#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 6.23 -1.59 1.61 0.01 -1.26 -4.58 113.70 114.12 1x45 s SER 2 Ca 0.00 -1.94 -0.11 0.00 1.31 0.00 0.00 55.95 55.21 1x45 s SER 2 Cb 0.00 -2.19 0.09 0.00 0.21 0.00 0.00 66.02 64.13 1x45 s SER 2 CO 0.00 -0.80 0.59 -1.20 0.41 0.00 0.00 173.24 172.24 1x45 n SER 3 N 5.02 -1.89 -1.11 2.44 7.64 -1.26 -4.95 113.62 119.51 1x45 n SER 3 Ca -0.09 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1x45 n SER 3 Cb 0.41 -2.74 0.00 0.00 -1.01 0.00 0.00 64.21 60.87 1x45 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 4 N -1.70 1.10 0.11 0.23 0.00 -1.26 -5.07 105.19 98.60 1x45 n GLY 4 Ca -0.09 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.79 1x45 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x45 n SER 5 N -0.58 1.91 -4.55 1.61 2.88 -1.26 -4.80 113.62 108.83 1x45 n SER 5 Ca 0.00 0.39 -0.36 0.00 -1.33 0.00 0.00 58.87 57.57 1x45 n SER 5 Cb 0.00 -0.85 -0.03 0.00 -0.75 0.00 0.00 64.21 62.58 1x45 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x45 s SER 6 N -6.84 5.48 0.00 -3.46 1.04 -1.26 -4.76 113.70 103.90 1x45 s SER 6 Ca -0.32 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1x45 s SER 6 Cb 0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1x45 s SER 6 CO 0.47 -2.31 0.00 0.61 0.98 0.00 0.00 173.24 173.00 1x45 n GLY 7 N 6.01 1.16 3.74 7.32 0.00 0.15 -4.89 105.19 118.68 1x45 n GLY 7 Ca 0.23 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1x45 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x45 s ASP 8 N 2.00 7.35 0.05 1.61 -1.08 -1.26 0.17 116.67 125.51 1x45 s ASP 8 Ca 0.00 2.00 0.06 0.00 -0.52 0.00 0.00 52.55 54.09 1x45 s ASP 8 Cb 0.00 -2.60 -0.03 0.00 -1.46 0.00 0.00 42.92 38.83 1x45 s ASP 8 CO 0.00 -0.16 -0.18 -0.69 0.52 0.00 0.00 175.17 174.67 1x45 s VAL 9 N -0.23 1.40 -0.22 1.11 1.01 0.28 -4.88 120.40 118.87 1x45 s VAL 9 Ca 0.48 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1x45 s VAL 9 Cb -0.28 -1.25 0.06 0.00 0.00 0.00 0.00 36.38 34.91 1x45 s VAL 9 CO 0.33 0.05 -0.02 -0.36 0.00 0.00 0.00 175.10 175.11 1x45 s PHE 10 N -0.90 1.90 -0.54 5.22 0.08 -1.26 -0.24 117.98 122.24 1x45 s PHE 10 Ca 0.04 -1.44 -0.20 0.00 0.12 0.00 0.00 56.93 55.46 1x45 s PHE 10 Cb -0.09 -1.39 0.07 0.00 -0.57 0.00 0.00 43.02 41.04 1x45 s PHE 10 CO 0.02 -0.72 0.68 0.42 -0.10 0.00 0.00 175.22 175.52 1x45 s ILE 11 N 1.56 4.80 -0.47 0.64 -1.09 -0.78 -4.96 121.20 120.91 1x45 s ILE 11 Ca -0.04 -0.57 -0.25 0.00 -2.23 0.00 0.00 60.65 57.57 1x45 s ILE 11 Cb -0.18 -4.38 0.03 0.00 -1.58 0.00 0.00 42.46 36.35 1x45 s ILE 11 CO -0.07 -0.94 0.88 -1.61 -1.23 0.00 0.00 174.94 171.97 1x45 s GLU 12 N 2.79 3.47 0.26 2.79 2.02 -1.26 -3.10 118.70 125.67 1x45 s GLU 12 Ca 0.15 0.04 0.04 0.00 0.02 0.00 0.00 54.97 55.22 1x45 s GLU 12 Cb -0.20 -3.94 -0.02 0.00 0.10 0.00 0.00 34.13 30.07 1x45 s GLU 12 CO 0.11 -1.21 0.15 0.36 0.02 0.00 0.00 175.26 174.68 1x45 n LYS 13 N 7.05 0.48 -4.00 1.61 2.85 0.02 -4.92 118.16 121.25 1x45 n LYS 13 Ca 0.05 -2.35 -0.30 0.00 -1.05 0.00 0.00 58.31 54.66 1x45 n LYS 13 Cb 0.48 1.61 -0.05 0.00 -0.65 0.00 0.00 35.03 36.42 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 -3.01 3.12 0.48 -1.58 -0.21 -1.26 -4.37 119.66 112.83 1x45 s GLN 14 Ca 0.21 -0.61 -0.22 0.00 0.02 0.00 0.00 55.36 54.76 1x45 s GLN 14 Cb 0.01 -2.85 -0.07 0.00 1.00 0.00 0.00 33.01 31.11 1x45 s GLN 14 CO 0.15 0.57 1.20 0.15 -2.12 0.00 0.00 175.29 175.24 1x45 s LYS 15 N -2.55 3.61 0.00 2.91 1.02 -1.26 -3.01 119.74 120.46 1x45 s LYS 15 Ca 0.32 1.84 0.00 0.00 0.02 0.00 0.00 55.97 58.15 1x45 s LYS 15 Cb -0.12 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1x45 s LYS 15 CO 0.25 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 1x45 n GLY 16 N 0.48 3.28 3.94 -3.33 0.00 0.59 -4.98 105.19 105.18 1x45 n GLY 16 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.63 3.39 0.64 1.61 0.41 -1.16 -4.96 118.70 117.99 1x45 s GLU 17 Ca 0.00 -0.71 -0.05 0.00 -0.41 0.00 0.00 54.97 53.80 1x45 s GLU 17 Cb 0.00 -2.90 0.04 0.00 -1.78 0.00 0.00 34.13 29.49 1x45 s GLU 17 CO 0.00 0.47 0.93 0.96 -0.49 0.00 0.00 175.26 177.14 1x45 s ILE 18 N -1.87 2.85 -2.00 -1.63 -4.36 -1.26 -4.17 121.20 108.75 1x45 s ILE 18 Ca 0.34 -0.24 0.16 0.00 -0.26 0.00 0.00 60.65 60.65 1x45 s ILE 18 Cb -0.10 -3.17 0.45 0.00 1.25 0.00 0.00 42.46 40.89 1x45 s ILE 18 CO 0.28 -0.17 1.39 -0.11 0.24 0.00 0.00 174.94 176.57 1x45 n LEU 19 N -2.70 0.00 -4.39 0.37 7.94 -1.26 -4.56 117.00 112.39 1x45 n LEU 19 Ca 0.07 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.61 1x45 n LEU 19 Cb 0.59 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.45 1x45 n LEU 19 CO 0.51 0.00 -0.36 0.61 -1.11 0.00 0.00 177.39 177.04 1x45 n GLY 20 N 0.25 -0.22 3.10 -3.96 0.00 -1.26 -3.22 105.19 99.87 1x45 n GLY 20 Ca 0.12 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.95 -0.01 -0.05 1.61 0.11 -1.26 -2.02 120.40 114.82 1x45 s VAL 21 Ca 0.31 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.36 1x45 s VAL 21 Cb -0.18 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1x45 s VAL 21 CO 1.00 0.01 0.10 -0.69 -3.33 0.00 0.00 175.10 172.19 1x45 s VAL 22 N 0.38 4.97 0.20 2.04 1.01 -0.29 -5.01 120.40 123.69 1x45 s VAL 22 Ca -0.02 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1x45 s VAL 22 Cb -0.04 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1x45 s VAL 22 CO -0.02 0.47 -0.12 0.27 0.00 0.00 0.00 175.10 175.70 1x45 s ILE 23 N -1.10 1.58 0.19 2.22 -4.36 -1.26 -0.04 121.20 118.42 1x45 s ILE 23 Ca 0.19 -2.17 -0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1x45 s ILE 23 Cb -0.12 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.56 1x45 s ILE 23 CO 0.09 -0.61 0.25 1.33 0.24 0.00 0.00 174.94 176.25 1x45 n VAL 24 N -0.35 0.00 -2.54 8.37 0.24 -0.33 -4.75 118.33 118.97 1x45 n VAL 24 Ca -0.08 -1.03 -0.42 0.00 -2.04 0.00 0.00 64.34 60.76 1x45 n VAL 24 Cb 0.61 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.56 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 -2.49 4.40 -0.09 7.34 2.02 -1.26 -2.36 118.70 126.26 1x45 s GLU 25 Ca 0.17 1.59 -0.00 0.00 0.02 0.00 0.00 54.97 56.74 1x45 s GLU 25 Cb -0.00 -3.52 0.07 0.00 0.10 