 n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x45 n SER 26 N 2.09 4.96 -3.33 1.62 2.88 -1.26 -4.68 113.62 115.90 1x45 n SER 26 Ca 0.13 -2.37 -0.22 0.00 -1.33 0.00 0.00 58.87 55.08 1x45 n SER 26 Cb 0.28 -1.20 0.02 0.00 -0.75 0.00 0.00 64.21 62.56 1x45 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x45 n GLY 27 N 2.06 0.11 2.51 0.46 0.00 -1.26 -4.24 105.19 104.82 1x45 n GLY 27 Ca 0.21 0.64 -0.20 0.00 0.00 0.00 0.00 46.02 46.67 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 0.47 0.13 0.00 1.61 7.02 -1.26 -3.32 117.44 122.09 1x45 n TRP 28 Ca -0.05 0.09 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1x45 n TRP 28 Cb 0.59 -0.80 0.00 0.00 -2.42 0.00 0.00 31.31 28.69 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 4.17 -0.36 3.51 6.99 0.00 -1.26 -5.12 105.19 113.13 1x45 n GLY 29 Ca 0.48 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 1x45 n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x45 n SER 30 N 0.00 -1.16 -0.07 1.61 7.64 -1.21 -4.87 113.62 115.56 1x45 n SER 30 Ca 0.00 0.31 -0.02 0.00 1.01 0.00 0.00 58.87 60.17 1x45 n SER 30 Cb 0.00 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 61.88 1x45 n SER 30 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1x45 n ILE 31 N -3.98 -0.11 -3.97 0.44 -0.00 -1.26 -3.58 119.36 106.90 1x45 n ILE 31 Ca 0.08 1.27 -0.31 0.00 -0.00 0.00 0.00 62.75 63.78 1x45 n ILE 31 Cb 0.53 -1.65 -0.14 0.00 -0.00 0.00 0.00 39.64 38.38 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 -6.47 4.73 -1.02 1.39 2.01 -1.26 -5.05 118.68 113.02 1x45 s LEU 32 Ca -0.02 -2.36 -0.24 0.00 0.01 0.00 0.00 54.13 51.52 1x45 s LEU 32 Cb 0.02 -1.66 -0.07 0.00 0.01 0.00 0.00 46.19 44.49 1x45 s LEU 32 CO 0.10 -0.36 1.94 -2.16 1.01 0.00 0.00 176.35 176.88 1x45 s PRO 33 N 0.63 2.52 0.00 1.29 0.04 -1.23 -4.72 135.00 133.53 1x45 s PRO 33 Ca 0.12 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.50 1x45 s PRO 33 Cb -0.21 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1x45 s PRO 33 CO -0.06 -3.64 0.00 0.25 0.04 0.00 0.00 177.00 173.59 1x45 n THR 34 N 7.85 0.00 -3.64 1.26 -2.24 -1.26 -3.93 114.28 112.32 1x45 n THR 34 Ca 0.42 0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 62.32 1x45 n THR 34 Cb 0.47 -1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 67.49 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 -0.31 0.00 0.14 2.28 -7.23 -1.26 -4.35 120.40 109.67 1x45 s VAL 35 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.23 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 -0.13 0.27 -0.31 0.00 0.00 175.10 174.93 1x45 s ILE 36 N -0.48 1.32 0.01 -0.62 -4.36 -0.72 0.05 121.20 116.40 1x45 s ILE 36 Ca 0.07 -1.89 -0.30 0.00 -0.26 0.00 0.00 60.65 58.26 1x45 s ILE 36 Cb -0.03 -1.69 -0.06 0.00 1.25 0.00 0.00 42.46 41.93 1x45 s ILE 36 CO -0.10 -0.55 1.38 -0.63 0.24 0.00 0.00 174.94 175.28 1x45 s ILE 37 N -2.65 3.71 -0.08 8.37 1.09 -0.67 -0.75 121.20 130.22 1x45 s ILE 37 Ca 0.13 1.11 0.21 0.00 -1.10 0.00 0.00 60.65 61.00 1x45 s ILE 37 Cb -0.02 -3.72 -0.29 0.00 -1.06 0.00 0.00 42.46 37.38 1x45 s ILE 37 CO 0.03 0.01 0.46 0.00 -0.10 0.00 0.00 