#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 2.71 -4.75 1.61 7.64 -1.26 -5.08 113.62 114.48 1x45 n SER 2 Ca 0.00 -2.81 -0.28 0.00 1.01 0.00 0.00 58.87 56.79 1x45 n SER 2 Cb 0.00 -0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 62.67 1x45 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x45 s SER 3 N -3.55 4.25 0.00 6.43 0.01 -1.26 -5.09 113.70 114.49 1x45 s SER 3 Ca 0.35 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1x45 s SER 3 Cb 0.39 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1x45 s SER 3 CO -0.02 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1x45 n GLY 4 N -1.28 -0.89 3.56 3.44 0.00 -1.26 -5.08 105.19 103.67 1x45 n GLY 4 Ca -0.08 0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 1x45 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x45 s SER 5 N 0.00 6.04 -0.04 1.61 0.15 -1.26 -4.92 113.70 115.28 1x45 s SER 5 Ca 0.00 -1.09 -0.02 0.00 0.70 0.00 0.00 55.95 55.55 1x45 s SER 5 Cb 0.00 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 1x45 s SER 5 CO 0.00 -1.92 0.05 -0.55 1.20 0.00 0.00 173.24 172.01 1x45 s SER 6 N 5.89 1.06 0.00 5.45 0.15 -1.26 -4.46 113.70 120.53 1x45 s SER 6 Ca 0.53 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1x45 s SER 6 Cb -0.03 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1x45 s SER 6 CO -0.04 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1x45 n GLY 7 N 5.14 -0.41 3.71 9.45 0.00 0.42 -4.97 105.19 118.53 1x45 n GLY 7 Ca -0.07 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 6.71 0.20 1.61 1.01 -1.26 -1.16 116.67 119.77 1x45 s ASP 8 Ca 0.00 2.43 0.11 0.00 0.71 0.00 0.00 52.55 55.80 1x45 s ASP 8 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1x45 s ASP 8 CO 0.00 -0.76 -0.22 -0.69 0.21 0.00 0.00 175.17 173.71 1x45 s VAL 9 N 1.52 2.28 -0.19 -1.27 1.01 0.20 -4.92 120.40 119.03 1x45 s VAL 9 Ca 0.68 -2.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.56 1x45 s VAL 9 Cb -0.39 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 33.95 1x45 s VAL 9 CO 0.30 -0.19 0.06 -0.36 0.00 0.00 0.00 175.10 174.91 1x45 s PHE 10 N -1.86 0.72 -0.37 5.22 0.08 -1.26 -1.14 117.98 119.38 1x45 s PHE 10 Ca 0.21 -0.67 -0.19 0.00 0.12 0.00 0.00 56.93 56.40 1x45 s PHE 10 Cb -0.07 -0.91 0.00 0.00 -0.57 0.00 0.00 43.02 41.47 1x45 s PHE 10 CO 0.10 -0.58 0.57 0.42 -0.10 0.00 0.00 175.22 175.63 1x45 s ILE 11 N 1.96 4.95 -0.42 0.64 -1.09 -0.59 -4.95 121.20 121.70 1x45 s ILE 11 Ca 0.00 0.35 -0.18 0.00 -2.23 0.00 0.00 60.65 58.59 1x45 s ILE 11 Cb -0.17 -4.04 0.02 0.00 -1.58 0.00 0.00 42.46 36.70 1x45 s ILE 11 CO -0.09 -0.31 0.49 -1.61 -1.23 0.00 0.00 174.94 172.19 1x45 s GLU 12 N 2.54 3.18 0.18 2.79 2.02 -1.26 -2.63 118.70 125.52 1x45 s GLU 12 Ca 0.21 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.60 1x45 s GLU 12 Cb -0.15 -3.95 -0.01 0.00 0.10 0.00 0.00 34.13 30.12 1x45 s GLU 12 CO 0.15 -0.88 0.09 0.36 0.02 0.00 0.00 175.26 175.00 1x45 n LYS 13 N 5.78 0.55 -4.47 1.61 2.85 -0.86 -4.93 118.16 118.69 1x45 n LYS 13 Ca -0.06 -1.60 -0.34 0.00 -1.05 0.00 0.00 58.31 55.26 1x45 n LYS 13 