0.00 0.00 34.13 30.79 1x45 s GLU 25 CO 0.12 -0.35 1.79 0.43 0.02 0.00 0.00 175.26 177.27 1x45 n SER 26 N 4.85 5.05 -1.58 -0.19 7.64 -1.26 -4.51 113.62 123.63 1x45 n SER 26 Ca 0.10 -2.52 -0.07 0.00 1.01 0.00 0.00 58.87 57.39 1x45 n SER 26 Cb 0.47 -0.97 0.02 0.00 -1.01 0.00 0.00 64.21 62.73 1x45 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 27 N 0.92 3.07 2.73 0.23 0.00 -1.26 -4.39 105.19 106.49 1x45 n GLY 27 Ca 0.09 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 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 0.78 3.13 -3.19 1.61 7.02 -1.26 -4.86 117.44 120.68 1x45 n TRP 28 Ca 0.13 -3.37 -0.07 0.00 -1.02 0.00 0.00 57.50 53.18 1x45 n TRP 28 Cb 0.59 -0.87 0.02 0.00 -2.42 0.00 0.00 31.31 28.63 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 0.65 -1.22 3.23 6.99 0.00 -1.26 -4.95 105.19 108.63 1x45 n GLY 29 Ca 0.32 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.71 1x45 n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 s SER 30 N -3.11 1.05 -0.11 1.61 0.01 -1.26 -4.72 113.70 107.17 1x45 s SER 30 Ca 0.13 -1.20 -0.08 0.00 1.31 0.00 0.00 55.95 56.11 1x45 s SER 30 Cb -0.02 0.15 -0.07 0.00 0.21 0.00 0.00 66.02 66.29 1x45 s SER 30 CO 0.76 -0.61 0.20 0.40 0.41 0.00 0.00 173.24 174.41 1x45 h ILE 31 N 2.70 0.49 -3.51 1.44 5.03 -1.95 -3.42 117.51 118.28 1x45 h ILE 31 Ca -0.37 -1.37 -0.73 0.00 -0.12 0.00 0.00 64.86 62.27 1x45 h ILE 31 Cb 1.21 0.92 -0.30 0.00 -3.03 0.00 0.00 36.82 35.62 1x45 h ILE 31 CO 0.62 0.16 -0.25 -0.76 -0.68 0.00 0.00 178.15 177.24 1x45 s LEU 32 N -8.45 5.84 -1.01 1.44 2.01 -1.26 -5.02 118.68 112.23 1x45 s LEU 32 Ca -0.06 -2.42 -0.24 0.00 0.01 0.00 0.00 54.13 51.43 1x45 s LEU 32 Cb -0.01 -2.02 -0.06 0.00 0.01 0.00 0.00 46.19 44.11 1x45 s LEU 32 CO 0.19 -0.56 1.94 -2.16 1.01 0.00 0.00 176.35 176.77 1x45 s PRO 33 N 0.60 2.53 0.00 1.29 0.04 -1.26 -4.69 135.00 133.51 1x45 s PRO 33 Ca 0.12 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.55 1x45 s PRO 33 Cb -0.20 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1x45 s PRO 33 CO -0.04 -3.60 0.00 0.25 0.04 0.00 0.00 177.00 173.65 1x45 n THR 34 N 7.85 0.00 -3.64 1.26 -2.24 -1.26 -3.82 114.28 112.43 1x45 n THR 34 Ca 0.42 0.14 -0.04 0.00 -2.27 0.00 0.00 64.05 62.29 1x45 n THR 34 Cb 0.47 -1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 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 -0.39 0.00 0.09 2.28 -7.23 -1.26 -4.40 120.40 109.49 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 -0.19 1.18 0.02 -0.62 -4.36 -1.00 -0.48 121.20 115.75 1x45 s ILE 36 Ca 0.06 -1.50 -0.30 0.00 -0.26 0.00 0.00 60.65 58.65 1x45 s ILE 36 Cb -0.04 -1.28 -0.07 0.00 1.25 0.00 0.00 42.46 42.31 1x45 s ILE 36 CO -0.12 -0.34 1.67 -0.63 0.24 0.00 0.00 174.94 175.77 1x45 s ILE 37 N -1.74 3.24 -0.13 8.37 1.09 -0.69 -1.19 121.20 130.15 1x45 s ILE 37 Ca 0.03 0.54 0.19 0.00 -1.10 0.00 0.00 60.65 60.31 1x45 s ILE 37 Cb -0.07 -3.35 -0.20 0.00 -1.06 0.00 0.00 42.46 37.78 1x45 s ILE 37 CO 0.02 -0.02 0.58 0.00 -0.10 0.00 0.00 174.94 175.42 1x45 n ALA 38 N 6.27 2.16 -3.57 9.38 0.00 0.94 -2.69 120.51 133.01 1x45 n ALA 38 Ca 0.17 -0.68 -0.06 0.00 0.00 0.00 0.00 53.44 52.86 1x45 n ALA 38 Cb 0.41 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 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 -5.30 -0.24 -0.03 0.00 2.47 -1.22 -5.00 114.94 105.63 1x45 s ASN 39 Ca -0.06 0.08 0.05 0.00 0.42 0.00 0.00 52.86 53.35 1x45 s ASN 39 Cb 0.10 0.23 -0.01 0.00 -1.45 0.00 0.00 41.25 40.12 1x45 s ASN 39 CO 0.84 -0.35 -0.19 -0.04 -3.72 0.00 0.00 177.10 173.65 1x45 s MET 40 N -2.27 1.76 0.84 0.43 -1.94 -1.26 -1.14 119.30 115.72 1x45 s MET 40 Ca 0.06 -0.67 -0.12 0.00 -1.71 0.00 0.00 55.69 53.25 1x45 s MET 40 Cb -0.01 -1.59 0.10 0.00 2.01 0.00 0.00 34.83 35.35 1x45 s MET 40 CO -0.05 0.32 1.18 1.41 -0.01 0.00 0.00 175.02 177.87 1x45 s MET 41 N -0.17 1.43 -0.27 2.03 1.75 -0.86 -4.88 119.30 118.32 1x45 s MET 41 Ca 0.01 1.67 -0.00 0.00 -1.25 0.00 0.00 55.69 56.12 1x45 s MET 41 Cb -0.10 -1.76 0.24 0.00 2.84 0.00 0.00 34.83 36.05 1x45 s MET 41 CO 0.01 -2.35 1.83 -2.39 -0.65 0.00 0.00 175.02 171.47 1x45 n HIS 42 N -3.63 1.46 0.00 4.11 1.44 -1.26 -4.03 115.22 113.30 1x45 n HIS 42 Ca 0.13 -1.67 0.00 0.00 -2.01 0.00 0.00 57.72 54.17 1x45 n HIS 42 Cb 0.51 -0.82 0.00 0.00 0.12 0.00 0.00 29.99 29.80 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x45 n GLY 43 N 0.19 0.00 3.86 -1.39 0.00 -1.26 -5.13 105.19 101.45 1x45 n GLY 43 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 2.34 0.18 -0.02 0.00 -1.26 -4.99 105.19 101.44 1x45 n GLY 44 Ca 0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 46.02 43.74 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 0.20 -0.03 1.61 0.13 -1.81 -2.39 132.00 129.71 1x45 h PRO 45 Ca -0.31 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 1x45 h PRO 45 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1x45 h PRO 45 CO 0.46 0.63 -0.31 0.00 -0.23 0.00 0.00 178.00 178.55 1x45 h ALA 46 N 1.36 0.07 -0.49 -0.56 0.00 -1.78 0.18 119.26 118.05 1x45 h ALA 46 Ca 0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1x45 h ALA 46 Cb 0.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1x45 h ALA 46 CO 0.07 0.14 0.20 1.49 0.00 0.00 0.00 179.25 181.15 1x45 h GLU 47 N -0.32 0.69 0.23 0.00 4.57 -1.78 -2.66 114.58 115.31 1x45 h GLU 47 Ca -0.03 -0.09 -0.34 0.00 -1.18 0.00 0.00 59.36 57.71 1x45 h GLU 47 Cb 1.01 -0.13 0.03 0.00 -0.16 0.00 0.00 28.75 29.50 1x45 h GLU 47 CO 0.06 0.57 -1.58 0.87 -1.18 0.00 0.00 179.01 177.75 1x45 h LYS 48 N 0.69 0.48 -0.74 1.92 1.57 -1.47 -3.33 116.57 115.69 1x45 h LYS 48 Ca 0.17 -0.82 0.15 0.00 -1.87 0.00 0.00 60.65 58.27 1x45 h LYS 48 Cb 0.13 0.31 -0.10 0.00 0.08 0.00 0.00 32.23 32.65 1x45 h LYS 48 CO -0.02 1.39 0.25 0.66 -0.57 0.00 0.00 179.45 181.17 1x45 h SER 49 N 0.13 0.18 -0.19 0.86 4.64 -0.41 -3.45 113.55 115.30 1x45 h SER 49 Ca -0.29 0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 1x45 h SER 49 Cb 2.14 0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 64.33 1x45 h SER 49 CO 0.24 0.05 -0.08 0.61 -0.87 0.00 0.00 176.83 176.78 1x45 n GLY 50 N -1.33 0.54 0.21 -0.77 0.00 -1.02 -4.84 