#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 7.51 0.14 1.61 0.15 -1.26 -4.98 113.70 116.88 1x45 s SER 2 Ca 0.00 1.79 -0.25 0.00 0.70 0.00 0.00 55.95 58.19 1x45 s SER 2 Cb 0.00 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1x45 s SER 2 CO 0.00 0.15 1.61 0.28 1.20 0.00 0.00 173.24 176.48 1x45 h SER 3 N 4.44 -0.98 -1.67 5.45 0.02 -2.04 -3.43 113.55 115.35 1x45 h SER 3 Ca -0.46 0.15 -0.50 0.00 -0.84 0.00 0.00 61.79 60.14 1x45 h SER 3 Cb 1.20 0.43 -0.04 0.00 0.14 0.00 0.00 62.40 64.13 1x45 h SER 3 CO 0.68 -0.34 -0.42 -0.83 -1.14 0.00 0.00 176.83 174.77 1x45 s GLY 4 N -2.69 2.01 0.17 -3.77 0.00 -1.26 -5.13 107.32 96.65 1x45 s GLY 4 Ca -0.15 -1.81 0.06 0.00 0.00 0.00 0.00 44.72 42.82 1x45 s GLY 4 CO 0.66 -1.67 0.07 -0.56 0.00 0.00 0.00 173.10 171.60 1x45 s SER 5 N -4.05 5.14 -0.43 1.64 0.01 -1.26 -5.04 113.70 109.71 1x45 s SER 5 Ca 0.44 -0.27 -0.10 0.00 1.31 0.00 0.00 55.95 57.33 1x45 s SER 5 Cb -0.04 -1.22 0.08 0.00 0.21 0.00 0.00 66.02 65.05 1x45 s SER 5 CO 0.27 0.08 0.29 -0.94 0.41 0.00 0.00 173.24 173.34 1x45 s SER 6 N -3.05 5.74 0.00 2.44 1.04 -1.26 -4.78 113.70 113.83 1x45 s SER 6 Ca 0.29 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1x45 s SER 6 Cb -0.10 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1x45 s SER 6 CO 0.21 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1x45 n GLY 7 N 4.97 -0.57 3.72 7.32 0.00 -0.40 -4.94 105.19 115.29 1x45 n GLY 7 Ca -0.10 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 6.60 0.06 1.61 1.01 -1.26 -1.37 116.67 119.33 1x45 s ASP 8 Ca 0.00 2.62 0.08 0.00 0.71 0.00 0.00 52.55 55.96 1x45 s ASP 8 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1x45 s ASP 8 CO 0.00 -0.80 -0.22 -0.69 0.21 0.00 0.00 175.17 173.67 1x45 s VAL 9 N 0.92 1.80 -0.23 -1.27 1.01 0.19 -4.92 120.40 117.90 1x45 s VAL 9 Ca 0.68 -1.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1x45 s VAL 9 Cb -0.43 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.44 1x45 s VAL 9 CO 0.34 0.17 -0.03 -0.36 0.00 0.00 0.00 175.10 175.21 1x45 s PHE 10 N -0.90 2.11 -0.35 5.22 0.08 -1.26 -0.47 117.98 122.41 1x45 s PHE 10 Ca 0.08 -1.58 -0.20 0.00 0.12 0.00 0.00 56.93 55.36 1x45 s PHE 10 Cb -0.09 -1.48 -0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1x45 s PHE 10 CO 0.03 -0.74 0.59 0.42 -0.10 0.00 0.00 175.22 175.41 1x45 s ILE 11 N 1.49 4.94 -0.42 0.64 -1.09 -0.33 -4.93 121.20 121.50 1x45 s ILE 11 Ca -0.04 0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 58.72 1x45 s ILE 11 Cb -0.18 -4.03 0.02 0.00 -1.58 0.00 0.00 42.46 36.69 1x45 s ILE 11 CO -0.07 -0.27 0.39 -1.61 -1.23 0.00 0.00 174.94 172.15 1x45 s GLU 12 N 2.58 3.04 0.20 2.79 2.02 -1.26 -2.05 118.70 126.02 1x45 s GLU 12 Ca 0.22 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.35 1x45 s GLU 12 Cb -0.15 -3.98 -0.01 0.00 0.10 0.00 0.00 34.13 30.09 1x45 s GLU 12 CO 0.14 -0.83 0.10 0.36 0.02 0.00 0.00 175.26 175.05 1x45 n LYS 13 N 5.43 0.57 -4.30 1.61 2.85 0.14 -4.94 118.16 119.52 1x45 n LYS 13 Ca -0.09 -1.80 -0.35 0.00 -1.05 0.00 0.00 58.31 55.02 