#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 4.75 0.74 1.61 0.01 -1.26 -5.09 113.70 114.46 1x45 s SER 2 Ca 0.00 -2.95 -0.11 0.00 1.31 0.00 0.00 55.95 54.20 1x45 s SER 2 Cb 0.00 -1.74 0.03 0.00 0.21 0.00 0.00 66.02 64.52 1x45 s SER 2 CO 0.00 -0.29 1.08 -0.55 0.41 0.00 0.00 173.24 173.89 1x45 s SER 3 N 0.15 5.04 -0.07 2.44 0.15 -1.26 -4.65 113.70 115.50 1x45 s SER 3 Ca 0.17 1.36 -0.00 0.00 0.70 0.00 0.00 55.95 58.18 1x45 s SER 3 Cb -0.23 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1x45 s SER 3 CO -0.02 -1.63 0.07 0.61 1.20 0.00 0.00 173.24 173.48 1x45 n GLY 4 N -2.30 -0.45 0.20 9.45 0.00 -1.26 -4.98 105.19 105.86 1x45 n GLY 4 Ca 0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1x45 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x45 h SER 5 N 0.07 0.60 -0.50 1.61 4.64 -1.92 -3.38 113.55 114.66 1x45 h SER 5 Ca 0.00 -0.18 -0.13 0.00 -0.47 0.00 0.00 61.79 61.01 1x45 h SER 5 Cb 0.88 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1x45 h SER 5 CO 0.03 0.62 0.32 -0.44 -0.87 0.00 0.00 176.83 176.49 1x45 s SER 6 N -5.91 4.41 0.00 4.97 0.01 -1.26 -4.72 113.70 111.20 1x45 s SER 6 Ca -0.13 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1x45 s SER 6 Cb 0.10 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1x45 s SER 6 CO 0.76 -3.41 0.00 0.61 0.41 0.00 0.00 173.24 171.61 1x45 n GLY 7 N 6.82 -1.17 3.66 3.44 0.00 0.12 -4.88 105.19 113.18 1x45 n GLY 7 Ca 0.44 -0.92 -0.48 0.00 0.00 0.00 0.00 46.02 45.06 1x45 n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x45 n ASP 8 N 0.86 2.85 -4.33 1.61 5.68 -1.26 -1.85 116.55 120.10 1x45 n ASP 8 Ca 0.00 1.07 -0.26 0.00 -0.50 0.00 0.00 54.79 55.10 1x45 n ASP 8 Cb 0.00 -1.35 -0.13 0.00 -1.14 0.00 0.00 41.12 38.50 1x45 n ASP 8 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1x45 s VAL 9 N 1.65 1.94 -0.20 2.12 1.01 0.25 -4.91 120.40 122.26 1x45 s VAL 9 Ca 0.84 -1.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1x45 s VAL 9 Cb -0.76 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 33.92 1x45 s VAL 9 CO 0.44 -0.03 0.03 -0.36 0.00 0.00 0.00 175.10 175.17 1x45 s PHE 10 N -1.23 1.21 -0.51 5.22 0.40 -1.26 -0.33 117.98 121.48 1x45 s PHE 10 Ca 0.11 -0.99 -0.20 0.00 -0.60 0.00 0.00 56.93 55.24 1x45 s PHE 10 Cb -0.10 -1.11 0.05 0.00 0.51 0.00 0.00 43.02 42.37 1x45 s PHE 10 CO 0.05 -0.64 0.69 0.42 0.70 0.00 0.00 175.22 176.45 1x45 s ILE 11 N 1.80 4.77 -0.46 0.64 -1.09 -0.71 -4.94 121.20 121.20 1x45 s ILE 11 Ca -0.01 -0.26 -0.23 0.00 -2.23 0.00 0.00 60.65 57.91 1x45 s ILE 11 Cb -0.17 -4.34 0.03 0.00 -1.58 0.00 0.00 42.46 36.40 1x45 s ILE 11 CO -0.08 -0.84 0.82 -1.61 -1.23 0.00 0.00 174.94 171.99 1x45 s GLU 12 N 2.92 3.41 0.22 2.79 2.02 -1.26 -2.79 118.70 126.01 1x45 s GLU 12 Ca 0.19 -0.09 0.03 0.00 0.02 0.00 0.00 54.97 55.12 1x45 s GLU 12 Cb -0.17 -3.95 -0.01 0.00 0.10 0.00 0.00 34.13 30.09 1x45 s GLU 12 CO 0.14 -1.17 0.13 0.36 0.02 0.00 0.00 175.26 174.74 1x45 n LYS 13 N 6.85 0.48 -3.98 1.61 2.85 0.38 -4.95 118.16 121.40 1x45 n LYS 13 Ca 0.03 -1.99 -0.26 0.00 -1.05 0.00 0.00 58.31 