#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 0.07 -0.03 1.61 1.04 -1.26 -5.16 113.70 109.98 1x5j s SER 2 Ca 0.00 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.12 1x5j s SER 2 Cb 0.00 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1x5j s SER 2 CO 0.00 -0.42 -0.03 -0.44 0.98 0.00 0.00 173.24 173.34 1x5j s SER 3 N -1.63 0.61 -0.71 7.02 0.01 -1.26 -5.07 113.70 112.67 1x5j s SER 3 Ca -0.12 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.10 1x5j s SER 3 Cb -0.06 -0.25 0.30 0.00 0.21 0.00 0.00 66.02 66.22 1x5j s SER 3 CO -0.00 -0.04 1.03 0.61 0.41 0.00 0.00 173.24 175.24 1x5j n GLY 4 N 3.77 5.32 3.84 3.44 0.00 -1.26 -5.02 105.19 115.27 1x5j n GLY 4 Ca -0.23 -2.75 -0.07 0.00 0.00 0.00 0.00 46.02 42.98 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 -2.67 -0.19 -0.15 1.61 1.04 -1.26 -5.10 113.70 106.98 1x5j s SER 5 Ca 0.42 -0.68 -0.14 0.00 0.48 0.00 0.00 55.95 56.03 1x5j s SER 5 Cb 0.19 0.71 -0.05 0.00 0.10 0.00 0.00 66.02 66.98 1x5j s SER 5 CO -0.06 -1.34 -0.27 -1.54 0.98 0.00 0.00 173.24 171.01 1x5j n SER 6 N -0.66 1.64 -2.66 7.02 3.41 -1.26 -5.01 113.62 116.11 1x5j n SER 6 Ca -0.05 0.35 -0.04 0.00 -0.26 0.00 0.00 58.87 58.87 1x5j n SER 6 Cb 0.59 -0.73 0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1x5j n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5j n GLY 7 N 1.50 -1.92 3.68 5.00 0.00 -1.26 -5.17 105.19 107.02 1x5j n GLY 7 Ca -0.11 1.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.77 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 0.22 0.45 0.95 1.61 0.04 -1.26 -4.99 135.00 132.03 1x5j s PRO 8 Ca 0.25 0.53 -0.14 0.00 0.04 0.00 0.00 61.00 61.68 1x5j s PRO 8 Cb 0.19 -1.74 0.16 0.00 0.04 0.00 0.00 34.50 33.16 1x5j s PRO 8 CO -0.07 -2.72 1.20 -1.64 0.04 0.00 0.00 177.00 173.80 1x5j s MET 9 N -4.96 0.83 -0.09 4.56 -1.94 -1.25 -4.95 119.30 111.51 1x5j s MET 9 Ca 0.65 0.00 -0.19 0.00 -1.71 0.00 0.00 55.69 54.44 1x5j s MET 9 Cb -0.19 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.78 1x5j s MET 9 CO 0.58 -2.35 0.53 -1.64 -0.01 0.00 0.00 175.02 172.13 1x5j s MET 10 N -5.54 4.34 0.93 2.03 -1.94 -1.26 -4.26 119.30 113.60 1x5j s MET 10 Ca 0.67 0.57 -0.12 0.00 -1.71 0.00 0.00 55.69 55.10 1x5j s MET 10 Cb -0.10 -3.42 0.15 0.00 2.01 0.00 0.00 34.83 33.46 1x5j s MET 10 CO 0.53 0.18 1.09 -1.25 -0.01 0.00 0.00 175.02 175.56 1x5j s PRO 11 N 0.51 1.01 1.22 2.03 0.04 -1.26 -4.83 135.00 133.71 1x5j s PRO 11 Ca 0.29 0.73 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 1x5j s PRO 11 Cb -0.16 -1.79 0.29 0.00 0.04 0.00 0.00 34.50 32.89 1x5j s PRO 11 CO 0.13 -2.39 1.11 -1.25 0.04 0.00 0.00 177.00 174.64 1x5j s PRO 12 N -4.94 -1.35 0.35 0.56 0.04 -1.26 -4.76 135.00 123.63 1x5j s PRO 12 Ca 0.64 -0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 1x5j s PRO 12 Cb -0.18 -1.58 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1x5j s PRO 12 CO 0.57 -3.79 0.49 0.14 0.04 0.00 0.00 177.00 174.46 1x5j s VAL 13 N -3.01 0.00 -2.03 -0.36 -7.23 0.91 -4.72 120.40 103.97 1x5j s VAL 13 Ca 0.71 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1x5j s VAL 13 Cb -0.09 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1x5j s VAL 13 CO 0.56 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 1x5j n GLY 14 N -0.58 1.01 3.65 2.32 0.00 -1.26 0.06 105.19 110.39 1x5j n GLY 14 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.86 3.38 0.35 1.61 1.01 -1.26 -4.36 120.40 118.27 1x5j s VAL 15 Ca 0.00 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.52 1x5j s VAL 15 Cb 0.00 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 1x5j s VAL 15 CO 0.00 -0.06 -0.05 -1.58 0.00 0.00 0.00 175.10 173.41 1x5j s GLN 16 N 4.34 1.79 -0.29 2.72 0.74 -0.90 -4.80 119.66 123.27 1x5j s GLN 16 Ca 0.79 -1.95 -0.01 0.00 0.05 0.00 0.00 55.36 54.25 1x5j s GLN 16 Cb -0.36 -1.53 0.09 0.00 1.10 0.00 0.00 33.01 32.32 1x5j s GLN 16 CO 0.34 0.05 0.08 0.00 -0.55 0.00 0.00 175.29 175.21 1x5j s ALA 17 N -2.76 1.45 -0.01 1.58 0.00 -1.26 -3.84 121.76 116.92 1x5j s ALA 17 Ca 0.33 -1.48 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 1x5j s ALA 17 Cb 0.05 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1x5j s ALA 17 CO 0.16 -1.56 0.27 -1.12 0.00 0.00 0.00 175.76 173.51 1x5j s SER 18 N 1.66 6.52 -0.19 0.00 0.01 -0.68 -4.90 113.70 116.12 1x5j s SER 18 Ca 0.07 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 57.89 1x5j s SER 18 Cb -0.17 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1x5j s SER 18 CO -0.22 0.29 -0.03 -0.63 0.41 0.00 0.00 173.24 173.06 1x5j s ILE 19 N -1.23 3.72 -0.10 1.44 -1.09 -1.26 -2.11 121.20 120.57 1x5j s ILE 19 Ca 0.25 -0.40 -0.02 0.00 -2.23 0.00 0.00 60.65 58.26 1x5j s ILE 19 Cb -0.13 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 1x5j s ILE 19 CO 0.14 0.45 -0.11 0.18 -1.23 0.00 0.00 174.94 174.37 1x5j n LEU 20 N 4.16 2.01 -4.14 2.97 7.99 -1.09 -5.01 117.00 123.88 1x5j n LEU 20 Ca -0.17 0.03 -0.15 0.00 -0.01 0.00 0.00 56.01 55.70 1x5j n LEU 20 Cb 0.52 -0.32 -0.06 0.00 -0.11 0.00 0.00 43.42 43.45 1x5j n LEU 20 CO 0.31 0.47 0.04 -0.44 -1.51 0.00 0.00 177.39 176.26 1x5j s SER 21 N -5.36 0.99 0.57 -1.43 0.01 -1.07 -4.96 113.70 102.46 1x5j s SER 21 Ca -0.13 -1.52 0.37 0.00 1.31 0.00 0.00 55.95 55.98 1x5j s SER 21 Cb 0.04 0.61 1.77 0.00 0.21 0.00 0.00 66.02 68.65 1x5j s SER 21 CO 0.20 -1.19 2.11 1.12 0.41 0.00 0.00 173.24 175.90 1x5j h HIS 22 N 2.17 0.00 0.00 2.43 2.07 -1.93 -2.76 115.15 117.14 1x5j h HIS 22 Ca -0.28 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.20 1x5j h HIS 22 Cb 1.24 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.14 1x5j h HIS 22 CO 1.38 0.00 -0.48 -3.47 -3.07 0.00 0.00 177.93 172.29 1x5j n ASP 23 N -2.99 1.08 -3.91 3.10 -0.08 -1.26 -3.96 116.55 108.52 1x5j n ASP 23 Ca -0.01 -2.57 -0.18 0.00 -1.51 0.00 0.00 54.79 50.53 1x5j n ASP 23 Cb 0.19 -0.33 -0.15 0.00 2.34 0.00 0.00 41.12 43.17 1x5j n ASP 23 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1x5j s THR 24 N -1.24 0.44 -0.23 5.18 2.01 -1.04 -2.64 115.64 118.13 1x5j s THR 24 Ca 0.21 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.96 1x5j s THR 24 Cb 0.21 -0.44 0.08 0.00 0.01 0.00 0.00 72.50 72.37 1x5j s THR 24 CO -0.04 0.17 0.54 -0.63 -0.69 0.00 0.00 174.62 173.97 1x5j s ILE 25 N 0.47 -0.32 -0.13 1.82 1.01 -0.76 -2.60 121.20 120.69 1x5j s ILE 25 Ca -0.06 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.53 1x5j s ILE 25 Cb -0.09 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 1x5j s ILE 25 CO -0.00 0.03 0.30 -0.60 0.00 0.00 0.00 174.94 174.66 1x5j s ARG 26 N 1.99 4.10 -0.27 2.79 3.52 -0.90 0.47 118.95 130.66 1x5j s ARG 26 Ca -0.07 0.13 0.02 0.00 -0.13 0.00 0.00 55.73 55.68 1x5j s ARG 26 Cb -0.09 -3.36 0.07 0.00 -1.56 0.00 0.00 34.95 30.01 1x5j s ARG 26 CO -0.16 0.38 -0.04 0.42 -0.81 0.00 0.00 175.30 175.08 1x5j s ILE 27 N 0.03 1.82 0.19 4.11 -1.09 0.57 -1.69 121.20 125.14 1x5j s ILE 27 Ca 0.18 -1.56 0.07 0.00 -2.23 0.00 0.00 60.65 57.10 1x5j s ILE 27 Cb -0.14 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 1x5j s ILE 27 CO 0.06 -0.20 0.07 0.42 -1.23 0.00 0.00 174.94 174.06 1x5j s THR 28 N 1.23 4.07 0.36 2.92 -4.23 -1.25 -0.03 115.64 118.70 1x5j s THR 28 Ca -0.03 -1.34 -0.09 0.00 -1.18 0.00 0.00 61.69 59.05 1x5j s THR 28 Cb -0.19 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.60 1x5j s THR 28 CO -0.07 -0.17 0.63 -2.67 -0.54 0.00 0.00 174.62 171.80 1x5j n TRP 29 N -0.41 -1.93 -3.86 3.99 2.14 -1.14 -2.11 117.44 114.11 1x5j n TRP 29 Ca -0.09 -1.95 -0.12 0.00 2.07 0.00 0.00 57.50 57.42 1x5j n TRP 29 Cb 0.56 0.73 -0.12 0.00 -0.81 0.00 0.00 31.31 31.67 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 -2.30 -0.24 -0.10 -1.67 0.00 0.11 -4.75 121.76 112.81 1x5j s ALA 30 Ca 0.20 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.20 1x5j s ALA 30 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1x5j s ALA 30 CO 0.15 -0.11 -0.01 0.34 0.00 0.00 0.00 175.76 176.13 1x5j s ASP 31 N -0.56 5.12 0.14 0.00 -1.08 -1.26 -0.06 116.67 118.97 1x5j s ASP 31 Ca -0.06 0.08 0.14 0.00 -0.52 0.00 0.00 52.55 52.18 1x5j s ASP 31 Cb -0.04 -1.52 -0.09 0.00 -1.46 0.00 0.00 42.92 39.82 1x5j s ASP 31 CO 0.00 0.33 1.11 0.78 0.52 0.00 0.00 175.17 177.91 1x5j h ASN 32 N 5.52 0.00 -0.27 -0.34 4.21 -1.92 -3.34 115.58 119.43 1x5j h ASN 32 Ca -0.46 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.07 1x5j h ASN 32 Cb 1.19 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.36 1x5j h ASN 32 CO 0.56 0.66 0.11 0.77 -1.29 0.00 0.00 177.43 178.24 1x5j h SER 33 N 0.00 0.13 -3.01 5.81 4.64 -1.94 -3.43 113.55 115.75 1x5j h SER 33 Ca -0.09 0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.67 1x5j h SER 33 Cb 1.59 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.82 1x5j h SER 33 CO 0.07 0.11 0.02 0.18 -0.87 0.00 0.00 176.83 176.34 1x5j n LEU 34 N -5.01 2.20 0.00 5.97 4.77 -1.26 -4.98 117.00 118.69 1x5j n LEU 34 Ca -0.01 0.95 -0.27 0.00 -0.03 0.00 0.00 56.01 56.65 1x5j n LEU 34 Cb 0.09 -1.30 0.23 0.00 -2.33 0.00 0.00 43.42 40.10 1x5j n LEU 34 CO 0.30 -1.90 0.55 -0.81 -1.33 0.00 0.00 177.39 174.20 1x5j n PRO 35 N 0.02 -2.98 -0.31 3.23 -0.04 -1.26 -4.87 135.00 128.80 1x5j n PRO 35 Ca 0.11 -1.59 0.07 0.00 -0.04 0.00 0.00 63.50 62.05 1x5j n PRO 35 Cb 0.41 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.53 1x5j n PRO 35 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1x5j n LYS 36 N -4.56 -0.08 -2.70 0.54 2.85 -1.26 -3.93 118.16 109.03 1x5j n LYS 36 Ca 0.14 1.34 -0.43 0.00 -1.05 0.00 0.00 58.31 58.31 1x5j n LYS 36 Cb 0.54 -2.04 -0.02 0.00 -0.65 0.00 0.00 35.03 32.85 1x5j n LYS 36 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 1x5j s HIS 37 N -6.02 3.25 -1.10 5.58 -3.43 -1.26 -4.96 115.29 107.35 1x5j s HIS 37 Ca -0.13 1.26 -0.22 0.00 -0.80 0.00 0.00 55.06 55.18 1x5j s HIS 37 Cb 0.24 -3.42 0.00 0.00 -1.43 0.00 0.00 32.58 27.97 1x5j s HIS 37 CO 0.68 -0.60 1.74 -0.65 -2.00 0.00 0.00 174.74 173.91 1x5j s GLN 38 N 3.33 3.22 -0.23 -0.38 -1.52 -1.25 -4.86 119.66 117.97 1x5j s GLN 38 Ca 0.43 -1.16 -0.03 0.00 -1.95 0.00 0.00 55.36 52.64 1x5j s GLN 38 Cb -0.14 -5.31 0.10 0.00 -0.22 0.00 0.00 33.01 27.44 1x5j s GLN 38 CO 0.11 -2.87 0.22 0.15 -0.25 0.00 0.00 175.29 172.64 1x5j s LYS 39 N 5.58 0.21 -0.26 2.91 1.02 -1.26 -5.10 119.74 122.84 1x5j s LYS 39 Ca 0.58 0.05 -0.29 0.00 0.02 0.00 0.00 55.97 56.34 1x5j s LYS 39 Cb -0.01 -1.11 -0.06 0.00 -0.52 0.00 0.00 37.83 36.13 1x5j s LYS 39 CO 0.02 -0.77 2.24 -0.89 -0.92 0.00 0.00 175.35 175.03 1x5j n ILE 40 N 5.31 0.29 -2.54 2.17 5.41 -1.26 -4.83 119.36 123.91 1x5j n ILE 40 Ca -0.05 -0.47 -0.13 0.00 1.00 0.00 0.00 62.75 63.10 1x5j n ILE 40 Cb 0.48 -2.49 0.03 0.00 -0.71 0.00 0.00 39.64 36.95 1x5j n ILE 40 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1x5j n THR 41 N 7.73 1.69 -4.29 1.39 -2.24 -1.26 -5.08 114.28 112.23 1x5j n THR 41 Ca 0.32 -3.62 -0.15 0.00 -2.27 0.00 0.00 64.05 58.33 1x5j n THR 41 Cb 0.43 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 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 -3.54 1.45 -1.37 3.42 2.15 -1.26 -5.06 116.67 112.46 1x5j s ASP 42 Ca 0.36 -1.22 -0.06 0.00 0.43 0.00 0.00 52.55 52.06 1x5j s ASP 42 Cb 0.39 0.08 0.09 0.00 -0.30 0.00 0.00 42.92 43.18 1x5j s ASP 42 CO -0.03 -0.57 2.46 -1.20 -0.17 0.00 0.00 175.17 175.66 1x5j n SER 43 N -0.34 8.08 -4.34 -0.34 7.64 -1.26 -4.91 113.62 118.16 1x5j n SER 43 Ca -0.05 -3.06 -0.19 0.00 1.01 0.00 0.00 58.87 56.58 1x5j n SER 43 Cb 0.64 -1.39 -0.10 0.00 -1.01 0.00 0.00 64.21 