1x45 n LYS 13 Cb 0.47 1.14 -0.10 0.00 -0.65 0.00 0.00 35.03 35.89 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 -2.79 3.35 0.88 -1.58 -0.21 -1.26 -4.25 119.66 113.81 1x45 s GLN 14 Ca 0.14 -0.42 -0.14 0.00 0.02 0.00 0.00 55.36 54.97 1x45 s GLN 14 Cb 0.01 -2.91 0.01 0.00 1.00 0.00 0.00 33.01 31.12 1x45 s GLN 14 CO 0.10 0.51 0.45 1.63 -2.12 0.00 0.00 175.29 175.86 1x45 n LYS 15 N 2.75 -0.10 0.00 2.91 5.02 -1.26 -2.23 118.16 125.24 1x45 n LYS 15 Ca -0.18 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1x45 n LYS 15 Cb 0.53 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.54 3.00 3.95 0.72 0.00 0.36 -4.98 105.19 109.78 1x45 n GLY 16 Ca 0.08 0.00 -0.21 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 -0.01 3.35 0.59 1.61 0.41 -0.95 -4.97 118.70 118.73 1x45 s GLU 17 Ca 0.00 -0.81 -0.03 0.00 -0.41 0.00 0.00 54.97 53.72 1x45 s GLU 17 Cb 0.00 -2.83 0.03 0.00 -1.78 0.00 0.00 34.13 29.54 1x45 s GLU 17 CO 0.00 0.43 0.86 0.96 -0.49 0.00 0.00 175.26 177.01 1x45 s ILE 18 N -2.01 3.07 -2.00 -1.63 -4.36 -1.26 -4.14 121.20 108.87 1x45 s ILE 18 Ca 0.34 -0.34 0.16 0.00 -0.26 0.00 0.00 60.65 60.54 1x45 s ILE 18 Cb -0.09 -3.21 0.44 0.00 1.25 0.00 0.00 42.46 40.85 1x45 s ILE 18 CO 0.28 -0.19 1.37 -0.11 0.24 0.00 0.00 174.94 176.53 1x45 n LEU 19 N -2.52 0.00 -4.05 0.37 7.94 -1.26 -4.58 117.00 112.90 1x45 n LEU 19 Ca 0.06 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.63 1x45 n LEU 19 Cb 0.59 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.50 1x45 n LEU 19 CO 0.50 0.00 -0.30 0.61 -1.11 0.00 0.00 177.39 177.08 1x45 n GLY 20 N 0.23 -0.35 3.38 -3.96 0.00 -1.26 -3.24 105.19 99.99 1x45 n GLY 20 Ca 0.12 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.01 -0.00 -0.06 1.61 0.11 -1.26 -2.55 120.40 114.24 1x45 s VAL 21 Ca 0.17 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1x45 s VAL 21 Cb -0.10 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1x45 s VAL 21 CO 0.85 0.00 0.15 -0.69 -3.33 0.00 0.00 175.10 172.08 1x45 s VAL 22 N 0.45 5.36 0.11 2.04 1.01 0.80 -5.00 120.40 125.17 1x45 s VAL 22 Ca -0.02 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1x45 s VAL 22 Cb -0.04 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1x45 s VAL 22 CO -0.02 0.48 -0.14 0.27 0.00 0.00 0.00 175.10 175.69 1x45 s ILE 23 N -1.16 1.31 0.32 2.22 -4.36 -1.26 -0.66 121.20 117.61 1x45 s ILE 23 Ca 0.21 -1.64 0.05 0.00 -0.26 0.00 0.00 60.65 59.00 1x45 s ILE 23 Cb -0.12 -1.46 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 1x45 s ILE 23 CO 0.11 -0.37 0.33 1.33 0.24 0.00 0.00 174.94 176.57 1x45 n VAL 24 N 0.68 0.00 -2.09 8.37 0.24 -0.25 -4.76 118.33 120.52 1x45 n VAL 24 Ca -0.17 -2.11 -0.42 0.00 -2.04 0.00 0.00 64.34 59.60 1x45 n VAL 24 Cb 0.56 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1x45 n VAL 24 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1x45 s GLU 25 N -3.12 4.28 -0.17 7.34 2.02 -1.26 -1.93 118.70 125.87 1x45 s GLU 25 Ca 0.35 2.17 0.02 0.00 0.02 0.00 0.00 54.97 57.53 1x45 s GLU 25 Cb 0.01 -3.24 0.29 0.00 0.10 0.00 0.00 