#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5j s SER 2 N 0.00 5.64 0.21 1.61 1.04 -1.26 -4.96 113.70 115.98 1x5j s SER 2 Ca 0.00 -2.14 -0.14 0.00 0.48 0.00 0.00 55.95 54.16 1x5j s SER 2 Cb 0.00 -1.97 0.23 0.00 0.10 0.00 0.00 66.02 64.38 1x5j s SER 2 CO 0.00 -0.61 1.63 0.28 0.98 0.00 0.00 173.24 175.52 1x5j h SER 3 N 8.12 -0.57 0.00 7.02 0.02 -2.02 -3.46 113.55 122.66 1x5j h SER 3 Ca -0.14 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1x5j h SER 3 Cb 1.05 0.38 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1x5j h SER 3 CO 0.80 -0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.90 1x5j n GLY 4 N -1.42 1.88 3.94 -3.77 0.00 -1.26 -4.97 105.19 99.59 1x5j n GLY 4 Ca 0.07 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 1x5j n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5j s SER 5 N -0.13 6.31 0.28 1.61 0.15 -1.26 -5.04 113.70 115.61 1x5j s SER 5 Ca 0.00 0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.53 1x5j s SER 5 Cb 0.00 -1.89 -0.15 0.00 -1.71 0.00 0.00 66.02 62.27 1x5j s SER 5 CO 0.00 0.04 0.66 -1.20 1.20 0.00 0.00 173.24 173.93 1x5j n SER 6 N -0.66 -0.46 0.00 5.45 7.64 -1.26 -4.74 113.62 119.60 1x5j n SER 6 Ca -0.07 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1x5j n SER 6 Cb 0.54 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1x5j n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5j n GLY 7 N 1.73 -1.65 3.74 0.23 0.00 -1.26 -5.13 105.19 102.85 1x5j n GLY 7 Ca 0.14 0.75 -0.41 0.00 0.00 0.00 0.00 46.02 46.49 1x5j n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5j s PRO 8 N 0.00 4.40 0.62 1.61 0.04 -1.26 -4.96 135.00 135.45 1x5j s PRO 8 Ca 0.00 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 1x5j s PRO 8 Cb 0.00 -3.19 -0.12 0.00 0.04 0.00 0.00 34.50 31.23 1x5j s PRO 8 CO 0.00 -0.24 0.01 -1.33 0.04 0.00 0.00 177.00 175.48 1x5j n MET 9 N 2.56 0.14 -2.92 4.56 2.81 -0.73 -4.86 117.12 118.68 1x5j n MET 9 Ca 0.06 0.06 -0.41 0.00 -1.81 0.00 0.00 57.70 55.59 1x5j n MET 9 Cb 0.43 -1.27 -0.04 0.00 -0.71 0.00 0.00 33.22 31.63 1x5j n MET 9 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1x5j s MET 10 N -1.64 4.22 1.01 0.03 -1.94 -1.26 -3.99 119.30 115.73 1x5j s MET 10 Ca 0.58 0.92 -0.12 0.00 -1.71 0.00 0.00 55.69 55.36 1x5j s MET 10 Cb -0.42 -3.62 0.20 0.00 2.01 0.00 0.00 34.83 33.00 1x5j s MET 10 CO 0.65 -0.43 1.09 -1.25 -0.01 0.00 0.00 175.02 175.07 1x5j s PRO 11 N 2.54 0.31 1.05 2.03 0.04 -1.26 -4.89 135.00 134.83 1x5j s PRO 11 Ca 0.35 0.49 -0.14 0.00 0.04 0.00 0.00 61.00 61.74 1x5j s PRO 11 Cb -0.16 -1.73 0.22 0.00 0.04 0.00 0.00 34.50 32.87 1x5j s PRO 11 CO 0.09 -2.80 1.10 -1.25 0.04 0.00 0.00 177.00 174.17 1x5j s PRO 12 N -4.96 -0.01 0.35 0.56 0.04 -1.26 -4.83 135.00 124.88 1x5j s PRO 12 Ca 0.66 0.37 0.06 0.00 0.04 0.00 0.00 61.00 62.12 1x5j s PRO 12 Cb -0.19 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1x5j s PRO 12 CO 0.58 -3.00 0.21 1.33 0.04 0.00 0.00 177.00 176.16 1x5j n VAL 13 N -4.34 0.00 -1.42 -0.36 0.24 -0.77 -4.80 118.33 106.88 1x5j n VAL 13 Ca 0.07 -2.27 -0.15 0.00 -2.04 0.00 0.00 64.34 59.94 1x5j n VAL 13 Cb 0.58 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.88 1x5j n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5j n GLY 14 N -0.62 1.44 3.58 7.63 0.00 -1.26 0.08 105.19 116.03 1x5j n GLY 14 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1x5j n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5j s VAL 15 N -2.26 3.04 0.14 1.61 1.01 -1.25 -4.40 120.40 118.28 1x5j s VAL 15 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1x5j s VAL 15 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1x5j s VAL 15 CO 0.00 -0.06 -0.14 -1.58 0.00 0.00 0.00 175.10 173.32 1x5j s GLN 16 N 7.12 1.09 -0.13 2.72 0.74 -1.04 -4.77 119.66 125.39 1x5j s GLN 16 Ca 0.97 -1.31 0.00 0.00 0.05 0.00 0.00 55.36 55.07 1x5j s GLN 16 