Cb 0.48 1.04 -0.12 0.00 -0.65 0.00 0.00 35.03 35.78 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 -2.70 3.31 0.34 -1.58 -0.21 -1.26 -4.41 119.66 113.16 1x45 s GLN 14 Ca 0.13 -0.51 -0.28 0.00 0.02 0.00 0.00 55.36 54.72 1x45 s GLN 14 Cb 0.01 -2.80 -0.12 0.00 1.00 0.00 0.00 33.01 31.09 1x45 s GLN 14 CO 0.09 0.43 1.33 1.63 -2.12 0.00 0.00 175.29 176.65 1x45 n LYS 15 N 2.97 2.22 0.00 2.91 5.02 -1.26 -2.74 118.16 127.28 1x45 n LYS 15 Ca -0.18 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1x45 n LYS 15 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 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 0.77 2.58 3.94 0.72 0.00 0.11 -4.96 105.19 108.36 1x45 n GLY 16 Ca 0.04 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 1x45 n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x45 s GLU 17 N 0.00 3.49 0.84 1.61 -1.05 -1.11 -4.85 118.70 117.63 1x45 s GLU 17 Ca 0.00 -0.43 -0.13 0.00 -0.15 0.00 0.00 54.97 54.27 1x45 s GLU 17 Cb 0.00 -2.75 0.11 0.00 -0.44 0.00 0.00 34.13 31.04 1x45 s GLU 17 CO 0.00 0.27 1.20 0.96 0.95 0.00 0.00 175.26 178.64 1x45 s ILE 18 N -2.14 2.01 -2.00 1.83 -4.36 -1.26 -4.11 121.20 111.17 1x45 s ILE 18 Ca 0.38 -0.02 0.07 0.00 -0.26 0.00 0.00 60.65 60.83 1x45 s ILE 18 Cb -0.10 -3.00 0.20 0.00 1.25 0.00 0.00 42.46 40.82 1x45 s ILE 18 CO 0.33 0.00 1.17 -0.11 0.24 0.00 0.00 174.94 176.57 1x45 n LEU 19 N -3.40 0.00 -3.92 0.37 7.94 -1.26 -4.62 117.00 112.10 1x45 n LEU 19 Ca 0.10 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.73 1x45 n LEU 19 Cb 0.61 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.50 1x45 n LEU 19 CO 0.54 0.00 -0.31 0.61 -1.11 0.00 0.00 177.39 177.13 1x45 n GLY 20 N 0.48 -0.23 3.17 -3.96 0.00 -1.26 -3.31 105.19 100.08 1x45 n GLY 20 Ca 0.05 0.17 -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 -4.02 0.02 -0.07 1.61 0.11 -1.26 -0.75 120.40 116.05 1x45 s VAL 21 Ca 0.10 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 59.00 1x45 s VAL 21 Cb -0.06 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1x45 s VAL 21 CO 0.76 -0.09 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.65 1x45 s VAL 22 N -0.30 3.46 0.22 2.04 1.01 0.39 -4.97 120.40 122.24 1x45 s VAL 22 Ca -0.04 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.47 1x45 s VAL 22 Cb -0.03 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1x45 s VAL 22 CO 0.01 0.59 -0.19 0.27 0.00 0.00 0.00 175.10 175.79 1x45 s ILE 23 N -0.71 2.09 0.24 2.22 -4.36 -1.26 0.18 121.20 119.60 1x45 s ILE 23 Ca 0.11 -2.16 -0.05 0.00 -0.26 0.00 0.00 60.65 58.28 1x45 s ILE 23 Cb -0.11 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.50 1x45 s ILE 23 CO 0.01 -0.38 0.32 0.68 0.24 0.00 0.00 174.94 175.81 1x45 s VAL 24 N -2.36 0.00 0.17 8.37 -7.23 0.36 -4.73 120.40 114.99 1x45 s VAL 24 Ca 0.23 -1.72 -0.32 0.00 -1.81 0.00 0.00 61.98 58.35 1x45 s VAL 24 Cb -0.05 -2.41 -0.12 0.00 0.56 0.00 0.00 36.38 34.37 1x45 s VAL 24 CO 0.10 0.00 1.76 -0.62 -0.31 0.00 0.00 175.10 176.03 1x45 n GLU 25 N -0.37 2.74 -0.29 4.82 1.02 -1.26 -1.42 120.64 125.88 1x45 n GLU 25 Ca 0.01 