55.03 1x45 n LYS 13 Cb 0.48 1.35 -0.04 0.00 -0.65 0.00 0.00 35.03 36.17 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 -2.86 3.30 0.28 -1.58 -1.52 -1.26 -4.31 119.66 111.72 1x45 s GLN 14 Ca 0.18 -0.67 -0.29 0.00 -1.95 0.00 0.00 55.36 52.63 1x45 s GLN 14 Cb 0.01 -2.88 -0.09 0.00 -0.22 0.00 0.00 33.01 29.82 1x45 s GLN 14 CO 0.13 0.51 1.04 0.15 -0.25 0.00 0.00 175.29 176.86 1x45 s LYS 15 N -3.21 4.68 0.00 2.91 1.02 -1.26 -3.55 119.74 120.32 1x45 s LYS 15 Ca 0.34 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.98 1x45 s LYS 15 Cb -0.11 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1x45 s LYS 15 CO 0.27 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 1x45 n GLY 16 N 1.20 2.62 3.97 -3.33 0.00 -0.54 -4.99 105.19 104.12 1x45 n GLY 16 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.23 3.29 0.78 1.61 -1.05 -1.23 -4.93 118.70 116.93 1x45 s GLU 17 Ca 0.00 -0.87 -0.07 0.00 -0.15 0.00 0.00 54.97 53.87 1x45 s GLU 17 Cb 0.00 -2.85 0.12 0.00 -0.44 0.00 0.00 34.13 30.96 1x45 s GLU 17 CO 0.00 0.29 1.09 0.96 0.95 0.00 0.00 175.26 178.55 1x45 s ILE 18 N -2.06 2.16 -2.00 1.83 -4.36 -1.26 -4.19 121.20 111.31 1x45 s ILE 18 Ca 0.38 -0.30 0.13 0.00 -0.26 0.00 0.00 60.65 60.61 1x45 s ILE 18 Cb -0.09 -2.86 0.38 0.00 1.25 0.00 0.00 42.46 41.14 1x45 s ILE 18 CO 0.30 0.00 1.36 -0.11 0.24 0.00 0.00 174.94 176.73 1x45 n LEU 19 N -3.12 0.00 -4.31 0.37 7.94 -1.26 -4.66 117.00 111.96 1x45 n LEU 19 Ca 0.12 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.67 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 -0.29 0.61 -1.11 0.00 0.00 177.39 177.07 1x45 n GLY 20 N 0.44 -0.26 3.05 -3.96 0.00 -1.26 -3.31 105.19 99.89 1x45 n GLY 20 Ca 0.10 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.67 -0.01 -0.12 1.61 0.11 -1.26 -0.57 120.40 116.49 1x45 s VAL 21 Ca 0.43 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.48 1x45 s VAL 21 Cb -0.25 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1x45 s VAL 21 CO 0.96 0.01 0.01 -0.69 -3.33 0.00 0.00 175.10 172.06 1x45 s VAL 22 N 0.31 4.35 0.27 2.04 1.01 0.37 -4.98 120.40 123.77 1x45 s VAL 22 Ca -0.02 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 61.86 1x45 s VAL 22 Cb -0.03 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1x45 s VAL 22 CO -0.01 0.56 -0.15 0.27 0.00 0.00 0.00 175.10 175.77 1x45 s ILE 23 N -0.43 2.75 0.32 2.22 -4.36 -1.26 -0.03 121.20 120.41 1x45 s ILE 23 Ca 0.08 -2.26 -0.01 0.00 -0.26 0.00 0.00 60.65 58.20 1x45 s ILE 23 Cb -0.12 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.13 1x45 s ILE 23 CO 0.02 -0.38 0.40 0.68 0.24 0.00 0.00 174.94 175.90 1x45 s VAL 24 N -2.43 0.00 0.26 8.37 -7.23 0.66 -4.72 120.40 115.31 1x45 s VAL 24 Ca 0.30 -1.