#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 0.69 -3.64 1.61 3.41 -1.26 -4.86 113.62 109.57 1x45 n SER 2 Ca 0.00 0.61 -0.08 0.00 -0.26 0.00 0.00 58.87 59.14 1x45 n SER 2 Cb 0.00 -0.90 -0.07 0.00 -0.26 0.00 0.00 64.21 62.99 1x45 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x45 s SER 3 N 6.32 -0.50 0.00 4.04 0.01 -1.26 -5.15 113.70 117.16 1x45 s SER 3 Ca 1.21 0.91 0.00 0.00 1.31 0.00 0.00 55.95 59.38 1x45 s SER 3 Cb -1.46 0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1x45 s SER 3 CO 0.63 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.74 1x45 n GLY 4 N 2.60 1.44 3.59 3.44 0.00 -1.26 -5.06 105.19 109.93 1x45 n GLY 4 Ca -0.14 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.16 -0.93 1.61 0.01 -1.26 -5.07 113.70 107.89 1x45 s SER 5 Ca 0.00 -0.73 -0.28 0.00 1.31 0.00 0.00 55.95 56.25 1x45 s SER 5 Cb 0.00 0.59 -0.21 0.00 0.21 0.00 0.00 66.02 66.61 1x45 s SER 5 CO 0.00 -1.13 2.60 -1.20 0.41 0.00 0.00 173.24 173.93 1x45 n SER 6 N -0.37 0.41 0.00 2.44 7.64 -1.26 -4.59 113.62 117.89 1x45 n SER 6 Ca -0.05 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1x45 n SER 6 Cb 0.62 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1x45 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 7 N 6.34 -0.71 3.64 0.23 0.00 -0.68 -4.94 105.19 109.07 1x45 n GLY 7 Ca 0.62 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 6.33 0.07 1.61 1.01 -1.26 -1.79 116.67 118.63 1x45 s ASP 8 Ca 0.00 2.03 0.04 0.00 0.71 0.00 0.00 52.55 55.33 1x45 s ASP 8 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1x45 s ASP 8 CO 0.00 -1.24 0.01 -0.69 0.21 0.00 0.00 175.17 173.46 1x45 s VAL 9 N 5.22 4.09 -0.22 -1.27 1.01 0.14 -4.97 120.40 124.40 1x45 s VAL 9 Ca 0.80 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1x45 s VAL 9 Cb -0.32 -2.92 0.06 0.00 0.00 0.00 0.00 36.38 33.20 1x45 s VAL 9 CO 0.33 0.18 -0.00 -0.36 0.00 0.00 0.00 175.10 175.24 1x45 s PHE 10 N -1.27 1.71 -0.43 5.22 0.08 -1.26 -0.92 117.98 121.11 1x45 s PHE 10 Ca 0.25 -1.32 -0.19 0.00 0.12 0.00 0.00 56.93 55.78 1x45 s PHE 10 Cb -0.12 -1.32 0.02 0.00 -0.57 0.00 0.00 43.02 41.04 1x45 s PHE 10 CO 0.17 -0.70 0.56 0.42 -0.10 0.00 0.00 175.22 175.57 1x45 s ILE 11 N 1.63 4.93 -0.38 0.64 -1.09 -0.53 -4.95 121.20 121.44 1x45 s ILE 11 Ca -0.03 -0.08 -0.20 0.00 -2.23 0.00 0.00 60.65 58.11 1x45 s ILE 11 Cb -0.18 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.57 1x45 s ILE 11 CO -0.08 -0.53 0.63 -1.61 -1.23 0.00 0.00 174.94 172.12 1x45 s GLU 12 N 2.54 3.53 0.18 2.79 2.02 -1.26 -2.42 118.70 126.09 1x45 s GLU 12 Ca 0.18 -0.12 0.03 0.00 0.02 0.00 0.00 54.97 55.09 1x45 s GLU 12 Cb -0.15 -3.86 -0.01 0.00 0.10 0.00 0.00 34.13 30.21 1x45 s GLU 12 CO 0.17 -0.82 0.12 0.36 0.02 0.00 0.00 175.26 175.11 1x45 n LYS 13 N 6.09 0.38 -4.31 1.61 2.85 -0.41 -4.92 118.16 119.46 1x45 n LYS 13 Ca -0.02 -1.75 -0.33 0.00 -1.05 0.00 0.00 58.31 55.16 1x45 n LYS 13 Cb 0.48 1.28 -0.09 0.00 -0.65 0.00 0.00 35.03 36.05 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 -2.74 2.87 0.85 -1.58 -0.21 -1.26 -4.26 119.66 113.33 1x45 s GLN 14 Ca 0.18 -0.53 -0.13 0.00 0.02 0.00 0.00 55.36 54.89 1x45 s GLN 14 Cb 0.01 -2.72 0.08 0.00 1.00 0.00 0.00 33.01 31.38 1x45 s GLN 14 CO 0.12 0.65 1.01 1.63 -2.12 0.00 0.00 175.29 176.59 1x45 n LYS 15 N 1.64 -0.02 0.00 2.91 5.02 -1.26 -2.60 118.16 123.85 1x45 n LYS 15 Ca -0.16 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1x45 n LYS 15 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 0.72 2.68 3.93 0.72 0.00 0.31 -4.98 105.19 108.58 1x45 n GLY 16 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1x45 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x45 s GLU 17 N -0.03 3.50 0.64 1.61 0.41 -1.07 -4.90 118.70 118.85 1x45 s GLU 17 Ca 0.00 -0.23 -0.02 0.00 -0.41 0.00 0.00 54.97 54.31 1x45 s GLU 17 Cb 0.00 -2.61 0.06 0.00 -1.78 0.00 0.00 34.13 29.80 1x45 s GLU 17 CO 0.00 0.09 0.90 0.96 -0.49 0.00 0.00 175.26 176.72 1x45 s ILE 18 N -2.39 2.44 -2.00 -1.63 -4.36 -1.26 -4.18 121.20 107.83 1x45 s ILE 18 Ca 0.41 -0.50 0.18 0.00 -0.26 0.00 0.00 60.65 60.48 1x45 s ILE 18 Cb -0.10 -2.94 0.51 0.00 1.25 0.00 0.00 42.46 41.18 1x45 s ILE 18 CO 0.37 0.00 1.48 -0.11 0.24 0.00 0.00 174.94 176.92 1x45 n LEU 19 N -2.64 0.00 -4.23 0.37 7.94 -1.26 -4.61 117.00 112.57 1x45 n LEU 19 Ca 0.09 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.69 1x45 n LEU 19 Cb 0.60 -0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.47 1x45 n LEU 19 CO 0.47 -0.00 -0.40 0.61 -1.11 0.00 0.00 177.39 176.96 1x45 n GLY 20 N 0.13 -0.16 3.32 -3.96 0.00 -1.26 -3.21 105.19 100.06 1x45 n GLY 20 Ca 0.14 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.23 0.01 -0.09 1.61 0.11 -1.26 -2.09 120.40 114.46 1x45 s VAL 21 Ca 0.03 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1x45 s VAL 21 Cb -0.02 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1x45 s VAL 21 CO 0.97 -0.05 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.96 1x45 s VAL 22 N -0.14 3.91 0.24 2.04 1.01 0.30 -4.99 120.40 122.77 1x45 s VAL 22 Ca -0.03 -0.39 0.12 0.00 0.00 0.00 0.00 61.98 61.67 1x45 s VAL 22 Cb -0.03 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1x45 s VAL 22 CO 0.02 0.58 -0.21 0.27 0.00 0.00 0.00 175.10 175.75 1x45 s ILE 23 N -0.59 2.44 0.11 2.22 -4.36 -1.26 0.11 121.20 119.86 1x45 s ILE 23 Ca 0.09 -2.24 -0.05 0.00 -0.26 0.00 0.00 60.65 58.19 1x45 s ILE 23 Cb -0.12 -2.23 -0.02 0.00 1.25 0.00 0.00 42.46 41.34 1x45 s ILE 23 CO 0.02 -0.28 0.12 0.68 0.24 0.00 0.00 174.94 175.73 1x45 s VAL 24 N -2.14 0.13 0.20 8.37 -7.23 0.34 -4.73 120.40 115.34 1x45 s VAL 24 Ca 0.26 -1.56 -0.32 0.00 -1.81 0.00 0.00 61.98 58.54 1x45 s VAL 24 Cb -0.06 -1.67 -0.14 0.00 0.56 0.00 0.00 36.38 35.06 1x45 s VAL 24 CO 0.13 -0.61 1.35 -0.62 -0.31 0.00 0.00 175.10 175.03 1x45 n GLU 25 N -0.06 1.71 -0.73 4.82 1.02 -1.26 -1.70 120.64 124.44 1x45 n GLU 25 Ca -0.11 0.61 -0.07 0.00 -0.02 0.00 0.00 57.16 57.58 1x45 n GLU 25 Cb 0.62 -2.23 -0.09 0.00 -0.02 0.00 0.00 31.44 29.72 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 2.30 4.83 -3.04 1.62 2.88 -1.26 -4.72 