#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 -0.40 0.09 1.61 0.01 -1.26 -5.05 113.70 108.71 1x5j s SER 2 Ca 0.00 0.98 -0.18 0.00 1.31 0.00 0.00 55.95 58.06 1x5j s SER 2 Cb 0.00 1.13 -0.07 0.00 0.21 0.00 0.00 66.02 67.29 1x5j s SER 2 CO 0.00 -0.22 1.54 -1.28 0.41 0.00 0.00 173.24 173.70 1x5j h SER 3 N 7.71 0.44 0.00 2.44 0.87 -2.10 -3.47 113.55 119.43 1x5j h SER 3 Ca -0.25 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1x5j h SER 3 Cb 1.14 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1x5j h SER 3 CO 0.19 0.62 0.00 0.61 -0.53 0.00 0.00 176.83 177.72 1x5j n GLY 4 N -0.38 1.13 0.35 5.77 0.00 -1.26 -5.03 105.19 105.78 1x5j n GLY 4 Ca -0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1x5j n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5j n SER 5 N 0.00 -0.90 -3.21 1.61 7.64 -1.26 -4.46 113.62 113.04 1x5j n SER 5 Ca 0.00 1.51 -0.29 0.00 1.01 0.00 0.00 58.87 61.10 1x5j n SER 5 Cb 0.00 -0.20 0.28 0.00 -1.01 0.00 0.00 64.21 63.28 1x5j n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5j n SER 6 N -5.05 -4.02 -2.66 6.43 7.64 -1.26 -5.04 113.62 109.66 1x5j n SER 6 Ca 0.02 -0.84 -0.03 0.00 1.01 0.00 0.00 58.87 59.03 1x5j n SER 6 Cb 0.22 -0.94 0.11 0.00 -1.01 0.00 0.00 64.21 62.59 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 -5.44 -1.47 3.71 0.23 0.00 -1.26 -5.07 105.19 95.90 1x5j n GLY 7 Ca 0.13 0.86 -0.30 0.00 0.00 0.00 0.00 46.02 46.71 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 0.05 1.19 0.60 1.61 0.04 -1.26 -4.97 135.00 132.25 1x5j s PRO 8 Ca 0.21 0.80 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 1x5j s PRO 8 Cb 0.29 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.98 1x5j s PRO 8 CO -0.19 -2.28 0.92 -1.33 0.04 0.00 0.00 177.00 174.16 1x5j n MET 9 N -3.91 0.86 -3.85 4.56 2.81 -1.21 -4.97 117.12 111.41 1x5j n MET 9 Ca 0.07 0.34 -0.37 0.00 -1.81 0.00 0.00 57.70 55.93 1x5j n MET 9 Cb 0.55 -2.12 -0.06 0.00 -0.71 0.00 0.00 33.22 30.88 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 -2.69 3.47 0.77 0.03 -1.94 -1.26 -3.99 119.30 113.70 1x5j s MET 10 Ca 0.75 -0.10 -0.11 0.00 -1.71 0.00 0.00 55.69 54.52 1x5j s MET 10 Cb -0.42 -3.19 0.06 0.00 2.01 0.00 0.00 34.83 33.29 1x5j s MET 10 CO 0.48 0.77 1.09 -1.25 -0.01 0.00 0.00 175.02 176.10 1x5j s PRO 11 N -1.09 2.25 1.15 2.03 0.04 -1.26 -4.78 135.00 133.34 1x5j s PRO 11 Ca 0.16 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 1x5j s PRO 11 Cb -0.12 -1.90 0.29 0.00 0.04 0.00 0.00 34.50 32.81 1x5j s PRO 11 CO 0.06 -1.65 1.02 -0.35 0.04 0.00 0.00 177.00 176.12 1x5j n PRO 12 N -3.52 -3.01 -4.22 0.56 -0.04 -1.26 -4.90 135.00 118.61 1x5j n PRO 12 Ca 0.09 -1.63 -0.16 0.00 -0.04 0.00 0.00 63.50 61.76 1x5j n PRO 12 Cb 0.53 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1x5j n PRO 12 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1x5j s VAL 13 N -2.85 0.00 0.00 0.52 -7.23 -0.35 -4.78 120.40 105.71 1x5j s VAL 13 Ca 0.66 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1x5j s VAL 13 Cb -0.07 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1x5j s VAL 13 CO 0.51 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 1x5j n GLY 14 N -0.51 0.24 3.46 2.32 0.00 -1.26 -0.39 105.19 109.04 1x5j n GLY 14 Ca 0.05 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.55 1x5j n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x5j n VAL 15 N -2.25 0.20 -3.95 1.61 0.31 -1.26 -4.58 118.33 108.41 1x5j n VAL 15 Ca 0.00 -0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 1x5j n VAL 15 Cb 0.22 -1.50 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 1x5j n VAL 15 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1x5j s GLN 16 N 5.85 0.38 -0.21 5.55 -0.21 -1.15 -4.82 119.66 125.05 1x5j s GLN 16 Ca 1.09 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 