0.99 -0.05 0.00 -0.02 0.00 0.00 57.16 58.09 1x45 n GLU 25 Cb 0.64 -2.85 0.05 0.00 -0.02 0.00 0.00 31.44 29.25 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 4.58 3.12 -2.11 1.62 2.88 -1.26 -4.50 113.62 117.95 1x45 n SER 26 Ca 0.17 -2.37 -0.18 0.00 -1.33 0.00 0.00 58.87 55.16 1x45 n SER 26 Cb 0.35 -0.58 -0.05 0.00 -0.75 0.00 0.00 64.21 63.18 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 0.11 3.77 2.01 0.46 0.00 -1.26 -4.06 105.19 106.23 1x45 n GLY 27 Ca 0.14 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 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 1.17 2.68 -1.24 1.61 7.02 -1.26 -4.84 117.44 122.58 1x45 n TRP 28 Ca 0.37 -2.42 0.00 0.00 -1.02 0.00 0.00 57.50 54.43 1x45 n TRP 28 Cb 0.64 -0.86 0.00 0.00 -2.42 0.00 0.00 31.31 28.67 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 -0.90 1.03 3.74 6.99 0.00 -1.26 -4.83 105.19 109.97 1x45 n GLY 29 Ca 0.51 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.54 5.21 0.00 1.61 1.04 -1.26 -4.68 113.70 113.09 1x45 s SER 30 Ca 0.00 -0.22 -0.24 0.00 0.48 0.00 0.00 55.95 55.96 1x45 s SER 30 Cb 0.00 -1.27 -0.15 0.00 0.10 0.00 0.00 66.02 64.70 1x45 s SER 30 CO 0.00 0.09 1.08 0.40 0.98 0.00 0.00 173.24 175.79 1x45 h ILE 31 N 2.28 0.25 -3.36 -1.02 1.08 -1.99 -3.39 117.51 111.37 1x45 h ILE 31 Ca -0.47 -0.46 -0.76 0.00 -0.39 0.00 0.00 64.86 62.78 1x45 h ILE 31 Cb 1.20 0.37 -0.26 0.00 -3.07 0.00 0.00 36.82 35.05 1x45 h ILE 31 CO 0.61 0.04 -0.18 -0.76 -0.69 0.00 0.00 178.15 177.17 1x45 s LEU 32 N -9.47 6.18 -0.80 1.44 2.01 -1.26 -5.02 118.68 111.76 1x45 s LEU 32 Ca -0.13 -2.12 -0.25 0.00 0.01 0.00 0.00 54.13 51.64 1x45 s LEU 32 Cb 0.02 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 44.03 1x45 s LEU 32 CO 0.44 -0.72 1.92 -2.16 1.01 0.00 0.00 176.35 176.84 1x45 s PRO 33 N 1.07 2.58 0.00 1.29 0.04 -1.26 -4.71 135.00 134.01 1x45 s PRO 33 Ca 0.08 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1x45 s PRO 33 Cb -0.23 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.47 1x45 s PRO 33 CO -0.01 -3.16 0.00 0.25 0.04 0.00 0.00 177.00 174.12 1x45 n THR 34 N 7.65 0.00 -3.64 1.26 -2.24 -1.26 -3.74 114.28 112.31 1x45 n THR 34 Ca 0.34 0.05 -0.04 0.00 -2.27 0.00 0.00 64.05 62.12 1x45 n THR 34 Cb 0.49 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.84 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 -0.35 0.00 0.11 2.28 -7.23 -1.26 -4.32 120.40 109.63 1x45 s VAL 35 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.24 1x45 s VAL 35 Cb 0.00 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1x45 s VAL 35 CO 0.00 0.00 -0.16 0.27 -0.31 0.00 0.00 175.10 174.90 1x45 s ILE 36 N -0.09 1.45 -0.17 -0.62 -4.36 -0.51 -0.54 121.20 116.36 1x45 s ILE 36 Ca 0.06 -1.61 -0.29 0.00 -0.26 0.00 0.00 60.65 58.55 1x45 s ILE 36 Cb -0.04 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1x45 s ILE 36 CO -0.12 -0.27 1.70 -0.63 0.24 0.00 0.00 174.94 175.86 1x45 s ILE 37 N -1.69 3.56 -0.07 8.37 1.09 -0.63 -0.48 121.20 131.35 1x45 s ILE 37 Ca 0.07 0.64 0.14 0.00 -1.10 0.00 0.00 60.65 60.40 1x45 s ILE 37 Cb -0.07 -3.55 -0.16 0.00 -1.06 0.00 0.00 42.46 37.62 1x45 s ILE 37 CO 0.04 -0.20 0.87 0.00 -0.10 0.00 0.00 174.94 175.54 1x45 h ALA 38 N 10.92 0.67 -1.76 9.38 0.00 -0.56 -2.72 119.26 135.18 1x45 h ALA 38 Ca -0.36 -1.07 0.11 0.00 0.00 0.00 0.00 54.91 53.59 1x45 h ALA 38 Cb 1.17 0.28 -0.20 0.00 0.00 0.00 0.00 17.79 19.04 1x45 h ALA 38 CO 0.98 1.20 0.57 1.21 0.00 0.00 0.00 179.25 183.21 1x45 s ASN 39 N -6.07 -0.33 -0.06 0.00 2.47 -1.19 -4.97 114.94 104.79 1x45 s ASN 39 Ca -0.03 0.22 0.05 0.00 0.42 0.00 0.00 52.86 53.52 1x45 s ASN 39 Cb 0.08 0.30 -0.02 0.00 -1.45 0.00 0.00 41.25 40.17 1x45 s ASN 39 CO 0.81 -0.41 -0.20 -0.04 -3.72 0.00 0.00 177.10 173.54 1x45 s MET 40 N -1.89 2.61 0.13 0.43 -1.94 -1.26 -0.46 119.30 116.92 1x45 s MET 40 Ca 0.02 -0.81 -0.31 0.00 -1.71 0.00 0.00 55.69 52.87 1x45 s MET 40 Cb -0.01 -2.28 -0.10 0.00 2.01 0.00 0.00 34.83 34.45 1x45 s MET 40 CO -0.03 0.45 1.70 1.41 -0.01 0.00 0.00 175.02 178.54 1x45 s MET 41 N -0.31 4.17 -0.87 2.03 1.75 0.07 -4.84 119.30 121.31 1x45 s MET 41 Ca 0.01 2.46 -0.25 0.00 -1.25 0.00 0.00 55.69 56.66 1x45 s MET 41 Cb -0.13 -3.40 -0.20 0.00 2.84 0.00 0.00 34.83 33.94 1x45 s MET 41 CO 0.02 -0.74 1.93 -2.39 -0.65 0.00 0.00 175.02 173.19 1x45 n HIS 42 N 4.96 1.54 0.00 4.11 1.44 -1.26 -1.29 115.22 124.73 1x45 n HIS 42 Ca 0.16 -0.96 0.00 0.00 -2.01 0.00 0.00 57.72 54.91 1x45 n HIS 42 Cb 0.38 -2.13 0.00 0.00 0.12 0.00 0.00 29.99 28.36 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 5.53 1.43 3.47 -1.39 0.00 -1.26 -5.15 105.19 107.83 1x45 n GLY 43 Ca 0.45 0.00 -0.20 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 0.72 0.22 -0.02 0.00 -0.41 -4.94 105.19 100.76 1x45 n GLY 44 Ca 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 46.02 43.92 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 0.50 -0.06 1.61 0.13 -1.82 -2.21 132.00 130.14 1x45 h PRO 45 Ca -0.29 -0.26 -0.20 0.00 -0.87 0.00 0.00 66.00 64.38 1x45 h PRO 45 Cb 1.09 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x45 h PRO 45 CO 0.32 0.84 -0.79 0.00 -0.23 0.00 0.00 178.00 178.14 1x45 h ALA 46 N 1.13 0.51 -0.08 -0.56 0.00 -1.77 0.11 119.26 118.60 1x45 h ALA 46 Ca 0.03 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 1x45 h ALA 46 Cb 0.93 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1x45 h ALA 46 CO 0.08 0.77 -0.58 1.49 0.00 0.00 0.00 179.25 181.02 1x45 h GLU 47 N 0.28 0.26 0.09 0.00 4.57 -1.76 -3.14 114.58 114.88 1x45 h GLU 47 Ca -0.05 -0.17 -0.30 0.00 -1.18 0.00 0.00 59.36 57.67 1x45 h GLU 47 Cb 1.39 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.98 1x45 h GLU 47 CO 0.14 0.76 -1.54 0.87 -1.18 0.00 0.00 179.01 178.06 1x45 h LYS 48 N 0.19 0.20 -0.82 1.92 1.57 -1.38 -3.34 116.57 114.91 1x45 h LYS 48 Ca -0.00 -0.34 0.12 0.00 -1.87 0.00 0.00 60.65 58.56 1x45 h LYS 48 Cb 1.07 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.42 1x45 h LYS 48 CO 0.09 1.03 0.44 0.66 -0.57 0.00 0.00 179.45 181.10 1x45 h SER 49 N 0.05 0.56 -0.58 0.86 4.64 -0.76 -3.45 113.55 114.88 1x45 h SER 49 Ca -0.24 0.07 -0.25 0.00 -0.47 0.00 0.00 61.79 60.90 1x45 h