#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 -0.59 0.51 1.61 0.15 -1.26 -5.15 113.70 108.97 1x5j s SER 2 Ca 0.00 1.04 -0.19 0.00 0.70 0.00 0.00 55.95 57.50 1x5j s SER 2 Cb 0.00 0.96 -0.12 0.00 -1.71 0.00 0.00 66.02 65.15 1x5j s SER 2 CO 0.00 -0.19 0.25 -0.24 1.20 0.00 0.00 173.24 174.25 1x5j n SER 3 N 3.79 -2.15 -4.75 5.45 2.88 -1.26 -4.89 113.62 112.68 1x5j n SER 3 Ca -0.19 0.74 -0.33 0.00 -1.33 0.00 0.00 58.87 57.75 1x5j n SER 3 Cb 0.56 -1.02 0.07 0.00 -0.75 0.00 0.00 64.21 63.07 1x5j n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5j s GLY 4 N -1.06 2.11 -0.10 0.46 0.00 -1.26 -5.03 107.32 102.44 1x5j s GLY 4 Ca 0.63 0.58 -0.03 0.00 0.00 0.00 0.00 44.72 45.90 1x5j s GLY 4 CO 0.60 0.95 0.04 -1.35 0.00 0.00 0.00 173.10 173.34 1x5j s SER 5 N -2.57 5.55 -0.21 1.64 1.04 -1.26 -5.08 113.70 112.81 1x5j s SER 5 Ca 0.68 0.23 -0.29 0.00 0.48 0.00 0.00 55.95 57.05 1x5j s SER 5 Cb -0.22 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.26 1x5j s SER 5 CO 0.45 0.38 1.05 -0.94 0.98 0.00 0.00 173.24 175.17 1x5j s SER 6 N -0.90 7.11 0.00 7.02 1.04 -1.26 -4.54 113.70 122.17 1x5j s SER 6 Ca 0.13 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.99 1x5j s SER 6 Cb -0.12 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1x5j s SER 6 CO 0.03 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1x5j n GLY 7 N 3.31 -1.39 3.71 7.32 0.00 -1.26 -5.15 105.19 111.73 1x5j n GLY 7 Ca 0.12 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 1.05 0.67 1.61 0.04 -1.26 -4.99 135.00 132.12 1x5j s PRO 8 Ca 0.00 0.74 -0.17 0.00 0.04 0.00 0.00 61.00 61.61 1x5j s PRO 8 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1x5j s PRO 8 CO 0.00 -2.37 1.25 -1.33 0.04 0.00 0.00 177.00 174.59 1x5j n MET 9 N -3.96 0.94 -3.01 4.56 2.81 -1.02 -4.95 117.12 112.49 1x5j n MET 9 Ca 0.07 0.38 -0.42 0.00 -1.81 0.00 0.00 57.70 55.92 1x5j n MET 9 Cb 0.56 -2.48 -0.06 0.00 -0.71 0.00 0.00 33.22 30.53 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 -3.44 3.94 1.00 0.03 -1.94 -1.26 -4.26 119.30 113.38 1x5j s MET 10 Ca 0.81 0.48 -0.12 0.00 -1.71 0.00 0.00 55.69 55.14 1x5j s MET 10 Cb -0.37 -3.72 0.19 0.00 2.01 0.00 0.00 34.83 32.94 1x5j s MET 10 CO 0.42 -0.63 1.09 -1.25 -0.01 0.00 0.00 175.02 174.65 1x5j s PRO 11 N 2.81 0.43 1.17 2.03 0.04 -1.26 -4.92 135.00 135.29 1x5j s PRO 11 Ca 0.29 0.52 -0.18 0.00 0.04 0.00 0.00 61.00 61.68 1x5j s PRO 11 Cb -0.14 -1.74 0.27 0.00 0.04 0.00 0.00 34.50 32.93 1x5j s PRO 11 CO 0.12 -2.74 1.11 -1.25 0.04 0.00 0.00 177.00 174.28 1x5j s PRO 12 