113.62 116.23 1x45 n SER 26 Ca 0.14 -2.35 -0.05 0.00 -1.33 0.00 0.00 58.87 55.28 1x45 n SER 26 Cb 0.28 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 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 2.14 0.02 3.50 0.46 0.00 -1.26 -4.33 105.19 105.72 1x45 n GLY 27 Ca 0.23 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 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 1.04 0.38 0.00 1.61 7.02 -1.26 -3.05 117.44 123.18 1x45 n TRP 28 Ca -0.01 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1x45 n TRP 28 Cb 0.49 -1.70 0.00 0.00 -2.42 0.00 0.00 31.31 27.67 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 6.13 0.35 3.71 6.99 0.00 -1.26 -5.13 105.19 115.98 1x45 n GLY 29 Ca 0.66 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 1x45 n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x45 s SER 30 N 0.00 3.49 0.02 1.61 1.04 -1.17 -4.94 113.70 113.75 1x45 s SER 30 Ca 0.00 1.62 -0.03 0.00 0.48 0.00 0.00 55.95 58.02 1x45 s SER 30 Cb 0.00 -2.29 -0.01 0.00 0.10 0.00 0.00 66.02 63.83 1x45 s SER 30 CO 0.00 -2.65 0.98 -0.38 0.98 0.00 0.00 173.24 172.17 1x45 n ILE 31 N -3.90 -0.07 -3.88 -1.02 -0.00 -1.26 -3.60 119.36 105.63 1x45 n ILE 31 Ca 0.08 1.49 -0.32 0.00 -0.00 0.00 0.00 62.75 63.99 1x45 n ILE 31 Cb 0.54 -1.96 -0.13 0.00 -0.00 0.00 0.00 39.64 38.10 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 -6.37 4.67 -0.80 1.39 2.01 -1.26 -5.05 118.68 113.27 1x45 s LEU 32 Ca -0.01 -2.85 -0.25 0.00 0.01 0.00 0.00 54.13 51.03 1x45 s LEU 32 Cb 0.01 -1.71 -0.04 0.00 0.01 0.00 0.00 46.19 44.46 1x45 s LEU 32 CO 0.07 -0.30 1.92 -2.16 1.01 0.00 0.00 176.35 176.89 1x45 s PRO 33 N -0.06 2.58 0.00 1.29 0.04 -1.24 -4.72 135.00 132.89 1x45 s PRO 33 Ca 0.16 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1x45 s PRO 33 Cb -0.23 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1x45 s PRO 33 CO -0.02 -3.15 0.00 0.25 0.04 0.00 0.00 177.00 174.12 1x45 n THR 34 N 7.65 0.00 -3.63 1.26 -2.24 -1.26 -3.70 114.28 112.35 1x45 n THR 34 Ca 0.33 0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 62.15 1x45 n THR 34 Cb 0.49 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.74 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 -0.44 0.00 0.10 2.28 -7.23 -1.26 -4.31 120.40 109.53 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 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 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 -0.42 1.14 -0.05 -0.62 -4.36 -0.69 -0.63 121.20 115.58 1x45 s ILE 36 Ca 0.06 -1.53 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 1x45 s ILE 36 Cb -0.03 -1.30 -0.06 0.00 1.25 0.00 0.00 42.46 42.32 1x45 s ILE 36 CO -0.09 -0.37 1.66 -0.63 0.24 0.00 0.00 174.94 175.74 1x45 s ILE 37 N -1.86 3.55 -0.08 8.37 1.09 -0.71 -0.51 121.20 131.06 1x45 s ILE 37 Ca 0.04 0.69 0.14 0.00 -1.10 0.00 0.00 60.65 60.41 1x45 s ILE 37 Cb -0.06 -3.44 -0.23 0.00 -1.06 0.00 0.00 42.46 37.66 1x45 s ILE 37 CO 0.02 -0.06 0.55 0.00 -0.10 0.00 0.00 174.94 175.35 1x45 n ALA 38 N 7.05 1.53 -3.56 9.38 0.00 0.12 -2.52 120.51 