SER 49 Cb 2.00 -0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 63.97 1x45 h SER 49 CO 0.14 0.28 -0.22 0.61 -0.87 0.00 0.00 176.83 176.77 1x45 n GLY 50 N -1.32 1.23 0.11 -0.77 0.00 -1.19 -4.84 105.19 98.41 1x45 n GLY 50 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.05 0.00 0.00 1.61 1.79 -1.88 -3.47 116.57 114.68 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 1.03 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.60 1x45 h LYS 51 CO 0.36 0.49 -0.37 1.47 -1.08 0.00 0.00 179.45 180.32 1x45 n LEU 52 N -3.13 0.00 -3.62 2.94 -0.00 -1.26 -4.98 117.00 106.95 1x45 n LEU 52 Ca -0.02 -2.83 -0.16 0.00 -0.00 0.00 0.00 56.01 53.00 1x45 n LEU 52 Cb 0.80 0.19 -0.07 0.00 -0.00 0.00 0.00 43.42 44.33 1x45 n LEU 52 CO 0.42 -0.47 0.29 0.20 -0.00 0.00 0.00 177.39 177.82 1x45 s ASN 53 N -3.74 -0.52 -0.53 1.45 0.01 -1.26 -5.06 114.94 105.29 1x45 s ASN 53 Ca 0.11 0.64 -0.34 0.00 -0.71 0.00 0.00 52.86 52.56 1x45 s ASN 53 Cb -0.01 0.62 -0.14 0.00 0.41 0.00 0.00 41.25 42.13 1x45 s ASN 53 CO 0.07 -0.48 2.34 -0.38 -1.51 0.00 0.00 177.10 177.14 1x45 n ILE 54 N 1.41 0.08 0.00 0.60 2.08 -1.26 -0.29 119.36 121.98 1x45 n ILE 54 Ca -0.19 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.85 1x45 n ILE 54 Cb 0.56 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 37.97 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 6.54 1.11 3.76 7.39 0.00 -1.03 -5.01 105.19 117.96 1x45 n GLY 55 Ca 0.47 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.01 5.99 0.06 1.61 1.11 0.60 -3.52 116.67 121.50 1x45 s ASP 56 Ca 0.00 2.67 0.05 0.00 0.18 0.00 0.00 52.55 55.44 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 -1.07 -0.04 0.00 1.18 0.00 0.00 175.17 175.24 1x45 s GLN 57 N -2.50 2.49 -0.35 8.23 -2.07 -1.01 -1.60 119.66 122.85 1x45 s GLN 57 Ca 0.62 -0.82 -0.16 0.00 -1.82 0.00 0.00 55.36 53.17 1x45 s GLN 57 Cb -0.38 -2.50 -0.01 0.00 -1.09 0.00 0.00 33.01 29.04 1x45 s GLN 57 CO 0.47 0.56 0.42 0.42 -1.32 0.00 0.00 175.29 175.84 1x45 s ILE 58 N -1.19 5.11 0.15 3.63 1.01 0.29 0.18 121.20 130.39 1x45 s ILE 58 Ca 0.22 0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.89 1x45 s ILE 58 Cb -0.11 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1x45 s ILE 58 CO 0.14 -0.14 1.57 0.24 0.00 0.00 0.00 174.94 176.74 1x45 h MET 59 N 8.46 0.89 -3.12 2.79 2.86 0.04 -3.39 114.93 123.45 1x45 h MET 59 Ca -0.29 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.04 1x45 h MET 59 Cb 1.14 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 1x45 h MET 59 CO 0.72 0.97 0.19 -1.54 1.06 0.00 0.00 176.91 178.31 1x45 s SER 60 N -6.47 -0.12 -0.25 1.22 1.04 -1.23 -2.95 113.70 104.93 1x45 s SER 60 Ca -0.12 -0.83 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 1x45 s SER 60 Cb 0.11 0.74 0.07 0.00 0.10 0.00 0.00 66.02 67.05 1x45 s SER 60 CO 0.84 -1.42 0.03 -0.63 0.98 0.00 0.00 173.24 173.04 1x45 s ILE 61 N -3.46 0.96 -1.77 -1.02 1.01 -0.71 -2.13 121.20 114.09 1x45 s ILE 61 Ca 0.14 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1x45 s ILE 61 Cb -0.05 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1x45 