105.19 97.97 1x45 n GLY 50 Ca 0.14 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 0.23 0.00 0.00 1.61 1.79 -1.88 -3.46 116.57 114.86 1x45 h LYS 51 Ca -0.08 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.83 1x45 h LYS 51 Cb 0.75 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.29 1x45 h LYS 51 CO 0.12 0.14 -0.44 1.47 -1.08 0.00 0.00 179.45 179.66 1x45 n LEU 52 N -3.15 0.00 -3.59 2.94 -0.00 -1.26 -5.00 117.00 106.94 1x45 n LEU 52 Ca 0.03 -2.91 -0.12 0.00 -0.00 0.00 0.00 56.01 53.02 1x45 n LEU 52 Cb 0.55 0.65 -0.04 0.00 -0.00 0.00 0.00 43.42 44.57 1x45 n LEU 52 CO 0.35 -0.43 0.23 0.20 -0.00 0.00 0.00 177.39 177.73 1x45 s ASN 53 N -3.44 -0.34 -0.34 1.45 0.01 -1.26 -5.06 114.94 105.96 1x45 s ASN 53 Ca 0.10 -0.13 -0.29 0.00 -0.71 0.00 0.00 52.86 51.82 1x45 s ASN 53 Cb 0.00 0.49 -0.08 0.00 0.41 0.00 0.00 41.25 42.08 1x45 s ASN 53 CO 0.07 -0.83 2.28 -0.38 -1.51 0.00 0.00 177.10 176.73 1x45 n ILE 54 N -0.05 0.19 0.00 0.60 2.08 -1.26 -1.21 119.36 119.71 1x45 n ILE 54 Ca -0.17 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.66 1x45 n ILE 54 Cb 0.63 -2.32 0.00 0.00 -0.75 0.00 0.00 39.64 37.19 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 6.05 1.01 3.76 7.39 0.00 -1.09 -5.01 105.19 117.29 1x45 n GLY 55 Ca 0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 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 5.66 0.13 1.61 1.11 -0.35 -3.59 116.67 120.30 1x45 s ASP 56 Ca 0.00 2.56 0.07 0.00 0.18 0.00 0.00 52.55 55.36 1x45 s ASP 56 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1x45 s ASP 56 CO 0.00 -1.29 -0.06 0.00 1.18 0.00 0.00 175.17 175.00 1x45 s GLN 57 N -2.83 2.24 -0.29 8.23 -2.07 -0.99 -1.71 119.66 122.25 1x45 s GLN 57 Ca 0.68 -1.07 -0.12 0.00 -1.82 0.00 0.00 55.36 53.04 1x45 s GLN 57 Cb -0.35 -2.32 -0.04 0.00 -1.09 0.00 0.00 33.01 29.20 1x45 s GLN 57 CO 0.42 0.48 0.23 0.42 -1.32 0.00 0.00 175.29 175.52 1x45 s ILE 58 N -1.45 5.28 0.06 3.63 1.01 0.37 0.28 121.20 130.38 1x45 s ILE 58 Ca 0.24 0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.89 1x45 s ILE 58 Cb -0.10 -3.59 -0.14 0.00 0.01 0.00 0.00 42.46 38.64 1x45 s ILE 58 CO 0.16 0.19 1.31 0.24 0.00 0.00 0.00 174.94 176.84 1x45 h MET 59 N 8.36 0.53 -3.47 2.79 2.86 -0.27 -3.39 114.93 122.34 1x45 h MET 59 Ca -0.34 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 56.87 1x45 h MET 59 Cb 1.18 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 1x45 h MET 59 CO 0.58 0.96 0.04 -1.54 1.06 0.00 0.00 176.91 178.01 1x45 s SER 60 N -6.50 0.19 -0.24 1.22 1.04 -1.24 -2.89 113.70 105.28 1x45 s SER 60 Ca -0.13 -1.11 -0.02 0.00 0.48 0.00 0.00 55.95 55.18 1x45 s SER 60 Cb 0.06 0.72 0.07 0.00 0.10 0.00 0.00 66.02 66.97 1x45 s SER 60 CO 0.81 -1.40 0.05 -0.63 0.98 0.00 0.00 173.24 173.04 1x45 s ILE 61 N -3.17 0.75 -1.80 -1.02 1.01 0.83 -2.39 121.20 115.42 1x45 s ILE 61 Ca 0.21 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1x45 s ILE 61 Cb -0.03 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1x45 s ILE 61 CO 0.13 -0.36 0.00 0.59 0.00 0.00 0.00 174.94 175.29 1x45 