N -4.96 -0.97 0.24 0.56 0.04 -1.26 -4.90 135.00 123.75 1x5j s PRO 12 Ca 0.65 0.03 -0.06 0.00 0.04 0.00 0.00 61.00 61.66 1x5j s PRO 12 Cb -0.19 -1.62 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 1x5j s PRO 12 CO 0.58 -3.56 0.31 0.14 0.04 0.00 0.00 177.00 174.51 1x5j s VAL 13 N -3.00 0.00 -1.00 -0.36 -7.23 -0.13 -4.77 120.40 103.91 1x5j s VAL 13 Ca 0.70 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1x5j s VAL 13 Cb -0.11 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.44 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 -0.35 0.64 3.62 2.32 0.00 -1.26 -0.22 105.19 109.94 1x5j n GLY 14 Ca 0.01 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.44 3.02 0.41 1.61 1.01 -1.26 -4.45 120.40 118.31 1x5j s VAL 15 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1x5j s VAL 15 Cb 0.00 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 1x5j s VAL 15 CO 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 175.10 175.11 1x5j s GLN 16 N 5.68 1.95 -0.22 2.72 -2.07 -1.17 -4.72 119.66 121.83 1x5j s GLN 16 Ca 0.96 -2.14 -0.04 0.00 -1.82 0.00 0.00 55.36 52.32 1x5j s GLN 16 Cb -0.36 -1.47 0.08 0.00 -1.09 0.00 0.00 33.01 30.18 1x5j s GLN 16 CO 0.37 -0.14 0.14 0.00 -1.32 0.00 0.00 175.29 174.34 1x5j s ALA 17 N -2.85 0.26 -0.25 2.60 0.00 -1.26 -3.98 121.76 116.29 1x5j s ALA 17 Ca 0.30 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.69 1x5j s ALA 17 Cb 0.08 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1x5j s ALA 17 CO 0.15 -1.34 0.53 0.45 0.00 0.00 0.00 175.76 175.55 1x5j s SER 18 N 2.18 6.47 -0.94 0.00 0.15 -0.07 -4.91 113.70 116.58 1x5j s SER 18 Ca 0.05 0.57 -0.20 0.00 0.70 0.00 0.00 55.95 57.07 1x5j s SER 18 Cb -0.16 -2.29 0.12 0.00 -1.71 0.00 0.00 66.02 61.98 1x5j s SER 18 CO -0.18 -0.28 1.18 -0.63 1.20 0.00 0.00 173.24 174.52 1x5j s ILE 19 N 2.24 4.58 -0.00 6.45 -1.09 -1.26 -1.33 121.20 130.79 1x5j s ILE 19 Ca 0.22 -1.41 -0.15 0.00 -2.23 0.00 0.00 60.65 57.08 1x5j s ILE 19 Cb -0.16 -4.82 -0.34 0.00 -1.58 0.00 0.00 42.46 35.56 1x5j s ILE 19 CO 0.09 -1.58 0.87 -0.07 -1.23 0.00 0.00 174.94 173.02 1x5j h LEU 20 N 10.83 0.74 -8.29 2.97 3.38 -1.89 -3.49 115.31 119.56 1x5j h LEU 20 Ca 0.15 -0.93 -0.10 0.00 0.09 0.00 0.00 57.88 57.10 1x5j h LEU 20 Cb 1.02 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 1x5j h LEU 20 CO 1.16 1.72 -0.12 -0.55 0.09 0.00 0.00 178.44 180.74 1x5j s SER 21 N -7.45 0.10 0.54 -0.43 0.15 -0.92 -4.96 113.70 100.74 1x5j s SER 21 Ca -0.12 -1.06 0.21 0.00 0.70 0.00 0.00 55.95 55.69 1x5j s SER 21 Cb 0.04 0.61 