62.34 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 -0.62 1.56 0.02 1.43 1.04 -1.26 -4.89 118.95 116.22 1x5j s ARG 44 Ca 0.56 -1.87 -0.06 0.00 -1.04 0.00 0.00 55.73 53.33 1x5j s ARG 44 Cb 0.18 -0.53 -0.01 0.00 -2.04 0.00 0.00 34.95 32.56 1x5j s ARG 44 CO -0.09 -0.27 0.10 1.52 -0.04 0.00 0.00 175.30 176.52 1x5j s TYR 45 N -3.52 0.13 0.07 5.89 1.13 -1.23 -4.92 117.35 114.91 1x5j s TYR 45 Ca 0.36 -0.32 -0.01 0.00 -1.41 0.00 0.00 57.07 55.69 1x5j s TYR 45 Cb 0.08 -0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.79 1x5j s TYR 45 CO 0.15 -0.30 0.24 0.71 -2.51 0.00 0.00 175.55 173.83 1x5j s TYR 46 N -1.83 3.51 -0.28 -3.49 2.02 -1.25 -2.70 117.35 113.34 1x5j s TYR 46 Ca -0.12 0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.89 1x5j s TYR 46 Cb -0.06 -1.80 0.09 0.00 -0.40 0.00 0.00 41.96 39.78 1x5j s TYR 46 CO -0.01 0.57 0.05 0.99 -1.57 0.00 0.00 175.55 175.58 1x5j s THR 47 N -1.52 1.16 -0.33 -0.71 2.01 -0.37 -3.30 115.64 112.58 1x5j s THR 47 Ca 0.36 -1.38 -0.16 0.00 0.31 0.00 0.00 61.69 60.81 1x5j s THR 47 Cb -0.13 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 1x5j s THR 47 CO 0.27 -0.48 0.43 -0.69 -0.69 0.00 0.00 174.62 173.46 1x5j s VAL 48 N 1.50 5.10 0.01 3.82 1.01 -1.08 -2.80 120.40 127.95 1x5j s VAL 48 Ca 0.05 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1x5j s VAL 48 Cb -0.18 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1x5j s VAL 48 CO -0.16 -0.10 0.12 0.00 0.00 0.00 0.00 175.10 174.95 1x5j s ARG 49 N 2.19 3.18 -0.09 2.72 1.70 -1.06 -1.53 118.95 126.07 1x5j s ARG 49 Ca 0.15 -0.45 -0.13 0.00 -0.47 0.00 0.00 55.73 54.83 1x5j s ARG 49 Cb -0.16 -2.93 0.03 0.00 -0.57 0.00 0.00 34.95 31.32 1x5j s ARG 49 CO 0.12 0.65 0.34 1.67 -1.08 0.00 0.00 175.30 176.99 1x5j s TRP 50 N -1.27 -0.31 0.30 5.89 -2.14 -1.25 -2.56 118.94 117.60 1x5j s TRP 50 Ca 0.25 0.70 0.07 0.00 2.66 0.00 0.00 56.10 59.78 1x5j s TRP 50 Cb -0.12 0.12 -0.03 0.00 -3.10 0.00 0.00 33.47 30.34 1x5j s TRP 50 CO 0.17 -0.26 0.25 0.36 -2.66 0.00 0.00 176.95 174.81 1x5j n LYS 51 N 2.30 0.38 -3.88 3.25 2.85 -1.22 -2.50 118.16 119.34 1x5j n LYS 51 Ca -0.16 -3.02 -0.36 0.00 -1.05 0.00 0.00 58.31 53.73 1x5j n LYS 51 Cb 0.57 2.44 -0.08 0.00 -0.65 0.00 0.00 35.03 37.31 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 -3.21 5.28 0.41 0.58 -4.23 -1.26 -2.28 115.64 110.93 1x5j s THR 52 Ca 0.35 0.13 0.18 0.00 -1.18 0.00 0.00 61.69 61.17 1x5j s THR 52 Cb 0.02 -3.35 0.19 0.00 1.34 0.00 0.00 72.50 70.70 1x5j s THR 52 CO 0.25 0.53 1.96 -1.13 -0.54 0.00 0.00 174.62 175.69 1x5j h ASN 53 N 5.88 0.00 -3.26 3.99 -0.73 -1.27 -3.41 115.58 116.78 1x5j h ASN 53 Ca -0.47 0.00 -0.55 0.00 1.87 0.00 0.00 56.30 57.15 1x5j h ASN 53 Cb 1.19 0.00 -0.35 0.00 0.27 0.00 0.00 38.32 39.43 1x5j h ASN 53 CO 0.66 0.22 -0.82 -0.63 -0.37 0.00 0.00 177.43 176.49 1x5j s ILE 54 N -4.38 1.27 0.00 2.57 -1.09 -1.26 -3.35 121.20 114.96 1x5j s ILE 54 Ca -0.03 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 1x5j s ILE 54 Cb 0.15 -1.20 0.00 0.00 -1.58 0.00 0.00 42.46 39.83 1x5j s ILE 54 CO 0.67 0.40 0.00 -0.81 -1.23 0.00 0.00 174.94 173.97 1x5j n PRO 55 N 4.41 -0.89 -0.06 2.79 -0.04 -1.26 -5.10 135.00 134.86 1x5j n PRO 55 Ca -0.18 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.24 1x5j n PRO 55 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.00 -1.31 0.55 0.00 -1.83 -3.42 119.26 111.24 1x5j h ALA 56 Ca 0.00 -0.17 -0.56 0.00 0.00 0.00 0.00 54.91 54.18 1x5j h ALA 56 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 1x5j h ALA 56 CO 0.00 -0.00 1.15 0.54 0.00 0.00 0.00 179.25 180.94 1x5j s ASN 57 N -5.77 6.25 0.29 0.00 2.20 -1.26 -4.96 114.94 111.69 1x5j s ASN 57 Ca -0.06 -0.74 0.03 0.00 -0.94 0.00 0.00 52.86 51.15 1x5j s ASN 57 Cb -0.01 -2.56 -0.04 0.00 -2.00 0.00 0.00 41.25 36.64 1x5j s ASN 57 CO 0.23 -1.74 0.14 0.42 -2.94 0.00 0.00 177.10 173.22 1x5j s THR 58 N 5.47 0.41 0.36 0.54 -4.23 -1.26 -5.15 115.64 111.77 1x5j s THR 58 Ca 0.37 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 1x5j s THR 58 Cb -0.06 -2.54 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 1x5j s THR 58 CO 0.08 0.00 0.78 -0.54 -0.54 0.00 0.00 174.62 174.40 1x5j s LYS 59 N -3.88 3.98 -0.05 3.99 -0.14 -1.26 -5.04 119.74 117.33 1x5j s LYS 59 Ca 0.36 0.69 -0.09 0.00 -1.36 0.00 0.00 55.97 55.57 1x5j s LYS 59 Cb 0.06 -2.38 -0.05 0.00 -1.68 0.00 0.00 37.83 33.78 1x5j s LYS 59 CO 0.16 0.07 0.26 0.71 -0.76 0.00 0.00 175.35 175.79 1x5j s TYR 60 N -2.12 3.63 0.32 3.18 2.02 -1.26 -4.71 117.35 118.41 1x5j s TYR 60 Ca 0.55 0.68 0.05 0.00 -0.37 0.00 0.00 57.07 57.97 1x5j s TYR 60 Cb -0.10 -2.06 0.05 0.00 -0.40 0.00 0.00 41.96 39.46 1x5j s TYR 60 CO 0.20 0.67 0.44 1.63 -1.57 0.00 0.00 175.55 176.93 1x5j n LYS 61 N 1.68 0.74 -3.54 -0.62 5.02 -1.04 -4.95 118.16 115.44 1x5j n LYS 61 Ca -0.16 -1.67 -0.16 0.00 -2.02 0.00 0.00 58.31 54.30 1x5j n LYS 61 Cb 0.54 -0.15 -0.06 0.00 -0.02 0.00 0.00 35.03 35.34 1x5j n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x5j s ASN 62 N -2.97 -0.60 -0.02 4.39 2.20 -1.26 -3.80 114.94 112.88 1x5j s ASN 62 Ca 0.33 0.72 0.00 0.00 -0.94 0.00 0.00 52.86 52.98 1x5j s ASN 62 Cb -0.03 0.58 0.03 0.00 -2.00 0.00 0.00 41.25 39.83 1x5j s ASN 62 CO 0.21 -0.51 0.01 0.00 -2.94 0.00 0.00 177.10 173.87 1x5j s ALA 63 N -1.01 0.19 -0.29 3.54 0.00 -0.58 -4.95 121.76 118.67 1x5j s ALA 63 Ca -0.08 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 1x5j s ALA 63 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1x5j s ALA 63 CO 0.07 -0.08 0.43 -0.80 0.00 0.00 0.00 175.76 175.39 1x5j s ASN 64 N 0.96 6.30 -0.30 0.00 0.02 -1.26 -2.65 114.94 118.01 1x5j s ASN 64 Ca -0.09 0.25 -0.09 0.00 -1.02 0.00 0.00 52.86 51.91 1x5j s ASN 64 Cb -0.12 -2.24 0.15 0.00 0.02 0.00 0.00 41.25 39.06 1x5j s ASN 64 CO -0.02 -0.27 0.71 0.00 0.02 0.00 0.00 177.10 177.54 1x5j s ALA 65 N 2.18 -2.27 -0.77 0.60 0.00 -1.21 -5.06 121.76 115.23 1x5j s ALA 65 Ca 0.17 2.14 -0.22 0.00 0.00 0.00 0.00 51.96 54.05 1x5j s ALA 65 Cb -0.16 -1.95 0.08 0.00 0.00 0.00 0.00 23.12 21.09 1x5j s ALA 65 CO 0.10 -1.05 1.10 0.95 0.00 0.00 0.00 175.76 176.86 1x5j s THR 66 N 2.82 4.28 -0.01 0.00 -4.23 -1.26 -3.77 115.64 113.47 1x5j s THR 66 Ca 0.01 -0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.67 1x5j s THR 66 Cb -0.12 -4.78 0.12 0.00 1.34 0.00 0.00 72.50 69.06 1x5j s THR 66 CO -0.19 -1.58 1.28 0.28 -0.54 0.00 0.00 174.62 173.87 1x5j s THR 67 N 4.11 0.00 -0.38 3.99 -1.32 -1.26 -5.02 115.64 115.77 1x5j s THR 67 Ca 0.29 -0.23 0.06 0.00 -1.21 0.00 0.00 61.69 60.59 1x5j s THR 67 Cb -0.11 -2.14 0.62 0.00 -1.51 0.00 0.00 72.50 69.36 1x5j s THR 67 CO 0.04 0.00 1.76 0.18 -2.21 0.00 0.00 174.62 174.39 1x5j n LEU 68 N -0.55 6.03 -3.44 9.08 4.77 -1.26 -4.84 117.00 126.80 1x5j n LEU 68 Ca -0.07 -3.18 0.02 0.00 -0.03 0.00 0.00 56.01 52.74 1x5j n LEU 68 Cb 0.62 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1x5j n LEU 68 CO 0.13 0.89 0.83 -0.94 -1.33 0.00 0.00 177.39 176.96 1x5j s SER 69 N -0.94 -0.26 -0.07 -1.43 1.04 -1.26 -2.88 113.70 107.90 1x5j s SER 69 Ca 0.50 0.38 0.03 0.00 0.48 0.00 0.00 55.95 57.34 1x5j s SER 69 Cb 0.41 1.22 0.01 0.00 0.10 0.00 0.00 66.02 67.75 1x5j s SER 69 CO 0.11 -0.06 -0.17 -0.47 0.98 0.00 0.00 173.24 173.63 1x5j s TYR 70 N 1.73 1.90 -0.35 5.02 5.04 0.95 -4.98 117.35 126.67 1x5j s TYR 70 Ca -0.04 -0.71 -0.14 0.00 -2.44 0.00 0.00 57.07 53.74 1x5j s TYR 70 Cb -0.03 -1.32 -0.01 0.00 0.35 0.00 0.00 41.96 40.95 1x5j s TYR 70 CO -0.14 -0.30 0.31 -1.17 -1.34 0.00 0.00 175.55 172.90 1x5j s LEU 71 N 0.42 4.52 0.06 6.97 2.96 -1.26 -0.32 118.68 132.03 1x5j s LEU 71 Ca -0.14 -0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.12 1x5j s LEU 71 Cb -0.16 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1x5j s LEU 71 CO 0.05 -0.31 0.92 -0.69 -1.32 0.00 0.00 176.35 175.01 1x5j s VAL 72 N 1.88 4.67 -0.00 1.68 1.01 0.18 -4.94 120.40 124.87 1x5j s VAL 72 Ca 0.09 1.96 0.03 0.00 0.00 0.00 0.00 61.98 64.06 1x5j s VAL 72 Cb -0.17 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1x5j s VAL 72 CO 0.11 0.28 -0.10 0.42 0.00 0.00 0.00 175.10 175.81 1x5j s THR 73 N 0.32 0.77 0.00 3.92 -4.23 -1.26 -1.83 115.64 113.34 1x5j s THR 73 Ca 0.46 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1x5j s THR 73 Cb -0.22 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 72.97 1x5j s THR 73 CO 0.28 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 1x5j n GLY 74 N 2.78 0.88 3.37 3.99 0.00 -1.08 -5.05 105.19 110.08 1x5j n GLY 74 Ca -0.14 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.20 2.54 0.16 0.99 1.43 -1.26 -5.09 118.68 117.26 1x5j s LEU 75 Ca 0.00 -1.00 -0.20 0.00 -1.03 0.00 0.00 54.13 51.91 1x5j s LEU 75 Cb 0.00 -0.78 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 1x5j s LEU 75 CO 0.00 -0.11 0.67 -0.54 0.23 0.00 0.00 176.35 176.60 1x5j s LYS 76 N -3.49 4.25 0.53 1.70 1.02 -1.26 -4.36 119.74 118.13 1x5j s LYS 76 Ca 0.23 0.83 -0.20 0.00 0.02 0.00 0.00 55.97 56.85 1x5j s LYS 76 Cb -0.02 -3.04 -0.06 0.00 -0.52 0.00 0.00 37.83 34.18 1x5j s LYS 76 CO 0.08 0.50 1.14 -1.25 -0.92 0.00 0.00 175.35 174.90 1x5j s PRO 77 N -1.62 3.43 -1.27 -1.68 0.04 -1.25 -3.75 135.00 128.90 1x5j s PRO 77 Ca 0.38 1.64 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 1x5j s PRO 77 Cb -0.18 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 1x5j s PRO 77 CO 0.21 -0.79 0.63 -1.71 0.04 0.00 0.00 177.00 175.38 1x5j n ASN 78 N -1.15 -2.78 -3.87 6.66 5.15 -1.12 -4.88 115.26 113.27 1x5j n ASN 78 Ca 0.11 -0.99 -0.10 0.00 -0.60 0.00 0.00 54.58 52.99 1x5j n ASN 78 Cb 0.50 -3.31 -0.09 0.00 -0.53 0.00 0.00 39.78 36.35 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 -3.69 0.12 -0.26 -0.44 2.01 -1.25 -4.98 115.64 107.14 1x5j s THR 79 Ca 0.23 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 1x5j s THR 79 Cb -0.08 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1x5j s THR 79 CO 0.87 -0.52 0.17 -0.22 -0.69 0.00 0.00 174.62 174.23 1x5j s LEU 80 N -2.07 4.01 0.28 4.42 2.96 -1.26 -3.16 118.68 123.85 1x5j s LEU 80 Ca -0.05 0.01 0.12 0.00 -0.22 0.00 0.00 54.13 53.99 1x5j s LEU 80 Cb -0.01 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1x5j s LEU 80 CO -0.04 -0.01 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.50 1x5j s TYR 81 N 1.52 2.34 -0.05 5.38 1.51 -1.24 -0.70 117.35 126.12 1x5j s TYR 81 Ca 0.07 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1x5j s TYR 81 Cb -0.15 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1x5j s TYR 81 CO 0.08 0.71 0.02 -1.21 -1.11 0.00 0.00 175.55 174.04 1x5j s GLU 82 N -3.53 2.96 -0.04 -0.62 2.02 -0.97 -3.41 118.70 115.11 1x5j s GLU 82 Ca 0.30 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1x5j s GLU 82 Cb -0.05 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.42 1x5j s GLU 82 CO 0.16 0.67 -0.00 -0.06 0.02 0.00 0.00 175.26 176.05 1x5j s PHE 83 N -1.01 0.40 0.11 1.61 0.08 -1.05 -3.43 117.98 114.69 1x5j s PHE 83 Ca 0.17 -0.03 -0.10 0.00 0.12 0.00 0.00 56.93 57.09 1x5j s PHE 83 Cb -0.12 -0.48 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 1x5j s PHE 83 CO 0.07 -0.16 0.23 -1.54 -0.10 0.00 0.00 175.22 173.72 1x5j s SER 84 N 1.13 0.06 0.04 1.36 1.04 -1.06 -0.95 113.70 115.32 1x5j s SER 84 Ca -0.08 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.73 1x5j s SER 84 Cb -0.13 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 1x5j s SER 84 CO -0.02 -0.77 -0.09 -0.69 0.98 0.00 0.00 173.24 172.64 1x5j s VAL 85 N -3.87 0.70 0.04 5.02 1.01 -1.26 -2.57 120.40 119.46 1x5j s VAL 