132.51 1x45 n ALA 38 Ca 0.17 -0.87 -0.11 0.00 0.00 0.00 0.00 53.44 52.63 1x45 n ALA 38 Cb 0.43 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 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 -5.94 -0.41 -0.06 0.00 2.47 -1.15 -4.97 114.94 104.87 1x45 s ASN 39 Ca -0.06 0.39 0.05 0.00 0.42 0.00 0.00 52.86 53.66 1x45 s ASN 39 Cb 0.08 0.35 -0.02 0.00 -1.45 0.00 0.00 41.25 40.21 1x45 s ASN 39 CO 0.83 -0.43 -0.20 -0.04 -3.72 0.00 0.00 177.10 173.53 1x45 s MET 40 N -1.45 2.58 0.54 0.43 -1.94 -1.26 -0.54 119.30 117.66 1x45 s MET 40 Ca -0.02 -0.82 -0.21 0.00 -1.71 0.00 0.00 55.69 52.93 1x45 s MET 40 Cb -0.00 -2.27 -0.05 0.00 2.01 0.00 0.00 34.83 34.52 1x45 s MET 40 CO 0.01 0.46 1.31 1.41 -0.01 0.00 0.00 175.02 178.20 1x45 s MET 41 N -0.34 3.18 -1.39 2.03 1.75 -0.89 -4.89 119.30 118.75 1x45 s MET 41 Ca 0.02 2.11 -0.14 0.00 -1.25 0.00 0.00 55.69 56.43 1x45 s MET 41 Cb -0.12 -2.22 0.07 0.00 2.84 0.00 0.00 34.83 35.40 1x45 s MET 41 CO 0.02 -1.12 2.05 0.72 -0.65 0.00 0.00 175.02 176.05 1x45 n HIS 42 N -1.06 3.70 0.00 4.11 8.25 -1.26 -3.24 115.22 125.72 1x45 n HIS 42 Ca 0.11 -2.94 0.00 0.00 -0.26 0.00 0.00 57.72 54.63 1x45 n HIS 42 Cb 0.46 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.11 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 4.11 0.63 3.67 -1.41 0.00 -1.26 -5.15 105.19 105.78 1x45 n GLY 43 Ca 0.49 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.48 0.20 -0.02 0.00 -1.20 -4.93 105.19 98.76 1x45 n GLY 44 Ca 0.00 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 0.66 -0.22 1.61 0.13 -1.82 -2.52 132.00 129.84 1x45 h PRO 45 Ca -0.36 -0.35 -0.03 0.00 -0.87 0.00 0.00 66.00 64.39 1x45 h PRO 45 Cb 1.14 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1x45 h PRO 45 CO 0.31 0.95 0.03 0.00 -0.23 0.00 0.00 178.00 179.07 1x45 h ALA 46 N 0.70 0.30 -0.46 -0.56 0.00 -1.77 0.49 119.26 117.95 1x45 h ALA 46 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1x45 h ALA 46 Cb 0.83 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1x45 h ALA 46 CO 0.07 -0.03 0.28 1.49 0.00 0.00 0.00 179.25 181.06 1x45 h GLU 47 N 0.17 0.62 0.14 0.00 4.57 -1.78 -2.39 114.58 115.90 1x45 h GLU 47 Ca 0.07 -0.05 -0.30 0.00 -1.18 0.00 0.00 59.36 57.90 1x45 h GLU 47 Cb 0.33 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1x45 h GLU 47 CO 0.00 0.43 -1.41 0.87 -1.18 0.00 0.00 179.01 177.73 1x45 h LYS 48 N 0.63 0.29 -0.68 1.92 1.57 -1.23 -3.32 116.57 115.75 1x45 h LYS 48 Ca 0.17 -0.49 0.09 0.00 -1.87 0.00 0.00 60.65 58.54 1x45 h LYS 48 Cb -0.03 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 1x45 h LYS 48 CO -0.03 1.19 0.33 0.66 -0.57 0.00 0.00 179.45 181.03 1x45 h SER 49 N 0.08 0.44 -0.59 0.86 4.64 0.46 -3.46 113.55 115.98 1x45 h SER 49 Ca -0.20 0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 60.92 1x45 h SER 49 Cb 2.01 -0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 63.99 1x45 h SER 49 CO 0.19 0.26 -0.23 0.61 -0.87 0.00 0.00 176.83 176.79 1x45 n GLY 50 N -1.30 1.31 0.10 -0.77 0.00 -0.97 -4.87 105.19 98.69 1x45 n GLY 