s ILE 61 CO 0.09 -0.35 0.00 0.59 0.00 0.00 0.00 174.94 175.27 1x45 n ASN 62 N 4.86 -5.21 0.00 3.58 3.02 0.21 -1.06 115.26 120.66 1x45 n ASN 62 Ca -0.07 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1x45 n ASN 62 Cb 0.44 -4.47 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 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 -0.70 0.97 3.08 7.41 0.00 -1.26 -5.04 105.19 109.65 1x45 n GLY 63 Ca -0.21 -0.03 -0.35 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 3.46 0.24 2.61 2.01 -0.23 -5.08 115.64 116.65 1x45 s THR 64 Ca 0.00 -2.82 -0.31 0.00 0.31 0.00 0.00 61.69 58.87 1x45 s THR 64 Cb 0.00 -3.29 -0.14 0.00 0.01 0.00 0.00 72.50 69.08 1x45 s THR 64 CO 0.00 -0.83 1.25 -0.24 -0.69 0.00 0.00 174.62 174.11 1x45 n SER 65 N 3.66 2.07 -0.17 3.53 2.88 -1.26 -1.75 113.62 122.59 1x45 n SER 65 Ca 0.06 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.84 1x45 n SER 65 Cb 0.38 -1.35 -0.06 0.00 -0.75 0.00 0.00 64.21 62.43 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 1.79 1.21 -4.63 2.46 4.77 -1.15 -4.90 117.00 116.55 1x45 n LEU 66 Ca 0.11 -0.60 -0.51 0.00 -0.03 0.00 0.00 56.01 54.98 1x45 n LEU 66 Cb 0.30 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1x45 n LEU 66 CO 0.62 0.26 1.54 0.52 -1.33 0.00 0.00 177.39 179.00 1x45 n VAL 67 N -0.88 0.41 0.00 4.08 0.31 -1.26 -0.54 118.33 120.45 1x45 n VAL 67 Ca 0.05 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1x45 n VAL 67 Cb 0.32 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 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 4.95 2.96 3.77 2.92 0.00 -1.25 -5.05 105.19 113.49 1x45 n GLY 68 Ca 0.29 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 4.16 0.76 0.99 1.43 0.30 -5.00 118.68 121.33 1x45 s LEU 69 Ca 0.00 2.64 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 1x45 s LEU 69 Cb 0.00 -3.96 0.05 0.00 0.03 0.00 0.00 46.19 42.31 1x45 s LEU 69 CO 0.00 -0.92 1.09 -2.16 0.23 0.00 0.00 176.35 174.59 1x45 s PRO 70 N -2.34 2.32 0.42 1.29 0.04 -1.26 -4.77 135.00 130.69 1x45 s PRO 70 Ca 0.59 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.90 1x45 s PRO 70 Cb -0.38 -1.90 0.90 0.00 0.04 0.00 0.00 34.50 33.16 1x45 s PRO 70 CO 0.48 -1.60 2.05 1.25 0.04 0.00 0.00 177.00 179.22 1x45 h LEU 71 N -1.00 0.44 -0.47 -3.56 5.85 -1.94 -0.65 115.31 113.97 1x45 h LEU 71 Ca -0.44 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.14 1x45 h LEU 71 Cb 1.23 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1x45 h LEU 71 CO 0.52 0.31 -0.22 0.28 -0.34 0.00 0.00 178.44 178.99 1x45 h SER 72 N 0.51 1.01 0.44 1.25 0.02 -1.98 -2.52 113.55 112.28 1x45 h SER 72 Ca 0.16 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1x45 h SER 72 Cb 0.03 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1x45 h SER 72 CO -0.04 1.18 -0.21 0.74 -1.14 0.00 0.00 176.83 177.36 1x45 h THR 73 N 0.84 0.17 -1.01 -2.27 2.02 -1.72 -3.03 112.91 107.90 1x45 h THR 73 Ca 0.11 -0.59 0.28 0.00 0.77 0.00 0.00 66.41 66.98 1x45 h THR 73 Cb 0.80 0.26 -0.13 0.00 -1.74 0.00 0.00 68.15 67.34 1x45 h THR 73 CO 0.07 