#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 -0.57 -0.25 1.61 0.01 -1.26 -5.17 113.70 108.07 1x5j s SER 2 Ca 0.00 0.71 -0.26 0.00 1.31 0.00 0.00 55.95 57.71 1x5j s SER 2 Cb 0.00 0.65 0.08 0.00 0.21 0.00 0.00 66.02 66.96 1x5j s SER 2 CO 0.00 -0.50 0.77 -0.44 0.41 0.00 0.00 173.24 173.48 1x5j s SER 3 N -0.90 -0.69 -1.14 2.44 0.01 -1.26 -5.07 113.70 107.09 1x5j s SER 3 Ca -0.09 1.28 -0.03 0.00 1.31 0.00 0.00 55.95 58.42 1x5j s SER 3 Cb -0.02 1.28 0.25 0.00 0.21 0.00 0.00 66.02 67.73 1x5j s SER 3 CO 0.07 -0.27 2.01 0.61 0.41 0.00 0.00 173.24 176.07 1x5j n GLY 4 N 2.42 5.77 2.99 3.44 0.00 -1.26 -4.87 105.19 113.68 1x5j n GLY 4 Ca -0.14 -2.39 -0.11 0.00 0.00 0.00 0.00 46.02 43.37 1x5j n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5j s SER 5 N -0.72 0.32 -0.31 1.61 1.04 -1.26 -5.11 113.70 109.27 1x5j s SER 5 Ca 0.44 0.42 -0.43 0.00 0.48 0.00 0.00 55.95 56.85 1x5j s SER 5 Cb 0.18 0.97 -0.20 0.00 0.10 0.00 0.00 66.02 67.07 1x5j s SER 5 CO -0.11 -0.27 1.37 -1.20 0.98 0.00 0.00 173.24 174.01 1x5j n SER 6 N 5.36 0.74 0.00 7.02 7.64 -1.26 -4.93 113.62 128.19 1x5j n SER 6 Ca -0.06 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1x5j n SER 6 Cb 0.50 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 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 3.00 6.18 3.61 0.23 0.00 -1.26 -5.14 105.19 111.81 1x5j n GLY 7 Ca 0.26 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 1.61 -0.88 0.75 1.61 0.04 -1.26 -4.96 135.00 131.92 1x5j s PRO 8 Ca 0.00 0.06 -0.17 0.00 0.04 0.00 0.00 61.00 60.93 1x5j s PRO 8 Cb 0.00 -1.63 -0.12 0.00 0.04 0.00 0.00 34.50 32.80 1x5j s PRO 8 CO 0.00 -3.51 -0.20 -1.33 0.04 0.00 0.00 177.00 172.00 1x5j n MET 9 N -4.64 0.05 -2.42 4.56 2.81 -1.26 -4.82 117.12 111.41 1x5j n MET 9 Ca 0.11 0.03 -0.43 0.00 -1.81 0.00 0.00 57.70 55.60 1x5j n MET 9 Cb 0.59 -1.23 -0.02 0.00 -0.71 0.00 0.00 33.22 31.85 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 -1.88 3.96 0.89 0.03 1.00 -1.26 -4.58 119.30 117.46 1x5j s MET 10 Ca 0.53 1.31 -0.11 0.00 0.00 0.00 0.00 55.69 57.41 1x5j s MET 10 Cb -0.34 -3.86 0.12 0.00 0.00 0.00 0.00 34.83 30.75 1x5j s MET 10 CO 0.70 -1.06 1.09 -1.25 0.00 0.00 0.00 175.02 174.50 1x5j s PRO 11 N 4.08 1.34 -0.11 2.03 0.04 -1.26 -4.66 135.00 136.45 1x5j s PRO 11 Ca 0.56 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 1x5j s PRO 11 Cb -0.17 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1x5j s PRO 11 CO 0.22 -2.19 1.54 -1.25 0.04 0.00 0.00 177.00 175.35 1x5j s PRO 12 N -4.93 4.13 0.63 0.56 0.04 -1.26 -4.63 135.00 129.54 1x5j s PRO 12 Ca 0.63 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.67 1x5j s PRO 12 Cb -0.18 -3.93 0.12 0.00 0.04 0.00 0.00 34.50 30.55 1x5j s PRO 12 CO 0.57 -0.88 0.87 1.33 0.04 0.00 0.00 177.00 178.93 1x5j n VAL 13 N 5.60 0.00 -3.02 -0.36 0.24 0.48 -4.49 118.33 116.77 1x5j n VAL 13 Ca 0.17 -1.69 -0.19 0.00 -2.04 0.00 0.00 64.34 60.58 1x5j n VAL 13 Cb 0.44 -0.72 -0.00 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.10 -0.49 3.66 7.63 0.00 -1.26 -0.63 105.19 111.99 1x5j n GLY 14 Ca 0.16 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.83 4.20 0.28 1.61 1.01 -1.26 -4.36 120.40 119.06 1x5j s VAL 15 Ca 0.25 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.71 1x5j s VAL 15 Cb -0.13 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1x5j s VAL 15 CO 0.31 -0.18 0.18 -1.10 0.00 0.00 0.00 175.10 174.32 1x5j s GLN 16 N 3.65 1.54 0.05 2.72 -1.52 -0.95 -4.73 119.66 120.41 1x5j s GLN 16 Ca 0.57 -1.87 0.08 0.00 -1.95 0.00 0.00 55.36 52.19 1x5j s GLN 16 Cb -0.22 0.11 -0.03 0.00 -0.22 0.00 0.00 33.01 32.66 1x5j s GLN 16 CO 0.17 -0.49 -0.22 0.00 -0.25 0.00 0.00 175.29 174.50 1x5j s ALA 17 N -3.71 1.86 -0.33 6.09 0.00 -1.26 -3.03 121.76 121.38 1x5j s ALA 17 Ca 0.38 