55.86 1x5j s GLN 16 Cb -0.93 0.14 -0.00 0.00 1.00 0.00 0.00 33.01 33.22 1x5j s GLN 16 CO 0.52 -0.07 -0.07 0.00 -2.12 0.00 0.00 175.29 173.55 1x5j s ALA 17 N -1.56 2.72 -0.51 6.09 0.00 -1.26 -3.18 121.76 124.06 1x5j s ALA 17 Ca -0.15 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 1x5j s ALA 17 Cb -0.08 -1.59 0.10 0.00 0.00 0.00 0.00 23.12 21.55 1x5j s ALA 17 CO -0.01 -0.40 0.45 0.45 0.00 0.00 0.00 175.76 176.25 1x5j s SER 18 N 1.41 6.16 -0.23 0.00 0.15 0.37 -4.90 113.70 116.67 1x5j s SER 18 Ca 0.05 -1.58 -0.29 0.00 0.70 0.00 0.00 55.95 54.84 1x5j s SER 18 Cb -0.14 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1x5j s SER 18 CO -0.05 -0.76 1.65 -0.63 1.20 0.00 0.00 173.24 174.65 1x5j s ILE 19 N 1.61 3.65 -0.17 6.45 -1.09 -1.26 -1.67 121.20 128.72 1x5j s ILE 19 Ca 0.04 0.73 -0.05 0.00 -2.23 0.00 0.00 60.65 59.13 1x5j s ILE 19 Cb -0.27 -3.68 -0.09 0.00 -1.58 0.00 0.00 42.46 36.84 1x5j s ILE 19 CO 0.05 -0.30 -0.19 0.18 -1.23 0.00 0.00 174.94 173.44 1x5j n LEU 20 N 8.67 1.92 0.00 2.97 4.77 -1.05 -5.02 117.00 129.26 1x5j n LEU 20 Ca 0.19 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1x5j n LEU 20 Cb 0.45 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1x5j n LEU 20 CO 0.65 0.53 -0.07 -1.20 -1.33 0.00 0.00 177.39 175.97 1x5j n SER 21 N -3.47 0.13 0.12 -1.43 7.64 -1.02 -4.98 113.62 110.60 1x5j n SER 21 Ca -0.32 -2.23 -0.01 0.00 1.01 0.00 0.00 58.87 57.32 1x5j n SER 21 Cb 0.77 0.82 0.25 0.00 -1.01 0.00 0.00 64.21 65.04 1x5j n SER 21 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1x5j h HIS 22 N 1.53 0.21 0.00 1.43 2.07 -1.92 -3.19 115.15 115.26 1x5j h HIS 22 Ca -0.15 -0.05 -0.04 0.00 -2.85 0.00 0.00 60.37 57.28 1x5j h HIS 22 Cb 0.68 -0.05 -0.09 0.00 2.57 0.00 0.00 27.41 30.52 1x5j h HIS 22 CO 0.00 0.56 -0.56 -0.25 -3.07 0.00 0.00 177.93 174.61 1x5j n ASP 23 N -4.04 1.53 -3.87 3.10 9.92 -1.26 -3.92 116.55 118.02 1x5j n ASP 23 Ca -0.01 -3.23 -0.19 0.00 -0.53 0.00 0.00 54.79 50.82 1x5j n ASP 23 Cb 0.46 -0.44 -0.16 0.00 -0.64 0.00 0.00 41.12 40.34 1x5j n ASP 23 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1x5j s THR 24 N -2.23 0.42 -0.11 -3.53 2.01 -1.21 -3.05 115.64 107.95 1x5j s THR 24 Ca 0.34 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 1x5j s THR 24 Cb 0.34 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 72.41 1x5j s THR 24 CO -0.08 0.20 0.29 -0.63 -0.69 0.00 0.00 174.62 173.71 1x5j s ILE 25 N 0.98 -0.00 -0.22 1.82 1.01 -1.01 -2.43 121.20 121.36 1x5j s ILE 25 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 1x5j s ILE 25 Cb -0.14 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1x5j s ILE 25 CO -0.01 0.00 0.11 -0.60 0.00 0.00 0.00 174.94 174.45 1x5j s ARG 26 N 0.19 4.01 -0.46 2.79 3.52 -0.67 -1.82 118.95 126.51 1x5j s ARG 26 Ca -0.00 -0.31 0.03 0.00 -0.13 0.00 0.00 55.73 55.32 1x5j s ARG 26 Cb -0.02 -3.40 0.12 0.00 -1.56 0.00 0.00 34.95 30.09 1x5j s ARG 26 CO 0.00 0.14 0.20 0.42 -0.81 0.00 0.00 175.30 175.24 1x5j s ILE 27 N 0.80 2.62 -0.03 4.11 -1.09 0.14 -0.47 121.20 127.28 1x5j s ILE 27 Ca 0.06 -2.85 0.00 0.00 -2.23 0.00 0.00 60.65 55.63 1x5j s ILE 27 Cb -0.13 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 1x5j s ILE 27 CO 0.02 -0.73 0.00 0.42 -1.23 0.00 0.00 174.94 173.43 1x5j s THR 28 N 0.26 4.23 0.33 2.92 -4.23 -1.19 0.31 115.64 118.27 1x5j s THR 28 Ca 0.14 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 1x5j s THR 28 Cb -0.23 -2.85 -0.00 0.00 1.34 0.00 0.00 72.50 70.76 1x5j s THR 28 CO -0.04 0.46 0.41 -2.67 -0.54 0.00 0.00 174.62 172.24 1x5j n TRP 29 N 1.66 -1.21 -4.19 3.99 2.14 0.16 -2.94 117.44 117.05 1x5j n TRP 29 Ca -0.16 -2.43 -0.12 0.00 2.07 0.00 0.00 57.50 56.86 1x5j n TRP 29 Cb 0.53 0.45 -0.10 0.00 -0.81 0.00 0.00 31.31 31.38 1x5j n TRP 29 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1x5j