85 Ca 0.07 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 1x5j s VAL 85 Cb 0.04 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1x5j s VAL 85 CO -0.09 -0.24 0.33 0.00 0.00 0.00 0.00 175.10 175.10 1x5j s MET 86 N -1.35 0.82 0.03 2.72 0.23 -1.12 -2.77 119.30 117.86 1x5j s MET 86 Ca -0.05 -0.46 0.03 0.00 -1.03 0.00 0.00 55.69 54.18 1x5j s MET 86 Cb -0.09 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.54 1x5j s MET 86 CO 0.01 -0.27 -0.03 0.54 -2.03 0.00 0.00 175.02 173.24 1x5j s VAL 87 N -2.46 3.89 -0.00 5.16 0.11 -1.26 -1.23 120.40 124.60 1x5j s VAL 87 Ca -0.06 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1x5j s VAL 87 Cb -0.01 -2.75 -0.01 0.00 -1.53 0.00 0.00 36.38 32.08 1x5j s VAL 87 CO -0.03 0.31 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.10 1x5j s THR 88 N -1.11 0.53 -0.45 5.04 2.01 -1.10 -1.99 115.64 118.58 1x5j s THR 88 Ca 0.20 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.94 1x5j s THR 88 Cb -0.11 -0.46 0.40 0.00 0.01 0.00 0.00 72.50 72.33 1x5j s THR 88 CO 0.11 0.11 0.98 0.29 -0.69 0.00 0.00 174.62 175.42 1x5j n LYS 89 N 2.80 2.59 0.00 4.92 4.76 -0.11 -3.51 118.16 129.62 1x5j n LYS 89 Ca -0.14 -4.21 0.00 0.00 -2.87 0.00 0.00 58.31 51.09 1x5j n LYS 89 Cb 0.57 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 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 -0.23 2.22 0.03 0.72 0.00 -1.26 -3.49 105.19 103.18 1x5j n GLY 90 Ca 0.29 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1x5j n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x5j n ARG 91 N 0.00 0.67 -3.45 1.61 0.63 -1.26 -4.96 116.66 109.90 1x5j n ARG 91 Ca 0.00 -0.15 -0.29 0.00 -0.92 0.00 0.00 57.85 56.50 1x5j n ARG 91 Cb 0.00 -1.52 -0.03 0.00 0.45 0.00 0.00 32.46 31.36 1x5j n ARG 91 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x5j s ARG 92 N -3.22 3.61 -0.05 -0.14 1.81 -1.23 -5.10 118.95 114.63 1x5j s ARG 92 Ca -0.08 -0.07 -0.31 0.00 -1.72 0.00 0.00 55.73 53.55 1x5j s ARG 92 Cb 0.12 -2.71 0.07 0.00 -0.45 0.00 0.00 34.95 31.98 1x5j s ARG 92 CO 0.88 0.28 0.67 -1.54 -0.68 0.00 0.00 175.30 174.91 1x5j s SER 93 N -3.07 -0.65 0.37 0.23 1.04 -1.26 -0.94 113.70 109.42 1x5j s SER 93 Ca 0.43 0.71 0.07 0.00 0.48 0.00 0.00 55.95 57.64 1x5j s SER 93 Cb -0.11 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1x5j s SER 93 CO 0.29 -0.61 0.36 -0.94 0.98 0.00 0.00 173.24 173.32 1x5j s SER 94 N -1.19 5.33 1.14 7.02 1.04 -0.84 -3.76 113.70 122.43 1x5j s SER 94 Ca -0.11 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 55.69 1x5j s SER 94 Cb -0.00 -0.86 0.16 0.00 0.10 0.00 0.00 66.02 65.42 1x5j s SER 94 CO 0.10 -0.48 0.54 0.35 0.98 0.00 0.00 173.24 174.72 1x5j n THR 95 N -1.50 0.00 -3.38 2.02 -2.24 -1.26 -4.64 114.28 103.28 1x5j n THR 95 Ca 0.01 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1x5j n THR 95 Cb 0.60 -1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 67.69 1x5j n THR 95 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1x5j s TRP 96 N -1.95 3.20 1.11 4.78 0.52 -1.26 -4.62 118.94 120.72 1x5j s TRP 96 Ca 0.36 -0.32 -0.19 0.00 0.02 0.00 0.00 56.10 55.96 1x5j s TRP 96 Cb -0.04 -2.75 0.09 0.00 -1.15 0.00 0.00 33.47 29.62 1x5j s TRP 96 CO 0.28 -0.59 -0.08 -1.13 0.02 0.00 0.00 176.95 175.44 1x5j n SER 97 N 5.43 -2.41 -4.62 2.95 3.41 -1.11 -4.71 113.62 112.56 1x5j n SER 97 Ca -0.09 -0.11 -0.61 0.00 -0.26 0.00 0.00 58.87 57.81 1x5j n SER 97 Cb 0.48 -0.93 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 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 -1.79 0.28 -2.43 4.33 0.00 -1.26 -4.67 117.12 111.58 1x5j n MET 98 Ca 0.01 0.10 -0.43 0.00 0.00 0.00 0.00 57.70 57.38 1x5j n MET 98 Cb 0.63 -1.64 -0.02 0.00 0.00 0.00 0.00 33.22 32.19 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 1.42 4.10 -0.33 3.17 2.01 -1.26 -4.81 115.64 119.94 