1.46 0.00 -1.71 0.00 0.00 66.02 66.42 1x5j s SER 21 CO 0.91 -1.19 2.18 1.12 1.20 0.00 0.00 173.24 177.45 1x5j h HIS 22 N 2.22 0.00 0.00 3.44 2.07 -1.93 -2.31 115.15 118.64 1x5j h HIS 22 Ca -0.27 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.23 1x5j h HIS 22 Cb 1.25 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.18 1x5j h HIS 22 CO 0.65 0.02 -0.45 -0.40 -3.07 0.00 0.00 177.93 174.68 1x5j n ASP 23 N -4.25 1.67 -3.75 3.10 5.75 -1.26 -4.19 116.55 113.63 1x5j n ASP 23 Ca -0.03 -3.34 -0.15 0.00 -0.01 0.00 0.00 54.79 51.26 1x5j n ASP 23 Cb 0.10 -0.46 -0.16 0.00 -1.03 0.00 0.00 41.12 39.58 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 -2.53 -0.07 -0.08 2.12 2.01 -0.87 -2.26 115.64 113.96 1x5j s THR 24 Ca 0.34 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.52 1x5j s THR 24 Cb 0.33 -0.12 0.03 0.00 0.01 0.00 0.00 72.50 72.75 1x5j s THR 24 CO -0.05 0.10 0.21 -0.63 -0.69 0.00 0.00 174.62 173.55 1x5j s ILE 25 N 1.25 -0.02 -0.17 1.82 1.01 -0.99 -2.15 121.20 121.95 1x5j s ILE 25 Ca -0.07 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 1x5j s ILE 25 Cb -0.13 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1x5j s ILE 25 CO -0.04 0.03 0.06 -0.60 0.00 0.00 0.00 174.94 174.39 1x5j s ARG 26 N 0.57 3.89 -0.29 2.79 3.52 -0.44 -1.89 118.95 127.10 1x5j s ARG 26 Ca -0.04 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.25 1x5j s ARG 26 Cb -0.05 -3.18 0.08 0.00 -1.56 0.00 0.00 34.95 30.23 1x5j s ARG 26 CO -0.03 0.33 -0.04 0.42 -0.81 0.00 0.00 175.30 175.17 1x5j s ILE 27 N 0.21 2.13 -0.12 4.11 -1.09 0.84 -0.90 121.20 126.39 1x5j s ILE 27 Ca 0.04 -1.88 0.01 0.00 -2.23 0.00 0.00 60.65 56.58 1x5j s ILE 27 Cb -0.12 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.35 1x5j s ILE 27 CO 0.00 -0.28 -0.15 0.42 -1.23 0.00 0.00 174.94 173.71 1x5j s THR 28 N 1.06 2.92 0.39 2.92 -4.23 -1.26 -0.50 115.64 116.94 1x5j s THR 28 Ca -0.00 -0.71 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1x5j s THR 28 Cb -0.19 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 1x5j s THR 28 CO -0.07 0.53 0.17 -1.66 -0.54 0.00 0.00 174.62 173.06 1x5j s TRP 29 N 0.30 1.77 -0.01 3.99 -2.14 -0.98 -3.06 118.94 118.81 1x5j s TRP 29 Ca -0.11 -1.40 0.03 0.00 2.66 0.00 0.00 56.10 57.28 1x5j s TRP 29 Cb -0.16 -1.03 -0.01 0.00 -3.10 0.00 0.00 33.47 29.17 1x5j s TRP 29 CO 0.06 -0.46 -0.09 0.00 -2.66 0.00 0.00 176.95 173.79 1x5j s ALA 30 N -3.27 0.80 -0.55 2.67 0.00 0.70 -4.79 121.76 117.30 1x5j s ALA 30 Ca 0.28 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1x5j