s ALA 30 N -2.93 1.14 -0.36 -1.67 0.00 0.47 -4.68 121.76 113.73 1x5j s ALA 30 Ca 0.32 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1x5j s ALA 30 Cb -0.00 0.10 0.11 0.00 0.00 0.00 0.00 23.12 23.33 1x5j s ALA 30 CO 0.23 -0.15 0.13 0.34 0.00 0.00 0.00 175.76 176.31 1x5j s ASP 31 N -2.94 4.09 0.66 0.00 2.15 -1.26 -1.21 116.67 118.15 1x5j s ASP 31 Ca 0.12 -2.07 0.25 0.00 0.43 0.00 0.00 52.55 51.27 1x5j s ASP 31 Cb 0.03 -1.10 1.36 0.00 -0.30 0.00 0.00 42.92 42.91 1x5j s ASP 31 CO -0.02 -0.36 1.77 0.78 -0.17 0.00 0.00 175.17 177.17 1x5j h ASN 32 N 7.55 0.00 -0.30 -0.34 2.35 -1.96 0.90 115.58 123.78 1x5j h ASN 32 Ca -0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1x5j h ASN 32 Cb 0.99 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1x5j h ASN 32 CO 0.49 0.00 0.02 -1.28 -1.65 0.00 0.00 177.43 175.01 1x5j h SER 33 N 0.00 0.50 -2.54 5.81 0.87 -1.95 -3.45 113.55 112.79 1x5j h SER 33 Ca 0.02 -0.29 -0.57 0.00 -1.23 0.00 0.00 61.79 59.71 1x5j h SER 33 Cb 0.94 -0.13 0.19 0.00 -0.44 0.00 0.00 62.40 62.96 1x5j h SER 33 CO -0.00 0.67 -0.95 0.18 -0.53 0.00 0.00 176.83 176.20 1x5j n LEU 34 N -4.59 -2.10 0.00 2.23 4.77 0.31 -4.96 117.00 112.66 1x5j n LEU 34 Ca -0.03 0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 56.34 1x5j n LEU 34 Cb 0.24 -1.00 0.13 0.00 -2.33 0.00 0.00 43.42 40.47 1x5j n LEU 34 CO 0.38 -4.27 0.31 -0.81 -1.33 0.00 0.00 177.39 171.67 1x5j n PRO 35 N 0.70 -2.14 0.00 3.23 -0.04 -1.26 -4.94 135.00 130.56 1x5j n PRO 35 Ca 0.07 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1x5j n PRO 35 Cb 0.50 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 1x5j n PRO 35 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x5j n LYS 36 N -3.25 0.00 -2.40 0.54 4.81 -1.26 -4.40 118.16 112.19 1x5j n LYS 36 Ca 0.08 0.95 -0.37 0.00 -0.87 0.00 0.00 58.31 58.10 1x5j n LYS 36 Cb 0.31 -1.44 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 1x5j n LYS 36 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1x5j s HIS 37 N -2.94 3.15 -1.15 5.64 -3.43 -1.26 -4.93 115.29 110.37 1x5j s HIS 37 Ca 0.00 1.60 -0.21 0.00 -0.80 0.00 0.00 55.06 55.65 1x5j s HIS 37 Cb 0.00 -3.27 0.01 0.00 -1.43 0.00 0.00 32.58 27.89 1x5j s HIS 37 CO 0.00 -1.01 1.74 -1.14 -2.00 0.00 0.00 174.74 172.33 1x5j s GLN 38 N -2.41 3.36 -0.19 -0.38 2.00 -1.26 -4.86 119.66 115.93 1x5j s GLN 38 Ca 0.58 -1.37 -0.05 0.00 -2.00 0.00 0.00 55.36 52.52 1x5j s GLN 38 Cb -0.27 -5.37 0.09 0.00 0.80 0.00 0.00 33.01 28.27 1x5j s GLN 38 CO 0.33 -2.79 0.32 0.15 -0.50 0.00 0.00 175.29 172.80 1x5j s LYS 39 N 5.29 0.24 -1.09 1.67 1.02 -1.26 -5.08 119.74 120.52 1x5j s LYS 39 Ca 0.57 0.67 -0.22 0.00 0.02 0.00 0.00 55.97 57.01 1x5j s LYS 39 Cb 0.01 -0.26 0.02 0.00 -0.52 0.00 0.00 37.83 37.07 1x5j s LYS 39 CO 0.04 -0.43 1.69 0.42 -0.92 0.00 0.00 175.35 176.14 1x5j s ILE 40 N 2.48 3.83 -1.12 2.17 1.01 -1.26 -4.73 121.20 123.58 1x5j s ILE 40 Ca 0.04 -1.01 0.29 0.00 0.00 0.00 0.00 60.65 59.97 1x5j s ILE 40 Cb -0.13 -4.82 0.31 0.00 0.01 0.00 0.00 42.46 37.82 1x5j s ILE 40 CO -0.12 -1.64 1.94 0.35 0.00 0.00 0.00 174.94 175.47 1x5j n THR 41 N 7.08 0.04 -2.21 2.92 -2.24 -1.26 -4.84 114.28 113.77 1x5j n THR 41 Ca 0.40 0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.91 1x5j n THR 41 Cb 0.48 -0.52 0.04 0.00 -2.10 0.00 0.00 70.33 68.23 1x5j n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5j s ASP 42 N -2.88 5.51 -1.03 3.42 2.15 -1.26 -5.00 116.67 117.57 1x5j s ASP 42 Ca 0.18 0.85 -0.02 0.00 0.43 0.00 0.00 52.55 53.99 1x5j s ASP 42 Cb 0.19 -1.76 0.31 0.00 -0.30 0.00 0.00 42.92 41.36 1x5j s ASP 42 CO 0.50 -1.18 1.64 -1.20 -0.17 0.00 0.00 175.17 174.75 1x5j n SER 43 N -2.75 6.82 -4.40 -0.34 7.64 -1.26 -4.98 113.62 114.35 1x5j n SER 43 Ca 0.05 -3.57 -0.28 0.00 1.01 0.00 0.00 58.87 56.09 1x5j n SER 43 Cb 0.58 -1.19 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 1x5j n SER 43 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1x5j n ARG 44 N 0.54 0.88 -3.76 1.43 1.85 -1.26 -5.01 116.66 111.32 1x5j n ARG 44 Ca 0.37 -3.23 -0.13 0.00 -1.00 0.00 0.00 57.85 53.86 1x5j n ARG 44 Cb 0.30 0.76 -0.10 0.00 -1.05 0.00 0.00 32.46 32.37 1x5j n ARG 44 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 1x5j s TYR 45 N -2.58 -0.26 -0.01 2.89 1.13 -1.23 -4.81 117.35 112.48 1x5j s TYR 45 Ca 0.06 0.54 -0.02 0.00 -1.41 0.00 0.00 57.07 56.23 1x5j s TYR 45 Cb -0.00 0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.92 1x5j s TYR 45 CO 0.04 -0.30 0.16 0.71 -2.51 0.00 0.00 175.55 173.65 1x5j s TYR 46 N -0.67 3.51 -0.28 -3.49 1.51 -1.20 -3.22 117.35 113.50 1x5j s TYR 46 Ca -0.08 0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 1x5j s TYR 46 Cb -0.04 -1.82 0.08 0.00 -0.11 0.00 0.00 41.96 40.08 1x5j s TYR 46 CO 0.03 0.63 0.03 0.99 -1.11 0.00 0.00 175.55 176.12 1x5j s THR 47 N -1.29 1.33 -0.15 -0.71 2.01 -1.06 -2.42 115.64 113.34 1x5j s THR 47 Ca 0.26 -1.45 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 1x5j s THR 47 Cb -0.12 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1x5j s THR 47 CO 0.17 -0.43 0.38 -0.69 -0.69 0.00 0.00 174.62 173.36 1x5j s VAL 48 N 1.43 5.24 0.27 3.82 1.01 -1.24 -3.30 120.40 127.62 1x5j s VAL 48 Ca 0.04 0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.84 1x5j s VAL 48 Cb -0.18 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1x5j s VAL 48 CO -0.14 0.34 0.11 0.00 0.00 0.00 0.00 175.10 175.41 1x5j s ARG 49 N 0.67 2.60 -0.28 2.72 1.70 -0.63 -1.37 118.95 124.35 1x5j s ARG 49 Ca 0.21 -1.26 -0.25 0.00 -0.47 0.00 0.00 55.73 53.95 1x5j s ARG 49 Cb -0.14 -2.35 0.12 0.00 -0.57 0.00 0.00 34.95 32.01 1x5j s ARG 49 CO 0.07 0.34 1.02 1.67 -1.08 0.00 0.00 175.30 177.33 1x5j s TRP 50 N -2.25 -0.48 0.31 5.89 -2.14 0.47 -2.45 118.94 118.28 1x5j s TRP 50 Ca 0.33 1.17 -0.01 0.00 2.66 0.00 0.00 56.10 60.25 1x5j s TRP 50 Cb -0.07 0.36 -0.01 0.00 -3.10 0.00 0.00 33.47 30.65 1x5j s TRP 50 CO 0.23 -0.23 0.38 -1.59 -2.66 0.00 0.00 176.95 173.07 1x5j s LYS 51 N 0.22 1.73 0.27 3.25 -2.85 -1.25 -2.50 119.74 118.61 1x5j s LYS 51 Ca 0.03 -1.74 -0.02 0.00 -1.00 0.00 0.00 55.97 53.24 1x5j s LYS 51 Cb -0.05 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 1x5j s LYS 51 CO -0.06 -0.68 0.49 0.95 0.10 0.00 0.00 175.35 176.15 1x5j s THR 52 N -3.42 5.11 -0.61 3.79 -4.23 -1.26 -1.70 115.64 113.32 1x5j s THR 52 Ca 0.33 -0.25 0.25 0.00 -1.18 0.00 0.00 61.69 60.84 1x5j s THR 52 Cb 0.01 -3.77 0.15 0.00 1.34 0.00 0.00 72.50 70.23 1x5j s THR 52 CO 0.19 -0.33 1.47 -1.13 -0.54 0.00 0.00 174.62 174.28 1x5j h ASN 53 N 1.55 0.00 -3.33 3.99 -1.24 -1.78 -3.44 115.58 111.33 1x5j h ASN 53 Ca -0.48 -0.11 -0.39 0.00 0.71 0.00 0.00 56.30 56.03 1x5j h ASN 53 Cb 1.20 0.00 -0.37 0.00 0.73 0.00 0.00 38.32 39.87 1x5j h ASN 53 CO 0.65 0.05 -0.75 -0.63 -1.29 0.00 0.00 177.43 175.46 1x5j s ILE 54 N -3.17 0.18 0.53 2.57 -1.09 -1.26 -1.83 121.20 117.13 1x5j s ILE 54 Ca 0.07 0.21 -0.20 0.00 -2.23 0.00 0.00 60.65 58.50 1x5j s ILE 54 Cb 0.12 -0.35 -0.06 0.00 -1.58 0.00 0.00 42.46 40.58 1x5j s ILE 54 CO 0.68 0.21 1.14 -2.16 -1.23 0.00 0.00 174.94 173.58 1x5j s PRO 55 N 1.80 3.43 0.18 2.79 0.04 -1.26 -5.04 135.00 136.95 1x5j s PRO 55 Ca 0.01 1.64 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 1x5j s PRO 55 Cb -0.12 -2.08 0.27 0.00 0.04 0.00 0.00 34.50 32.60 1x5j s PRO 55 CO -0.04 -0.79 1.05 0.00 0.04 0.00 0.00 177.00 177.26 1x5j n ALA 56 N -1.14 0.09 -2.67 8.56 0.00 -0.76 -3.85 120.51 120.74 1x5j n ALA 56 Ca 0.11 0.72 -0.37 0.00 0.00 0.00 0.00 53.44 53.90 1x5j n ALA 56 Cb 0.50 -0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 1x5j n ALA 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x5j