Cb -0.25 -0.96 0.02 0.00 1.10 0.00 0.00 33.01 32.92 1x5j s GLN 16 CO 0.31 0.18 -0.12 0.00 -0.55 0.00 0.00 175.29 175.11 1x5j s ALA 17 N -2.31 1.64 -0.12 1.58 0.00 -1.26 -3.04 121.76 118.26 1x5j s ALA 17 Ca 0.12 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 1x5j s ALA 17 Cb -0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1x5j s ALA 17 CO 0.04 -0.32 0.12 0.45 0.00 0.00 0.00 175.76 176.05 1x5j s SER 18 N 1.44 6.26 -0.59 0.00 0.15 -0.60 -4.92 113.70 115.44 1x5j s SER 18 Ca 0.02 0.43 -0.25 0.00 0.70 0.00 0.00 55.95 56.86 1x5j s SER 18 Cb -0.13 -2.00 0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1x5j s SER 18 CO -0.08 0.40 1.01 -0.63 1.20 0.00 0.00 173.24 175.14 1x5j s ILE 19 N -0.99 4.26 -0.23 6.45 -1.09 -1.26 -1.98 121.20 126.37 1x5j s ILE 19 Ca 0.15 0.25 0.11 0.00 -2.23 0.00 0.00 60.65 58.92 1x5j s ILE 19 Cb -0.12 -4.63 -0.21 0.00 -1.58 0.00 0.00 42.46 35.92 1x5j s ILE 19 CO 0.04 -1.28 -0.07 0.18 -1.23 0.00 0.00 174.94 172.58 1x5j n LEU 20 N 7.82 1.36 -3.88 2.97 4.32 -0.67 -5.02 117.00 123.90 1x5j n LEU 20 Ca 0.02 -0.06 -0.07 0.00 -0.02 0.00 0.00 56.01 55.87 1x5j n LEU 20 Cb 0.47 -0.14 -0.02 0.00 -1.62 0.00 0.00 43.42 42.11 1x5j n LEU 20 CO 0.65 0.70 0.44 -0.44 -1.22 0.00 0.00 177.39 177.52 1x5j s SER 21 N -5.96 -0.23 0.50 -1.43 0.01 -0.23 -4.91 113.70 101.46 1x5j s SER 21 Ca -0.21 -0.67 0.24 0.00 1.31 0.00 0.00 55.95 56.62 1x5j s SER 21 Cb 0.07 0.72 1.32 0.00 0.21 0.00 0.00 66.02 68.34 1x5j s SER 21 CO 0.72 -1.34 1.93 1.12 0.41 0.00 0.00 173.24 176.08 1x5j h HIS 22 N 2.03 0.17 0.00 2.43 2.07 -1.92 -1.77 115.15 118.16 1x5j h HIS 22 Ca -0.20 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.32 1x5j h HIS 22 Cb 1.25 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 1x5j h HIS 22 CO 0.46 0.05 -0.23 -0.40 -3.07 0.00 0.00 177.93 174.74 1x5j n ASP 23 N -4.38 1.30 -4.06 3.10 5.75 -1.26 -4.15 116.55 112.84 1x5j n ASP 23 Ca 0.15 -2.61 -0.28 0.00 -0.01 0.00 0.00 54.79 52.04 1x5j n ASP 23 Cb 0.72 -0.33 -0.17 0.00 -1.03 0.00 0.00 41.12 40.32 1x5j n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1x5j s THR 24 N -1.60 1.44 -0.12 2.12 2.01 -0.67 -2.94 115.64 115.88 1x5j s THR 24 Ca 0.18 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 1x5j s THR 24 Cb 0.16 -1.30 0.05 0.00 0.01 0.00 0.00 72.50 71.41 1x5j s THR 24 CO 0.01 0.43 0.30 -0.63 -0.69 0.00 0.00 174.62 174.04 1x5j s ILE 25 N 0.80 -0.03 -0.10 1.82 1.01 -1.18 -1.06 121.20 122.46 1x5j s ILE 25 Ca -0.11 0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.43 1x5j s ILE 25 Cb -0.16 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 1x5j s ILE 25 CO 0.02 0.04 0.62 -0.60 0.00 0.00 0.00 174.94 175.02 1x5j s ARG 26 N 1.08 4.38 -0.29 2.79 3.52 -0.84 -1.69 118.95 127.90 1x5j s ARG 26 Ca -0.08 0.71 0.03 0.00 -0.13 0.00 0.00 55.73 56.26 1x5j s ARG 26 Cb -0.08 -3.46 0.07 0.00 -1.56 0.00 0.00 34.95 29.92 1x5j s ARG 26 CO -0.08 0.05 -0.04 0.42 -0.81 0.00 0.00 175.30 174.84 1x5j s ILE 27 N 0.91 2.30 0.03 4.11 -1.09 0.28 -1.56 121.20 126.17 1x5j s ILE 27 Ca 0.33 -1.86 0.09 0.00 -2.23 0.00 0.00 60.65 56.97 1x5j s ILE 27 Cb -0.17 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.22 1x5j s ILE 27 CO 0.15 -0.24 -0.26 0.42 -1.23 0.00 0.00 174.94 173.78 1x5j s THR 28 N 1.05 2.08 0.32 2.92 -4.23 -1.17 0.12 115.64 116.73 1x5j s THR 28 Ca -0.02 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1x5j s THR 28 Cb -0.20 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.86 1x5j s THR 28 CO -0.06 0.41 0.34 -1.66 -0.54 0.00 0.00 174.62 173.12 1x5j s TRP 29 N -0.75 1.41 0.44 3.99 -2.14 -1.12 -2.49 118.94 118.27 1x5j s TRP 29 Ca 0.11 -1.48 0.03 0.00 2.66 0.00 0.00 56.10 57.43 1x5j s TRP 29 Cb -0.10 -0.44 -0.02 0.00 -3.10 0.00 0.00 33.47 29.81 1x5j s TRP 29 CO 0.01 -0.95 0.12 0.00 -2.66 0.00 0.00 176.95 173.47 1x5j s ALA 30 N -3.37 3.18 -0.08 2.67 0.00 0.11 -4.71 121.76 119.57 1x5j s ALA 30 Ca 0.36 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 1x5j s ALA 30 Cb 0.02 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.84 1x5j s ALA 30 CO 0.23 -0.30 0.15 0.34 0.00 0.00 0.00 175.76 176.18 1x5j s ASP 31 N -3.67 0.61 0.02 0.00 -1.08 -1.26 -1.85 116.67 109.44 1x5j s ASP 31 Ca 0.19 0.30 -0.18 0.00 -0.52 0.00 0.00 52.55 52.34 1x5j s ASP 31 Cb 0.01 0.22 -0.26 0.00 -1.46 0.00 0.00 42.92 41.43 1x5j s ASP 31 CO 0.13 -0.22 1.09 0.78 0.52 0.00 0.00 175.17 177.47 1x5j h ASN 32 N 8.14 0.67 -1.26 -0.34 4.21 -1.94 -3.27 115.58 121.79 1x5j h ASN 32 Ca -0.19 -0.79 0.46 0.00 1.21 0.00 0.00 56.30 56.98 1x5j h ASN 32 Cb 1.12 -0.21 -0.15 0.00 -1.12 0.00 0.00 38.32 37.96 1x5j h ASN 32 CO 0.20 1.39 0.78 -0.24 -1.29 0.00 0.00 177.43 178.27 1x5j n SER 33 N -4.05 0.25 -4.80 5.81 2.88 -1.26 -4.34 113.62 108.11 1x5j n SER 33 Ca -0.12 1.45 -0.35 0.00 -1.33 0.00 0.00 58.87 58.53 1x5j n SER 33 Cb 0.80 -0.71 -0.05 0.00 -0.75 0.00 0.00 64.21 63.49 1x5j n SER 33 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1x5j s LEU 34 N -9.72 4.04 0.00 2.46 1.43 -1.23 -5.06 118.68 110.60 1x5j s LEU 34 Ca -0.08 1.86 -0.18 0.00 -1.03 0.00 0.00 54.13 54.70 1x5j s LEU 34 Cb 0.32 -4.36 0.27 0.00 0.03 0.00 0.00 46.19 42.44 1x5j s LEU 34 CO 0.80 -0.44 0.96 -0.81 0.23 0.00 0.00 176.35 177.09 1x5j n PRO 35 N -0.35 -2.90 -0.43 1.29 -0.04 -1.26 -4.82 135.00 126.49 1x5j n PRO 35 Ca 0.06 -1.53 0.37 0.00 -0.04 0.00 0.00 63.50 62.36 1x5j n PRO 35 Cb 0.52 -1.44 0.62 0.00 -0.04 0.00 0.00 33.50 33.17 1x5j n PRO 35 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x5j n LYS 36 N -4.44 -0.03 -3.28 0.54 5.02 -1.26 -3.54 118.16 111.17 1x5j n LYS 36 Ca 0.13 1.16 -0.43 0.00 -2.02 0.00 0.00 58.31 57.15 1x5j n LYS 36 Cb 0.52 -2.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.17 1x5j n LYS 36 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1x5j s HIS 37 N -5.13 3.15 -0.79 2.13 -3.43 -1.26 -5.01 115.29 104.95 1x5j s HIS 37 Ca -0.07 -0.52 -0.25 0.00 -0.80 0.00 0.00 55.06 53.42 1x5j s HIS 37 Cb 0.29 -3.14 -0.03 0.00 -1.43 0.00 0.00 32.58 28.26 1x5j s HIS 37 CO 0.75 -0.82 1.88 -0.65 -2.00 0.00 0.00 174.74 173.90 1x5j s GLN 38 N 2.21 2.64 -0.17 -0.38 -0.21 -1.23 -4.90 119.66 117.61 1x5j s GLN 38 Ca 0.12 0.03 -0.03 0.00 0.02 0.00 0.00 55.36 55.50 1x5j s GLN 38 Cb -0.19 -4.79 0.06 0.00 1.00 0.00 0.00 33.01 29.09 1x5j s GLN 38 CO 0.12 -3.05 0.05 0.21 -2.12 0.00 0.00 175.29 170.50 1x5j s LYS 39 N 6.91 0.42 -0.11 2.91 2.20 -1.26 -5.11 119.74 125.71 1x5j s LYS 39 Ca 0.67 -0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.76 1x5j s LYS 39 Cb -0.09 -1.85 -0.04 0.00 -1.51 0.00 0.00 37.83 34.34 1x5j s LYS 39 CO 0.08 -0.61 1.52 0.42 -0.36 0.00 0.00 175.35 176.40 1x5j s ILE 40 N 1.97 3.83 -0.45 5.43 1.01 -1.26 -4.93 121.20 126.80 1x5j s ILE 40 Ca 0.01 0.99 0.09 0.00 0.00 0.00 0.00 60.65 61.74 1x5j s ILE 40 Cb -0.16 -3.66 0.30 0.00 0.01 0.00 0.00 42.46 38.94 1x5j s ILE 40 CO -0.08 -0.11 0.68 0.35 0.00 0.00 0.00 174.94 175.79 1x5j n THR 41 N 5.54 0.48 -3.71 2.92 -2.24 -1.26 -5.08 114.28 110.91 1x5j n THR 41 Ca 0.16 -4.61 -0.05 0.00 -2.27 0.00 0.00 64.05 57.29 1x5j n THR 41 Cb 0.44 -1.34 0.02 0.00 -2.10 0.00 0.00 70.33 67.35 1x5j n THR 41 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x5j n ASP 42 N 0.72 -1.58 -3.40 3.42 5.68 -1.26 -5.07 116.55 115.06 1x5j n ASP 42 Ca 0.25 -1.97 -0.35 0.00 -0.50 0.00 0.00 54.79 52.22 1x5j n ASP 42 Cb 0.54 2.60 -0.01 0.00 -1.14 0.00 0.00 41.12 43.11 1x5j n ASP 42 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1x5j n SER 43 N -1.28 6.05 -4.66 -1.12 7.64 -1.26 -5.02 113.62 113.97 1x5j n SER 43 Ca -0.04 -3.66 -0.26 0.00 1.01 0.00 0.00 58.87 55.93 1x5j n SER 43 Cb 0.46 -0.93 -0.09 0.00 -1.01 0.00 0.00 64.21 62.65 1x5j n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5j s ARG 44 N -3.81 2.09 0.03 1.43 1.70 -1.26 -4.74 118.95 114.40 1x5j s ARG 44 Ca 0.42 -1.89 0.01 0.00 -0.47 0.00 0.00 55.73 53.81 1x5j s ARG 44 Cb 0.21 -1.86 -0.02 0.00 -0.57 0.00 0.00 34.95 32.70 1x5j s ARG 44 CO -0.11 -0.01 -0.05 1.52 -1.08 0.00 0.00 175.30 175.57 1x5j s TYR 45 N -2.60 0.46 -0.03 5.89 1.13 -1.23 -4.86 117.35 116.10 1x5j s TYR 45 Ca 0.37 -0.50 -0.00 0.00 -1.41 0.00 0.00 57.07 55.53 1x5j s TYR 45 Cb 0.04 -0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.57 1x5j s TYR 45 CO 0.20 -0.13 0.02 0.71 -2.51 0.00 0.00 175.55 173.84 1x5j s TYR 46 N -1.36 3.15 -0.10 -3.49 2.02 -1.25 -3.04 117.35 113.27 1x5j s TYR 46 Ca -0.12 0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 1x5j s TYR 46 Cb -0.10 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 1x5j s TYR 46 CO -0.00 0.48 -0.17 0.99 -1.57 0.00 0.00 175.55 175.28 1x5j s THR 47 N -1.03 1.55 -0.27 -0.71 2.01 -1.05 -2.79 115.64 113.35 1x5j s THR 47 Ca 0.18 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.48 1x5j s THR 47 Cb -0.12 -1.39 0.05 0.00 0.01 0.00 0.00 72.50 71.05 1x5j s THR 47 CO 0.08 0.45 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.71 1x5j s VAL 48 N 0.77 2.69 0.20 3.82 1.01 -1.22 -2.36 120.40 125.31 1x5j s VAL 48 Ca -0.11 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.53 1x5j s VAL 48 Cb -0.16 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1x5j s VAL 48 CO 0.02 0.01 0.36 0.00 0.00 0.00 0.00 175.10 175.48 1x5j s ARG 49 N 1.23 3.47 -0.09 2.72 1.70 -1.19 -1.88 118.95 124.92 1x5j s ARG 49 Ca -0.05 -0.50 -0.18 0.00 -0.47 0.00 0.00 55.73 54.53 1x5j s ARG 49 Cb -0.19 -2.88 0.04 0.00 -0.57 0.00 0.00 34.95 31.35 1x5j s ARG 49 CO -0.03 0.43 0.44 1.67 -1.08 0.00 0.00 175.30 176.73 1x5j s TRP 50 N -1.87 -0.40 0.26 5.89 -2.14 -1.23 -2.94 118.94 116.51 1x5j s TRP 50 Ca 0.36 0.82 -0.20 0.00 2.66 0.00 0.00 56.10 59.74 1x5j s TRP 50 Cb -0.11 0.18 0.02 0.00 -3.10 0.00 0.00 33.47 30.47 1x5j s TRP 50 CO 0.29 -0.37 0.66 -1.59 -2.66 0.00 0.00 176.95 173.28 1x5j s LYS 51 N -0.66 1.67 0.20 3.25 0.00 -1.25 -2.49 119.74 120.47 1x5j s LYS 51 Ca -0.08 -0.96 0.11 0.00 0.00 0.00 0.00 55.97 55.04 1x5j s LYS 51 Cb -0.03 0.58 -0.04 0.00 0.00 0.00 0.00 37.83 38.33 1x5j s LYS 51 CO 0.04 -0.75 -0.18 -0.08 0.00 0.00 0.00 175.35 174.38 1x5j s THR 52 N -3.91 2.70 -2.00 3.79 -1.32 -1.26 -3.08 115.64 110.56 1x5j s THR 52 Ca 0.11 -1.94 0.22 0.00 -1.21 0.00 0.00 61.69 58.87 1x5j s THR 52 Cb -0.04 -2.33 0.63 0.00 -1.51 0.00 0.00 72.50 69.25 1x5j s THR 52 CO 0.04 -0.16 1.73 -3.20 -2.21 0.00 0.00 174.62 170.83 1x5j n ASN 53 N 0.04 0.00 -3.80 8.08 2.85 -1.25 -4.62 115.26 116.56 1x5j n ASN 53 Ca -0.11 -0.85 -0.20 0.00 -0.11 0.00 0.00 54.58 53.31 1x5j n ASN 53 Cb 0.56 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.41 1x5j n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1x5j s ILE 54 N -2.00 0.29 0.00 -1.44 -1.09 -1.26 -3.88 121.20 111.82 1x5j s ILE 54 Ca 0.33 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 1x5j s ILE 54 Cb 0.15 -0.41 0.00 0.00 -1.58 0.00 0.00 42.46 40.62 1x5j s ILE 54 CO 0.26 0.21 0.00 -0.81 -1.23 0.00 0.00 174.94 173.36 1x5j n PRO 55 N 4.63 0.14 0.34 2.79 -0.04 -1.26 -5.05 135.00 136.55 1x5j n PRO 55 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 1x5j n PRO 55 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 1x5j n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5j h ALA 56 N -2.00 -1.19 -3.20 0.55 0.00 -1.90 -3.43 119.26 108.09 1x5j h ALA 56 Ca 0.00 -0.19 -0.62 0.00 0.00 0.00 0.00 54.91 54.10 1x5j h ALA 56 Cb 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 17.99 1x5j h ALA 56 CO 0.00 -1.13 -0.53 1.21 0.00 0.00 0.00 179.25 178.80 1x5j s ASN 57 N -3.36 5.89 0.16 0.00 2.47 -1.26 -4.92 114.94 113.91 1x5j s ASN 57 Ca -0.13 0.18 -0.07 0.00 0.42 0.00 0.00 52.86 53.26 1x5j s ASN 57 Cb 0.01 -1.99 -0.01 0.00 -1.45 0.00 