50 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 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 0.04 0.00 0.00 1.61 1.79 -1.89 -3.47 116.57 114.65 1x45 h LYS 51 Ca -0.25 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.64 1x45 h LYS 51 Cb 0.87 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.44 1x45 h LYS 51 CO 0.37 0.54 -0.36 1.47 -1.08 0.00 0.00 179.45 180.40 1x45 n LEU 52 N -3.12 0.00 -3.63 2.94 -0.00 -1.26 -4.84 117.00 107.10 1x45 n LEU 52 Ca -0.05 -2.83 -0.15 0.00 -0.00 0.00 0.00 56.01 52.98 1x45 n LEU 52 Cb 0.87 0.16 -0.07 0.00 -0.00 0.00 0.00 43.42 44.38 1x45 n LEU 52 CO 0.43 -0.49 0.22 0.20 -0.00 0.00 0.00 177.39 177.76 1x45 s ASN 53 N -3.80 -0.40 -0.40 1.45 0.01 -1.26 -5.07 114.94 105.48 1x45 s ASN 53 Ca 0.14 0.27 -0.31 0.00 -0.71 0.00 0.00 52.86 52.25 1x45 s ASN 53 Cb -0.01 0.44 -0.09 0.00 0.41 0.00 0.00 41.25 41.99 1x45 s ASN 53 CO 0.09 -0.60 2.30 -0.38 -1.51 0.00 0.00 177.10 177.00 1x45 n ILE 54 N 0.83 0.15 0.00 0.60 2.08 -1.26 -0.91 119.36 120.85 1x45 n ILE 54 Ca -0.20 -0.42 0.00 0.00 0.56 0.00 0.00 62.75 62.70 1x45 n ILE 54 Cb 0.58 -2.07 0.00 0.00 -0.75 0.00 0.00 39.64 37.40 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 6.21 1.01 3.75 7.39 0.00 -1.05 -5.01 105.19 117.49 1x45 n GLY 55 Ca 0.39 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.96 5.19 0.25 1.61 1.11 -0.09 -3.78 116.67 120.01 1x45 s ASP 56 Ca 0.00 2.40 0.09 0.00 0.18 0.00 0.00 52.55 55.22 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 -1.60 0.02 0.00 1.18 0.00 0.00 175.17 174.78 1x45 s GLN 57 N -3.32 2.38 -0.28 8.23 -2.07 -0.99 -1.74 119.66 121.87 1x45 s GLN 57 Ca 0.77 -1.34 -0.08 0.00 -1.82 0.00 0.00 55.36 52.90 1x45 s GLN 57 Cb -0.31 -2.23 -0.01 0.00 -1.09 0.00 0.00 33.01 29.38 1x45 s GLN 57 CO 0.33 0.38 0.09 0.42 -1.32 0.00 0.00 175.29 175.19 1x45 s ILE 58 N -2.23 4.21 0.13 3.63 1.01 0.20 -0.05 121.20 128.09 1x45 s ILE 58 Ca 0.31 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 1x45 s ILE 58 Cb -0.07 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1x45 s ILE 58 CO 0.20 0.16 1.50 0.24 0.00 0.00 0.00 174.94 177.04 1x45 h MET 59 N 8.26 0.87 -3.11 2.79 2.86 -0.07 -3.40 114.93 123.15 1x45 h MET 59 Ca -0.34 -0.41 0.02 0.00 -2.06 0.00 0.00 59.70 56.91 1x45 h MET 59 Cb 1.15 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 1x45 h MET 59 CO 0.60 1.05 0.19 -1.54 1.06 0.00 0.00 176.91 178.28 1x45 s SER 60 N -6.65 -0.12 -0.27 1.22 1.04 -1.23 -3.06 113.70 104.63 1x45 s SER 60 Ca -0.12 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 1x45 s SER 60 Cb 0.11 0.75 0.08 0.00 0.10 0.00 0.00 66.02 67.06 1x45 s SER 60 CO 0.85 -1.43 0.06 -0.63 0.98 0.00 0.00 173.24 173.07 1x45 s ILE 61 N -3.40 0.92 -1.88 -1.02 1.01 -0.59 -2.14 121.20 114.09 1x45 s ILE 61 Ca 0.14 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1x45 s ILE 61 Cb -0.05 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.87 1x45 s ILE 61 CO 0.09 -0.46 0.00 0.59 0.00 0.00 0.00 174.94 175.16 1x45 n ASN 62 N 4.86 -5.40 0.00 3.58 3.02 0.28 -1.17 115.26 