s ASN 57 N -5.19 6.23 -0.18 0.00 3.84 -1.26 -4.81 114.94 113.57 1x5j s ASN 57 Ca -0.10 0.26 -0.22 0.00 0.21 0.00 0.00 52.86 53.02 1x5j s ASN 57 Cb 0.17 -2.15 0.06 0.00 -0.55 0.00 0.00 41.25 38.78 1x5j s ASN 57 CO 0.51 0.02 0.58 -0.89 -2.79 0.00 0.00 177.10 174.53 1x5j s THR 58 N 1.13 0.00 -0.27 -5.21 2.01 -1.25 -5.02 115.64 107.03 1x5j s THR 58 Ca 0.12 -0.03 -0.43 0.00 0.31 0.00 0.00 61.69 61.65 1x5j s THR 58 Cb -0.14 -0.83 -0.19 0.00 0.01 0.00 0.00 72.50 71.35 1x5j s THR 58 CO 0.06 -0.02 1.44 0.29 -0.69 0.00 0.00 174.62 175.70 1x5j n LYS 59 N 2.39 0.25 -2.56 4.92 4.76 -1.26 -4.84 118.16 121.82 1x5j n LYS 59 Ca -0.15 0.09 -0.43 0.00 -2.87 0.00 0.00 58.31 54.95 1x5j n LYS 59 Cb 0.56 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 1x5j n LYS 59 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1x5j s TYR 60 N 1.98 3.04 0.18 2.13 2.02 -1.26 -4.85 117.35 120.59 1x5j s TYR 60 Ca 0.98 1.15 -0.15 0.00 -0.37 0.00 0.00 57.07 58.68 1x5j s TYR 60 Cb -1.33 -3.63 -0.07 0.00 -0.40 0.00 0.00 41.96 36.52 1x5j s TYR 60 CO 0.70 -1.06 0.59 0.15 -1.57 0.00 0.00 175.55 174.36 1x5j s LYS 61 N 3.66 4.01 0.05 -0.62 1.02 -1.04 -4.93 119.74 121.89 1x5j s LYS 61 Ca 0.49 0.54 -0.02 0.00 0.02 0.00 0.00 55.97 57.01 1x5j s LYS 61 Cb -0.15 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1x5j s LYS 61 CO 0.15 0.43 -0.01 0.54 -0.92 0.00 0.00 175.35 175.54 1x5j s ASN 62 N -1.80 0.45 0.40 2.83 2.20 -1.26 -0.40 114.94 117.36 1x5j s ASN 62 Ca 0.41 -0.95 0.03 0.00 -0.94 0.00 0.00 52.86 51.41 1x5j s ASN 62 Cb -0.15 0.21 -0.03 0.00 -2.00 0.00 0.00 41.25 39.28 1x5j s ASN 62 CO 0.20 -0.60 0.10 0.00 -2.94 0.00 0.00 177.10 173.86 1x5j s ALA 63 N -3.81 2.92 -0.17 3.54 0.00 -0.47 -4.99 121.76 118.77 1x5j s ALA 63 Ca 0.06 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 1x5j s ALA 63 Cb 0.07 0.67 0.05 0.00 0.00 0.00 0.00 23.12 23.91 1x5j s ALA 63 CO -0.10 -0.30 0.00 0.54 0.00 0.00 0.00 175.76 175.90 1x5j s ASN 64 N -3.61 2.78 -0.27 0.00 2.20 -1.26 -3.73 114.94 111.05 1x5j s ASN 64 Ca 0.25 -0.71 -0.07 0.00 -0.94 0.00 0.00 52.86 51.39 1x5j s ASN 64 Cb 0.04 -0.69 0.13 0.00 -2.00 0.00 0.00 41.25 38.73 1x5j s ASN 64 CO 0.14 -0.26 0.57 0.00 -2.94 0.00 0.00 177.10 174.60 1x5j s ALA 65 N 1.79 -1.82 -0.81 3.54 0.00 -1.02 -5.04 121.76 118.40 1x5j s ALA 65 Ca -0.00 1.93 -0.25 0.00 0.00 0.00 0.00 51.96 53.64 1x5j s ALA 65 Cb -0.16 -1.76 0.05 0.00 0.00 0.00 0.00 23.12 21.25 1x5j s ALA 65 CO -0.07 -1.01 1.26 0.95 0.00 0.00 0.00 175.76 176.89 1x5j s THR 66 N 2.80 3.94 0.01 0.00 -4.23 -1.26 -3.20 115.64 113.69 1x5j s THR 66 Ca 0.02 -0.15 -0.29 0.00 -1.18 0.00 0.00 61.69 60.09 1x5j s THR 66 Cb -0.13 -4.91 0.11 0.00 1.34 0.00 0.00 72.50 68.91 1x5j s THR 66 CO -0.18 -1.79 1.25 0.28 -0.54 0.00 0.00 174.62 173.64 1x5j s THR 67 N 5.06 0.00 -1.07 3.99 -1.32 -1.26 -4.94 115.64 116.10 1x5j s THR 67 Ca 0.36 -0.27 0.08 0.00 -1.21 0.00 0.00 61.69 60.65 1x5j s THR 67 Cb -0.07 -2.12 0.38 0.00 -1.51 0.00 0.00 72.50 69.18 1x5j s THR 67 CO 0.06 0.00 1.17 0.18 -2.21 0.00 0.00 174.62 173.82 1x5j n LEU 68 N -0.54 2.92 0.00 9.08 4.77 -1.26 -4.80 117.00 127.17 1x5j n LEU 68 Ca -0.07 -1.47 -0.11 0.00 -0.03 0.00 0.00 56.01 54.33 1x5j n LEU 68 Cb 0.62 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1x5j n LEU 68 CO 0.13 0.46 0.33 -1.54 -1.33 0.00 0.00 177.39 175.43 1x5j n SER 69 N 0.40 -1.69 -3.65 -1.43 3.41 -1.26 -0.66 113.62 108.74 1x5j n SER 69 Ca 0.13 -2.58 -0.02 0.00 -0.26 0.00 0.00 58.87 56.15 1x5j n SER 69 Cb 0.59 2.94 -0.07 0.00 -0.26 0.00 0.00 64.21 67.41 1x5j n SER 69 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1x5j s TYR 70 N -2.97 -0.34 -0.39 7.33 5.04 0.15 -4.94 117.35 121.23 1x5j s TYR 70 Ca 0.20 0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 55.46 1x5j s TYR 70 Cb -0.03 0.28 0.07 0.00 0.35 0.00 0.00 41.96 42.64 1x5j s TYR 70 CO 0.15 -0.17 0.21 -1.17 -1.34 0.00 0.00 175.55 173.23 1x5j s LEU 71 N 0.87 4.92 0.12 6.97 2.96 -1.26 0.27 118.68 133.52 1x5j s LEU 71 Ca -0.04 -1.44 -0.27 0.00 -0.22 0.00 0.00 54.13 52.16 1x5j s LEU 71 Cb -0.04 -1.94 -0.07 0.00 0.50 0.00 0.00 46.19 44.65 1x5j s LEU 71 CO -0.12 -0.47 0.85 -0.69 -1.32 0.00 0.00 176.35 174.59 1x5j s VAL 72 N 1.40 4.47 0.09 1.68 1.01 -0.76 -4.95 120.40 123.34 1x5j s VAL 72 Ca 0.02 1.