174.94 175.34 1x45 n ALA 38 N 5.19 2.51 -3.57 9.38 0.00 0.88 -2.49 120.51 132.41 1x45 n ALA 38 Ca 0.13 -0.65 -0.08 0.00 0.00 0.00 0.00 53.44 52.84 1x45 n ALA 38 Cb 0.44 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 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 -4.81 -0.27 -0.03 0.00 2.47 -1.20 -4.99 114.94 106.10 1x45 s ASN 39 Ca -0.08 0.16 0.06 0.00 0.42 0.00 0.00 52.86 53.43 1x45 s ASN 39 Cb 0.12 0.25 -0.01 0.00 -1.45 0.00 0.00 41.25 40.16 1x45 s ASN 39 CO 0.88 -0.35 -0.21 -0.04 -3.72 0.00 0.00 177.10 173.67 1x45 s MET 40 N -1.91 1.89 0.93 0.43 -1.94 -1.26 -0.59 119.30 116.85 1x45 s MET 40 Ca 0.04 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.17 1x45 s MET 40 Cb -0.01 -1.73 0.13 0.00 2.01 0.00 0.00 34.83 35.24 1x45 s MET 40 CO -0.04 0.39 1.02 -0.12 -0.01 0.00 0.00 175.02 176.26 1x45 n MET 41 N 2.79 -0.48 -0.96 2.03 1.56 -0.35 -4.88 117.12 116.83 1x45 n MET 41 Ca -0.16 -0.08 -0.18 0.00 -0.27 0.00 0.00 57.70 57.01 1x45 n MET 41 Cb 0.53 -2.29 0.03 0.00 2.15 0.00 0.00 33.22 33.64 1x45 n MET 41 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1x45 n HIS 42 N -4.17 1.59 0.00 1.12 -0.00 -1.26 -4.10 115.22 108.39 1x45 n HIS 42 Ca 0.11 -2.00 0.00 0.00 0.46 0.00 0.00 57.72 56.29 1x45 n HIS 42 Cb 0.52 -1.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.38 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1x45 n GLY 43 N 0.37 0.00 3.21 1.57 0.00 -1.26 -5.15 105.19 103.93 1x45 n GLY 43 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 1.97 0.16 -0.02 0.00 -1.26 -4.97 105.19 101.08 1x45 n GLY 44 Ca 0.00 -2.21 0.01 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 -0.00 1.61 0.13 -1.79 -2.35 132.00 129.60 1x45 h PRO 45 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1x45 h PRO 45 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1x45 h PRO 45 CO 0.32 0.48 -0.07 0.00 -0.23 0.00 0.00 178.00 178.51 1x45 h ALA 46 N 1.52 0.01 -0.14 -0.56 0.00 -1.79 0.31 119.26 118.60 1x45 h ALA 46 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1x45 h ALA 46 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1x45 h ALA 46 CO 0.06 -0.05 0.00 1.49 0.00 0.00 0.00 179.25 180.75 1x45 h GLU 47 N -0.72 0.20 0.11 0.00 4.57 -1.78 -2.41 114.58 114.55 1x45 h GLU 47 Ca -0.01 -0.03 -0.30 0.00 -1.18 0.00 0.00 59.36 57.85 1x45 h GLU 47 Cb 0.85 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1x45 h GLU 47 CO 0.01 0.22 -1.47 0.87 -1.18 0.00 0.00 179.01 177.46 1x45 h LYS 48 N 0.20 0.23 -0.67 1.92 1.57 -1.47 -3.31 116.57 115.03 1x45 h LYS 48 Ca 0.05 -0.39 0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1x45 h LYS 48 Cb 0.14 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1x45 h LYS 48 CO 0.00 1.09 0.44 0.66 -0.57 0.00 0.00 179.45 181.08 1x45 h SER 49 N 0.06 0.66 -0.28 0.86 4.64 -0.45 -3.45 113.55 115.60 1x45 h SER 49 Ca -0.22 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.99 1x45 h SER 49 Cb 2.00 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.89 1x45 h SER 49 CO 0.16 0.45 -0.10 0.61 -0.87 0.00 0.00 176.83 177.08 1x45 n GLY 50 N -1.45 0.50 0.10 -0.77 0.00 -0.99 -4.80 