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1x5j s ALA 17 Cb 0.05 -0.36 0.10 0.00 0.00 0.00 0.00 23.12 22.91 1x5j s ALA 17 CO 0.19 0.42 0.05 0.45 0.00 0.00 0.00 175.76 176.87 1x5j s SER 18 N -1.27 4.67 -0.36 0.00 0.15 -0.72 -4.92 113.70 111.25 1x5j s SER 18 Ca 0.08 -2.07 -0.28 0.00 0.70 0.00 0.00 55.95 54.38 1x5j s SER 18 Cb -0.09 -1.54 -0.02 0.00 -1.71 0.00 0.00 66.02 62.66 1x5j s SER 18 CO 0.02 -0.38 1.88 -0.63 1.20 0.00 0.00 173.24 175.33 1x5j s ILE 19 N 0.99 3.39 -0.17 6.45 -1.09 -1.26 -1.82 121.20 127.69 1x5j s ILE 19 Ca 0.10 0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.93 1x5j s ILE 19 Cb -0.19 -3.58 -0.13 0.00 -1.58 0.00 0.00 42.46 36.98 1x5j s ILE 19 CO -0.10 -0.41 -0.12 0.18 -1.23 0.00 0.00 174.94 173.26 1x5j n LEU 20 N 10.96 2.48 -4.08 2.97 4.77 -0.67 -5.03 117.00 128.40 1x5j n LEU 20 Ca 0.24 -0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 1x5j n LEU 20 Cb 0.47 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1x5j n LEU 20 CO 0.69 0.72 0.05 -0.55 -1.33 0.00 0.00 177.39 176.96 1x5j s SER 21 N -5.55 0.18 0.57 -1.43 0.15 -0.88 -4.95 113.70 101.78 1x5j s SER 21 Ca -0.21 -1.17 0.27 0.00 0.70 0.00 0.00 55.95 55.54 1x5j s SER 21 Cb 0.06 0.54 1.52 0.00 -1.71 0.00 0.00 66.02 66.43 1x5j s SER 21 CO 0.44 -1.08 2.03 1.12 1.20 0.00 0.00 173.24 176.95 1x5j h HIS 22 N 2.34 0.00 -0.24 3.44 2.07 -1.91 -2.29 115.15 118.56 1x5j h HIS 22 Ca -0.29 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.01 1x5j h HIS 22 Cb 1.25 0.00 -0.35 0.00 2.57 0.00 0.00 27.41 30.88 1x5j h HIS 22 CO 0.59 0.00 -0.97 -0.25 -3.07 0.00 0.00 177.93 174.23 1x5j n ASP 23 N -4.01 1.76 -3.72 3.10 8.00 -1.26 -3.87 116.55 116.55 1x5j n ASP 23 Ca 0.05 -2.47 -0.18 0.00 0.71 0.00 0.00 54.79 52.90 1x5j n ASP 23 Cb 0.47 -0.40 -0.17 0.00 -0.02 0.00 0.00 41.12 41.00 1x5j n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x5j s THR 24 N -2.32 -0.05 -0.06 -3.53 2.01 -0.86 -3.71 115.64 107.12 1x5j s THR 24 Ca 0.34 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.61 1x5j s THR 24 Cb 0.37 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 72.75 1x5j s THR 24 CO -0.09 0.14 0.15 -0.63 -0.69 0.00 0.00 174.62 173.50 1x5j s ILE 25 N 1.65 -0.01 -0.41 1.82 1.01 -1.03 -1.67 121.20 122.56 1x5j s ILE 25 Ca -0.02 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 1x5j s ILE 25 Cb -0.13 -0.22 0.04 0.00 0.01 0.00 0.00 42.46 42.16 1x5j s ILE 25 CO -0.03 0.02 0.28 -0.60 0.00 0.00 0.00 174.94 174.61 1x5j s ARG 26 N 0.40 2.87 -0.54 2.79 3.52 -0.76 -0.44 118.95 126.79 1x5j s ARG 26 Ca -0.03 -1.15 -0.20 0.00 -0.13 0.00 0.00 55.73 54.23 1x5j s ARG 26 Cb -0.04 -3.89 0.07 0.00 -1.56 0.00 0.00 34.95 29.53 1x5j s ARG 26 CO -0.02 -0.80 0.69 0.42 -0.81 0.00 0.00 175.30 174.78 1x5j s ILE 27 N 1.60 4.79 0.08 4.11 -1.09 0.39 -1.76 121.20 129.32 1x5j s ILE 27 Ca 0.03 -0.53 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 1x5j s ILE 27 Cb -0.20 -4.38 -0.04 0.00 -1.58 0.00 0.00 42.46 36.25 1x5j s ILE 27 CO 0.07 -0.94 -0.01 0.42 -1.23 0.00 0.00 174.94 173.26 1x5j s THR 28 N 2.84 4.00 0.33 2.92 -4.23 -1.17 -0.55 115.64 119.77 1x5j s THR 28 Ca 0.16 -0.95 -0.07 0.00 -1.18 0.00 0.00 61.69 59.65 1x5j s THR 28 Cb -0.20 -2.89 0.01 0.00 1.34 0.00 0.00 72.50 70.77 1x5j s THR 28 CO 0.11 0.16 0.52 -1.66 -0.54 0.00 0.00 174.62 173.21 1x5j s TRP 29 N -1.27 0.75 -0.03 3.99 -2.14 -1.17 -2.25 118.94 116.82 1x5j s TRP 29 Ca 0.25 -1.09 0.01 0.00 2.66 0.00 0.00 56.10 57.93 1x5j s TRP 29 Cb -0.12 0.12 0.02 0.00 -3.10 0.00 0.00 33.47 30.39 1x5j s TRP 29 CO 0.17 -1.17 -0.02 0.00 -2.66 0.00 0.00 176.95 173.28 1x5j s ALA 30 N -3.17 0.41 -0.14 2.67 0.00 0.20 -4.74 121.76 116.99 1x5j s ALA 30 Ca 0.26 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 1x5j s ALA 30 Cb -0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1x5j