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 1x5j s VAL 72 Cb -0.22 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1x5j s VAL 72 CO 0.02 0.42 0.03 0.42 0.00 0.00 0.00 175.10 175.98 1x5j s THR 73 N -0.51 0.16 0.00 3.92 -4.23 -1.26 -2.40 115.64 111.33 1x5j s THR 73 Ca 0.40 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1x5j s THR 73 Cb -0.23 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1x5j s THR 73 CO 0.27 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1x5j n GLY 74 N 0.01 0.47 2.92 3.99 0.00 -1.17 -5.04 105.19 106.37 1x5j n GLY 74 Ca -0.10 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1x5j n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5j n LEU 75 N 0.00 0.00 -4.70 0.99 4.77 -1.26 -5.08 117.00 111.72 1x5j n LEU 75 Ca 0.00 -1.17 -0.33 0.00 -0.03 0.00 0.00 56.01 54.48 1x5j n LEU 75 Cb 0.00 -0.73 -0.09 0.00 -2.33 0.00 0.00 43.42 40.27 1x5j n LEU 75 CO 0.00 -1.17 -0.31 -0.54 -1.33 0.00 0.00 177.39 174.04 1x5j s LYS 76 N -5.10 2.88 0.62 3.23 1.02 -1.26 -4.68 119.74 116.45 1x5j s LYS 76 Ca 0.56 -0.53 -0.16 0.00 0.02 0.00 0.00 55.97 55.85 1x5j s LYS 76 Cb -0.02 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1x5j s LYS 76 CO 0.39 0.65 1.12 -1.25 -0.92 0.00 0.00 175.35 175.34 1x5j s PRO 77 N -1.40 2.98 -1.16 -1.68 0.04 -1.25 -3.71 135.00 128.81 1x5j s PRO 77 Ca 0.18 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 1x5j s PRO 77 Cb -0.12 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1x5j s PRO 77 CO 0.09 -1.12 0.22 0.27 0.04 0.00 0.00 177.00 176.49 1x5j n ASN 78 N -2.06 -0.85 -3.89 6.66 6.94 -0.68 -4.85 115.26 116.52 1x5j n ASN 78 Ca 0.11 -1.06 -0.16 0.00 -0.02 0.00 0.00 54.58 53.44 1x5j n ASN 78 Cb 0.52 -1.30 -0.15 0.00 -2.36 0.00 0.00 39.78 36.48 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1x5j s THR 79 N -4.00 0.29 -0.06 5.53 2.01 -1.24 -4.99 115.64 113.17 1x5j s THR 79 Ca 0.16 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1x5j s THR 79 Cb -0.09 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1x5j s THR 79 CO 0.81 0.12 1.31 -0.22 -0.69 0.00 0.00 174.62 175.96 1x5j s LEU 80 N 0.39 4.28 0.10 4.42 1.98 -1.26 -4.04 118.68 124.54 1x5j s LEU 80 Ca -0.04 1.92 0.05 0.00 -2.89 0.00 0.00 54.13 53.18 1x5j s LEU 80 Cb -0.07 -3.55 -0.03 0.00 0.66 0.00 0.00 46.19 43.19 1x5j s LEU 80 CO -0.01 -0.69 -0.14 -0.31 -1.89 0.00 0.00 176.35 173.32 1x5j s TYR 81 N 2.65 1.29 0.21 5.38 2.02 -1.24 -2.38 117.35 125.28 1x5j s TYR 81 Ca 0.60 -0.54 0.06 0.00 -0.37 0.00 0.00 57.07 56.82 1x5j s TYR 81 Cb -0.27 -0.69 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 1x5j s TYR 81 CO 0.23 0.09 0.18 -1.21 -1.57 0.00 0.00 175.55 173.27 1x5j s GLU 82 N -2.36 2.96 -0.11 -0.62 8.01 -0.69 -2.82 118.70 123.07 1x5j s GLU 82 Ca 0.05 -0.94 -0.06 0.00 0.01 0.00 0.00 54.97 54.02 1x5j s GLU 82 Cb -0.06 -2.63 0.04 0.00 -4.31 0.00 0.00 34.13 27.17 1x5j s GLU 82 CO 0.02 0.44 0.26 -0.06 0.01 0.00 0.00 175.26 175.93 1x5j s PHE 83 N -1.95 -0.33 -0.16 1.61 0.08 -1.00 -3.77 117.98 112.46 1x5j s PHE 83 Ca 0.32 0.78 -0.08 0.00 0.12 0.00 0.00 56.93 58.08 1x5j s PHE 83 Cb -0.09 0.07 0.06 0.00 -0.57 0.00 0.00 43.02 42.50 1x5j s PHE 83 CO 0.25 -0.21 0.37 -1.12 -0.10 0.00 0.00 175.22 174.40 1x5j s SER 84 N 0.97 -0.33 -0.20 1.36 0.01 -1.02 -2.00 113.70 112.48 1x5j s SER 84 Ca -0.07 0.82 -0.04 0.00 