34.13 31.29 1x45 s GLU 25 CO 0.25 -0.50 1.31 0.45 0.02 0.00 0.00 175.26 176.78 1x45 n SER 26 N 4.05 3.24 -2.96 -0.19 2.88 -1.26 -4.54 113.62 114.83 1x45 n SER 26 Ca 0.12 -2.60 -0.34 0.00 -1.33 0.00 0.00 58.87 54.71 1x45 n SER 26 Cb 0.41 -0.63 -0.02 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.09 5.02 0.39 0.46 0.00 -1.26 -4.18 105.19 105.53 1x45 n GLY 27 Ca 0.22 -2.14 -0.18 0.00 0.00 0.00 0.00 46.02 43.93 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 0.67 0.00 -1.72 1.61 7.02 -1.26 -4.95 117.44 118.80 1x45 n TRP 28 Ca 0.53 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.98 1x45 n TRP 28 Cb 0.38 -0.63 -0.03 0.00 -2.42 0.00 0.00 31.31 28.60 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 2.03 -0.06 3.84 6.99 0.00 -1.26 -5.10 105.19 111.63 1x45 n GLY 29 Ca -0.34 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.44 4.99 -0.12 1.61 1.04 -1.26 -4.60 113.70 114.92 1x45 s SER 30 Ca 0.00 -0.73 -0.21 0.00 0.48 0.00 0.00 55.95 55.49 1x45 s SER 30 Cb 0.00 -0.66 -0.18 0.00 0.10 0.00 0.00 66.02 65.28 1x45 s SER 30 CO -0.00 -0.54 0.57 0.40 0.98 0.00 0.00 173.24 174.65 1x45 h ILE 31 N 1.17 1.25 -3.26 -1.02 5.03 -2.01 -3.42 117.51 115.25 1x45 h ILE 31 Ca -0.42 -1.90 -0.76 0.00 -0.12 0.00 0.00 64.86 61.66 1x45 h ILE 31 Cb 1.26 2.35 -0.26 0.00 -3.03 0.00 0.00 36.82 37.15 1x45 h ILE 31 CO 0.60 0.42 -0.20 -0.76 -0.68 0.00 0.00 178.15 177.52 1x45 s LEU 32 N -8.36 6.17 -0.98 1.44 2.01 -1.26 -5.01 118.68 112.69 1x45 s LEU 32 Ca -0.13 -1.99 -0.24 0.00 0.01 0.00 0.00 54.13 51.77 1x45 s LEU 32 Cb -0.02 -2.16 -0.06 0.00 0.01 0.00 0.00 46.19 43.96 1x45 s LEU 32 CO 0.49 -0.77 1.94 -2.16 1.01 0.00 0.00 176.35 176.87 1x45 s PRO 33 N 1.27 2.54 0.00 1.29 0.04 -1.26 -4.69 135.00 134.18 1x45 s PRO 33 Ca 0.06 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1x45 s PRO 33 Cb -0.26 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1x45 s PRO 33 CO 0.00 -3.54 0.00 0.25 0.04 0.00 0.00 177.00 173.75 1x45 n THR 34 N 7.86 0.00 -3.64 1.26 -2.24 -1.26 -3.99 114.28 112.27 1x45 n THR 34 Ca 0.41 0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 62.28 1x45 n THR 34 Cb 0.47 -1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.42 0.00 0.06 2.28 -7.23 -1.26 -4.23 120.40 109.59 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 -0.14 0.27 -0.31 0.00 0.00 175.10 174.92 1x45 s ILE 36 N -0.09 1.14 -0.15 -0.62 -4.36 -0.81 -0.44 121.20 115.86 1x45 s ILE 36 Ca 0.06 -1.16 -0.29 0.00 -0.26 0.00 0.00 60.65 59.00 1x45 s ILE 36 Cb -0.04 -1.06 -0.05 0.00 1.25 0.00 0.00 42.46 42.55 1x45 s ILE 36 CO -0.12 -0.10 1.98 -0.63 0.24 0.00 0.00 174.94 176.31 1x45 s ILE 37 N -1.05 3.21 -0.24 8.37 1.09 -0.69 -1.09 121.20 130.79 1x45 s ILE 37 Ca 0.00 0.23 0.22 0.00 -1.10 0.00 0.00 60.65 60.00 1x45 s ILE 37 Cb -0.09 -3.22 0.02 0.00 -1.06 0.00 0.00 42.46 38.12 1x45 s ILE 37 CO 0.02 -0.10 1.09 0.00 -0.10 0.00 0.00 174.94 175.85 1x45 h ALA 38 N 12.61 0.57 -1.43 9.38 0.00 -1.19 -2.60 119.26 136.60 1x45 h ALA 38 Ca -0.41 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 