120.43 1x45 n ASN 62 Ca -0.05 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1x45 n ASN 62 Cb 0.44 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 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 -0.67 1.04 3.12 7.41 0.00 -1.26 -5.04 105.19 109.78 1x45 n GLY 63 Ca -0.21 0.00 -0.37 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 3.69 0.25 2.61 2.01 -0.32 -5.07 115.64 116.80 1x45 s THR 64 Ca 0.00 -2.55 -0.31 0.00 0.31 0.00 0.00 61.69 59.14 1x45 s THR 64 Cb 0.00 -3.44 -0.13 0.00 0.01 0.00 0.00 72.50 68.94 1x45 s THR 64 CO 0.00 -0.82 1.39 -0.24 -0.69 0.00 0.00 174.62 174.27 1x45 n SER 65 N 3.98 2.73 -0.84 3.53 2.88 -1.26 -1.55 113.62 123.09 1x45 n SER 65 Ca 0.03 1.15 0.09 0.00 -1.33 0.00 0.00 58.87 58.81 1x45 n SER 65 Cb 0.39 -1.43 0.16 0.00 -0.75 0.00 0.00 64.21 62.58 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 2.06 2.95 -4.66 2.46 4.77 -1.17 -4.91 117.00 118.50 1x45 n LEU 66 Ca 0.11 -1.51 -0.45 0.00 -0.03 0.00 0.00 56.01 54.13 1x45 n LEU 66 Cb 0.32 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1x45 n LEU 66 CO 0.63 0.65 1.60 0.52 -1.33 0.00 0.00 177.39 179.45 1x45 n VAL 67 N 1.02 0.64 0.00 4.08 0.31 -1.26 -1.48 118.33 121.64 1x45 n VAL 67 Ca 0.14 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1x45 n VAL 67 Cb 0.48 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1x45 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x45 n GLY 68 N 4.69 2.67 3.67 2.92 0.00 -1.24 -5.02 105.19 112.87 1x45 n GLY 68 Ca 0.23 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 3.22 -4.77 0.99 4.77 -0.55 -4.96 117.00 115.71 1x45 n LEU 69 Ca 0.00 1.16 -0.31 0.00 -0.03 0.00 0.00 56.01 56.83 1x45 n LEU 69 Cb 0.00 -1.44 0.09 0.00 -2.33 0.00 0.00 43.42 39.74 1x45 n LEU 69 CO 0.00 -0.80 0.70 -2.16 -1.33 0.00 0.00 177.39 173.80 1x45 s PRO 70 N -1.91 2.30 0.23 3.23 0.04 -1.26 -4.77 135.00 132.86 1x45 s PRO 70 Ca 0.58 1.19 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 1x45 s PRO 70 Cb -0.58 -1.90 0.32 0.00 0.04 0.00 0.00 34.50 32.39 1x45 s PRO 70 CO 0.60 -1.61 1.82 1.25 0.04 0.00 0.00 177.00 179.10 1x45 h LEU 71 N -1.02 0.66 -0.50 -3.56 5.85 -1.93 -1.16 115.31 113.65 1x45 h LEU 71 Ca -0.44 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1x45 h LEU 71 Cb 1.23 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1x45 h LEU 71 CO 0.52 0.40 0.33 0.28 -0.34 0.00 0.00 178.44 179.62 1x45 h SER 72 N 0.79 0.58 0.38 1.25 0.02 -1.99 -2.39 113.55 112.19 1x45 h SER 72 Ca 0.36 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1x45 h SER 72 Cb 0.26 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1x45 h SER 72 CO -0.21 0.44 -0.18 0.74 -1.14 0.00 0.00 176.83 176.48 1x45 h THR 73 N 0.68 0.00 -1.00 -2.27 2.02 -1.73 -2.64 112.91 107.96 1x45 h THR 73 Ca 0.18 -0.05 0.40 0.00 0.77 0.00 0.00 66.41 67.72 1x45 h THR 73 Cb -0.06 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.17 1x45 h THR 73 CO -0.04 0.00 0.48 0.00 0.37 0.00 0.00 175.52 176.33 1x45 h GLN 75 N 0.00 1.11 -0.55 0.00 4.20 -1.30 -2.63 115.11 115.94 