n ASN 62 N 4.94 -5.53 0.00 3.58 3.02 0.24 -1.25 115.26 120.27 1x45 n ASN 62 Ca -0.07 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1x45 n ASN 62 Cb 0.45 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 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 -0.82 0.96 3.13 7.41 0.00 -1.26 -5.03 105.19 109.57 1x45 n GLY 63 Ca -0.22 -0.03 -0.34 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 2.87 0.36 2.61 2.01 -0.38 -5.09 115.64 116.02 1x45 s THR 64 Ca 0.00 -1.71 -0.28 0.00 0.31 0.00 0.00 61.69 60.00 1x45 s THR 64 Cb 0.00 -2.80 -0.11 0.00 0.01 0.00 0.00 72.50 69.60 1x45 s THR 64 CO 0.00 -0.31 1.49 -0.94 -0.69 0.00 0.00 174.62 174.17 1x45 s SER 65 N 1.33 6.38 -0.12 3.53 1.04 -1.26 -0.12 113.70 124.47 1x45 s SER 65 Ca -0.00 3.01 0.17 0.00 0.48 0.00 0.00 55.95 59.60 1x45 s SER 65 Cb -0.20 -2.66 -0.24 0.00 0.10 0.00 0.00 66.02 63.01 1x45 s SER 65 CO -0.03 -0.85 0.18 0.18 0.98 0.00 0.00 173.24 173.69 1x45 n LEU 66 N 0.78 0.00 -4.11 2.42 4.77 -1.14 -4.89 117.00 114.83 1x45 n LEU 66 Ca 0.02 0.00 -0.58 0.00 -0.03 0.00 0.00 56.01 55.43 1x45 n LEU 66 Cb 0.39 0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1x45 n LEU 66 CO 0.63 0.29 0.87 0.55 -1.33 0.00 0.00 177.39 178.41 1x45 n VAL 67 N -2.48 0.00 0.00 4.08 3.14 -1.26 0.53 118.33 122.34 1x45 n VAL 67 Ca -0.20 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1x45 n VAL 67 Cb 0.88 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 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 2.93 3.07 3.77 7.55 0.00 -1.25 -5.04 105.19 116.22 1x45 n GLY 68 Ca 0.25 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 4.19 0.78 0.99 1.43 0.19 -4.99 118.68 121.27 1x45 s LEU 69 Ca 0.00 2.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 1x45 s LEU 69 Cb 0.00 -3.87 0.06 0.00 0.03 0.00 0.00 46.19 42.41 1x45 s LEU 69 CO 0.00 -1.01 1.09 -2.16 0.23 0.00 0.00 176.35 174.50 1x45 s PRO 70 N -2.30 2.22 0.28 1.29 0.04 -1.26 -4.75 135.00 130.52 1x45 s PRO 70 Ca 0.58 1.16 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1x45 s PRO 70 Cb -0.43 -1.89 0.45 0.00 0.04 0.00 0.00 34.50 32.67 1x45 s PRO 70 CO 0.55 -1.66 1.89 1.25 0.04 0.00 0.00 177.00 179.07 1x45 h LEU 71 N -1.14 1.00 -0.75 -3.56 5.85 -1.94 -0.11 115.31 114.66 1x45 h LEU 71 Ca -0.44 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 1x45 h LEU 71 Cb 1.23 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1x45 h LEU 71 CO 0.51 0.64 0.26 0.28 -0.34 0.00 0.00 178.44 179.79 1x45 h SER 72 N 1.13 1.07 0.52 1.25 0.02 -1.99 -0.84 113.55 114.71 1x45 h SER 72 Ca 0.42 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1x45 h SER 72 Cb 0.18 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.45 1x45 h SER 72 CO -0.17 0.98 -0.25 0.74 -1.14 0.00 0.00 176.83 176.99 1x45 h THR 73 N 1.10 0.07 -0.91 -2.27 2.02 -1.68 -3.09 112.91 108.15 1x45 h THR 73 Ca 0.24 -0.50 0.17 0.00 0.77 0.00 0.00 66.41 67.10 1x45 h THR 73 Cb 0.28 0.10 -0.10 0.00 -1.74 0.00 0.00 68.15 66.69 1x45 h THR 73 CO -0.01 0.01 0.49 0.00 0.37 0.00 0.00 175.52 176.38 1x45 h GLN 75 N 0.64 