105.19 97.80 1x45 n GLY 50 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 0.13 -5.64 1.61 1.79 -1.84 -3.43 116.57 109.18 1x45 h LYS 51 Ca -0.11 -0.16 -0.62 0.00 -2.18 0.00 0.00 60.65 57.57 1x45 h LYS 51 Cb 1.05 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.67 1x45 h LYS 51 CO 0.16 0.97 -0.37 -0.48 -1.08 0.00 0.00 179.45 178.65 1x45 s LEU 52 N -7.18 2.49 -0.02 2.94 -0.00 -1.26 -4.80 118.68 110.85 1x45 s LEU 52 Ca -0.02 -1.43 -0.23 0.00 -0.00 0.00 0.00 54.13 52.46 1x45 s LEU 52 Cb 0.10 -0.98 0.05 0.00 -0.00 0.00 0.00 46.19 45.36 1x45 s LEU 52 CO 0.83 -1.06 0.49 0.20 -0.00 0.00 0.00 176.35 176.81 1x45 s ASN 53 N -4.16 -0.42 -0.52 1.48 0.02 -1.26 -5.04 114.94 105.04 1x45 s ASN 53 Ca 0.22 0.37 -0.34 0.00 -1.02 0.00 0.00 52.86 52.08 1x45 s ASN 53 Cb -0.01 0.43 -0.14 0.00 0.02 0.00 0.00 41.25 41.55 1x45 s ASN 53 CO 0.14 -0.55 2.32 -0.38 0.02 0.00 0.00 177.10 178.64 1x45 n ILE 54 N 1.01 0.08 0.00 0.60 2.08 -1.26 -0.37 119.36 121.50 1x45 n ILE 54 Ca -0.20 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 62.86 1x45 n ILE 54 Cb 0.57 -1.42 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 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 6.60 1.04 3.66 7.39 0.00 -1.04 -5.01 105.19 117.84 1x45 n GLY 55 Ca 0.48 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 1x45 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x45 n ASP 56 N 0.00 1.21 -4.55 1.61 9.92 0.50 -4.15 116.55 121.09 1x45 n ASP 56 Ca 0.00 0.79 -0.28 0.00 -0.53 0.00 0.00 54.79 54.77 1x45 n ASP 56 Cb 0.00 -1.45 -0.10 0.00 -0.64 0.00 0.00 41.12 38.92 1x45 n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x45 s GLN 57 N -3.07 1.98 -0.32 -1.24 -2.07 -1.12 -1.67 119.66 112.14 1x45 s GLN 57 Ca 0.79 -1.20 -0.10 0.00 -1.82 0.00 0.00 55.36 53.03 1x45 s GLN 57 Cb -0.39 -2.17 0.00 0.00 -1.09 0.00 0.00 33.01 29.36 1x45 s GLN 57 CO 0.44 0.46 0.16 0.42 -1.32 0.00 0.00 175.29 175.46 1x45 s ILE 58 N -1.44 4.56 0.07 3.63 1.01 0.11 0.12 121.20 129.26 1x45 s ILE 58 Ca 0.22 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 1x45 s ILE 58 Cb -0.10 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.89 1x45 s ILE 58 CO 0.13 -0.00 1.44 0.24 0.00 0.00 0.00 174.94 176.75 1x45 h MET 59 N 8.36 0.45 -3.63 2.79 2.86 -0.39 -3.37 114.93 122.01 1x45 h MET 59 Ca -0.31 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.06 1x45 h MET 59 Cb 1.13 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.70 1x45 h MET 59 CO 0.63 0.72 -0.06 -1.54 1.06 0.00 0.00 176.91 177.71 1x45 s SER 60 N -6.10 0.12 -0.28 1.22 1.04 -1.24 -2.90 113.70 105.56 1x45 s SER 60 Ca -0.14 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.23 1x45 s SER 60 Cb 0.07 0.65 0.09 0.00 0.10 0.00 0.00 66.02 66.92 1x45 s SER 60 CO 0.76 -1.26 0.07 -0.63 0.98 0.00 0.00 173.24 173.17 1x45 s ILE 61 N -3.59 0.83 -1.74 -1.02 1.01 -0.14 -2.12 121.20 114.43 1x45 s ILE 61 Ca 0.23 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1x45 s ILE 61 Cb -0.02 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1x45 s ILE 61 CO 0.12 -0.54 0.00 0.59 0.00 0.00 0.00 174.94 175.11 1x45 n ASN 62 