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 1x45 s VAL 24 Cb -0.05 -2.56 -0.11 0.00 0.56 0.00 0.00 36.38 34.22 1x45 s VAL 24 CO 0.16 0.00 1.52 -1.61 -0.31 0.00 0.00 175.10 174.86 1x45 s GLU 25 N -3.33 4.20 0.00 4.82 0.41 -1.26 -1.43 118.70 122.11 1x45 s GLU 25 Ca 0.33 2.43 -0.04 0.00 -0.41 0.00 0.00 54.97 57.28 1x45 s GLU 25 Cb 0.01 -3.07 -0.18 0.00 -1.78 0.00 0.00 34.13 29.11 1x45 s GLU 25 CO 0.20 -0.53 2.74 0.43 -0.49 0.00 0.00 175.26 177.61 1x45 n SER 26 N 2.36 4.22 -2.57 -0.19 7.64 -1.26 -4.64 113.62 119.18 1x45 n SER 26 Ca 0.08 -2.26 -0.07 0.00 1.01 0.00 0.00 58.87 57.63 1x45 n SER 26 Cb 0.39 -1.09 0.01 0.00 -1.01 0.00 0.00 64.21 62.50 1x45 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 27 N 2.41 0.03 3.22 0.23 0.00 -1.26 -4.24 105.19 105.58 1x45 n GLY 27 Ca 0.28 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 0.80 0.25 0.00 1.61 7.02 -1.26 -3.26 117.44 122.60 1x45 n TRP 28 Ca -0.02 0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.64 1x45 n TRP 28 Cb 0.40 -1.31 0.00 0.00 -2.42 0.00 0.00 31.31 27.98 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 5.52 0.16 2.34 6.99 0.00 -1.26 -5.15 105.19 113.79 1x45 n GLY 29 Ca 0.62 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.42 1x45 n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x45 n SER 30 N 0.00 -2.62 0.44 1.61 2.88 -1.20 -4.97 113.62 109.76 1x45 n SER 30 Ca 0.00 -0.80 -0.17 0.00 -1.33 0.00 0.00 58.87 56.57 1x45 n SER 30 Cb 0.00 -0.70 -0.08 0.00 -0.75 0.00 0.00 64.21 62.68 1x45 n SER 30 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1x45 h ILE 31 N -2.74 0.00 -3.53 2.46 5.03 -1.96 -3.39 117.51 113.38 1x45 h ILE 31 Ca -0.28 -0.11 -0.66 0.00 -0.12 0.00 0.00 64.86 63.69 1x45 h ILE 31 Cb 0.90 0.00 -0.40 0.00 -3.03 0.00 0.00 36.82 34.29 1x45 h ILE 31 CO 0.18 0.00 -0.64 -0.76 -0.68 0.00 0.00 178.15 176.25 1x45 s LEU 32 N -9.40 4.64 -1.04 1.44 2.01 -1.26 -5.04 118.68 110.03 1x45 s LEU 32 Ca -0.16 -2.58 -0.24 0.00 0.01 0.00 0.00 54.13 51.16 1x45 s LEU 32 Cb 0.02 -1.67 -0.07 0.00 0.01 0.00 0.00 46.19 44.48 1x45 s LEU 32 CO 0.49 -0.33 1.94 -2.16 1.01 0.00 0.00 176.35 177.31 1x45 s PRO 33 N 0.32 2.52 0.00 1.29 0.04 -1.26 -4.69 135.00 133.23 1x45 s PRO 33 Ca 0.14 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1x45 s PRO 33 Cb -0.22 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1x45 s PRO 33 CO -0.04 -3.68 0.00 0.25 0.04 0.00 0.00 177.00 173.57 1x45 n THR 34 N 7.84 0.00 -3.63 1.26 -2.24 -1.26 -4.03 114.28 112.22 1x45 n THR 34 Ca 0.42 0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 62.33 1x45 n THR 34 Cb 0.47 -1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 67.52 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 0.08 2.28 -7.23 -1.26 -4.39 120.40 109.46 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 -0.50 1.09 0.03 -0.62 -4.36 -0.51 -0.59 121.20 115.74 1x45 s ILE 36 Ca 0.06 -1.42 -0.30 0.00 -0.26 0.00 0.00 60.65 58.72 1x45 s ILE 36 Cb -0.03 -1.17 -0.07 0.00 1.25 0.00 0.00 42.46 42.44 1x45 s ILE 36 CO -0.09 -0.32 1.63 -0.63 0.24 0.00 0.00 174.94 175.76 1x45 s ILE 37 N -1.63 3.24 -0.15 8.37 1.09 -0.69 -0.25 121.20 131.18 1x45 s ILE 37 Ca 0.01 0.60 0.13 0.00 -1.10 0.00 0.00 60.65 60.29 1x45 s ILE 37 Cb -0.08 -3.39 -0.24 0.00 -1.06 0.00 0.00 42.46 37.70 1x45 s ILE 37 CO 0.02 -0.01 0.25 0.00 -0.10 0.00 0.00 174.94 175.09 1x45 n ALA 38 N 5.93 1.45 -3.54 9.38 