s ALA 30 CO 0.16 -0.03 0.16 0.34 0.00 0.00 0.00 175.76 176.39 1x5j s ASP 31 N 0.85 6.36 -0.14 0.00 2.15 -1.26 -0.39 116.67 124.24 1x5j s ASP 31 Ca -0.09 0.43 0.06 0.00 0.43 0.00 0.00 52.55 53.38 1x5j s ASP 31 Cb -0.12 -2.10 -0.23 0.00 -0.30 0.00 0.00 42.92 40.17 1x5j s ASP 31 CO -0.01 0.31 0.29 0.59 -0.17 0.00 0.00 175.17 176.19 1x5j n ASN 32 N 2.56 1.28 -0.31 -0.34 4.13 -1.26 -4.35 115.26 116.97 1x5j n ASN 32 Ca -0.18 0.17 0.05 0.00 1.68 0.00 0.00 54.58 56.30 1x5j n ASN 32 Cb 0.54 -0.16 0.14 0.00 -1.54 0.00 0.00 39.78 38.76 1x5j n ASN 32 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1x5j h SER 33 N 0.02 -0.74 -3.10 6.41 0.87 -1.92 -3.41 113.55 111.68 1x5j h SER 33 Ca -0.43 0.26 -0.56 0.00 -1.23 0.00 0.00 61.79 59.82 1x5j h SER 33 Cb 2.05 0.52 0.19 0.00 -0.44 0.00 0.00 62.40 64.72 1x5j h SER 33 CO 0.04 -0.29 -0.49 0.18 -0.53 0.00 0.00 176.83 175.74 1x5j n LEU 34 N -5.54 0.32 0.00 2.23 4.77 -1.26 -4.99 117.00 112.53 1x5j n LEU 34 Ca 0.14 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1x5j n LEU 34 Cb 0.48 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1x5j n LEU 34 CO -0.06 -3.32 0.00 -0.81 -1.33 0.00 0.00 177.39 171.88 1x5j n PRO 35 N -0.50 -0.11 -0.22 3.23 -0.04 -1.26 -4.89 135.00 131.21 1x5j n PRO 35 Ca 0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1x5j n PRO 35 Cb 0.50 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.06 1x5j n PRO 35 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1x5j h LYS 36 N 0.00 0.07 -7.19 0.54 3.64 -1.94 -3.41 116.57 108.29 1x5j h LYS 36 Ca 0.00 -0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.88 1x5j h LYS 36 Cb 0.00 -0.02 0.07 0.00 -0.41 0.00 0.00 32.23 31.87 1x5j h LYS 36 CO 0.00 0.05 0.38 -3.38 -2.27 0.00 0.00 179.45 174.23 1x5j s HIS 37 N -6.17 2.93 -0.04 1.91 -3.43 -1.26 -4.99 115.29 104.24 1x5j s HIS 37 Ca -0.14 1.52 -0.06 0.00 -0.80 0.00 0.00 55.06 55.59 1x5j s HIS 37 Cb 0.20 -3.04 -0.28 0.00 -1.43 0.00 0.00 32.58 28.02 1x5j s HIS 37 CO 0.74 -1.20 0.69 0.37 -2.00 0.00 0.00 174.74 173.34 1x5j h GLN 38 N 0.46 0.29 -4.66 -0.38 5.75 -1.97 -3.47 115.11 111.13 1x5j h GLN 38 Ca -0.47 -0.50 -0.50 0.00 -0.15 0.00 0.00 58.65 57.03 1x5j h GLN 38 Cb 1.23 0.19 0.10 0.00 1.07 0.00 0.00 27.48 30.07 1x5j h GLN 38 CO 0.57 1.17 -0.58 1.63 -2.65 0.00 0.00 178.83 178.97 1x5j n LYS 39 N -3.48 0.00 -3.11 1.69 4.76 -1.26 -4.81 118.16 111.95 1x5j n LYS 39 Ca -0.22 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.77 1x5j n LYS 39 Cb 1.06 -0.78 -0.01 0.00 -1.84 0.00 0.00 35.03 33.47 1x5j n LYS 39 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1x5j s ILE 40 N -1.05 5.35 -0.13 -0.18 1.01 -1.26 -4.86 121.20 120.08 1x5j s ILE 40 Ca 0.48 -2.70 -0.00 0.00 0.00 0.00 0.00 60.65 58.42 1x5j s ILE 40 Cb -0.61 -4.75 0.10 0.00 0.01 0.00 0.00 42.46 37.21 1x5j s ILE 40 CO 0.46 -1.41 1.94 0.35 0.00 0.00 0.00 174.94 176.28 1x5j n THR 41 N 4.09 2.26 -4.21 2.92 -2.24 -1.26 -4.83 114.28 111.00 1x5j n THR 41 Ca 0.28 -0.94 -0.13 0.00 -2.27 0.00 0.00 64.05 60.99 1x5j n THR 41 Cb 0.43 -1.38 -0.10 0.00 -2.10 0.00 0.00 70.33 67.18 1x5j n THR 41 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1x5j s ASP 42 N 1.16 0.41 -0.81 3.42 1.47 -1.26 -5.11 116.67 115.95 1x5j s ASP 42 Ca 0.13 -1.45 -0.03 0.00 1.18 0.00 0.00 52.55 52.39 1x5j s ASP 42 Cb 0.10 0.41 0.20 0.00 -0.34 0.00 0.00 42.92 43.30 1x5j s ASP 42 CO 0.00 -0.89 0.68 -0.44 0.68 0.00 0.00 175.17 175.21 1x5j s SER 43 N -3.19 5.81 0.32 2.11 0.01 -1.26 -5.04 113.70 112.46 1x5j s SER 43 Ca 0.39 -3.43 0.03 0.00 1.31 0.00 0.00 55.95 54.25 1x5j s SER 43 Cb 0.06 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 1x5j s SER 43 CO 0.15 -0.25 0.13 0.00 0.41 0.00 0.00 173.24 173.67 1x5j s ARG 44 N -0.92 1.65 -0.02 12.44 1.70 -1.26 -4.94 118.95 