N 4.89 -5.23 0.00 3.58 3.02 0.22 -1.76 115.26 119.98 1x45 n ASN 62 Ca -0.04 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1x45 n ASN 62 Cb 0.43 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 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 -0.88 1.00 3.30 7.41 0.00 -1.26 -5.04 105.19 109.72 1x45 n GLY 63 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 4.08 0.22 2.61 2.01 -0.72 -5.07 115.64 116.77 1x45 s THR 64 Ca 0.00 -1.14 -0.31 0.00 0.31 0.00 0.00 61.69 60.55 1x45 s THR 64 Cb 0.00 -3.36 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 1x45 s THR 64 CO 0.00 -0.28 1.55 -0.44 -0.69 0.00 0.00 174.62 174.76 1x45 s SER 65 N 1.61 6.55 -0.20 3.53 0.01 -1.26 -0.97 113.70 122.97 1x45 s SER 65 Ca 0.01 2.72 0.16 0.00 1.31 0.00 0.00 55.95 60.14 1x45 s SER 65 Cb -0.20 -2.61 -0.23 0.00 0.21 0.00 0.00 66.02 63.18 1x45 s SER 65 CO 0.04 -0.82 0.04 0.18 0.41 0.00 0.00 173.24 173.09 1x45 n LEU 66 N 3.19 0.26 -4.58 2.44 4.77 -1.14 -4.88 117.00 117.05 1x45 n LEU 66 Ca 0.11 -0.01 -0.65 0.00 -0.03 0.00 0.00 56.01 55.43 1x45 n LEU 66 Cb 0.38 0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.73 1x45 n LEU 66 CO 0.62 0.52 1.34 0.55 -1.33 0.00 0.00 177.39 179.09 1x45 n VAL 67 N -2.76 0.00 0.00 4.08 3.14 -1.26 0.41 118.33 121.94 1x45 n VAL 67 Ca -0.33 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1x45 n VAL 67 Cb 1.12 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 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 5.16 3.01 3.76 7.55 0.00 -1.25 -5.04 105.19 118.38 1x45 n GLY 68 Ca 0.39 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 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 3.92 0.69 0.99 1.43 0.17 -4.99 118.68 120.88 1x45 s LEU 69 Ca 0.00 2.55 -0.14 0.00 -1.03 0.00 0.00 54.13 55.51 1x45 s LEU 69 Cb 0.00 -4.26 0.01 0.00 0.03 0.00 0.00 46.19 41.97 1x45 s LEU 69 CO 0.00 -1.28 1.11 -2.16 0.23 0.00 0.00 176.35 174.25 1x45 s PRO 70 N -2.82 2.67 0.50 1.29 0.04 -1.26 -4.78 135.00 130.63 1x45 s PRO 70 Ca 0.68 1.34 0.17 0.00 0.04 0.00 0.00 61.00 63.23 1x45 s PRO 70 Cb -0.35 -1.94 1.22 0.00 0.04 0.00 0.00 34.50 33.47 1x45 s PRO 70 CO 0.42 -1.34 2.06 1.25 0.04 0.00 0.00 177.00 179.43 1x45 h LEU 71 N -0.24 0.12 -0.17 -3.56 5.85 -1.94 -0.56 115.31 114.81 1x45 h LEU 71 Ca -0.46 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1x45 h LEU 71 Cb 1.24 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1x45 h LEU 71 CO 0.53 0.08 -0.20 0.77 -0.34 0.00 0.00 178.44 179.28 1x45 h SER 72 N 0.14 0.47 0.36 1.25 4.64 -1.99 -2.87 113.55 115.55 1x45 h SER 72 Ca 0.14 -0.50 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 1x45 h SER 72 Cb 0.40 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1x45 h SER 72 CO -0.02 0.88 -0.17 0.74 -0.87 0.00 0.00 176.83 177.38 1x45 h THR 73 N 0.08 0.61 -0.95 2.95 2.02 -1.72 -3.09 112.91 112.81 1x45 h THR 73 Ca 0.02 -0.50 0.26 0.00 0.77 0.00 0.00 66.41 66.96 1x45 h THR 73 Cb 0.76 0.85 -0.14 0.00 -1.74 0.00 0.00 68.15 67.88 1x45 h THR 73 CO 0.05 0.09 0.47 0.00 0.37 0.00 0.00 175.52 176.50 1x45 h GLN 75 N 0.39 -0.13 -0.45 0.00 4.20 -1.42 -2.15 