0.00 0.96 -2.51 120.51 132.19 1x45 n ALA 38 Ca 0.16 -1.09 -0.14 0.00 0.00 0.00 0.00 53.44 52.37 1x45 n ALA 38 Cb 0.41 -0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -5.88 -0.51 -0.07 0.00 2.47 -1.15 -4.97 114.94 104.83 1x45 s ASN 39 Ca -0.12 0.50 0.03 0.00 0.42 0.00 0.00 52.86 53.69 1x45 s ASN 39 Cb 0.07 0.43 -0.02 0.00 -1.45 0.00 0.00 41.25 40.28 1x45 s ASN 39 CO 0.80 -0.51 -0.14 -0.04 -3.72 0.00 0.00 177.10 173.49 1x45 s MET 40 N -1.39 2.78 0.19 0.43 -1.94 -1.26 -0.48 119.30 117.62 1x45 s MET 40 Ca -0.05 -0.70 -0.31 0.00 -1.71 0.00 0.00 55.69 52.92 1x45 s MET 40 Cb -0.00 -2.45 -0.10 0.00 2.01 0.00 0.00 34.83 34.28 1x45 s MET 40 CO 0.04 0.49 1.55 1.41 -0.01 0.00 0.00 175.02 178.50 1x45 s MET 41 N -0.39 4.22 -1.11 2.03 1.75 0.26 -4.86 119.30 121.20 1x45 s MET 41 Ca 0.04 2.37 -0.23 0.00 -1.25 0.00 0.00 55.69 56.62 1x45 s MET 41 Cb -0.12 -3.13 -0.12 0.00 2.84 0.00 0.00 34.83 34.30 1x45 s MET 41 CO 0.02 -0.57 1.94 1.58 -0.65 0.00 0.00 175.02 177.34 1x45 n HIS 42 N 3.49 2.41 0.00 4.11 -0.00 -1.26 -1.73 115.22 122.24 1x45 n HIS 42 Ca 0.12 -1.36 0.00 0.00 -0.00 0.00 0.00 57.72 56.48 1x45 n HIS 42 Cb 0.39 -2.49 0.00 0.00 -0.00 0.00 0.00 29.99 27.89 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1x45 n GLY 43 N 5.66 1.30 3.99 1.57 0.00 -1.26 -5.14 105.19 111.30 1x45 n GLY 43 Ca 0.45 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 1x45 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x45 s GLY 44 N -1.68 1.76 0.19 -0.02 0.00 -0.70 -4.94 107.32 101.94 1x45 s GLY 44 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 44.72 42.94 1x45 s GLY 44 CO 0.00 -1.06 1.54 -0.56 0.00 0.00 0.00 173.10 173.03 1x45 h PRO 45 N -0.88 0.69 -0.15 2.90 0.13 -1.83 -2.23 132.00 130.63 1x45 h PRO 45 Ca -0.37 -0.36 -0.16 0.00 -0.87 0.00 0.00 66.00 64.24 1x45 h PRO 45 Cb 1.25 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1x45 h PRO 45 CO 0.36 0.98 -0.57 0.00 -0.23 0.00 0.00 178.00 178.54 1x45 h ALA 46 N 0.97 0.75 -0.05 -0.56 0.00 -1.78 0.34 119.26 118.93 1x45 h ALA 46 Ca 0.04 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1x45 h ALA 46 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1x45 h ALA 46 CO 0.09 0.70 -0.63 1.49 0.00 0.00 0.00 179.25 180.89 1x45 h GLU 47 N 0.35 0.20 0.00 0.00 4.57 -1.77 -3.09 114.58 114.83 1x45 h GLU 47 Ca 0.00 -0.14 -0.18 0.00 -1.18 0.00 0.00 59.36 57.86 1x45 h GLU 47 Cb 1.10 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 1x45 h GLU 47 CO 0.10 0.76 -1.34 0.87 -1.18 0.00 0.00 179.01 178.23 1x45 h LYS 48 N 0.14 0.00 -0.21 1.92 1.57 -1.31 -3.36 116.57 115.32 1x45 h LYS 48 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x45 h LYS 48 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1x45 h LYS 48 CO 0.10 0.38 0.13 0.66 -0.57 0.00 0.00 179.45 180.14 1x45 h SER 49 N 0.00 0.25 0.00 0.86 4.64 -0.27 -3.46 113.55 115.57 1x45 h SER 49 Ca -0.16 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1x45 h SER 49 Cb 1.64 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1x45 h SER 49 CO 0.06 