127.60 1x5j s ARG 44 Ca 0.24 -1.95 -0.01 0.00 -0.47 0.00 0.00 55.73 53.54 1x5j s ARG 44 Cb -0.11 -0.37 0.01 0.00 -0.57 0.00 0.00 34.95 33.91 1x5j s ARG 44 CO -0.10 -0.39 0.05 1.52 -1.08 0.00 0.00 175.30 175.30 1x5j s TYR 45 N -3.49 -0.04 0.31 5.89 1.13 -1.25 -4.85 117.35 115.05 1x5j s TYR 45 Ca 0.33 0.14 0.01 0.00 -1.41 0.00 0.00 57.07 56.14 1x5j s TYR 45 Cb 0.05 -0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.86 1x5j s TYR 45 CO 0.16 -0.04 0.50 0.71 -2.51 0.00 0.00 175.55 174.37 1x5j s TYR 46 N 0.23 3.49 -0.18 -3.49 2.02 -1.25 -3.29 117.35 114.88 1x5j s TYR 46 Ca -0.02 0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 56.96 1x5j s TYR 46 Cb -0.03 -1.86 0.06 0.00 -0.40 0.00 0.00 41.96 39.73 1x5j s TYR 46 CO -0.01 0.20 0.07 0.99 -1.57 0.00 0.00 175.55 175.24 1x5j s THR 47 N -2.20 0.09 -0.29 -0.71 2.01 -0.91 -3.69 115.64 109.94 1x5j s THR 47 Ca 0.39 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.96 1x5j s THR 47 Cb -0.10 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1x5j s THR 47 CO 0.34 -0.27 0.30 -0.69 -0.69 0.00 0.00 174.62 173.61 1x5j s VAL 48 N 2.05 5.23 0.28 3.82 1.01 -1.26 -3.00 120.40 128.54 1x5j s VAL 48 Ca 0.01 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.37 1x5j s VAL 48 Cb -0.16 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1x5j s VAL 48 CO -0.09 0.14 0.21 0.00 0.00 0.00 0.00 175.10 175.36 1x5j s ARG 49 N 1.94 2.79 -0.17 2.72 1.70 -0.83 -1.35 118.95 125.74 1x5j s ARG 49 Ca 0.11 -1.18 -0.29 0.00 -0.47 0.00 0.00 55.73 53.89 1x5j s ARG 49 Cb -0.16 -2.49 0.12 0.00 -0.57 0.00 0.00 34.95 31.85 1x5j s ARG 49 CO 0.11 0.29 0.96 1.67 -1.08 0.00 0.00 175.30 177.24 1x5j s TRP 50 N -2.22 -0.42 0.34 5.89 -2.14 -1.23 -2.73 118.94 116.43 1x5j s TRP 50 Ca 0.36 0.78 0.07 0.00 2.66 0.00 0.00 56.10 59.97 1x5j s TRP 50 Cb -0.07 0.43 -0.03 0.00 -3.10 0.00 0.00 33.47 30.70 1x5j s TRP 50 CO 0.25 -0.36 0.27 0.36 -2.66 0.00 0.00 176.95 174.81 1x5j n LYS 51 N 0.99 0.43 -5.24 3.25 2.85 -1.23 -2.70 118.16 116.50 1x5j n LYS 51 Ca -0.12 -3.35 -0.31 0.00 -1.05 0.00 0.00 58.31 53.47 1x5j n LYS 51 Cb 0.57 2.65 -0.16 0.00 -0.65 0.00 0.00 35.03 37.44 1x5j n LYS 51 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1x5j s THR 52 N -3.33 2.19 0.46 0.58 -4.23 -1.26 -2.71 115.64 107.34 1x5j s THR 52 Ca 0.38 -1.04 0.16 0.00 -1.18 0.00 0.00 61.69 60.00 1x5j s THR 52 Cb 0.02 -1.78 0.20 0.00 1.34 0.00 0.00 72.50 72.28 1x5j s THR 52 CO 0.27 0.58 2.02 -1.13 -0.54 0.00 0.00 174.62 175.82 1x5j h ASN 53 N 5.71 0.00 -3.50 3.99 -0.00 -1.90 -3.37 115.58 116.50 1x5j h ASN 53 Ca -0.39 0.00 -0.54 0.00 -0.00 0.00 0.00 56.30 55.38 1x5j h ASN 53 Cb 1.15 0.00 -0.33 0.00 -0.00 0.00 0.00 38.32 39.14 1x5j h ASN 53 CO 0.48 0.15 -0.82 -0.63 -0.00 0.00 0.00 177.43 176.60 1x5j s ILE 54 N -4.68 1.26 0.00 2.57 -1.09 -1.26 -3.82 121.20 114.19 1x5j s ILE 54 Ca -0.04 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 1x5j s ILE 54 Cb 0.16 -1.13 0.00 0.00 -1.58 0.00 0.00 42.46 39.91 1x5j s ILE 54 CO 0.68 0.38 0.00 -0.81 -1.23 0.00 0.00 174.94 173.96 1x5j n PRO 55 N 3.66 0.40 -0.50 2.79 -0.04 -1.26 -5.03 135.00 135.02 1x5j n PRO 55 Ca -0.22 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 1x5j n PRO 55 Cb 0.52 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.11 1x5j n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5j n ALA 56 N -3.00 -2.26 -0.81 0.55 0.00 -1.25 -4.27 120.51 109.48 1x5j n ALA 56 Ca 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 53.44 52.61 1x5j n ALA 56 Cb 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 1x5j n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1x5j n ASN 57 N -0.91 -0.29 -4.90 0.00 4.13 -1.26 -4.83 115.26 107.20 1x5j n ASN 57 Ca 0.06 -0.09 -0.29 0.00 1.68 0.00 0.00 54.58 55.95 1x5j n ASN 57 Cb 0.26 