1.31 0.00 0.00 55.95 57.98 1x5j s SER 84 Cb -0.08 0.82 -0.01 0.00 0.21 0.00 0.00 66.02 66.95 1x5j s SER 84 CO -0.06 -0.20 -0.04 -0.69 0.41 0.00 0.00 173.24 172.65 1x5j s VAL 85 N 1.73 3.48 0.24 3.43 1.01 -1.26 -1.61 120.40 127.41 1x5j s VAL 85 Ca -0.07 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1x5j s VAL 85 Cb -0.10 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1x5j s VAL 85 CO -0.12 0.44 -0.13 0.00 0.00 0.00 0.00 175.10 175.29 1x5j s MET 86 N 1.18 1.45 -0.06 2.72 0.23 -1.21 -3.81 119.30 119.80 1x5j s MET 86 Ca 0.02 -1.67 0.04 0.00 -1.03 0.00 0.00 55.69 53.04 1x5j s MET 86 Cb -0.14 -1.24 -0.02 0.00 -1.53 0.00 0.00 34.83 31.90 1x5j s MET 86 CO -0.01 0.17 -0.17 0.54 -2.03 0.00 0.00 175.02 173.52 1x5j s VAL 87 N -2.91 2.82 -0.01 5.16 0.11 -1.26 -2.58 120.40 121.73 1x5j s VAL 87 Ca 0.26 -0.80 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 1x5j s VAL 87 Cb -0.00 -2.10 0.00 0.00 -1.53 0.00 0.00 36.38 32.75 1x5j s VAL 87 CO 0.10 0.57 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.49 1x5j s THR 88 N -0.43 0.47 -0.20 5.04 2.01 -1.20 -2.30 115.64 119.04 1x5j s THR 88 Ca 0.05 -0.22 0.14 0.00 0.31 0.00 0.00 61.69 61.97 1x5j s THR 88 Cb -0.12 -0.42 0.44 0.00 0.01 0.00 0.00 72.50 72.41 1x5j s THR 88 CO 0.02 0.15 1.33 2.29 -0.69 0.00 0.00 174.62 177.71 1x5j n LYS 89 N 3.15 1.94 0.00 4.92 2.85 -0.48 -3.53 118.16 127.02 1x5j n LYS 89 Ca -0.16 -2.94 0.00 0.00 -1.05 0.00 0.00 58.31 54.16 1x5j n LYS 89 Cb 0.56 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 1x5j n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1x5j n GLY 90 N -1.04 2.03 0.11 2.58 0.00 -1.26 -4.56 105.19 103.05 1x5j n GLY 90 Ca 0.23 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 0.70 -3.78 1.61 5.12 -1.26 -4.97 116.66 114.07 1x5j n ARG 91 Ca 0.00 0.06 -0.29 0.00 -1.93 0.00 0.00 57.85 55.69 1x5j n ARG 91 Cb 0.00 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 29.75 1x5j n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x5j s ARG 92 N -2.49 3.51 0.22 5.56 1.81 -1.26 -5.11 118.95 121.19 1x5j s ARG 92 Ca -0.21 -0.35 -0.22 0.00 -1.72 0.00 0.00 55.73 53.23 1x5j s ARG 92 Cb 0.07 -2.91 0.04 0.00 -0.45 0.00 0.00 34.95 31.71 1x5j s ARG 92 CO 0.71 0.48 0.76 -1.54 -0.68 0.00 0.00 175.30 175.04 1x5j s SER 93 N -2.86 -0.29 0.22 0.23 1.04 -1.26 -1.38 113.70 109.39 1x5j s SER 93 Ca 0.38 -0.45 0.11 0.00 0.48 0.00 0.00 55.95 56.47 1x5j s SER 93 Cb -0.12 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1x5j s SER 93 CO 0.28 -1.17 -0.17 -0.94 0.98 0.00 0.00 173.24 172.22 1x5j s SER 94 N -2.88 3.78 1.46 7.02 1.04 -0.97 -3.30 113.70 119.84 1x5j s SER 94 Ca 0.09 -0.82 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 1x5j s SER 94 Cb -0.04 -0.44 0.38 0.00 0.10 0.00 0.00 66.02 66.02 1x5j s SER 94 CO 0.02 0.08 0.89 1.07 0.98 0.00 0.00 173.24 176.29 1x5j n THR 95 N -0.14 0.00 -2.75 2.02 5.66 -1.26 -4.56 114.28 113.25 1x5j n THR 95 Ca -0.09 -0.07 -0.43 0.00 -3.05 0.00 0.00 64.05 60.41 1x5j n THR 95 Cb 0.57 -1.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.32 1x5j n THR 95 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1x5j s TRP 96 N -2.15 3.10 1.07 1.09 0.52 -1.26 -4.60 118.94 116.71 1x5j s TRP 96 Ca 0.68 0.93 -0.17 0.00 0.02 0.00 0.00 56.10 57.56 1x5j s TRP 96 Cb -0.14 -3.66 0.13 0.00 -1.15 0.00 0.00 33.47 28.65 1x5j s TRP 96 CO 0.58 -0.80 0.11 -1.13 0.02 0.00 0.00 176.95 175.73 1x5j n SER 97 N 6.81 -2.80 -4.41 2.95 3.41 -1.25 -4.64 113.62 113.70 1x5j n SER 97 Ca 0.09 -0.29 -0.53 0.00 -0.26 0.00 0.00 58.87 57.89 1x5j n SER 97 Cb 0.48 -0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 63.52 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 -1.80 0.86 -1.62 4.33 0.00 -1.26 -4.79 117.12 112.84 1x5j n MET 98 Ca 0.04 0.23 -0.40 0.00 0.00 0.00 0.00 57.70 57.57 1x5j n MET 98 Cb 0.49 -2.26 -0.03 0.00 0.00 0.00 0.00 33.22 31.42 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 7.00 3.04 -0.10 3.17 2.01 -1.26 -4.86 115.64 124.65 1x5j s THR 99 Ca 1.12 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.94 1x5j s THR 99 Cb -0.99 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1x5j s THR 99 CO 0.53 -0.06 0.63 0.00 -0.69 0.00 0.00 174.62 175.03 1x5j s ALA 100 N 9.74 3.41 -0.23 7.40 0.00 -0.85 -4.87 121.76 136.35 1x5j s ALA 100 Ca 0.97 -0.