0.78 -0.24 0.00 4.20 -1.18 -1.45 115.11 117.85 1x45 h GLN 75 Ca 0.52 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 59.10 1x45 h GLN 75 Cb 0.79 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1x45 h GLN 75 CO -0.39 0.52 -0.16 1.03 -0.67 0.00 0.00 178.83 179.16 1x45 h SER 76 N 0.81 0.56 0.12 1.46 0.87 -0.73 -1.09 113.55 115.56 1x45 h SER 76 Ca 0.47 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1x45 h SER 76 Cb 0.63 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1x45 h SER 76 CO -0.23 0.87 0.00 0.40 -0.53 0.00 0.00 176.83 177.34 1x45 h ILE 77 N 0.25 0.00 0.00 2.23 2.04 -0.87 -0.08 117.51 121.09 1x45 h ILE 77 Ca 0.05 -0.04 -0.25 0.00 1.00 0.00 0.00 64.86 65.61 1x45 h ILE 77 Cb 0.68 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1x45 h ILE 77 CO 0.04 0.00 -2.23 -0.38 0.00 0.00 0.00 178.15 175.58 1x45 n ILE 78 N -2.42 0.98 0.08 -0.67 5.41 -0.85 -4.36 119.36 117.53 1x45 n ILE 78 Ca -0.01 -0.75 -0.11 0.00 1.00 0.00 0.00 62.75 62.88 1x45 n ILE 78 Cb 0.07 -0.34 -0.12 0.00 -0.71 0.00 0.00 39.64 38.54 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 0.13 0.00 0.38 2.10 0.00 -3.20 116.57 115.98 1x45 h LYS 79 Ca -0.37 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 1x45 h LYS 79 Cb 1.86 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.27 1x45 h LYS 79 CO 0.02 1.10 0.00 0.41 -2.00 0.00 0.00 179.45 178.98 1x45 n GLY 80 N 1.41 -0.43 0.14 0.07 0.00 -0.16 -2.04 105.19 104.18 1x45 n GLY 80 Ca -0.04 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.07 0.43 -0.35 0.99 4.77 -1.21 -3.85 117.00 116.71 1x45 n LEU 81 Ca 0.08 -0.14 -0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1x45 n LEU 81 Cb 0.05 -0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.27 1x45 n LEU 81 CO 0.07 0.07 1.25 0.50 -1.33 0.00 0.00 177.39 177.95 1x45 h LYS 82 N 0.67 1.15 -0.03 3.23 3.64 -1.57 0.65 116.57 124.30 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 0.15 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1x45 h LYS 82 CO 0.00 0.76 0.00 0.09 -2.27 0.00 0.00 179.45 178.03 1x45 n ASN 83 N -4.49 0.39 -4.19 4.20 3.02 -1.25 -0.30 115.26 112.63 1x45 n ASN 83 Ca 0.13 -1.42 -0.34 0.00 -0.03 0.00 0.00 54.58 52.91 1x45 n ASN 83 Cb 0.11 -0.02 -0.14 0.00 -0.61 0.00 0.00 39.78 39.11 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x45 s GLN 84 N -1.96 2.81 0.01 3.52 -0.21 0.22 -4.84 119.66 119.21 1x45 s GLN 84 Ca 0.32 -0.99 -0.25 0.00 0.02 0.00 0.00 55.36 54.46 1x45 s GLN 84 Cb 0.15 -2.98 -0.15 0.00 1.00 0.00 0.00 33.01 31.03 1x45 s GLN 84 CO 0.25 -0.40 1.14 0.66 -2.12 0.00 0.00 175.29 174.82 1x45 h SER 85 N 8.00 -0.55 -3.64 5.90 4.64 -1.78 -3.42 113.55 122.69 1x45 h SER 85 Ca -0.32 -0.08 -0.68 0.00 -0.47 0.00 0.00 61.79 60.24 1x45 h SER 85 Cb 1.11 0.14 -0.23 0.00 -0.31 0.00 0.00 62.40 63.11 1x45 h SER 85 CO 0.57 -0.18 -0.55 -0.60 -0.87 0.00 0.00 176.83 175.20 1x45 s ARG 86 N -4.59 3.25 -0.06 4.77 3.52 -1.26 -0.80 118.95 123.77 1x45 s ARG 86 Ca -0.14 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.73 1x45 s ARG 86 Cb 0.02 -3.60 -0.00 