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 38.07 1x5j n ASN 57 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1x5j s THR 58 N 2.56 4.97 0.44 3.41 2.01 -1.26 -5.02 115.64 122.75 1x5j s THR 58 Ca 0.72 0.15 -0.21 0.00 0.31 0.00 0.00 61.69 62.66 1x5j s THR 58 Cb -0.57 -3.75 -0.14 0.00 0.01 0.00 0.00 72.50 68.05 1x5j s THR 58 CO 0.28 -0.41 0.25 2.29 -0.69 0.00 0.00 174.62 176.34 1x5j n LYS 59 N -1.14 0.23 -3.62 4.92 2.85 -1.26 -4.77 118.16 115.36 1x5j n LYS 59 Ca -0.01 0.08 -0.38 0.00 -1.05 0.00 0.00 58.31 56.96 1x5j n LYS 59 Cb 0.54 -1.23 -0.06 0.00 -0.65 0.00 0.00 35.03 33.63 1x5j n LYS 59 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1x5j s TYR 60 N -1.66 3.68 0.54 5.58 1.51 -1.26 -4.76 117.35 120.98 1x5j s TYR 60 Ca 0.61 0.84 0.08 0.00 -1.01 0.00 0.00 57.07 57.59 1x5j s TYR 60 Cb -0.59 -2.17 0.05 0.00 -0.11 0.00 0.00 41.96 39.14 1x5j s TYR 60 CO 0.61 0.67 0.57 0.15 -1.11 0.00 0.00 175.55 176.44 1x5j s LYS 61 N -1.10 2.33 0.14 -0.62 1.02 -1.10 -4.97 119.74 115.44 1x5j s LYS 61 Ca 0.21 -1.78 -0.16 0.00 0.02 0.00 0.00 55.97 54.27 1x5j s LYS 61 Cb -0.15 -2.39 0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1x5j s LYS 61 CO 0.11 -0.66 0.42 0.54 -0.92 0.00 0.00 175.35 174.83 1x5j s ASN 62 N -4.43 -0.22 0.40 2.83 2.20 -1.26 -3.47 114.94 111.00 1x5j s ASN 62 Ca 0.48 -0.39 0.05 0.00 -0.94 0.00 0.00 52.86 52.06 1x5j s ASN 62 Cb -0.04 0.49 -0.02 0.00 -2.00 0.00 0.00 41.25 39.68 1x5j s ASN 62 CO 0.30 -0.90 0.18 0.00 -2.94 0.00 0.00 177.10 173.74 1x5j s ALA 63 N -3.83 2.74 -0.18 3.54 0.00 -0.46 -4.92 121.76 118.64 1x5j s ALA 63 Ca 0.05 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.59 1x5j s ALA 63 Cb 0.01 0.95 0.08 0.00 0.00 0.00 0.00 23.12 24.15 1x5j s ALA 63 CO -0.09 -0.42 0.15 0.54 0.00 0.00 0.00 175.76 175.94 1x5j s ASN 64 N -3.57 1.86 -0.30 0.00 2.20 -1.26 -4.00 114.94 109.88 1x5j s ASN 64 Ca 0.27 -0.41 -0.07 0.00 -0.94 0.00 0.00 52.86 51.71 1x5j s ASN 64 Cb 0.02 0.06 0.16 0.00 -2.00 0.00 0.00 41.25 39.49 1x5j s ASN 64 CO 0.18 -0.34 0.67 0.00 -2.94 0.00 0.00 177.10 174.67 1x5j s ALA 65 N 2.23 -2.25 -0.81 3.54 0.00 -1.24 -5.06 121.76 118.17 1x5j s ALA 65 Ca 0.04 2.08 -0.24 0.00 0.00 0.00 0.00 51.96 53.84 1x5j s ALA 65 Cb -0.16 -1.99 0.06 0.00 0.00 0.00 0.00 23.12 21.02 1x5j s ALA 65 CO -0.10 -1.12 1.23 0.95 0.00 0.00 0.00 175.76 176.71 1x5j s THR 66 N 2.85 4.04 -0.01 0.00 -4.23 -1.26 -3.90 115.64 113.13 1x5j s THR 66 Ca 0.06 -0.30 -0.30 0.00 -1.18 0.00 0.00 61.69 59.97 1x5j s THR 66 Cb -0.13 -4.88 0.11 0.00 1.34 0.00 0.00 72.50 68.95 1x5j s THR 66 CO -0.19 -1.74 1.28 0.28 -0.54 0.00 0.00 174.62 173.71 1x5j s THR 67 N 4.78 0.00 -0.62 3.99 -1.32 -1.26 -5.01 115.64 116.20 1x5j s THR 67 Ca 0.34 -0.22 0.13 0.00 -1.21 0.00 0.00 61.69 60.73 1x5j s THR 67 Cb -0.08 -2.28 0.66 0.00 -1.51 0.00 0.00 72.50 69.30 1x5j s THR 67 CO 0.05 0.00 1.53 0.18 -2.21 0.00 0.00 174.62 174.16 1x5j n LEU 68 N -0.60 4.70 -3.61 9.08 4.77 -1.26 -4.84 117.00 125.24 1x5j n LEU 68 Ca -0.05 -2.38 -0.03 0.00 -0.03 0.00 0.00 56.01 53.51 1x5j n LEU 68 Cb 0.62 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1x5j n LEU 68 CO 0.13 0.60 0.43 -0.94 -1.33 0.00 0.00 177.39 176.28 1x5j s SER 69 N -0.70 -0.86 0.10 -1.43 1.04 -1.26 -3.04 113.70 107.55 1x5j s SER 69 Ca 0.45 1.28 0.06 0.00 0.48 0.00 0.00 55.95 58.22 1x5j s SER 69 Cb 0.33 1.66 -0.03 0.00 0.10 0.00 0.00 66.02 68.07 1x5j s SER 69 CO 0.15 -0.19 -0.16 -0.47 0.98 0.00 0.00 173.24 173.56 1x5j s TYR 70 N 2.06 1.43 -0.23 5.02 5.04 0.29 -5.00 117.35 125.96 1x5j s TYR 70 Ca -0.08 -0.49 0.01 0.00 -2.44 0.00 0.00 57.07 54.07 1x5j s TYR 70 Cb -0.07 -0.77 0.04 0.00 0.35 0.00 0.00 41.96 41.51 1x5j s TYR 70 CO -0.18 0.14 -0.12 -1.17 -1.34 0.00 0.00 175.55 172.87 1x5j s LEU 71 N -2.13 2.99 0.07 6.97 0.20 -1.26 0.15 118.68 