115.11 115.55 1x45 h GLN 75 Ca 0.63 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.44 1x45 h GLN 75 Cb 1.30 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 29.03 1x45 h GLN 75 CO -0.56 -0.08 -0.05 1.03 -0.67 0.00 0.00 178.83 178.50 1x45 h SER 76 N -0.13 -0.28 -0.00 1.46 0.87 -0.89 0.54 113.55 115.11 1x45 h SER 76 Ca 0.13 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1x45 h SER 76 Cb 0.32 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1x45 h SER 76 CO -0.31 -0.10 0.12 0.40 -0.53 0.00 0.00 176.83 176.41 1x45 h ILE 77 N 0.06 0.02 0.00 2.23 2.04 -1.18 0.70 117.51 121.38 1x45 h ILE 77 Ca 0.22 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.73 1x45 h ILE 77 Cb 0.33 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1x45 h ILE 77 CO -0.41 0.00 -2.21 -0.38 0.00 0.00 0.00 178.15 175.15 1x45 n ILE 78 N -3.04 1.44 0.19 -0.67 5.41 0.11 -4.24 119.36 118.55 1x45 n ILE 78 Ca -0.03 -0.84 0.07 0.00 1.00 0.00 0.00 62.75 62.95 1x45 n ILE 78 Cb 0.18 -0.60 0.22 0.00 -0.71 0.00 0.00 39.64 38.73 1x45 n ILE 78 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1x45 h LYS 79 N 0.00 0.00 -0.03 0.38 2.10 0.14 -3.05 116.57 116.10 1x45 h LYS 79 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1x45 h LYS 79 Cb 2.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.51 1x45 h LYS 79 CO 0.04 0.31 0.00 0.41 -2.00 0.00 0.00 179.45 178.22 1x45 n GLY 80 N 0.77 -0.85 1.10 0.07 0.00 0.09 -3.17 105.19 103.20 1x45 n GLY 80 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.44 3.25 -0.20 0.99 4.77 -1.15 -4.37 117.00 119.86 1x45 n LEU 81 Ca 0.03 -1.44 -0.07 0.00 -0.03 0.00 0.00 56.01 54.49 1x45 n LEU 81 Cb 0.03 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1x45 n LEU 81 CO 0.02 0.72 1.08 0.50 -1.33 0.00 0.00 177.39 178.38 1x45 h LYS 82 N 4.08 0.77 -0.77 3.23 3.64 -1.71 -1.36 116.57 124.45 1x45 h LYS 82 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1x45 h LYS 82 Cb 0.91 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1x45 h LYS 82 CO 0.00 0.55 0.00 -1.71 -2.27 0.00 0.00 179.45 176.02 1x45 n ASN 83 N -4.65 2.00 -3.84 4.20 2.85 -1.26 -1.39 115.26 113.17 1x45 n ASN 83 Ca 0.04 -2.20 -0.29 0.00 -0.11 0.00 0.00 54.58 52.02 1x45 n ASN 83 Cb 0.05 -0.47 -0.13 0.00 1.24 0.00 0.00 39.78 40.47 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1x45 s GLN 84 N -1.50 1.85 0.09 1.20 -0.21 -0.51 -4.85 119.66 115.73 1x45 s GLN 84 Ca 0.14 -2.60 -0.18 0.00 0.02 0.00 0.00 55.36 52.74 1x45 s GLN 84 Cb 0.10 -2.98 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1x45 s GLN 84 CO 0.05 -1.18 1.28 0.45 -2.12 0.00 0.00 175.29 173.77 1x45 n SER 85 N 2.94 -0.60 -4.71 5.90 2.88 -1.26 -4.24 113.62 114.53 1x45 n SER 85 Ca 0.11 1.42 -0.35 0.00 -1.33 0.00 0.00 58.87 58.72 1x45 n SER 85 Cb 0.34 -0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1x45 n SER 85 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x45 s ARG 86 N -4.44 4.05 -0.01 -1.46 3.00 -1.26 0.55 118.95 119.38 1x45 s ARG 86 Ca -0.07 -0.25 0.01 0.00 -1.00 0.00 0.00 55.73 54.41 1x45 s ARG 86 Cb 0.06 -3.33 0.00 0.00 0.00 0.00 0.00 34.95 31.69 