1x45 h GLN 75 Ca 0.82 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 59.39 1x45 h GLN 75 Cb 2.13 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 29.68 1x45 h GLN 75 CO -0.79 0.84 0.36 1.03 -0.67 0.00 0.00 178.83 179.61 1x45 h SER 76 N 1.10 0.62 0.24 1.46 0.87 0.22 0.74 113.55 118.79 1x45 h SER 76 Ca 0.27 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1x45 h SER 76 Cb 0.08 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1x45 h SER 76 CO -0.04 0.45 -0.07 0.40 -0.53 0.00 0.00 176.83 177.04 1x45 h ILE 77 N 0.73 0.49 0.00 2.23 2.04 -1.15 -1.38 117.51 120.47 1x45 h ILE 77 Ca 0.21 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1x45 h ILE 77 Cb -0.07 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1x45 h ILE 77 CO -0.05 0.07 -1.08 -0.38 0.00 0.00 0.00 178.15 176.70 1x45 n ILE 78 N -3.65 0.68 0.45 -0.67 5.41 -0.53 -3.83 119.36 117.22 1x45 n ILE 78 Ca -0.02 -0.57 0.12 0.00 1.00 0.00 0.00 62.75 63.28 1x45 n ILE 78 Cb 0.17 -0.38 0.26 0.00 -0.71 0.00 0.00 39.64 38.98 1x45 n ILE 78 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1x45 h LYS 79 N 0.00 0.00 -0.33 0.38 1.57 0.19 -3.21 116.57 115.17 1x45 h LYS 79 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1x45 h LYS 79 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1x45 h LYS 79 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 1x45 n GLY 80 N 1.24 0.59 0.98 3.86 0.00 -0.88 -3.69 105.19 107.30 1x45 n GLY 80 Ca 0.04 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 0.50 2.94 -0.07 0.99 4.77 -1.21 -4.24 117.00 120.68 1x45 n LEU 81 Ca 0.12 -1.25 -0.09 0.00 -0.03 0.00 0.00 56.01 54.76 1x45 n LEU 81 Cb 0.30 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1x45 n LEU 81 CO 0.09 0.63 0.62 0.50 -1.33 0.00 0.00 177.39 177.89 1x45 h LYS 82 N 3.85 0.75 0.00 3.23 3.64 -1.72 -2.48 116.57 123.83 1x45 h LYS 82 Ca 0.00 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1x45 h LYS 82 Cb 0.85 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1x45 h LYS 82 CO 0.00 0.97 0.00 0.09 -2.27 0.00 0.00 179.45 178.24 1x45 n ASN 83 N -4.06 0.00 -4.49 4.20 4.13 -1.26 0.11 115.26 113.89 1x45 n ASN 83 Ca -0.01 0.29 -0.27 0.00 1.68 0.00 0.00 54.58 56.27 1x45 n ASN 83 Cb 0.50 -0.40 -0.11 0.00 -1.54 0.00 0.00 39.78 38.24 1x45 n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x45 s GLN 84 N -2.79 1.78 -0.16 3.52 -2.07 -0.93 -4.65 119.66 114.36 1x45 s GLN 84 Ca 0.11 -1.38 -0.14 0.00 -1.82 0.00 0.00 55.36 52.13 1x45 s GLN 84 Cb 0.10 -2.01 -0.05 0.00 -1.09 0.00 0.00 33.01 29.97 1x45 s GLN 84 CO 0.26 0.42 -0.27 -1.13 -1.32 0.00 0.00 175.29 173.26 1x45 n SER 85 N 0.21 1.87 -4.72 12.60 3.41 -1.26 -4.19 113.62 121.54 1x45 n SER 85 Ca -0.12 0.48 -0.38 0.00 -0.26 0.00 0.00 58.87 58.59 1x45 n SER 85 Cb 0.55 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 1x45 n SER 85 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1x45 s ARG 86 N -2.58 4.34 0.02 4.33 3.52 -1.26 -1.29 118.95 126.03 1x45 s ARG 86 Ca -0.22 0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.85 