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 1x45 n GLY 50 N -1.02 0.31 0.19 -0.77 0.00 -1.17 -4.85 105.19 97.87 1x45 n GLY 50 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 0.68 0.00 -5.23 1.61 1.79 -1.90 -3.46 116.57 110.07 1x45 h LYS 51 Ca 0.00 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 1x45 h LYS 51 Cb 0.39 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.91 1x45 h LYS 51 CO 0.00 0.31 -0.52 -0.48 -1.08 0.00 0.00 179.45 177.67 1x45 s LEU 52 N -6.56 2.33 -0.08 2.94 -0.00 -1.26 -4.92 118.68 111.12 1x45 s LEU 52 Ca 0.03 -1.64 -0.19 0.00 -0.00 0.00 0.00 54.13 52.34 1x45 s LEU 52 Cb 0.08 -0.74 0.04 0.00 -0.00 0.00 0.00 46.19 45.58 1x45 s LEU 52 CO 0.68 -0.83 0.44 0.20 -0.00 0.00 0.00 176.35 176.85 1x45 s ASN 53 N -3.86 -0.39 -0.51 1.48 0.01 -1.26 -5.07 114.94 105.34 1x45 s ASN 53 Ca 0.08 0.52 -0.34 0.00 -0.71 0.00 0.00 52.86 52.41 1x45 s ASN 53 Cb 0.02 0.59 -0.14 0.00 0.41 0.00 0.00 41.25 42.13 1x45 s ASN 53 CO 0.04 -0.38 2.31 -0.38 -1.51 0.00 0.00 177.10 177.18 1x45 n ILE 54 N 1.76 0.09 0.00 0.60 2.08 -1.26 -0.36 119.36 122.26 1x45 n ILE 54 Ca -0.18 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 62.87 1x45 n ILE 54 Cb 0.56 -1.45 0.00 0.00 -0.75 0.00 0.00 39.64 38.00 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 6.59 0.98 3.75 7.39 0.00 -1.04 -5.01 105.19 117.85 1x45 n GLY 55 Ca 0.47 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.93 5.39 0.12 1.61 1.11 0.51 -3.82 116.67 120.66 1x45 s ASP 56 Ca 0.00 2.51 0.07 0.00 0.18 0.00 0.00 52.55 55.31 1x45 s ASP 56 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1x45 s ASP 56 CO 0.00 -1.46 -0.07 0.00 1.18 0.00 0.00 175.17 174.82 1x45 s GLN 57 N -3.05 2.22 -0.30 8.23 -2.07 -1.02 -1.71 119.66 121.97 1x45 s GLN 57 Ca 0.73 -1.03 -0.13 0.00 -1.82 0.00 0.00 55.36 53.11 1x45 s GLN 57 Cb -0.34 -2.33 -0.04 0.00 -1.09 0.00 0.00 33.01 29.21 1x45 s GLN 57 CO 0.39 0.50 0.25 0.42 -1.32 0.00 0.00 175.29 175.53 1x45 s ILE 58 N -1.35 5.26 0.11 3.63 1.01 0.24 0.15 121.20 130.25 1x45 s ILE 58 Ca 0.23 0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.89 1x45 s ILE 58 Cb -0.11 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 1x45 s ILE 58 CO 0.15 0.14 1.40 0.24 0.00 0.00 0.00 174.94 176.87 1x45 h MET 59 N 8.37 0.77 -3.24 2.79 2.86 -0.20 -3.39 114.93 122.90 1x45 h MET 59 Ca -0.33 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 56.83 1x45 h MET 59 Cb 1.17 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.83 1x45 h MET 59 CO 0.60 1.09 0.13 -1.54 1.06 0.00 0.00 176.91 178.25 1x45 s SER 60 N -6.74 -0.02 -0.29 1.22 1.04 -1.24 -3.14 113.70 104.53 1x45 s SER 60 Ca -0.12 -0.94 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 1x45 s SER 60 Cb 0.09 0.74 0.09 0.00 0.10 0.00 0.00 66.02 67.04 1x45 s SER 60 CO 0.86 -1.42 0.08 -0.63 0.98 0.00 0.00 173.24 173.11 1x45 s ILE 61 N -3.33 0.85 -1.97 -1.02 1.01 -0.43 -2.31 121.20 114.01 1x45 s ILE 61 Ca 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1x45 s ILE 61 Cb -0.04 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1x45 s ILE 