0.00 41.25 37.81 1x5j s ASN 57 CO 0.38 0.22 0.24 0.42 -3.72 0.00 0.00 177.10 174.64 1x5j s THR 58 N 0.10 0.07 -0.28 -5.21 -4.23 -1.26 -5.07 115.64 99.76 1x5j s THR 58 Ca 0.07 -1.48 -0.29 0.00 -1.18 0.00 0.00 61.69 58.81 1x5j s THR 58 Cb -0.12 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.86 1x5j s THR 58 CO 0.00 -0.33 1.06 -0.54 -0.54 0.00 0.00 174.62 174.27 1x5j s LYS 59 N -3.98 4.16 0.08 3.99 1.02 -1.26 -4.99 119.74 118.76 1x5j s LYS 59 Ca 0.18 1.21 -0.31 0.00 0.02 0.00 0.00 55.97 57.07 1x5j s LYS 59 Cb 0.04 -3.69 -0.09 0.00 -0.52 0.00 0.00 37.83 33.57 1x5j s LYS 59 CO 0.00 -0.77 1.71 0.71 -0.92 0.00 0.00 175.35 176.09 1x5j s TYR 60 N 3.43 2.30 0.84 3.18 2.02 -1.26 -4.93 117.35 122.93 1x5j s TYR 60 Ca 0.45 0.20 -0.12 0.00 -0.37 0.00 0.00 57.07 57.22 1x5j s TYR 60 Cb -0.14 -4.03 0.10 0.00 -0.40 0.00 0.00 41.96 37.49 1x5j s TYR 60 CO 0.11 -4.20 1.17 0.15 -1.57 0.00 0.00 175.55 171.22 1x5j s LYS 61 N 2.76 1.68 -0.17 -0.62 -0.14 -1.04 -4.93 119.74 117.29 1x5j s LYS 61 Ca 0.76 0.13 -0.28 0.00 -1.36 0.00 0.00 55.97 55.23 1x5j s LYS 61 Cb -0.41 -1.92 0.08 0.00 -1.68 0.00 0.00 37.83 33.90 1x5j s LYS 61 CO 0.34 -1.79 0.76 0.54 -0.76 0.00 0.00 175.35 174.43 1x5j s ASN 62 N -4.45 -0.65 0.29 2.83 6.03 -1.26 -3.50 114.94 114.23 1x5j s ASN 62 Ca 0.63 1.00 0.05 0.00 -1.03 0.00 0.00 52.86 53.52 1x5j s ASN 62 Cb -0.12 0.93 -0.06 0.00 -3.03 0.00 0.00 41.25 38.97 1x5j s ASN 62 CO 0.50 -0.39 -0.02 0.00 -2.03 0.00 0.00 177.10 175.16 1x5j s ALA 63 N -0.41 2.29 -0.18 3.54 0.00 -0.79 -4.92 121.76 121.30 1x5j s ALA 63 Ca -0.04 -1.93 -0.01 0.00 0.00 0.00 0.00 51.96 49.97 1x5j s ALA 63 Cb -0.03 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.49 1x5j s ALA 63 CO 0.04 -0.16 -0.01 0.54 0.00 0.00 0.00 175.76 176.17 1x5j s ASN 64 N -3.44 2.93 -0.30 0.00 4.22 -1.26 -3.41 114.94 113.68 1x5j s ASN 64 Ca 0.31 -0.76 -0.08 0.00 -2.14 0.00 0.00 52.86 50.18 1x5j s ASN 64 Cb 0.05 -0.80 0.16 0.00 1.28 0.00 0.00 41.25 41.94 1x5j s ASN 64 CO 0.12 -0.24 0.72 0.00 -2.04 0.00 0.00 177.10 175.66 1x5j s ALA 65 N 1.71 -2.31 -0.81 3.54 0.00 -1.12 -5.05 121.76 117.72 1x5j s ALA 65 Ca -0.01 2.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.81 1x5j s ALA 65 Cb -0.16 -1.98 0.05 0.00 0.00 0.00 0.00 23.12 21.02 1x5j s ALA 65 CO -0.07 -1.08 1.25 0.95 0.00 0.00 0.00 175.76 176.81 1x5j s THR 66 N 2.82 3.96 -0.00 0.00 -4.23 -1.26 -3.76 115.64 113.17 1x5j s THR 66 Ca 0.03 -0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.05 1x5j s THR 66 Cb -0.12 -4.90 0.11 0.00 1.34 0.00 0.00 72.50 68.93 1x5j s THR 66 CO -0.19 -1.78 1.26 0.28 -0.54 0.00 0.00 174.62 173.66 1x5j s THR 67 N 4.99 0.00 -0.34 3.99 -1.32 -1.26 -5.01 115.64 116.69 1x5j s THR 67 Ca 0.35 -0.25 0.04 0.00 -1.21 0.00 0.00 61.69 60.62 1x5j s THR 67 Cb -0.07 -2.15 0.49 0.00 -1.51 0.00 0.00 72.50 69.26 1x5j s THR 67 CO 0.06 0.00 1.62 0.18 -2.21 0.00 0.00 174.62 174.27 1x5j n LEU 68 N -0.55 5.51 -3.66 9.08 4.77 -1.26 -4.90 117.00 125.98 1x5j n LEU 68 Ca -0.07 -2.90 -0.06 0.00 -0.03 0.00 0.00 56.01 52.95 1x5j n LEU 68 Cb 0.62 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1x5j n LEU 68 CO 0.13 0.84 0.66 -0.94 -1.33 0.00 0.00 177.39 176.75 1x5j s SER 69 N -0.63 -0.28 -0.29 -1.43 1.04 -1.26 -2.81 113.70 108.05 1x5j s SER 69 Ca 0.40 -0.26 -0.24 0.00 0.48 0.00 0.00 55.95 56.33 1x5j s SER 69 Cb 0.34 0.49 0.14 0.00 0.10 0.00 0.00 66.02 67.08 1x5j s SER 69 CO 0.08 -0.86 1.10 -0.47 0.98 0.00 0.00 173.24 174.07 1x5j s TYR 70 N -3.33 -0.41 -0.31 5.02 5.04 0.31 -4.97 117.35 118.70 1x5j s TYR 70 Ca 0.09 0.96 -0.03 0.00 -2.44 0.00 0.00 57.07 55.64 1x5j s TYR 70 Cb -0.02 0.38 0.04 0.00 0.35 0.00 0.00 41.96 42.71 1x5j s TYR 70 CO -0.02 -0.20 0.03 -1.17 -1.34 0.00 0.00 175.55 172.85 1x5j s LEU 71 N 0.36 3.99 0.54 6.97 2.96 -1.26 0.10 118.68 132.33 1x5j s LEU 71 Ca 0.02 -1.18 -0.18 0.00 -0.22 0.00 0.00 54.13 52.57 1x5j s LEU 71 Cb -0.05 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 1x5j s LEU 71 CO -0.09 -0.27 1.04 -0.69 -1.32 0.00 0.00 176.35 175.02 1x5j s VAL 72 N 1.31 3.91 -0.21 1.68 1.01 -0.68 -4.94 120.40 122.48 1x5j s VAL 72 Ca -0.04 1.