1x45 s ARG 86 Cb 0.03 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1x45 s ARG 86 CO 0.33 0.15 -0.07 0.08 -0.81 0.00 0.00 175.30 174.98 1x45 s VAL 87 N 0.65 0.50 -0.16 7.11 1.01 -1.02 -5.02 120.40 123.47 1x45 s VAL 87 Ca 0.26 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1x45 s VAL 87 Cb -0.15 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1x45 s VAL 87 CO 0.10 -0.08 -0.05 -0.75 0.00 0.00 0.00 175.10 174.32 1x45 s LYS 88 N -0.74 3.63 -0.04 2.72 2.20 -1.26 -1.45 119.74 124.80 1x45 s LYS 88 Ca -0.03 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1x45 s LYS 88 Cb -0.05 -2.89 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1x45 s LYS 88 CO 0.00 0.22 0.11 -0.51 -0.36 0.00 0.00 175.35 174.81 1x45 s LEU 89 N 0.41 1.58 -0.30 5.43 1.43 -0.10 0.10 118.68 127.23 1x45 s LEU 89 Ca -0.05 0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 1x45 s LEU 89 Cb -0.14 0.42 -0.02 0.00 0.03 0.00 0.00 46.19 46.48 1x45 s LEU 89 CO 0.03 -0.09 0.47 0.21 0.23 0.00 0.00 176.35 177.20 1x45 s ASN 90 N -0.18 6.33 0.02 2.29 3.04 -0.91 0.25 114.94 125.77 1x45 s ASN 90 Ca -0.03 0.20 0.01 0.00 0.04 0.00 0.00 52.86 53.09 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 -0.34 0.03 -0.63 -3.04 0.00 0.00 177.10 173.12 1x45 s ILE 91 N 2.27 4.35 -0.19 -5.21 -1.09 -0.74 0.69 121.20 121.29 1x45 s ILE 91 Ca 0.18 -0.61 -0.04 0.00 -2.23 0.00 0.00 60.65 57.96 1x45 s ILE 91 Cb -0.16 -2.99 0.08 0.00 -1.58 0.00 0.00 42.46 37.82 1x45 s ILE 91 CO 0.11 0.31 0.20 -0.69 -1.23 0.00 0.00 174.94 173.64 1x45 s VAL 92 N -1.17 -0.28 -0.39 2.92 1.01 0.92 -1.69 120.40 121.71 1x45 s VAL 92 Ca 0.22 -0.07 -0.43 0.00 0.00 0.00 0.00 61.98 61.70 1x45 s VAL 92 Cb -0.12 -0.62 -0.19 0.00 0.00 0.00 0.00 36.38 35.45 1x45 s VAL 92 CO 0.13 -0.18 1.42 -0.24 0.00 0.00 0.00 175.10 176.23 1x45 n SER 93 N 5.31 0.95 -3.31 3.32 2.88 -1.26 -2.34 113.62 119.16 1x45 n SER 93 Ca -0.06 1.11 -0.11 0.00 -1.33 0.00 0.00 58.87 58.49 1x45 n SER 93 Cb 0.49 -0.83 0.10 0.00 -0.75 0.00 0.00 64.21 63.23 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 3.36 -2.04 3.56 0.46 0.00 -1.25 -4.70 105.19 104.59 1x45 n GLY 94 Ca 0.27 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.93 2.55 0.04 1.61 0.04 -1.26 -4.80 135.00 130.24 1x45 s PRO 95 Ca 0.24 -0.44 -0.24 0.00 0.04 0.00 0.00 61.00 60.60 1x45 s PRO 95 Cb -0.04 -5.09 -0.16 0.00 0.04 0.00 0.00 34.50 29.24 1x45 s PRO 95 CO 0.20 -3.47 1.48 0.77 0.04 0.00 0.00 177.00 176.02 1x45 h SER 96 N 11.03 0.07 -3.15 6.66 0.02 -2.00 -3.40 113.55 122.77 1x45 h SER 96 Ca 0.12 -0.28 -0.57 0.00 -0.84 0.00 0.00 61.79 60.22 1x45 h SER 96 Cb 0.99 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.47 1x45 h SER 96 CO 1.21 0.34 1.00 -0.55 -1.14 0.00 0.00 176.83 177.70 1x45 s SER 97 N -5.55 6.57 0.00 3.07 0.15 -1.26 -5.31 113.70 111.36 1x45 s SER 97 Ca -0.15 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1x45 s SER 97 Cb 0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1x45 s SER 97 CO 0.68 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 174.55