s ALA 30 Cb 0.02 -0.21 0.14 0.00 0.00 0.00 0.00 23.12 23.07 1x5j s ALA 30 CO 0.18 0.19 0.32 0.34 0.00 0.00 0.00 175.76 176.79 1x5j s ASP 31 N -0.20 4.72 0.36 0.00 2.15 -1.26 -0.95 116.67 121.50 1x5j s ASP 31 Ca 0.03 -2.90 0.15 0.00 0.43 0.00 0.00 52.55 50.27 1x5j s ASP 31 Cb -0.04 -1.73 1.03 0.00 -0.30 0.00 0.00 42.92 41.88 1x5j s ASP 31 CO -0.00 -0.30 1.74 0.78 -0.17 0.00 0.00 175.17 177.22 1x5j h ASN 32 N 6.79 0.53 -1.00 -0.34 2.35 -1.95 -0.28 115.58 121.68 1x5j h ASN 32 Ca -0.05 0.11 0.35 0.00 -0.55 0.00 0.00 56.30 56.16 1x5j h ASN 32 Cb 0.92 0.03 -0.18 0.00 0.05 0.00 0.00 38.32 39.14 1x5j h ASN 32 CO 0.69 0.07 0.28 0.28 -1.65 0.00 0.00 177.43 177.10 1x5j h SER 33 N 0.45 -0.08 -3.40 5.81 0.02 -1.92 -3.40 113.55 111.03 1x5j h SER 33 Ca 0.64 0.27 -0.55 0.00 -0.84 0.00 0.00 61.79 61.30 1x5j h SER 33 Cb 1.46 0.38 0.19 0.00 0.14 0.00 0.00 62.40 64.57 1x5j h SER 33 CO -0.39 -0.40 -0.30 0.18 -1.14 0.00 0.00 176.83 174.78 1x5j n LEU 34 N -5.37 1.32 0.00 5.07 4.77 -0.12 -4.99 117.00 117.67 1x5j n LEU 34 Ca 0.31 0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1x5j n LEU 34 Cb 1.02 -1.26 0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1x5j n LEU 34 CO -0.03 -2.93 0.25 -0.81 -1.33 0.00 0.00 177.39 172.53 1x5j n PRO 35 N -1.23 -1.90 -0.28 3.23 -0.04 -1.26 -4.85 135.00 128.66 1x5j n PRO 35 Ca 0.10 -0.72 0.04 0.00 -0.04 0.00 0.00 63.50 62.89 1x5j n PRO 35 Cb 0.50 -0.67 0.10 0.00 -0.04 0.00 0.00 33.50 33.39 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 -2.88 -0.08 -2.85 0.54 4.81 -1.26 -4.40 118.16 112.03 1x5j n LYS 36 Ca 0.06 1.22 -0.20 0.00 -0.87 0.00 0.00 58.31 58.53 1x5j n LYS 36 Cb 0.24 -1.83 0.04 0.00 0.02 0.00 0.00 35.03 33.51 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 -5.97 2.32 -1.04 5.64 -3.43 -1.26 -5.05 115.29 106.50 1x5j s HIS 37 Ca -0.12 -0.35 -0.06 0.00 -0.80 0.00 0.00 55.06 53.74 1x5j s HIS 37 Cb 0.21 -2.54 0.27 0.00 -1.43 0.00 0.00 32.58 29.09 1x5j s HIS 37 CO 0.61 -0.91 1.10 1.04 -2.00 0.00 0.00 174.74 174.57 1x5j n GLN 38 N -2.23 3.48 -3.88 -0.38 3.00 -1.26 -4.88 117.38 111.23 1x5j n GLN 38 Ca 0.11 -4.49 -0.30 0.00 -0.01 0.00 0.00 57.00 52.31 1x5j n GLN 38 Cb 0.60 -2.