0.04 0.60 0.00 0.37 0.00 0.00 175.52 176.59 1x45 h GLN 75 N 0.47 0.46 -0.75 0.00 4.20 -1.47 -2.48 115.11 115.53 1x45 h GLN 75 Ca 0.68 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.44 1x45 h GLN 75 Cb 1.44 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 29.05 1x45 h GLN 75 CO -0.51 0.31 0.42 1.03 -0.67 0.00 0.00 178.83 179.40 1x45 h SER 76 N 0.48 0.59 0.38 1.46 0.87 -0.52 0.28 113.55 117.09 1x45 h SER 76 Ca 0.15 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1x45 h SER 76 Cb -0.02 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1x45 h SER 76 CO -0.05 0.35 -0.02 0.40 -0.53 0.00 0.00 176.83 176.98 1x45 h ILE 77 N 0.72 0.14 0.00 2.23 2.04 -1.10 -1.74 117.51 119.80 1x45 h ILE 77 Ca 0.36 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 1x45 h ILE 77 Cb 0.30 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1x45 h ILE 77 CO -0.23 0.02 -1.68 -0.38 0.00 0.00 0.00 178.15 175.89 1x45 n ILE 78 N -3.23 0.62 0.19 -0.67 5.41 0.36 -4.10 119.36 117.95 1x45 n ILE 78 Ca -0.02 -0.61 0.09 0.00 1.00 0.00 0.00 62.75 63.22 1x45 n ILE 78 Cb 0.18 -0.32 0.12 0.00 -0.71 0.00 0.00 39.64 38.91 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 -0.39 0.38 1.57 0.24 -3.19 116.57 115.18 1x45 h LYS 79 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1x45 h LYS 79 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1x45 h LYS 79 CO 0.01 0.14 0.00 0.41 -0.57 0.00 0.00 179.45 179.45 1x45 n GLY 80 N 1.14 0.44 0.35 3.86 0.00 -0.75 -3.49 105.19 106.75 1x45 n GLY 80 Ca 0.03 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 0.07 1.35 0.07 0.99 4.77 -1.21 -4.23 117.00 118.81 1x45 n LEU 81 Ca 0.06 -0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 55.50 1x45 n LEU 81 Cb 0.25 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1x45 n LEU 81 CO 0.05 0.25 0.76 0.50 -1.33 0.00 0.00 177.39 177.62 1x45 h LYS 82 N 1.72 -0.12 0.00 3.23 3.64 -1.71 -2.18 116.57 121.14 1x45 h LYS 82 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1x45 h LYS 82 Cb 0.57 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1x45 h LYS 82 CO 0.00 0.05 0.13 -0.91 -2.27 0.00 0.00 179.45 176.45 1x45 h ASN 83 N -0.28 0.00 -2.69 4.20 4.21 -1.83 0.32 115.58 119.51 1x45 h ASN 83 Ca -0.01 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.91 1x45 h ASN 83 Cb 0.24 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.34 1x45 h ASN 83 CO 0.02 0.00 -0.63 0.00 -1.29 0.00 0.00 177.43 175.53 1x45 s GLN 84 N -3.91 2.48 -0.13 0.81 -2.07 -0.82 -4.55 119.66 111.47 1x45 s GLN 84 Ca -0.04 -1.13 -0.12 0.00 -1.82 0.00 0.00 55.36 52.26 1x45 s GLN 84 Cb 0.09 -2.37 -0.04 0.00 -1.09 0.00 0.00 33.01 29.60 1x45 s GLN 84 CO 0.29 0.44 -0.24 -1.13 -1.32 0.00 0.00 175.29 173.34 1x45 n SER 85 N -0.36 1.46 -4.74 12.60 3.41 -1.26 -4.16 113.62 120.56 1x45 n SER 85 Ca -0.09 0.32 -0.39 0.00 -0.26 0.00 0.00 58.87 58.45 1x45 n SER 85 Cb 0.56 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.34 4.38 -0.04 4.33 3.52 -1.26 -2.03 118.95 125.51 1x45 s ARG 86 Ca -0.20 0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 