61 CO 0.10 -0.58 0.00 0.59 0.00 0.00 0.00 174.94 175.05 1x45 n ASN 62 N 4.87 -5.78 0.00 3.58 3.02 0.25 -1.50 115.26 119.71 1x45 n ASN 62 Ca -0.04 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1x45 n ASN 62 Cb 0.43 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.68 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 1.03 3.16 7.41 0.00 -1.26 -5.04 105.19 109.72 1x45 n GLY 63 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 3.73 0.19 2.61 2.01 -0.56 -5.07 115.64 116.55 1x45 s THR 64 Ca 0.00 -1.93 -0.32 0.00 0.31 0.00 0.00 61.69 59.76 1x45 s THR 64 Cb 0.00 -3.51 -0.12 0.00 0.01 0.00 0.00 72.50 68.89 1x45 s THR 64 CO 0.00 -0.73 1.74 -0.44 -0.69 0.00 0.00 174.62 174.50 1x45 s SER 65 N 2.23 6.39 0.00 3.53 0.01 -1.26 -1.31 113.70 123.29 1x45 s SER 65 Ca 0.07 2.85 0.22 0.00 1.31 0.00 0.00 55.95 60.40 1x45 s SER 65 Cb -0.24 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.30 1x45 s SER 65 CO -0.03 -0.98 1.00 0.18 0.41 0.00 0.00 173.24 173.83 1x45 n LEU 66 N 4.30 1.09 -4.70 2.44 4.77 -1.19 -4.88 117.00 118.84 1x45 n LEU 66 Ca 0.16 -0.47 -0.58 0.00 -0.03 0.00 0.00 56.01 55.09 1x45 n LEU 66 Cb 0.36 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1x45 n LEU 66 CO 0.64 0.25 1.34 0.52 -1.33 0.00 0.00 177.39 178.82 1x45 n VAL 67 N -1.26 0.28 0.00 4.08 0.31 -1.26 -0.08 118.33 120.39 1x45 n VAL 67 Ca 0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1x45 n VAL 67 Cb 0.35 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 4.33 2.61 3.63 2.92 0.00 -1.26 -5.02 105.19 112.40 1x45 n GLY 68 Ca 0.28 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 2.67 -4.77 0.99 4.77 0.88 -4.95 117.00 116.60 1x45 n LEU 69 Ca 0.00 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.78 1x45 n LEU 69 Cb 0.00 -1.37 0.09 0.00 -2.33 0.00 0.00 43.42 39.81 1x45 n LEU 69 CO 0.00 -1.22 0.70 -2.16 -1.33 0.00 0.00 177.39 173.39 1x45 s PRO 70 N -1.88 2.30 0.43 3.23 0.04 -1.26 -4.79 135.00 133.06 1x45 s PRO 70 Ca 0.60 1.19 0.11 0.00 0.04 0.00 0.00 61.00 62.94 1x45 s PRO 70 Cb -0.59 -1.90 0.96 0.00 0.04 0.00 0.00 34.50 33.01 1x45 s PRO 70 CO 0.59 -1.61 2.03 1.25 0.04 0.00 0.00 177.00 179.30 1x45 h LEU 71 N -1.02 0.39 -0.16 -3.56 5.85 -1.92 -1.54 115.31 113.35 1x45 h LEU 71 Ca -0.44 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 1x45 h LEU 71 Cb 1.23 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1x45 h LEU 71 CO 0.52 0.26 -0.12 0.77 -0.34 0.00 0.00 178.44 179.53 1x45 h SER 72 N 0.45 0.38 0.85 1.25 4.64 -1.99 -2.87 113.55 116.26 1x45 h SER 72 Ca 0.20 -0.45 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1x45 h SER 72 Cb 0.22 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1x45 h SER 72 CO -0.05 0.75 -0.41 0.74 -0.87 0.00 0.00 176.83 176.99 1x45 h THR 73 N 0.02 0.00 -0.89 2.95 2.02 -1.77 -2.88 112.91 112.35 1x45 h THR 73 Ca 0.03 -0.03 0.22 0.00 0.77 0.00 0.00 66.41 67.40 1x45 h THR 73 Cb 0.63 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.88 1x45 h THR 73 CO 0.03 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.92 1x45 h GLN 