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.76 1x5j s VAL 72 Cb -0.19 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.79 1x5j s VAL 72 CO 0.00 -0.43 0.58 0.42 0.00 0.00 0.00 175.10 175.67 1x5j s THR 73 N -2.29 0.00 0.00 3.92 -4.23 -1.26 -3.09 115.64 108.69 1x5j s THR 73 Ca 0.64 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1x5j s THR 73 Cb -0.15 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1x5j s THR 73 CO 0.29 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 1x5j n GLY 74 N 2.65 1.69 3.92 3.99 0.00 -1.15 -5.07 105.19 111.22 1x5j n GLY 74 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1x5j n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5j s LEU 75 N 0.00 4.22 0.20 0.99 1.43 -1.26 -5.09 118.68 119.16 1x5j s LEU 75 Ca 0.00 0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 52.89 1x5j s LEU 75 Cb 0.00 -2.78 -0.08 0.00 0.03 0.00 0.00 46.19 43.35 1x5j s LEU 75 CO 0.00 0.02 0.86 -0.75 0.23 0.00 0.00 176.35 176.71 1x5j s LYS 76 N -3.44 4.71 0.55 1.70 2.20 -1.26 -4.40 119.74 119.81 1x5j s LYS 76 Ca 0.34 1.32 -0.19 0.00 -0.36 0.00 0.00 55.97 57.08 1x5j s LYS 76 Cb -0.10 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 1x5j s LYS 76 CO 0.28 0.55 1.13 -1.25 -0.36 0.00 0.00 175.35 175.69 1x5j s PRO 77 N -1.17 3.30 -1.32 4.03 0.04 -1.26 -3.73 135.00 134.90 1x5j s PRO 77 Ca 0.38 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 1x5j s PRO 77 Cb -0.25 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1x5j s PRO 77 CO 0.29 -0.89 0.51 -1.71 0.04 0.00 0.00 177.00 175.25 1x5j n ASN 78 N -1.40 -2.19 -3.78 6.66 2.85 -1.15 -4.82 115.26 111.43 1x5j n ASN 78 Ca 0.12 -1.10 -0.13 0.00 -0.11 0.00 0.00 54.58 53.36 1x5j n ASN 78 Cb 0.51 -2.70 -0.11 0.00 1.24 0.00 0.00 39.78 38.71 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1x5j s THR 79 N -3.81 -0.00 0.24 -0.44 2.01 -1.24 -5.03 115.64 107.36 1x5j s THR 79 Ca 0.22 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1x5j s THR 79 Cb -0.10 -0.40 -0.10 0.00 0.01 0.00 0.00 72.50 71.91 1x5j s THR 79 CO 0.91 0.00 1.50 -0.22 -0.69 0.00 0.00 174.62 176.12 1x5j s LEU 80 N 0.16 4.37 -0.15 4.42 1.98 -1.26 -4.14 118.68 124.06 1x5j s LEU 80 Ca -0.00 2.71 -0.14 0.00 -2.89 0.00 0.00 54.13 53.81 1x5j s LEU 80 Cb -0.02 -3.62 0.04 0.00 0.66 0.00 0.00 46.19 43.25 1x5j s LEU 80 CO 0.00 -0.77 0.41 -0.31 -1.89 0.00 0.00 176.35 173.79 1x5j s TYR 81 N 0.26 -0.45 0.31 5.38 2.02 -1.22 -3.95 117.35 119.70 1x5j s TYR 81 Ca 0.63 1.09 0.10 0.00 -0.37 0.00 0.00 57.07 58.51 1x5j s TYR 81 Cb -0.43 0.16 -0.06 0.00 -0.40 0.00 0.00 41.96 41.22 1x5j s TYR 81 CO 0.41 -0.22 -0.13 -1.83 -1.57 0.00 0.00 175.55 172.21 1x5j s GLU 82 N 0.17 1.73 -0.02 -0.62 4.04 -1.18 -0.29 118.70 122.55 1x5j s GLU 82 Ca -0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 54.97 53.12 1x5j s GLU 82 Cb -0.03 -1.67 0.00 0.00 0.02 0.00 0.00 34.13 32.46 1x5j s GLU 82 CO 0.01 0.20 0.07 -0.06 -1.84 0.00 0.00 175.26 173.64 1x5j s PHE 83 N -2.62 -0.01 0.08 4.83 0.40 0.15 -3.82 117.98 116.99 1x5j s PHE 83 Ca 0.31 0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1x5j s PHE 83 Cb -0.00 -0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.47 1x5j s PHE 83 CO 0.15 -0.11 0.03 0.45 0.70 0.00 0.00 175.22 176.45 1x5j s SER 84 N -0.47 0.38 0.02 1.36 0.15 -1.15 -0.48 113.70 113.51 1x5j s SER 84 Ca -0.05 -0.99 0.03 0.00 0.70 0.00 0.00 55.95 55.63 1x5j s SER 84 Cb -0.03 0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 1x5j s SER 84 CO 0.00 -0.66 -0.08 -0.69 1.20 0.00 0.00 173.24 173.01 1x5j s VAL 85 N -3.94 0.64 0.13 4.45 1.01 -1.26 -3.15 120.40 