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.20 1x5j n GLN 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1x5j s LYS 39 N -1.65 1.59 -0.96 -1.09 2.36 -1.26 -5.04 119.74 113.68 1x5j s LYS 39 Ca 0.31 -2.18 -0.25 0.00 -2.55 0.00 0.00 55.97 51.29 1x5j s LYS 39 Cb -0.06 -2.91 -0.13 0.00 -1.05 0.00 0.00 37.83 33.69 1x5j s LYS 39 CO -0.05 -1.08 2.13 0.42 1.55 0.00 0.00 175.35 178.31 1x5j s ILE 40 N 0.27 3.23 -0.72 5.43 1.01 -1.26 -4.81 121.20 124.35 1x5j s ILE 40 Ca 0.15 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.56 1x5j s ILE 40 Cb -0.24 -3.81 0.24 0.00 0.01 0.00 0.00 42.46 38.66 1x5j s ILE 40 CO -0.03 -0.46 0.77 1.07 0.00 0.00 0.00 174.94 176.29 1x5j n THR 41 N 8.43 2.57 -3.87 2.92 5.66 -1.26 -5.03 114.28 123.70 1x5j n THR 41 Ca 0.43 -5.22 -0.05 0.00 -3.05 0.00 0.00 64.05 56.17 1x5j n THR 41 Cb 0.46 -2.14 0.02 0.00 -1.55 0.00 0.00 70.33 67.12 1x5j n THR 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1x5j s ASP 42 N -2.01 0.03 -1.22 1.09 2.15 -1.26 -5.07 116.67 110.37 1x5j s ASP 42 Ca 0.35 -0.86 -0.08 0.00 0.43 0.00 0.00 52.55 52.39 1x5j s ASP 42 Cb 0.08 0.61 0.21 0.00 -0.30 0.00 0.00 42.92 43.52 1x5j s ASP 42 CO -0.04 -1.23 1.73 -0.24 -0.17 0.00 0.00 175.17 175.23 1x5j n SER 43 N -1.38 5.45 -3.78 -0.34 2.88 -1.26 -4.92 113.62 110.27 1x5j n SER 43 Ca -0.04 -3.18 -0.16 0.00 -1.33 0.00 0.00 58.87 54.15 1x5j n SER 43 Cb 0.59 -1.43 -0.16 0.00 -0.75 0.00 0.00 64.21 62.46 1x5j n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5j s ARG 44 N -0.39 0.10 -0.01 -1.46 1.70 -1.26 -4.67 118.95 112.96 1x5j s ARG 44 Ca 0.37 0.16 0.04 0.00 -0.47 0.00 0.00 55.73 55.84 1x5j s ARG 44 Cb 0.07 -0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.04 1x5j s ARG 44 CO 0.03 -0.18 -0.11 1.52 -1.08 0.00 0.00 175.30 175.49 1x5j s TYR 45 N 1.18 2.79 -0.20 5.89 1.13 -1.23 -4.95 117.35 121.97 1x5j s TYR 45 Ca -0.08 -0.10 -0.11 0.00 -1.41 0.00 0.00 57.07 55.37 1x5j s TYR 45 Cb -0.13 -1.60 -0.05 0.00 -1.10 0.00 0.00 41.96 39.08 1x5j s TYR 45 CO -0.03 0.31 0.19 0.71 -2.51 0.00 0.00 175.55 174.22 1x5j s TYR 46 N -0.90 3.40 -0.28 -3.49 2.02 -1.22 -3.31 117.35 113.58 1x5j s TYR 46 Ca 0.15 0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 57.20 1x5j s TYR 46 Cb -0.11 -2.25 0.02 0.00 -0.40 0.00 0.00 41.96 39.23 1x5j s TYR 46 CO 0.05 0.22 0.01 0.99 -1.57 0.00 0.00 175.55 175.25 1x5j s THR 47 N 0.56 3.38 -0.23 -0.71 2.01 -0.86 -2.77 115.64 117.03 1x5j s THR 47 Ca 0.11 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 1x5j s THR 47 Cb -0.12 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1x5j s THR 47 CO 0.01 0.10 0.12 -0.69 -0.69 0.00 0.00 174.62 173.48 1x5j s VAL 48 N 1.39 5.05 0.07 3.82 1.01 -1.25 -2.39 120.40 128.11 1x5j s VAL 48 Ca 0.01 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1x5j s VAL 48 Cb -0.17 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1x5j s VAL 48 CO -0.01 