1x5j s THR 99 Ca 0.95 1.21 -0.22 0.00 0.31 0.00 0.00 61.69 63.94 1x5j s THR 99 Cb -1.28 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 67.02 1x5j s THR 99 CO 0.65 -0.59 0.72 0.00 -0.69 0.00 0.00 174.62 174.71 1x5j s ALA 100 N 4.62 3.49 -0.13 7.40 0.00 -0.12 -4.88 121.76 132.13 1x5j s ALA 100 Ca 0.56 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 1x5j s ALA 100 Cb -0.15 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1x5j s ALA 100 CO 0.26 -1.27 0.34 -1.01 0.00 0.00 0.00 175.76 174.08 1x5j s HIS 101 N 2.86 3.50 -0.02 0.00 3.76 -1.26 -2.52 115.29 121.60 1x5j s HIS 101 Ca 0.29 0.70 -0.00 0.00 -0.15 0.00 0.00 55.06 55.89 1x5j s HIS 101 Cb -0.14 -2.37 0.03 0.00 1.11 0.00 0.00 32.58 31.21 1x5j s HIS 101 CO 0.14 0.28 0.03 0.20 -0.85 0.00 0.00 174.74 174.54 1x5j s GLY 102 N 0.30 0.11 -0.16 -2.22 0.00 -1.22 -4.93 107.32 99.21 1x5j s GLY 102 Ca 0.19 0.30 -0.14 0.00 0.00 0.00 0.00 44.72 45.07 1x5j s GLY 102 CO 0.06 0.79 0.28 -1.59 0.00 0.00 0.00 173.10 172.65 1x5j s THR 103 N 1.23 5.31 0.62 0.90 2.01 -1.26 -3.59 115.64 120.86 1x5j s THR 103 Ca -0.07 0.53 -0.13 0.00 0.31 0.00 0.00 61.69 62.33 1x5j s THR 103 Cb -0.13 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1x5j s THR 103 CO -0.03 0.39 1.04 0.42 -0.69 0.00 0.00 174.62 175.74 1x5j s THR 104 N 0.49 4.31 0.76 -0.82 -4.23 -1.19 -4.95 115.64 110.01 1x5j s THR 104 Ca 0.16 0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 61.43 1x5j s THR 104 Cb -0.13 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.15 1x5j s THR 104 CO 0.03 -0.87 1.08 -0.36 -0.54 0.00 0.00 174.62 173.97 1x5j s PHE 105 N -2.92 2.78 0.25 3.99 0.08 -1.26 -2.79 117.98 118.11 1x5j s PHE 105 Ca 0.58 1.42 -0.30 0.00 0.12 0.00 0.00 56.93 58.76 1x5j s PHE 105 Cb -0.13 -3.01 -0.09 0.00 -0.57 0.00 0.00 43.02 39.23 1x5j s PHE 105 CO 0.47 -1.65 1.20 -1.21 -0.10 0.00 0.00 175.22 173.92 1x5j s GLU 106 N -4.99 4.51 -0.19 0.44 2.02 -1.26 -2.90 118.70 116.33 1x5j s GLU 106 Ca 0.60 1.93 -0.09 0.00 0.02 0.00 0.00 54.97 57.43 1x5j s GLU 106 Cb -0.16 -3.19 -0.08 0.00 0.10 0.00 0.00 34.13 30.80 1x5j s GLU 106 CO 0.56 -0.02 -0.24 -0.11 0.02 0.00 0.00 175.26 175.47 1x5j n LEU 107 N 1.76 1.37 -0.32 1.80 7.94 -1.26 -4.64 117.00 123.65 1x5j n LEU 107 Ca 0.02 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1x5j n LEU 107 Cb 0.44 -0.55 0.05 0.00 0.53 0.00 0.00 43.42 43.89 1x5j n LEU 107 CO 0.56 0.40 0.51 -1.54 -1.11 0.00 0.00 177.39 176.21 1x5j n SER 108 N -3.81 -0.50 -4.66 1.96 3.41 -1.26 -4.47 113.62 104.29 1x5j n SER 108 Ca -0.37 1.48 -0.23 0.00 -0.26 0.00 0.00 58.87 59.49 1x5j n SER 108 Cb 0.76 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 1x5j n SER 108 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5j s GLY 109 N -3.68 1.73 0.18 5.00 0.00 -1.26 -5.10 107.32 104.19 1x5j s GLY 109 Ca -0.12 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 42.59 1x5j s GLY 109 CO 0.62 -1.74 1.32 2.56 0.00 0.00 0.00 173.10 175.86 1x5j s PRO 110 N -3.71 4.38 0.00 2.90 0.04 -1.26 -4.84 135.00 132.51 1x5j s PRO 110 Ca 0.33 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1x5j s PRO 110 Cb -0.05 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1x5j s PRO 110 CO 0.20 -0.28 0.00 0.43 0.04 0.00 0.00 177.00 177.39 1x5j n SER 111 N 2.92 0.82 -3.89 6.66 7.64 -1.26 -4.96 113.62 121.55 1x5j n SER 111 Ca 0.07 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.66 1x5j n SER 111 Cb 0.43 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.50 1x5j n SER 111 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5j s SER 112 N -4.64 4.38 0.00 6.43 0.01 -1.26 -5.16 113.70 113.46 1x5j s SER 112 Ca 0.00 -3.33 0.24 0.00 1.31 0.00 0.00 55.95 54.17 1x5j s SER 112 Cb 0.00 -1.56 0.21 0.00 0.21 0.00 0.00 66.02 64.88 1x5j s SER 112 CO 0.00 -0.17 1.27 0.61 0.41 0.00 0.00 173.24 175.36