54.62 1x45 h ALA 38 Cb 1.21 0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.82 1x45 h ALA 38 CO 0.97 0.11 0.79 1.21 0.00 0.00 0.00 179.25 182.33 1x45 s ASN 39 N -5.52 -0.16 -0.03 0.00 3.84 -1.23 -4.99 114.94 106.85 1x45 s ASN 39 Ca 0.00 0.07 0.05 0.00 0.21 0.00 0.00 52.86 53.19 1x45 s ASN 39 Cb 0.09 0.15 -0.01 0.00 -0.55 0.00 0.00 41.25 40.93 1x45 s ASN 39 CO 0.78 -0.22 -0.19 -0.04 -2.79 0.00 0.00 177.10 174.64 1x45 s MET 40 N -1.94 1.79 0.76 0.43 -1.94 -1.26 -0.14 119.30 117.00 1x45 s MET 40 Ca 0.07 -0.68 -0.15 0.00 -1.71 0.00 0.00 55.69 53.22 1x45 s MET 40 Cb -0.01 -1.62 0.02 0.00 2.01 0.00 0.00 34.83 35.24 1x45 s MET 40 CO -0.05 0.33 0.91 -0.12 -0.01 0.00 0.00 175.02 176.09 1x45 n MET 41 N 2.90 0.32 -0.94 2.03 1.56 -1.06 -4.84 117.12 117.09 1x45 n MET 41 Ca -0.17 0.17 -0.13 0.00 -0.27 0.00 0.00 57.70 57.30 1x45 n MET 41 Cb 0.53 -2.19 -0.05 0.00 2.15 0.00 0.00 33.22 33.66 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 -2.79 0.66 0.00 1.12 -0.00 -1.26 -3.83 115.22 109.11 1x45 n HIS 42 Ca 0.12 -1.55 0.00 0.00 0.46 0.00 0.00 57.72 56.75 1x45 n HIS 42 Cb 0.50 -1.11 0.00 0.00 -0.12 0.00 0.00 29.99 29.26 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 1.42 0.00 3.00 1.57 0.00 -1.26 -5.16 105.19 104.76 1x45 n GLY 43 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 2.21 0.22 -0.02 0.00 -1.25 -4.98 105.19 101.37 1x45 n GLY 44 Ca 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.72 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 0.56 -0.22 1.61 0.13 -1.81 -2.17 132.00 130.10 1x45 h PRO 45 Ca -0.23 -0.30 -0.21 0.00 -0.87 0.00 0.00 66.00 64.40 1x45 h PRO 45 Cb 0.97 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.12 1x45 h PRO 45 CO 0.34 0.89 -0.67 0.00 -0.23 0.00 0.00 178.00 178.32 1x45 h ALA 46 N 1.07 0.39 -0.22 -0.56 0.00 -1.74 0.24 119.26 118.45 1x45 h ALA 46 Ca 0.03 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1x45 h ALA 46 Cb 0.93 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x45 h ALA 46 CO 0.08 0.68 -0.33 1.49 0.00 0.00 0.00 179.25 181.18 1x45 h GLU 47 N 0.60 0.45 0.22 0.00 4.57 -1.76 -2.96 114.58 115.71 1x45 h GLU 47 Ca -0.02 -0.20 -0.34 0.00 -1.18 0.00 0.00 59.36 57.62 1x45 h GLU 47 Cb 1.29 -0.01 0.02 0.00 -0.16 0.00 0.00 28.75 29.89 1x45 h GLU 47 CO 0.14 0.73 -1.61 0.87 -1.18 0.00 0.00 179.01 177.96 1x45 h LYS 48 N 0.39 0.47 -0.92 1.92 1.57 -1.37 -3.31 116.57 115.31 1x45 h LYS 48 Ca 0.05 -0.80 0.17 0.00 -1.87 0.00 0.00 60.65 58.20 1x45 h LYS 48 Cb 0.77 0.30 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 1x45 h LYS 48 CO 0.06 1.38 0.59 0.66 -0.57 0.00 0.00 179.45 181.57 1x45 h SER 49 N 0.13 0.60 -0.76 0.86 4.64 -0.49 -3.45 113.55 115.09 1x45 h SER 49 Ca -0.30 0.05 -0.29 0.00 -0.47 0.00 0.00 61.79 60.78 1x45 h SER 49 Cb 2.14 -0.06 -0.12 0.00 -0.31 0.00 0.00 62.40 64.05 1x45 h SER 49 CO 0.23 0.27 -0.26 0.61 -0.87 0.00 0.00 176.83 176.80 1x45 n GLY 50 N -1.44 1.36 0.16 -0.77 0.00 -1.12 -4.81 105.19 98.57 1x45 n GLY 50 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -5.08 1.61 1.79 -1.87 -3.47 116.57 109.55 1x45 h LYS 51 Ca -0.29 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.53 1x45 h LYS 51 Cb 1.20 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.72 1x45 h LYS 51 CO 0.43 0.30 -0.50 -0.48 -1.08 0.00 0.00 179.45 178.12 1x45 s LEU 52 N -6.27 2.11 0.14 2.94 -0.00 -1.26 -4.62 118.68 111.72 1x45 s LEU 52 Ca 0.04 -1.72 -0.15 0.00 -0.00 0.00 0.00 54.13 52.30 1x45 s LEU 52 Cb 0.07 -0.44 0.02 0.00 -0.00 0.00 0.00 46.19 45.84 1x45 s LEU 52 CO 0.73 -0.96 0.39 0.20 -0.00 0.00 0.00 176.35 176.71 1x45 s ASN 53 N -3.80 -0.16 -0.30 1.48 0.01 -1.26 -4.98 114.94 105.93 1x45 s ASN 53 Ca 0.09 -0.47 -0.28 0.00 -0.71 0.00 0.00 52.86 51.49 1x45 s ASN 53 Cb 0.01 0.48 -0.05 0.00 0.41 0.00 0.00 41.25 42.09 1x45 s ASN 53 CO 0.06 -0.89 2.21 -0.63 -1.51 0.00 0.00 177.10 176.34 1x45 s ILE 54 N -3.85 3.07 0.00 0.60 -1.09 -1.26 -1.65 121.20 117.02 1x45 s ILE 54 Ca 0.07 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1x45 s ILE 54 Cb 0.02 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 1x45 s ILE 54 CO -0.08 -0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.17 1x45 n GLY 55 N 5.78 1.00 3.76 6.18 0.00 -0.98 -5.01 105.19 115.92 1x45 n GLY 55 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.94 5.94 0.12 1.61 1.11 -0.66 -3.54 116.67 120.30 1x45 s ASP 56 Ca 0.00 2.62 0.06 0.00 0.18 0.00 0.00 52.55 55.41 1x45 s ASP 56 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1x45 s ASP 56 CO 0.00 -1.10 -0.02 0.00 1.18 0.00 0.00 175.17 175.23 1x45 s GLN 57 N -2.57 2.41 -0.29 8.23 -2.07 -0.97 -1.70 119.66 122.70 1x45 s GLN 57 Ca 0.63 -0.95 -0.13 0.00 -1.82 0.00 0.00 55.36 53.09 1x45 s GLN 57 Cb -0.37 -2.44 -0.04 0.00 -1.09 0.00 0.00 33.01 29.08 1x45 s GLN 57 CO 0.45 0.51 0.27 0.42 -1.32 0.00 0.00 175.29 175.62 1x45 s ILE 58 N -1.40 5.25 0.15 3.63 1.01 0.41 0.25 121.20 130.50 1x45 s ILE 58 Ca 0.25 0.20 -0.09 0.00 0.00 0.00 0.00 60.65 61.02 1x45 s ILE 58 Cb -0.11 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 1x45 s ILE 58 CO 0.17 0.15 1.44 0.24 0.00 0.00 0.00 174.94 176.93 1x45 h MET 59 N 8.35 0.77 -3.07 2.79 2.86 -0.14 -3.39 114.93 123.09 1x45 h MET 59 Ca -0.33 -0.49 0.03 0.00 -2.06 0.00 0.00 59.70 56.85 1x45 h MET 59 Cb 1.17 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.85 1x45 h MET 59 CO 0.60 1.12 0.21 -1.54 1.06 0.00 0.00 176.91 178.36 1x45 s SER 60 N -6.95 -0.16 -0.30 1.22 1.04 -1.23 -3.35 113.70 103.98 1x45 s SER 60 Ca -0.09 -0.79 -0.00 0.00 0.48 0.00 0.00 55.95 55.54 1x45 s SER 60 Cb 0.10 0.75 0.09 0.00 0.10 0.00 0.00 66.02 67.07 1x45 s SER 60 CO 0.88 -1.42 0.08 -0.63 0.98 0.00 0.00 173.24 173.12 1x45 s ILE 61 N -3.50 1.02 -1.91 -1.02 1.01 0.04 -2.27 121.20 114.57 1x45 s ILE 61 Ca 0.13 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1x45 s ILE 61 Cb -0.05 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1x45 s ILE 61 CO 0.09 -0.59 0.00 0.59 0.00 0.00 0.00 174.94 175.02 1x45 n ASN 62 N 4.80 -5.56 0.00 3.58 3.02 0.26 -1.79 115.26 119.57 1x45 n ASN 62 Ca -0.03 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1x45 