75 N 0.06 0.79 -0.45 0.00 4.20 -1.38 -0.88 115.11 117.45 1x45 h GLN 75 Ca 0.51 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 59.13 1x45 h GLN 75 Cb 0.97 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1x45 h GLN 75 CO -0.82 0.52 0.11 1.03 -0.67 0.00 0.00 178.83 179.01 1x45 h SER 76 N 0.82 0.69 0.54 1.46 0.87 0.79 0.18 113.55 118.90 1x45 h SER 76 Ca 0.50 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1x45 h SER 76 Cb 0.70 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1x45 h SER 76 CO -0.27 0.75 0.00 0.40 -0.53 0.00 0.00 176.83 177.18 1x45 h ILE 77 N 0.60 0.00 0.00 2.23 2.04 -0.72 -1.27 117.51 120.40 1x45 h ILE 77 Ca 0.14 -0.22 -0.27 0.00 1.00 0.00 0.00 64.86 65.51 1x45 h ILE 77 Cb 0.33 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1x45 h ILE 77 CO 0.00 0.00 -2.12 -0.38 0.00 0.00 0.00 178.15 175.65 1x45 n ILE 78 N -2.62 1.14 0.14 -0.67 5.41 -0.75 -4.26 119.36 117.75 1x45 n ILE 78 Ca 0.00 -0.77 0.02 0.00 1.00 0.00 0.00 62.75 63.01 1x45 n ILE 78 Cb 0.18 -0.47 0.03 0.00 -0.71 0.00 0.00 39.64 38.67 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 -0.08 0.38 2.10 -0.17 -3.18 116.57 115.62 1x45 h LYS 79 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1x45 h LYS 79 Cb 1.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.25 1x45 h LYS 79 CO 0.03 0.51 0.00 0.41 -2.00 0.00 0.00 179.45 178.41 1x45 n GLY 80 N 1.20 -0.79 0.90 0.07 0.00 -0.52 -3.12 105.19 102.92 1x45 n GLY 80 Ca 0.02 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.45 2.72 -0.35 0.99 4.77 -1.20 -4.32 117.00 119.16 1x45 n LEU 81 Ca 0.00 -1.06 0.02 0.00 -0.03 0.00 0.00 56.01 54.93 1x45 n LEU 81 Cb 0.02 -0.12 0.16 0.00 -2.33 0.00 0.00 43.42 41.15 1x45 n LEU 81 CO 0.00 0.53 1.24 0.50 -1.33 0.00 0.00 177.39 178.33 1x45 h LYS 82 N 3.83 1.08 -0.67 3.23 3.64 -1.71 0.73 116.57 126.69 1x45 h LYS 82 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1x45 h LYS 82 Cb 0.83 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1x45 h LYS 82 CO 0.00 0.71 0.00 -1.71 -2.27 0.00 0.00 179.45 176.18 1x45 n ASN 83 N -4.54 2.10 -3.88 4.20 5.15 -1.26 -1.47 115.26 115.56 1x45 n ASN 83 Ca 0.14 -2.20 -0.30 0.00 -0.60 0.00 0.00 54.58 51.62 1x45 n ASN 83 Cb 0.18 -0.43 -0.15 0.00 -0.53 0.00 0.00 39.78 38.84 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1x45 s GLN 84 N -1.60 1.11 0.09 1.20 -0.21 0.25 -4.88 119.66 115.63 1x45 s GLN 84 Ca 0.17 -1.50 -0.35 0.00 0.02 0.00 0.00 55.36 53.69 1x45 s GLN 84 Cb 0.12 -2.61 -0.16 0.00 1.00 0.00 0.00 33.01 31.35 1x45 s GLN 84 CO 0.07 -0.97 1.57 0.77 -2.12 0.00 0.00 175.29 174.61 1x45 h SER 85 N 7.81 -1.35 -3.68 5.90 0.02 -1.79 -3.39 113.55 117.08 1x45 h SER 85 Ca -0.09 0.11 -0.68 0.00 -0.84 0.00 0.00 61.79 60.29 1x45 h SER 85 Cb 1.01 0.45 -0.20 0.00 0.14 0.00 0.00 62.40 63.81 1x45 h SER 85 CO 0.50 -0.64 -0.48 -0.60 -1.14 0.00 0.00 176.83 174.46 1x45 s ARG 86 N -5.89 3.39 -0.10 3.45 3.52 -1.26 -0.47 118.95 121.60 1x45 s ARG 86 Ca -0.18 -0.71 0.03 0.00 -0.13 0.00 0.00 55.73 54.74 1x45 s ARG 86 Cb 0.05 -3.81 0.01 0.00 -1.56 0.00 0.00 