56.15 1x45 s ARG 86 Cb 0.03 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 1x45 s ARG 86 CO 0.29 0.22 0.08 0.08 -0.81 0.00 0.00 175.30 175.16 1x45 s VAL 87 N 0.32 -0.03 -0.19 7.11 1.01 -1.08 -5.02 120.40 122.52 1x45 s VAL 87 Ca 0.33 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 1x45 s VAL 87 Cb -0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 1x45 s VAL 87 CO 0.17 0.04 0.11 -0.75 0.00 0.00 0.00 175.10 174.67 1x45 s LYS 88 N 0.60 4.10 -0.02 2.72 2.20 -1.26 -1.54 119.74 126.53 1x45 s LYS 88 Ca -0.05 -0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.28 1x45 s LYS 88 Cb -0.06 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1x45 s LYS 88 CO -0.02 0.32 0.08 -0.51 -0.36 0.00 0.00 175.35 174.86 1x45 s LEU 89 N 0.29 1.74 -0.31 5.43 1.43 -0.29 0.65 118.68 127.62 1x45 s LEU 89 Ca 0.07 -0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 1x45 s LEU 89 Cb -0.11 0.35 -0.02 0.00 0.03 0.00 0.00 46.19 46.43 1x45 s LEU 89 CO -0.01 -0.15 0.38 0.21 0.23 0.00 0.00 176.35 177.00 1x45 s ASN 90 N -0.51 6.22 0.02 2.29 3.04 -0.90 0.60 114.94 125.69 1x45 s ASN 90 Ca -0.06 0.05 0.01 0.00 0.04 0.00 0.00 52.86 52.90 1x45 s ASN 90 Cb -0.04 -2.21 -0.04 0.00 -1.54 0.00 0.00 41.25 37.43 1x45 s ASN 90 CO 0.00 -0.27 0.05 -0.63 -3.04 0.00 0.00 177.10 173.21 1x45 s ILE 91 N 2.07 4.45 -0.21 -5.21 -1.09 -0.31 0.78 121.20 121.67 1x45 s ILE 91 Ca 0.14 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 57.95 1x45 s ILE 91 Cb -0.16 -3.04 0.10 0.00 -1.58 0.00 0.00 42.46 37.78 1x45 s ILE 91 CO 0.11 0.31 0.23 -0.69 -1.23 0.00 0.00 174.94 173.67 1x45 s VAL 92 N -1.19 -0.34 -0.41 2.92 1.01 0.13 -0.44 120.40 122.08 1x45 s VAL 92 Ca 0.23 -0.15 -0.37 0.00 0.00 0.00 0.00 61.98 61.69 1x45 s VAL 92 Cb -0.12 -0.71 -0.16 0.00 0.00 0.00 0.00 36.38 35.39 1x45 s VAL 92 CO 0.14 -0.22 1.57 -0.24 0.00 0.00 0.00 175.10 176.35 1x45 n SER 93 N 5.32 0.78 -3.35 3.32 2.88 -1.26 -2.39 113.62 118.91 1x45 n SER 93 Ca -0.05 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1x45 n SER 93 Cb 0.49 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 4.93 -2.69 3.75 0.46 0.00 -1.23 -4.82 105.19 105.59 1x45 n GLY 94 Ca 0.37 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.70 4.42 -0.78 1.61 0.04 -1.26 -4.98 135.00 133.34 1x45 s PRO 95 Ca 0.00 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1x45 s PRO 95 Cb 0.00 -3.17 0.17 0.00 0.04 0.00 0.00 34.50 31.54 1x45 s PRO 95 CO 0.00 -0.18 0.81 -1.12 0.04 0.00 0.00 177.00 176.55 1x45 s SER 96 N 0.02 6.57 0.19 6.66 0.01 -1.26 -5.03 113.70 120.86 1x45 s SER 96 Ca 0.53 -2.24 0.09 0.00 1.31 0.00 0.00 55.95 55.64 1x45 s SER 96 Cb -0.36 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1x45 s SER 96 CO 0.41 -0.80 -0.07 -0.94 0.41 0.00 0.00 173.24 172.25 1x45 s SER 97 N 2.89 4.37 0.00 2.44 1.04 -1.26 -5.24 113.70 117.93 1x45 s SER 97 Ca 0.18 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1x45 s SER 97 Cb -0.14 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.20 1x45 s SER 97 CO -0.05 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.87