0.00 -1.56 0.00 0.00 34.95 29.81 1x45 s ARG 86 CO 0.47 -0.47 -0.22 0.08 -0.81 0.00 0.00 175.30 174.36 1x45 s VAL 87 N 1.60 1.81 -0.20 7.11 1.01 -1.18 -5.01 120.40 125.54 1x45 s VAL 87 Ca 0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1x45 s VAL 87 Cb -0.17 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1x45 s VAL 87 CO 0.06 0.51 0.20 -0.75 0.00 0.00 0.00 175.10 175.12 1x45 s LYS 88 N 0.07 4.17 0.00 2.72 2.20 -1.26 -1.87 119.74 125.77 1x45 s LYS 88 Ca -0.08 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1x45 s LYS 88 Cb -0.14 -3.46 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1x45 s LYS 88 CO 0.04 0.19 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.70 1x45 s LEU 89 N 0.66 2.04 -0.27 5.43 1.43 0.67 0.83 118.68 129.46 1x45 s LEU 89 Ca 0.11 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.95 1x45 s LEU 89 Cb -0.12 -0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.04 1x45 s LEU 89 CO 0.02 -0.03 0.48 0.21 0.23 0.00 0.00 176.35 177.26 1x45 s ASN 90 N -0.24 6.38 0.07 2.29 3.04 -1.00 0.98 114.94 126.45 1x45 s ASN 90 Ca -0.02 0.40 0.03 0.00 0.04 0.00 0.00 52.86 53.31 1x45 s ASN 90 Cb -0.02 -2.26 -0.04 0.00 -1.54 0.00 0.00 41.25 37.39 1x45 s ASN 90 CO -0.00 -0.29 0.02 -0.63 -3.04 0.00 0.00 177.10 173.17 1x45 s ILE 91 N 2.26 4.21 -0.23 -5.21 -1.09 0.13 0.51 121.20 121.78 1x45 s ILE 91 Ca 0.19 -0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 57.75 1x45 s ILE 91 Cb -0.16 -2.98 0.11 0.00 -1.58 0.00 0.00 42.46 37.85 1x45 s ILE 91 CO 0.10 0.18 0.24 -0.69 -1.23 0.00 0.00 174.94 173.54 1x45 s VAL 92 N -1.28 -0.34 -0.47 2.92 1.01 0.14 0.34 120.40 122.72 1x45 s VAL 92 Ca 0.25 -0.25 -0.42 0.00 0.00 0.00 0.00 61.98 61.57 1x45 s VAL 92 Cb -0.12 -0.78 -0.18 0.00 0.00 0.00 0.00 36.38 35.30 1x45 s VAL 92 CO 0.18 -0.30 2.03 -0.24 0.00 0.00 0.00 175.10 176.76 1x45 n SER 93 N 5.31 0.71 -3.46 3.32 2.88 -1.26 -2.34 113.62 118.78 1x45 n SER 93 Ca -0.05 0.64 -0.35 0.00 -1.33 0.00 0.00 58.87 57.79 1x45 n SER 93 Cb 0.48 -0.85 -0.01 0.00 -0.75 0.00 0.00 64.21 63.08 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 7.09 -1.95 3.71 0.46 0.00 -1.24 -4.81 105.19 108.47 1x45 n GLY 94 Ca 0.52 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.80 4.32 0.03 1.61 0.04 -1.26 -4.89 135.00 134.05 1x45 s PRO 95 Ca 0.48 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1x45 s PRO 95 Cb -0.58 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1x45 s PRO 95 CO 0.48 -0.45 0.00 -1.13 0.04 0.00 0.00 177.00 175.94 1x45 n SER 96 N 4.28 0.11 -4.41 6.66 3.41 -1.26 -4.79 113.62 117.62 1x45 n SER 96 Ca 0.12 0.05 -0.44 0.00 -0.26 0.00 0.00 58.87 58.33 1x45 n SER 96 Cb 0.43 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1x45 n SER 96 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x45 s SER 97 N -5.11 6.20 0.00 4.04 1.04 -1.26 -5.16 113.70 113.45 1x45 s SER 97 Ca 0.00 -1.18 0.06 0.00 0.48 0.00 0.00 55.95 55.31 1x45 s SER 97 Cb 0.00 -2.29 0.37 0.00 0.10 0.00 0.00 66.02 64.20 1x45 s SER 97 CO 0.00 -0.98 0.84 0.61 0.98 0.00 0.00 173.24 174.69