1x45 s ARG 86 CO 0.35 0.34 -0.01 0.08 0.00 0.00 0.00 175.30 176.05 1x45 s VAL 87 N 0.23 0.13 -0.21 7.11 1.01 -0.63 -5.00 120.40 123.05 1x45 s VAL 87 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1x45 s VAL 87 Cb -0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 1x45 s VAL 87 CO -0.01 0.06 0.24 -0.75 0.00 0.00 0.00 175.10 174.63 1x45 s LYS 88 N 0.16 4.16 0.00 2.72 2.20 -1.26 -1.11 119.74 126.61 1x45 s LYS 88 Ca -0.01 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1x45 s LYS 88 Cb -0.03 -3.49 -0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1x45 s LYS 88 CO -0.00 0.12 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.58 1x45 s LEU 89 N 0.86 2.05 -0.24 5.43 1.43 0.55 0.70 118.68 129.46 1x45 s LEU 89 Ca 0.12 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 1x45 s LEU 89 Cb -0.13 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 1x45 s LEU 89 CO 0.04 -0.04 0.41 0.21 0.23 0.00 0.00 176.35 177.19 1x45 s ASN 90 N -0.31 6.36 0.07 2.29 3.04 -0.90 0.52 114.94 126.01 1x45 s ASN 90 Ca -0.02 0.43 0.06 0.00 0.04 0.00 0.00 52.86 53.37 1x45 s ASN 90 Cb -0.02 -2.23 -0.04 0.00 -1.54 0.00 0.00 41.25 37.42 1x45 s ASN 90 CO -0.00 -0.15 -0.11 -0.63 -3.04 0.00 0.00 177.10 173.16 1x45 s ILE 91 N 1.77 3.28 -0.22 -5.21 -1.09 -0.50 0.39 121.20 119.61 1x45 s ILE 91 Ca 0.18 -1.17 -0.04 0.00 -2.23 0.00 0.00 60.65 57.39 1x45 s ILE 91 Cb -0.15 -2.48 0.10 0.00 -1.58 0.00 0.00 42.46 38.34 1x45 s ILE 91 CO 0.09 0.21 0.20 -0.69 -1.23 0.00 0.00 174.94 173.51 1x45 s VAL 92 N -1.11 -0.26 -0.44 2.92 1.01 0.12 -0.73 120.40 121.91 1x45 s VAL 92 Ca 0.19 -0.28 -0.44 0.00 0.00 0.00 0.00 61.98 61.45 1x45 s VAL 92 Cb -0.11 -0.76 -0.18 0.00 0.00 0.00 0.00 36.38 35.34 1x45 s VAL 92 CO 0.11 -0.34 1.83 -0.24 0.00 0.00 0.00 175.10 176.46 1x45 n SER 93 N 5.30 1.44 -3.89 3.32 2.88 -1.26 -2.78 113.62 118.62 1x45 n SER 93 Ca -0.05 0.95 -0.36 0.00 -1.33 0.00 0.00 58.87 58.09 1x45 n SER 93 Cb 0.48 -0.98 0.01 0.00 -0.75 0.00 0.00 64.21 62.97 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 5.23 -3.25 0.26 0.46 0.00 -1.26 -4.82 105.19 101.82 1x45 n GLY 94 Ca 0.37 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.26 1x45 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 h PRO 95 N -0.19 0.00 -6.31 1.61 0.13 -1.95 -3.43 132.00 121.86 1x45 h PRO 95 Ca -0.39 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.20 1x45 h PRO 95 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1x45 h PRO 95 CO 0.35 0.08 0.87 -1.54 -0.23 0.00 0.00 178.00 177.53 1x45 s SER 96 N -5.86 6.86 -0.00 1.44 1.04 -1.26 -5.01 113.70 110.90 1x45 s SER 96 Ca 0.00 2.03 -0.00 0.00 0.48 0.00 0.00 55.95 58.46 1x45 s SER 96 Cb 0.10 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1x45 s SER 96 CO 0.57 -0.74 0.08 -0.94 0.98 0.00 0.00 173.24 173.18 1x45 s SER 97 N 2.06 5.64 0.00 7.02 1.04 -1.26 -5.17 113.70 123.03 1x45 s SER 97 Ca 0.63 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1x45 s SER 97 Cb -0.29 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.22 1x45 s SER 97 CO 0.24 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.34