n ASN 62 Cb 0.43 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 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 -0.77 1.08 3.24 7.41 0.00 -1.26 -5.03 105.19 109.87 1x45 n GLY 63 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 3.45 -0.05 2.61 2.01 -0.74 -5.07 115.64 115.85 1x45 s THR 64 Ca 0.00 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.58 1x45 s THR 64 Cb 0.00 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 1x45 s THR 64 CO 0.00 -0.07 1.57 -0.44 -0.69 0.00 0.00 174.62 175.00 1x45 s SER 65 N 1.36 6.72 0.19 3.53 0.01 -1.26 -0.78 113.70 123.46 1x45 s SER 65 Ca -0.02 2.17 0.23 0.00 1.31 0.00 0.00 55.95 59.64 1x45 s SER 65 Cb -0.19 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.58 1x45 s SER 65 CO 0.01 -0.88 1.11 -0.07 0.41 0.00 0.00 173.24 173.82 1x45 h LEU 66 N 9.82 0.00 -8.89 2.44 3.38 -1.86 -3.46 115.31 116.74 1x45 h LEU 66 Ca -0.38 -0.06 -0.77 0.00 0.09 0.00 0.00 57.88 56.76 1x45 h LEU 66 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1x45 h LEU 66 CO 0.95 0.03 0.96 0.52 0.09 0.00 0.00 178.44 180.99 1x45 n VAL 67 N -2.55 0.18 0.00 1.22 0.31 -1.26 0.06 118.33 116.28 1x45 n VAL 67 Ca 0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1x45 n VAL 67 Cb 0.52 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 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 4.84 3.11 3.77 2.92 0.00 -1.26 -5.04 105.19 113.54 1x45 n GLY 68 Ca 0.33 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 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 5.07 -4.77 0.99 4.77 0.11 -4.98 117.00 118.20 1x45 n LEU 69 Ca 0.00 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.82 1x45 n LEU 69 Cb 0.00 -1.61 0.09 0.00 -2.33 0.00 0.00 43.42 39.57 1x45 n LEU 69 CO 0.00 -0.05 0.70 -2.16 -1.33 0.00 0.00 177.39 174.55 1x45 s PRO 70 N -2.36 2.24 0.29 3.23 0.04 -1.26 -4.78 135.00 132.40 1x45 s PRO 70 Ca 0.59 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1x45 s PRO 70 Cb -0.45 -1.89 0.46 0.00 0.04 0.00 0.00 34.50 32.65 1x45 s PRO 70 CO 0.59 -1.66 1.93 1.25 0.04 0.00 0.00 177.00 179.16 1x45 h LEU 71 N -1.14 0.96 -0.51 -3.56 5.85 -1.94 -1.13 115.31 113.85 1x45 h LEU 71 Ca -0.44 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1x45 h LEU 71 Cb 1.23 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1x45 h LEU 71 CO 0.51 0.65 0.18 0.77 -0.34 0.00 0.00 178.44 180.22 1x45 h SER 72 N 1.11 0.72 0.53 1.25 4.64 -1.99 -2.49 113.55 117.32 1x45 h SER 72 Ca 0.36 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1x45 h SER 72 Cb 0.05 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1x45 h SER 72 CO -0.11 0.71 -0.25 0.74 -0.87 0.00 0.00 176.83 177.05 1x45 h THR 73 N 0.68 0.00 -1.00 2.95 2.02 -1.77 -3.09 112.91 112.71 1x45 h THR 73 Ca 0.17 -0.18 0.36 0.00 0.77 0.00 0.00 66.41 67.53 1x45 h THR 73 Cb 0.24 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.48 1x45 h THR 73 CO -0.01 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.40 1x45 h GLN 75 N 0.15 -0.42 -0.62 0.00 4.20 -1.38 -2.05 115.11 