118.28 1x5j s VAL 85 Ca 0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1x5j s VAL 85 Cb 0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1x5j s VAL 85 CO -0.07 -0.06 0.14 0.00 0.00 0.00 0.00 175.10 175.11 1x5j s MET 86 N -0.83 0.95 0.03 2.72 0.23 -0.99 -2.86 119.30 118.55 1x5j s MET 86 Ca -0.02 -1.27 0.05 0.00 -1.03 0.00 0.00 55.69 53.43 1x5j s MET 86 Cb -0.06 0.29 -0.02 0.00 -1.53 0.00 0.00 34.83 33.51 1x5j s MET 86 CO 0.00 -0.30 -0.15 0.54 -2.03 0.00 0.00 175.02 173.08 1x5j s VAL 87 N -3.98 1.22 -0.09 5.16 0.11 -1.26 -2.53 120.40 119.03 1x5j s VAL 87 Ca 0.17 -0.99 -0.02 0.00 -2.93 0.00 0.00 61.98 58.22 1x5j s VAL 87 Cb 0.06 -1.09 0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1x5j s VAL 87 CO -0.02 0.08 0.00 -0.89 -3.33 0.00 0.00 175.10 170.95 1x5j s THR 88 N -0.78 0.42 -0.94 5.04 2.01 -1.17 -1.24 115.64 118.98 1x5j s THR 88 Ca 0.03 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1x5j s THR 88 Cb -0.08 -0.62 0.33 0.00 0.01 0.00 0.00 72.50 72.15 1x5j s THR 88 CO 0.01 0.20 1.87 0.29 -0.69 0.00 0.00 174.62 176.30 1x5j n LYS 89 N 5.13 4.36 0.00 4.92 4.76 0.26 -3.55 118.16 134.04 1x5j n LYS 89 Ca -0.08 -4.24 0.00 0.00 -2.87 0.00 0.00 58.31 51.12 1x5j n LYS 89 Cb 0.50 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 1x5j n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5j n GLY 90 N -0.25 1.97 0.10 0.72 0.00 -1.26 -3.45 105.19 103.02 1x5j n GLY 90 Ca 0.49 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.46 1x5j n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5j n ARG 91 N 0.00 0.60 -3.99 1.61 1.74 -1.26 -4.92 116.66 110.44 1x5j n ARG 91 Ca 0.00 0.08 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 1x5j n ARG 91 Cb 0.00 -1.79 -0.02 0.00 -1.02 0.00 0.00 32.46 29.63 1x5j n ARG 91 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x5j s ARG 92 N -3.37 3.37 0.07 5.56 0.52 -1.22 -5.12 118.95 118.74 1x5j s ARG 92 Ca -0.01 -0.79 -0.26 0.00 -0.52 0.00 0.00 55.73 54.14 1x5j s ARG 92 Cb 0.10 -2.85 0.08 0.00 0.52 0.00 0.00 34.95 32.81 1x5j s ARG 92 CO 0.80 0.43 0.71 -1.12 0.02 0.00 0.00 175.30 176.15 1x5j s SER 93 N -3.92 -0.52 0.12 0.23 0.01 -1.26 -0.57 113.70 107.79 1x5j s SER 93 Ca 0.34 0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.79 1x5j s SER 93 Cb -0.09 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 1x5j s SER 93 CO 0.28 -0.79 -0.04 -0.94 0.41 0.00 0.00 173.24 172.17 1x5j s SER 94 N -2.35 4.73 1.27 2.44 1.04 -0.37 -1.77 113.70 118.69 1x5j s SER 94 Ca 0.00 -0.31 -0.16 0.00 0.48 0.00 0.00 55.95 55.96 1x5j s SER 94 Cb -0.01 -1.02 0.32 0.00 0.10 0.00 0.00 66.02 65.41 1x5j s SER 94 CO -0.08 0.15 0.99 0.28 0.98 0.00 0.00 173.24 175.56 1x5j s THR 95 N -1.38 1.73 -0.23 2.02 -1.32 -1.26 -4.40 115.64 110.79 1x5j s THR 95 Ca 0.25 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.44 1x5j s THR 95 Cb -0.11 -2.06 0.01 0.00 -1.51 0.00 0.00 72.50 68.83 1x5j s THR 95 CO 0.17 0.00 1.08 0.26 -2.21 0.00 0.00 174.62 173.92 1x5j s TRP 96 N -2.38 3.24 1.12 9.09 0.52 -1.26 -4.57 118.94 124.70 1x5j s TRP 96 Ca 0.69 1.37 -0.14 0.00 0.02 0.00 0.00 56.10 58.03 1x5j s TRP 96 Cb -0.21 -3.36 0.20 0.00 -1.15 0.00 0.00 33.47 28.95 1x5j s TRP 96 CO 0.63 -0.70 0.68 -1.13 0.02 0.00 0.00 176.95 176.45 1x5j n SER 97 N 6.44 -1.74 -4.71 2.95 3.41 -1.14 -4.76 113.62 114.07 1x5j n SER 97 Ca 0.12 -0.05 -0.59 0.00 -0.26 0.00 0.00 58.87 58.09 1x5j n SER 97 Cb 0.46 -1.19 -0.08 0.00 -0.26 0.00 0.00 64.21 63.14 1x5j n SER 97 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1x5j n MET 98 N -3.76 0.93 -1.72 4.33 0.00 -1.26 -4.70 117.12 110.94 1x5j n MET 98 Ca 0.04 0.34 -0.42 0.00 0.00 0.00 0.00 57.70 57.65 1x5j n MET 98 Cb 0.56 -1.99 -0.03 0.00 0.00 0.00 0.00 33.22 31.76 1x5j n MET 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1x5j s THR 99 N 3.35 3.12 -0.29 3.17 2.01 -1.26 -4.83 115.64 