125.66 1x5j s LEU 71 Ca 0.05 -1.03 -0.30 0.00 0.69 0.00 0.00 54.13 53.54 1x5j s LEU 71 Cb -0.08 -1.56 -0.05 0.00 -0.43 0.00 0.00 46.19 44.08 1x5j s LEU 71 CO 0.03 -0.12 0.98 -0.69 -0.29 0.00 0.00 176.35 176.27 1x5j s VAL 72 N 1.22 4.61 0.35 1.68 1.01 0.42 -4.94 120.40 124.75 1x5j s VAL 72 Ca -0.02 2.03 0.04 0.00 0.00 0.00 0.00 61.98 64.03 1x5j s VAL 72 Cb -0.17 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1x5j s VAL 72 CO -0.07 0.25 0.06 0.42 0.00 0.00 0.00 175.10 175.76 1x5j s THR 73 N 0.42 1.13 -0.60 3.92 -4.23 -1.26 -2.46 115.64 112.57 1x5j s THR 73 Ca 0.49 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.98 1x5j s THR 73 Cb -0.23 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 1x5j s THR 73 CO 0.29 0.00 0.52 0.61 -0.54 0.00 0.00 174.62 175.50 1x5j n GLY 74 N -0.75 -0.21 3.68 3.99 0.00 -1.24 -5.05 105.19 105.61 1x5j n GLY 74 Ca -0.03 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.35 2.66 -0.06 0.99 1.43 -1.26 -5.12 118.68 112.97 1x5j s LEU 75 Ca 0.22 -1.46 -0.02 0.00 -1.03 0.00 0.00 54.13 51.83 1x5j s LEU 75 Cb -0.03 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 1x5j s LEU 75 CO 0.41 -0.62 0.05 -0.54 0.23 0.00 0.00 176.35 175.89 1x5j s LYS 76 N -3.79 3.08 0.64 1.70 1.02 -1.26 -4.65 119.74 116.47 1x5j s LYS 76 Ca 0.24 -0.39 -0.16 0.00 0.02 0.00 0.00 55.97 55.68 1x5j s LYS 76 Cb 0.06 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1x5j s LYS 76 CO 0.12 0.69 1.11 -1.25 -0.92 0.00 0.00 175.35 175.11 1x5j s PRO 77 N -1.23 2.91 -1.40 -1.68 0.04 -1.25 -3.73 135.00 128.64 1x5j s PRO 77 Ca 0.17 1.43 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 1x5j s PRO 77 Cb -0.12 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1x5j s PRO 77 CO 0.07 -1.17 0.34 -1.71 0.04 0.00 0.00 177.00 174.57 1x5j n ASN 78 N -2.21 -0.93 -3.77 6.66 5.15 -0.62 -4.86 115.26 114.67 1x5j n ASN 78 Ca 0.11 -1.15 -0.13 0.00 -0.60 0.00 0.00 54.58 52.80 1x5j n ASN 78 Cb 0.52 -2.34 -0.10 0.00 -0.53 0.00 0.00 39.78 37.32 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1x5j s THR 79 N -4.00 0.02 0.17 -0.44 2.01 -1.24 -5.02 115.64 107.13 1x5j s THR 79 Ca 0.12 -0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.71 1x5j s THR 79 Cb -0.06 -0.47 -0.08 0.00 0.01 0.00 0.00 72.50 71.91 1x5j s THR 79 CO 0.94 -0.08 0.86 -0.22 -0.69 0.00 0.00 174.62 175.43 1x5j s LEU 80 N -0.24 4.59 0.10 4.42 2.96 -1.26 -3.64 118.68 125.61 1x5j s LEU 80 Ca -0.04 1.76 0.04 0.00 -0.22 0.00 0.00 54.13 55.67 1x5j s LEU 80 Cb -0.03 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1x5j s LEU 80 CO 0.01 0.14 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.76 1x5j s TYR 81 N -0.90 1.10 0.03 5.38 1.51 -1.23 -3.35 117.35 119.89 1x5j s TYR 81 Ca 0.39 -0.64 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1x5j s TYR 81 Cb -0.24 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1x5j s TYR 81 CO 0.28 0.02 0.04 -1.21 -1.11 0.00 0.00 175.55 173.57 1x5j s GLU 82 N -2.74 2.84 -0.02 -0.62 2.02 -1.10 -2.94 118.70 116.14 1x5j s GLU 82 Ca 0.06 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.42 1x5j s GLU 82 Cb -0.03 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.50 1x5j s GLU 82 CO 0.00 0.61 -0.01 -0.06 0.02 0.00 0.00 175.26 175.82 1x5j s PHE 83 N -1.20 0.28 -0.19 1.61 0.08 -0.77 -3.58 117.98 114.20 1x5j s PHE 83 Ca 0.23 -0.02 -0.09 0.00 0.12 0.00 0.00 56.93 57.18 1x5j s PHE 83 Cb -0.12 -0.30 0.07 0.00 -0.57 0.00 0.00 43.02 42.11 1x5j s PHE 83 CO 0.15 -0.08 0.45 -1.12 -0.10 0.00 0.00 175.22 174.51 1x5j s SER 84 N 0.57 -0.48 -0.10 1.36 0.01 -1.11 -1.17 113.70 112.79 1x5j s SER 84 Ca -0.06 1.01 -0.01 0.00 1.31 0.00 0.00 55.95 58.20 1x5j s SER 84 Cb -0.08 1.09 -0.03 0.00 0.21 0.00 0.00 66.02 67.20 1x5j s SER 84 CO -0.01 -0.21 -0.04 -0.69 0.41 0.00 0.00 173.24 