34.95 29.64 1x45 s ARG 86 CO 0.61 -0.49 -0.19 0.08 -0.81 0.00 0.00 175.30 174.50 1x45 s VAL 87 N 1.70 1.70 -0.18 7.11 1.01 -1.12 -4.99 120.40 125.64 1x45 s VAL 87 Ca 0.06 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1x45 s VAL 87 Cb -0.18 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1x45 s VAL 87 CO 0.10 0.48 0.45 -0.75 0.00 0.00 0.00 175.10 175.38 1x45 s LYS 88 N 0.60 4.23 0.00 2.72 2.20 -1.26 -1.75 119.74 126.48 1x45 s LYS 88 Ca -0.14 0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 1x45 s LYS 88 Cb -0.17 -3.51 -0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1x45 s LYS 88 CO 0.05 -0.01 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.50 1x45 s LEU 89 N 1.19 2.04 -0.27 5.43 1.43 0.55 0.88 118.68 129.93 1x45 s LEU 89 Ca 0.22 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 1x45 s LEU 89 Cb -0.15 -0.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1x45 s LEU 89 CO 0.09 -0.03 0.43 0.21 0.23 0.00 0.00 176.35 177.29 1x45 s ASN 90 N -0.28 6.33 0.04 2.29 3.04 -0.98 0.87 114.94 126.24 1x45 s ASN 90 Ca -0.02 0.37 0.03 0.00 0.04 0.00 0.00 52.86 53.28 1x45 s ASN 90 Cb -0.02 -2.24 -0.04 0.00 -1.54 0.00 0.00 41.25 37.41 1x45 s ASN 90 CO -0.00 -0.23 0.01 -0.63 -3.04 0.00 0.00 177.10 173.20 1x45 s ILE 91 N 2.18 4.13 -0.20 -5.21 -1.09 -0.77 0.58 121.20 120.80 1x45 s ILE 91 Ca 0.18 -0.75 -0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1x45 s ILE 91 Cb -0.16 -2.90 0.09 0.00 -1.58 0.00 0.00 42.46 37.92 1x45 s ILE 91 CO 0.10 0.27 0.23 -0.69 -1.23 0.00 0.00 174.94 173.62 1x45 s VAL 92 N -1.19 -0.34 -0.40 2.92 1.01 0.12 0.11 120.40 122.64 1x45 s VAL 92 Ca 0.22 -0.11 -0.44 0.00 0.00 0.00 0.00 61.98 61.66 1x45 s VAL 92 Cb -0.12 -0.68 -0.19 0.00 0.00 0.00 0.00 36.38 35.39 1x45 s VAL 92 CO 0.14 -0.20 1.45 -0.24 0.00 0.00 0.00 175.10 176.26 1x45 n SER 93 N 5.32 0.96 -3.18 3.32 2.88 -1.26 -2.42 113.62 119.24 1x45 n SER 93 Ca -0.05 1.14 -0.07 0.00 -1.33 0.00 0.00 58.87 58.56 1x45 n SER 93 Cb 0.50 -0.86 0.07 0.00 -0.75 0.00 0.00 64.21 63.17 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 3.44 -2.22 3.57 0.46 0.00 -1.25 -4.68 105.19 104.51 1x45 n GLY 94 Ca 0.28 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.58 2.51 0.29 1.61 0.04 -1.26 -4.95 135.00 130.66 1x45 s PRO 95 Ca 0.16 -0.85 -0.29 0.00 0.04 0.00 0.00 61.00 60.07 1x45 s PRO 95 Cb -0.03 -5.18 -0.09 0.00 0.04 0.00 0.00 34.50 29.24 1x45 s PRO 95 CO 0.13 -3.77 1.07 -1.12 0.04 0.00 0.00 177.00 173.36 1x45 s SER 96 N 7.06 7.26 0.61 6.66 0.01 -1.26 -5.04 113.70 129.00 1x45 s SER 96 Ca 0.69 2.20 -0.09 0.00 1.31 0.00 0.00 55.95 60.06 1x45 s SER 96 Cb -0.03 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 1x45 s SER 96 CO 0.08 -0.14 0.98 -0.44 0.41 0.00 0.00 173.24 174.13 1x45 s SER 97 N -1.00 5.98 0.00 2.44 0.01 -1.26 -5.27 113.70 114.61 1x45 s SER 97 Ca 0.46 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1x45 s SER 97 Cb -0.30 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1x45 s SER 97 CO 0.38 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.70