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 1x5j s ALA 100 Cb -0.26 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1x5j s ALA 100 CO 0.31 -0.15 0.39 -1.01 0.00 0.00 0.00 175.76 175.31 1x5j s HIS 101 N 0.93 3.31 -0.19 0.00 3.76 -1.26 -2.38 115.29 119.45 1x5j s HIS 101 Ca 0.33 0.53 0.01 0.00 -0.15 0.00 0.00 55.06 55.78 1x5j s HIS 101 Cb -0.17 -2.56 0.04 0.00 1.11 0.00 0.00 32.58 31.00 1x5j s HIS 101 CO 0.15 -0.12 -0.13 0.20 -0.85 0.00 0.00 174.74 173.99 1x5j s GLY 102 N 1.32 1.31 -0.42 -2.22 0.00 -1.13 -4.95 107.32 101.22 1x5j s GLY 102 Ca 0.17 -1.23 -0.16 0.00 0.00 0.00 0.00 44.72 43.51 1x5j s GLY 102 CO 0.09 0.58 0.39 -1.59 0.00 0.00 0.00 173.10 172.56 1x5j s THR 103 N 1.36 5.16 1.30 0.90 2.01 -1.26 -3.66 115.64 121.44 1x5j s THR 103 Ca 0.00 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.29 1x5j s THR 103 Cb -0.15 -4.01 0.33 0.00 0.01 0.00 0.00 72.50 68.67 1x5j s THR 103 CO -0.09 -0.41 0.97 0.42 -0.69 0.00 0.00 174.62 174.82 1x5j s THR 104 N 1.94 1.64 0.59 -0.82 -4.23 -1.26 -4.94 115.64 108.56 1x5j s THR 104 Ca 0.09 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1x5j s THR 104 Cb -0.18 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 1x5j s THR 104 CO 0.12 0.00 0.93 -0.36 -0.54 0.00 0.00 174.62 174.77 1x5j s PHE 105 N -2.34 3.44 0.20 3.99 0.08 -1.26 -3.59 117.98 118.51 1x5j s PHE 105 Ca 0.69 0.91 -0.30 0.00 0.12 0.00 0.00 56.93 58.35 1x5j s PHE 105 Cb -0.20 -2.67 -0.08 0.00 -0.57 0.00 0.00 43.02 39.50 1x5j s PHE 105 CO 0.62 -0.70 1.16 -1.83 -0.10 0.00 0.00 175.22 174.37 1x5j s GLU 106 N -5.03 4.54 -0.17 0.44 -1.05 -1.26 -1.69 118.70 114.48 1x5j s GLU 106 Ca 0.53 1.83 -0.16 0.00 -0.15 0.00 0.00 54.97 57.02 1x5j s GLU 106 Cb -0.11 -3.24 -0.05 0.00 -0.44 0.00 0.00 34.13 30.29 1x5j s GLU 106 CO 0.48 0.00 -0.31 -0.11 0.95 0.00 0.00 175.26 176.27 1x5j n LEU 107 N 2.19 1.91 -0.34 1.83 7.94 -1.26 -4.57 117.00 124.70 1x5j n LEU 107 Ca 0.03 0.39 -0.01 0.00 -1.11 0.00 0.00 56.01 55.31 1x5j n LEU 107 Cb 0.45 -0.77 0.04 0.00 0.53 0.00 0.00 43.42 43.67 1x5j n LEU 107 CO 0.55 -0.31 0.52 -0.24 -1.11 0.00 0.00 177.39 176.81 1x5j n SER 108 N -4.49 -0.57 0.00 1.96 2.88 -1.26 -4.92 113.62 107.22 1x5j n SER 108 Ca -0.13 1.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 1x5j n SER 108 Cb 0.47 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.42 1.74 3.66 0.46 0.00 -1.26 -5.04 105.19 103.32 1x5j n GLY 109 Ca 0.09 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.52 0.10 0.11 1.61 0.04 -1.26 -5.06 135.00 128.01 1x5j s PRO 110 Ca 0.00 0.41 0.03 0.00 0.04 0.00 0.00 61.00 61.48 1x5j s PRO 110 Cb 0.00 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 1x5j s PRO 110 CO 0.00 -2.93 0.15 0.45 0.04 0.00 0.00 177.00 174.71 1x5j s SER 111 N -3.51 5.80 -0.01 6.66 0.15 -1.26 -5.04 113.70 116.48 1x5j s SER 111 Ca 0.66 0.04 -0.35 0.00 0.70 0.00 0.00 55.95 57.00 1x5j s SER 111 Cb -0.17 -1.62 -0.13 0.00 -1.71 0.00 0.00 66.02 62.38 1x5j s SER 111 CO 0.57 0.13 1.75 -1.54 1.20 0.00 0.00 173.24 175.35 1x5j n SER 112 N 0.06 3.19 0.00 5.45 3.41 -1.26 -5.35 113.62 119.12 1x5j n SER 112 Ca -0.08 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1x5j n SER 112 Cb 0.53 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1x5j n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49