172.69 1x5j s VAL 85 N 1.92 3.89 0.03 3.43 1.01 -1.26 -1.97 120.40 127.45 1x5j s VAL 85 Ca -0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1x5j s VAL 85 Cb -0.10 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1x5j s VAL 85 CO -0.14 0.57 0.03 0.00 0.00 0.00 0.00 175.10 175.57 1x5j s MET 86 N -0.52 0.47 -0.03 2.72 0.23 -1.16 -2.91 119.30 118.10 1x5j s MET 86 Ca 0.08 -0.73 0.03 0.00 -1.03 0.00 0.00 55.69 54.05 1x5j s MET 86 Cb -0.12 0.18 -0.03 0.00 -1.53 0.00 0.00 34.83 33.33 1x5j s MET 86 CO 0.02 -0.10 -0.12 0.54 -2.03 0.00 0.00 175.02 173.33 1x5j s VAL 87 N -2.22 3.25 -0.01 5.16 0.11 -1.26 -2.15 120.40 123.28 1x5j s VAL 87 Ca -0.09 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.25 1x5j s VAL 87 Cb -0.04 -2.32 -0.00 0.00 -1.53 0.00 0.00 36.38 32.49 1x5j s VAL 87 CO -0.03 0.53 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.32 1x5j s THR 88 N -0.81 0.54 -0.66 5.04 2.01 -1.21 -1.19 115.64 119.35 1x5j s THR 88 Ca 0.13 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.91 1x5j s THR 88 Cb -0.11 -0.47 0.22 0.00 0.01 0.00 0.00 72.50 72.15 1x5j s THR 88 CO 0.02 0.16 0.64 1.17 -0.69 0.00 0.00 174.62 175.93 1x5j n LYS 89 N 3.04 2.23 0.00 4.92 4.81 -1.01 -3.78 118.16 128.37 1x5j n LYS 89 Ca -0.14 -4.58 0.00 0.00 -0.87 0.00 0.00 58.31 52.71 1x5j n LYS 89 Cb 0.57 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.36 1x5j n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5j n GLY 90 N 1.30 0.82 0.13 3.14 0.00 -1.26 -2.19 105.19 107.13 1x5j n GLY 90 Ca 0.26 0.52 -0.18 0.00 0.00 0.00 0.00 46.02 46.62 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 0.73 -1.43 1.61 1.74 -1.26 -4.95 116.66 113.10 1x5j n ARG 91 Ca 0.00 0.26 -0.29 0.00 -0.77 0.00 0.00 57.85 57.05 1x5j n ARG 91 Cb 0.00 -1.71 0.13 0.00 -1.02 0.00 0.00 32.46 29.86 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 -2.56 1.23 -0.28 5.56 1.81 -0.93 -5.08 118.95 118.69 1x5j s ARG 92 Ca -0.19 0.48 -0.25 0.00 -1.72 0.00 0.00 55.73 54.04 1x5j s ARG 92 Cb 0.07 -1.83 0.14 0.00 -0.45 0.00 0.00 34.95 32.88 1x5j s ARG 92 CO 0.77 -2.18 1.13 -1.54 -0.68 0.00 0.00 175.30 172.80 1x5j s SER 93 N -3.81 -0.35 0.16 0.23 1.04 -1.26 -2.39 113.70 107.32 1x5j s SER 93 Ca 0.63 0.65 0.03 0.00 0.48 0.00 0.00 55.95 57.74 1x5j s SER 93 Cb -0.16 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1x5j s SER 93 CO 0.55 -0.13 0.26 -0.94 0.98 0.00 0.00 173.24 173.95 1x5j s SER 94 N 0.05 6.13 0.90 7.02 1.04 -0.33 -4.27 113.70 124.24 1x5j s SER 94 Ca 0.04 0.08 -0.11 0.00 0.48 0.00 0.00 55.95 56.44 1x5j s SER 94 Cb -0.05 -1.79 0.14 0.00 0.10 0.00 0.00 66.02 64.42 1x5j s SER 94 CO -0.08 0.04 1.10 0.28 0.98 0.00 0.00 173.24 175.56 1x5j s THR 95 N -1.78 2.59 -0.18 2.02 -1.32 -1.26 -4.60 115.64 111.11 1x5j s THR 95 Ca 0.34 0.19 -0.29 0.00 -1.21 0.00 0.00 61.69 60.72 1x5j s THR 95 Cb -0.11 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1x5j s THR 95 CO 0.27 -0.25 1.47 0.26 -2.21 0.00 0.00 174.62 174.16 1x5j s TRP 96 N -2.79 2.38 1.19 9.09 0.52 -1.26 -4.75 118.94 123.32 1x5j s TRP 96 Ca 0.64 0.65 -0.16 0.00 0.02 0.00 0.00 56.10 57.25 1x5j s TRP 96 Cb -0.20 -3.81 0.24 0.00 -1.15 0.00 0.00 33.47 28.55 1x5j s TRP 96 CO 0.58 -2.60 0.63 -1.13 0.02 0.00 0.00 176.95 174.45 1x5j n SER 97 N 7.46 -2.29 -4.56 2.95 3.41 -1.14 -4.83 113.62 114.62 1x5j n SER 97 Ca 0.16 -0.25 -0.48 0.00 -0.26 0.00 0.00 58.87 58.04 1x5j n SER 97 Cb 0.45 -1.