120.90 1x5j s THR 99 Ca 0.99 0.14 -0.21 0.00 0.31 0.00 0.00 61.69 62.92 1x5j s THR 99 Cb -1.15 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 1x5j s THR 99 CO 0.68 -0.03 0.66 0.00 -0.69 0.00 0.00 174.62 175.24 1x5j s ALA 100 N 5.40 3.56 -0.01 7.40 0.00 0.37 -4.85 121.76 133.62 1x5j s ALA 100 Ca 0.89 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1x5j s ALA 100 Cb -0.38 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1x5j s ALA 100 CO 0.38 -1.00 0.45 -1.01 0.00 0.00 0.00 175.76 174.58 1x5j s HIS 101 N 2.63 3.70 -0.15 0.00 3.76 -1.26 0.30 115.29 124.27 1x5j s HIS 101 Ca 0.27 1.02 -0.07 0.00 -0.15 0.00 0.00 55.06 56.13 1x5j s HIS 101 Cb -0.15 -2.38 0.06 0.00 1.11 0.00 0.00 32.58 31.22 1x5j s HIS 101 CO 0.11 0.54 0.34 0.20 -0.85 0.00 0.00 174.74 175.07 1x5j s GLY 102 N -0.74 -0.24 -0.29 -2.22 0.00 0.61 -4.90 107.32 99.53 1x5j s GLY 102 Ca 0.25 1.27 -0.16 0.00 0.00 0.00 0.00 44.72 46.08 1x5j s GLY 102 CO 0.14 1.66 0.41 -1.59 0.00 0.00 0.00 173.10 173.71 1x5j s THR 103 N 1.63 5.14 0.62 0.90 2.01 -1.26 -3.40 115.64 121.28 1x5j s THR 103 Ca -0.07 0.47 -0.13 0.00 0.31 0.00 0.00 61.69 62.27 1x5j s THR 103 Cb -0.10 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1x5j s THR 103 CO -0.11 0.05 1.04 0.42 -0.69 0.00 0.00 174.62 175.33 1x5j s THR 104 N 2.13 4.24 0.61 -0.82 -4.23 -1.26 -4.95 115.64 111.37 1x5j s THR 104 Ca 0.16 0.85 -0.17 0.00 -1.18 0.00 0.00 61.69 61.35 1x5j s THR 104 Cb -0.16 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 1x5j s THR 104 CO 0.11 -0.83 1.13 -0.36 -0.54 0.00 0.00 174.62 174.13 1x5j s PHE 105 N -2.88 2.58 0.42 3.99 0.08 -1.26 -3.20 117.98 117.70 1x5j s PHE 105 Ca 0.59 1.55 -0.23 0.00 0.12 0.00 0.00 56.93 58.95 1x5j s PHE 105 Cb -0.13 -3.27 -0.09 0.00 -0.57 0.00 0.00 43.02 38.97 1x5j s PHE 105 CO 0.47 -1.76 1.04 -1.83 -0.10 0.00 0.00 175.22 173.04 1x5j s GLU 106 N -3.70 4.11 -0.25 0.44 1.03 -1.26 -2.92 118.70 116.14 1x5j s GLU 106 Ca 0.71 1.46 -0.07 0.00 0.03 0.00 0.00 54.97 57.09 1x5j s GLU 106 Cb -0.23 -2.44 -0.16 0.00 -0.80 0.00 0.00 34.13 30.50 1x5j s GLU 106 CO 0.35 -0.18 -0.19 1.28 -1.33 0.00 0.00 175.26 175.19 1x5j n LEU 107 N -0.26 2.44 -0.09 1.83 4.77 -1.26 -4.52 117.00 119.91 1x5j n LEU 107 Ca 0.06 0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 56.11 1x5j n LEU 107 Cb 0.50 -0.90 -0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1x5j n LEU 107 CO 0.43 0.73 0.70 -1.28 -1.33 0.00 0.00 177.39 176.65 1x5j h SER 108 N -0.48 -0.76 -3.75 -1.43 0.87 -1.97 -3.48 113.55 102.56 1x5j h SER 108 Ca -0.60 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1x5j h SER 108 Cb 1.75 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 64.09 1x5j h SER 108 CO -0.22 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 176.43 1x5j n GLY 109 N -1.38 1.65 3.56 5.77 0.00 -1.26 -5.05 105.19 108.49 1x5j n GLY 109 Ca 0.01 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 1x5j n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5j s PRO 110 N -1.38 2.85 -0.09 1.61 0.04 -1.26 -4.87 135.00 131.90 1x5j s PRO 110 Ca 0.00 0.81 -0.10 0.00 0.04 0.00 0.00 61.00 61.75 1x5j s PRO 110 Cb 0.00 -4.32 -0.08 0.00 0.04 0.00 0.00 34.50 30.14 1x5j s PRO 110 CO 0.00 -2.46 0.34 0.77 0.04 0.00 0.00 177.00 175.69 1x5j h SER 111 N 14.21 -0.10 -2.67 6.66 0.02 -2.03 -3.46 113.55 126.17 1x5j h SER 111 Ca -0.28 -0.20 -0.57 0.00 -0.84 0.00 0.00 61.79 59.90 1x5j h SER 111 Cb 1.16 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 1x5j h SER 111 CO 1.17 0.47 -0.56 -0.44 -1.14 0.00 0.00 176.83 176.33 1x5j s SER 112 N -5.54 5.56 0.00 3.07 0.01 -1.26 -5.32 113.70 110.21 1x5j s SER 112 Ca -0.06 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1x5j s SER 112 Cb -0.00 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.77 1x5j s SER 112 CO 0.21 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.53