114.99 1x45 h GLN 75 Ca 0.78 0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.63 1x45 h GLN 75 Cb 1.91 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 29.70 1x45 h GLN 75 CO -0.70 -0.28 0.14 1.03 -0.67 0.00 0.00 178.83 178.34 1x45 h SER 76 N -0.44 0.01 0.16 1.46 0.87 -0.49 0.56 113.55 115.68 1x45 h SER 76 Ca 0.05 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1x45 h SER 76 Cb 0.50 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1x45 h SER 76 CO -0.20 0.01 0.00 0.40 -0.53 0.00 0.00 176.83 176.50 1x45 h ILE 77 N 0.26 0.00 0.00 2.23 2.04 -1.13 0.15 117.51 121.06 1x45 h ILE 77 Ca 0.33 -0.07 -0.34 0.00 1.00 0.00 0.00 64.86 65.78 1x45 h ILE 77 Cb 0.50 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1x45 h ILE 77 CO -0.42 0.00 -2.12 -0.38 0.00 0.00 0.00 178.15 175.24 1x45 n ILE 78 N -2.81 1.48 0.15 -0.67 5.41 0.16 -4.22 119.36 118.87 1x45 n ILE 78 Ca -0.02 -0.83 0.04 0.00 1.00 0.00 0.00 62.75 62.94 1x45 n ILE 78 Cb 0.10 -0.73 0.08 0.00 -0.71 0.00 0.00 39.64 38.39 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 0.00 0.38 2.10 0.39 -3.14 116.57 116.30 1x45 h LYS 79 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1x45 h LYS 79 Cb 2.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.48 1x45 h LYS 79 CO 0.05 0.43 0.00 0.41 -2.00 0.00 0.00 179.45 178.34 1x45 n GLY 80 N 1.09 -0.76 0.65 0.07 0.00 -0.05 -2.68 105.19 103.51 1x45 n GLY 80 Ca 0.02 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.87 1.96 0.26 0.99 4.77 -1.19 -4.04 117.00 118.88 1x45 n LEU 81 Ca 0.13 -0.78 0.11 0.00 -0.03 0.00 0.00 56.01 55.45 1x45 n LEU 81 Cb 0.06 -0.10 0.68 0.00 -2.33 0.00 0.00 43.42 41.74 1x45 n LEU 81 CO 0.10 0.39 0.95 0.50 -1.33 0.00 0.00 177.39 178.01 1x45 h LYS 82 N 2.70 0.00 -0.30 3.23 3.64 -1.67 -1.01 116.57 123.17 1x45 h LYS 82 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x45 h LYS 82 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1x45 h LYS 82 CO 0.00 0.14 0.00 -1.71 -2.27 0.00 0.00 179.45 175.61 1x45 n ASN 83 N -3.73 1.75 -3.96 4.20 2.85 -1.26 0.14 115.26 115.24 1x45 n ASN 83 Ca -0.02 -1.94 -0.21 0.00 -0.11 0.00 0.00 54.58 52.30 1x45 n ASN 83 Cb 0.25 -0.20 -0.16 0.00 1.24 0.00 0.00 39.78 40.91 1x45 n ASN 83 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x45 s GLN 84 N -1.60 1.13 -0.09 1.20 -2.07 -0.38 -4.82 119.66 113.02 1x45 s GLN 84 Ca 0.24 -0.25 -0.10 0.00 -1.82 0.00 0.00 55.36 53.43 1x45 s GLN 84 Cb 0.13 -1.02 -0.08 0.00 -1.09 0.00 0.00 33.01 30.95 1x45 s GLN 84 CO 0.17 0.01 0.33 0.66 -1.32 0.00 0.00 175.29 175.14 1x45 h SER 85 N 6.88 -0.08 -3.61 12.60 4.64 -1.80 -3.42 113.55 128.76 1x45 h SER 85 Ca -0.35 -0.23 -0.62 0.00 -0.47 0.00 0.00 61.79 60.12 1x45 h SER 85 Cb 1.17 0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 1x45 h SER 85 CO 0.48 0.52 -0.11 -0.60 -0.87 0.00 0.00 176.83 176.25 1x45 s ARG 86 N -2.11 4.07 -0.03 4.77 3.52 -1.26 -0.69 118.95 127.23 1x45 s ARG 86 Ca -0.06 0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.79 1x45 s ARG 86 Cb -0.00 -3.64 -0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1x45 s ARG 86 CO 0.22 -0.28 -0.12 0.08 -0.81 0.00 0.00 175.30 174.38 1x45 s VAL 87 N 2.09 1.02 -0.19 7.11 1.01 -0.87 -5.00 120.40 125.58 1x45 s VAL 87 Ca 0.19 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 1x45 s VAL 87 Cb -0.16 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1x45 s VAL 87 CO 0.09 0.30 0.10 -0.75 0.00 0.00 0.00 175.10 174.84 1x45 s LYS 88 N 0.03 4.05 -0.05 2.72 2.20 -1.26 -1.18 119.74 126.24 1x45 s LYS 88 Ca -0.01 -0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 55.25 1x45 s LYS 88 Cb -0.09 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 1x45 s LYS 88 CO 0.01 0.31 0.18 -0.51 -0.36 0.00 0.00 175.35 174.98 1x45 s LEU 89 N 0.29 1.34 -0.25 5.43 1.43 0.38 0.93 118.68 128.23 1x45 s LEU 89 Ca 0.06 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.26 1x45 s LEU 89 Cb -0.12 0.65 -0.04 0.00 0.03 0.00 0.00 46.19 46.72 1x45 s LEU 89 CO -0.01 -0.13 0.41 0.21 0.23 0.00 0.00 176.35 177.07 1x45 s ASN 90 N -0.21 6.35 0.08 2.29 3.04 -0.96 0.53 114.94 126.06 1x45 s ASN 90 Ca -0.03 0.41 0.05 0.00 0.04 0.00 0.00 52.86 53.33 1x45 s ASN 90 Cb -0.03 -2.23 -0.04 0.00 -1.54 0.00 0.00 41.25 37.41 1x45 s ASN 90 CO 0.01 -0.18 -0.03 -0.63 -3.04 0.00 0.00 177.10 173.23 1x45 s ILE 91 N 1.92 3.85 -0.21 -5.21 -1.09 -0.47 0.63 121.20 120.62 1x45 s ILE 91 Ca 0.18 -1.02 -0.04 0.00 -2.23 0.00 0.00 60.65 57.53 1x45 s ILE 91 Cb -0.15 -2.81 0.10 0.00 -1.58 0.00 0.00 42.46 38.01 1x45 s ILE 91 CO 0.09 0.15 0.23 -0.69 -1.23 0.00 0.00 174.94 173.49 1x45 s VAL 92 N -1.26 -0.35 -0.45 2.92 1.01 0.14 -1.27 120.40 121.14 1x45 s VAL 92 Ca 0.24 -0.12 -0.41 0.00 0.00 0.00 0.00 61.98 61.70 1x45 s VAL 92 Cb -0.11 -0.69 -0.17 0.00 0.00 0.00 0.00 36.38 35.40 1x45 s VAL 92 CO 0.16 -0.20 1.70 -1.54 0.00 0.00 0.00 175.10 175.22 1x45 n SER 93 N 5.32 0.86 -3.48 3.32 3.41 -1.26 -2.29 113.62 119.50 1x45 n SER 93 Ca -0.05 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1x45 n SER 93 Cb 0.50 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1x45 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x45 n GLY 94 N 5.29 -2.43 3.73 5.00 0.00 -1.23 -4.83 105.19 110.70 1x45 n GLY 94 Ca 0.39 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.37 4.36 -0.57 1.61 0.04 -1.26 -4.99 135.00 133.82 1x45 s PRO 95 Ca 0.00 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 1x45 s PRO 95 Cb 0.00 -3.23 0.15 0.00 0.04 0.00 0.00 34.50 31.46 1x45 s PRO 95 CO 0.00 -0.33 0.41 0.45 0.04 0.00 0.00 177.00 177.57 1x45 s SER 96 N 0.69 5.50 -1.53 6.66 0.15 -1.26 -4.68 113.70 119.24 1x45 s SER 96 Ca 0.60 -2.48 -0.13 0.00 0.70 0.00 0.00 55.95 54.64 1x45 s SER 96 Cb -0.36 -1.92 0.08 0.00 -1.71 0.00 0.00 66.02 62.11 1x45 s SER 96 CO 0.34 -0.49 0.91 -0.24 1.20 0.00 0.00 173.24 174.96 1x45 n SER 97 N 4.05 -4.07 0.00 5.45 2.88 -1.26 -5.25 113.62 115.41 1x45 n SER 97 Ca 0.03 -0.82 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 1x45 n SER 97 Cb 0.40 -3.72 0.00 0.00 -0.75 0.00 0.00 64.21 60.14 1x45 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42