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.25 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 -4.02 1.06 -2.55 4.33 0.00 -1.26 -4.69 117.12 109.99 1x5j n MET 98 Ca 0.02 0.38 -0.42 0.00 0.00 0.00 0.00 57.70 57.68 1x5j n MET 98 Cb 0.57 -1.80 -0.02 0.00 0.00 0.00 0.00 33.22 31.96 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 -0.43 3.95 -0.18 3.17 2.01 -1.26 -4.67 115.64 118.23 1x5j s THR 99 Ca 0.70 0.82 -0.23 0.00 0.31 0.00 0.00 61.69 63.29 1x5j s THR 99 Cb -0.84 -4.70 -0.02 0.00 0.01 0.00 0.00 72.50 66.95 1x5j s THR 99 CO 0.54 -1.36 0.75 0.00 -0.69 0.00 0.00 174.62 173.86 1x5j s ALA 100 N 5.21 3.52 -0.15 7.40 0.00 -0.32 -4.84 121.76 132.58 1x5j s ALA 100 Ca 0.44 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 1x5j s ALA 100 Cb -0.08 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1x5j s ALA 100 CO 0.24 -0.60 0.26 -1.01 0.00 0.00 0.00 175.76 174.66 1x5j s HIS 101 N 2.01 3.49 -0.14 0.00 3.76 -1.26 -1.85 115.29 121.30 1x5j s HIS 101 Ca 0.34 0.58 -0.03 0.00 -0.15 0.00 0.00 55.06 55.80 1x5j s HIS 101 Cb -0.16 -2.27 0.05 0.00 1.11 0.00 0.00 32.58 31.31 1x5j s HIS 101 CO 0.12 0.33 0.04 0.20 -0.85 0.00 0.00 174.74 174.58 1x5j s GLY 102 N 0.17 0.51 -0.35 -2.22 0.00 -1.15 -4.88 107.32 99.39 1x5j s GLY 102 Ca 0.16 -0.35 -0.19 0.00 0.00 0.00 0.00 44.72 44.33 1x5j s GLY 102 CO 0.04 1.41 0.56 -1.59 0.00 0.00 0.00 173.10 173.52 1x5j s THR 103 N 1.99 4.97 0.86 0.90 2.01 -1.26 -3.54 115.64 121.56 1x5j s THR 103 Ca 0.02 0.43 -0.12 0.00 0.31 0.00 0.00 61.69 62.33 1x5j s THR 103 Cb -0.15 -4.01 0.11 0.00 0.01 0.00 0.00 72.50 68.46 1x5j s THR 103 CO -0.07 -0.26 1.10 0.42 -0.69 0.00 0.00 174.62 175.12 1x5j s THR 104 N 2.52 2.77 0.91 -0.82 -4.23 -1.24 -4.97 115.64 110.59 1x5j s THR 104 Ca 0.21 0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 1x5j s THR 104 Cb -0.15 -2.83 0.14 0.00 1.34 0.00 0.00 72.50 71.00 1x5j s THR 104 CO 0.14 -0.33 1.14 -0.36 -0.54 0.00 0.00 174.62 174.68 1x5j s PHE 105 N -3.02 2.47 0.34 3.99 0.08 -1.26 -3.42 117.98 117.16 1x5j s PHE 105 Ca 0.62 0.82 -0.23 0.00 0.12 0.00 0.00 56.93 58.26 1x5j s PHE 105 Cb -0.17 -3.42 -0.10 0.00 -0.57 0.00 0.00 43.02 38.77 1x5j s PHE 105 CO 0.56 -2.37 0.91 -1.83 -0.10 0.00 0.00 175.22 172.38 1x5j s GLU 106 N -5.32 4.42 -0.68 0.44 1.03 -1.26 -1.58 118.70 115.74 1x5j s GLU 106 Ca 0.64 1.18 -0.06 0.00 0.03 0.00 0.00 54.97 56.76 1x5j s GLU 106 Cb -0.14 -2.62 0.18 0.00 -0.80 0.00 0.00 34.13 30.74 1x5j s GLU 106 CO 0.53 0.20 0.54 -1.17 -1.33 0.00 0.00 175.26 174.03 1x5j s LEU 107 N -2.40 5.70 -1.35 1.83 2.96 -1.26 -4.63 118.68 119.53 1x5j s LEU 107 Ca 0.53 -2.79 -0.06 0.00 -0.22 0.00 0.00 54.13 51.59 1x5j s LEU 107 Cb -0.15 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1x5j s LEU 107 CO 0.20 -0.44 0.82 -0.24 -1.32 0.00 0.00 176.35 175.38 1x5j n SER 108 N 3.66 -5.93 0.00 3.68 2.88 -1.26 -4.74 113.62 111.91 1x5j n SER 108 Ca 0.09 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1x5j n SER 108 Cb 0.41 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 1x5j n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5j n GLY 109 N -1.68 -1.53 0.00 0.46 0.00 -1.26 -4.29 105.19 96.89 1x5j n GLY 109 Ca -0.05 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.51 1x5j n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5j n PRO 110 N -1.67 0.14 -4.22 1.61 -0.04 -1.26 -4.58 135.00 124.97 1x5j n PRO 110 Ca 0.00 0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 1x5j n PRO 110 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 1x5j n PRO 110 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5j s SER 111 N -2.72 1.65 0.21 3.54 0.01 -1.26 -5.01 113.70 110.13 1x5j s SER 111 Ca 0.12 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1x5j s SER 111 Cb 0.10 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1x5j s SER 111 CO 0.24 -0.05 0.00 -0.24 0.41 0.00 0.00 173.24 173.60 1x5j n SER 112 N 4.30 0.39 0.00 2.44 2.88 -1.26 -4.93 113.62 117.44 1x5j n SER 112 Ca -0.19 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1x5j n SER 112 Cb 0.51 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1x5j n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42