0.37 -0.07 0.00 0.00 0.00 0.00 175.10 175.38 1x5j s ARG 49 N 1.03 2.33 -0.11 2.72 1.70 -0.64 -2.44 118.95 123.54 1x5j s ARG 49 Ca 0.06 -0.90 -0.19 0.00 -0.47 0.00 0.00 55.73 54.23 1x5j s ARG 49 Cb -0.14 -2.40 0.05 0.00 -0.57 0.00 0.00 34.95 31.89 1x5j s ARG 49 CO 0.04 0.54 0.48 1.67 -1.08 0.00 0.00 175.30 176.95 1x5j s TRP 50 N -1.17 -0.47 0.31 5.89 -2.14 -0.84 -1.96 118.94 118.56 1x5j s TRP 50 Ca 0.21 0.99 -0.07 0.00 2.66 0.00 0.00 56.10 59.89 1x5j s TRP 50 Cb -0.11 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 1x5j s TRP 50 CO 0.13 -0.37 0.49 -1.59 -2.66 0.00 0.00 176.95 172.94 1x5j s LYS 51 N -0.48 1.78 -0.30 3.25 0.00 -1.22 -2.88 119.74 119.89 1x5j s LYS 51 Ca -0.06 -1.55 -0.15 0.00 0.00 0.00 0.00 55.97 54.21 1x5j s LYS 51 Cb -0.03 0.46 -0.03 0.00 0.00 0.00 0.00 37.83 38.23 1x5j s LYS 51 CO 0.04 -0.74 0.37 0.95 0.00 0.00 0.00 175.35 175.97 1x5j s THR 52 N -3.38 5.16 0.37 3.79 -4.23 -1.26 -1.52 115.64 114.57 1x5j s THR 52 Ca 0.27 0.36 0.22 0.00 -1.18 0.00 0.00 61.69 61.36 1x5j s THR 52 Cb -0.01 -3.75 0.36 0.00 1.34 0.00 0.00 72.50 70.44 1x5j s THR 52 CO 0.15 0.05 1.53 -3.20 -0.54 0.00 0.00 174.62 172.61 1x5j n ASN 53 N 5.37 0.32 -4.34 3.99 2.85 -1.06 -4.14 115.26 118.25 1x5j n ASN 53 Ca -0.09 1.57 -0.32 0.00 -0.11 0.00 0.00 54.58 55.64 1x5j n ASN 53 Cb 0.50 -0.77 -0.15 0.00 1.24 0.00 0.00 39.78 40.60 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 -5.44 2.45 0.50 -1.44 -1.09 -1.26 -2.10 121.20 112.82 1x5j s ILE 54 Ca -0.09 -0.93 -0.21 0.00 -2.23 0.00 0.00 60.65 57.19 1x5j s ILE 54 Cb 0.33 -1.93 -0.07 0.00 -1.58 0.00 0.00 42.46 39.21 1x5j s ILE 54 CO 0.76 0.57 1.15 -2.16 -1.23 0.00 0.00 174.94 174.03 1x5j s PRO 55 N -0.29 3.57 0.26 2.79 0.04 -1.26 -5.02 135.00 135.09 1x5j s PRO 55 Ca 0.01 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.78 1x5j s PRO 55 Cb -0.13 -2.21 0.70 0.00 0.04 0.00 0.00 34.50 32.89 1x5j s PRO 55 CO 0.03 -0.69 1.29 0.00 0.04 0.00 0.00 177.00 177.66 1x5j n ALA 56 N -0.88 0.48 -3.23 8.56 0.00 -0.89 -3.21 120.51 121.34 1x5j n ALA 56 Ca 0.09 0.88 -0.43 0.00 0.00 0.00 0.00 53.44 53.97 1x5j n ALA 56 Cb 0.49 -0.67 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 1x5j n ALA 56 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1x5j s ASN 57 N -4.95 5.98 0.10 0.00 -0.87 -1.26 -4.97 114.94 108.97 1x5j s ASN 57 Ca -0.10 -1.63 -0.00 0.00 -1.57 0.00 0.00 52.86 49.55 1x5j s ASN 57 Cb 0.25 -2.12 -0.04 0.00 -0.02 0.00 0.00 41.25 39.31 1x5j s ASN 57 CO 0.64 -0.71 -0.00 0.28 -2.57 0.00 0.00 177.10 174.74 1x5j s THR 58 N 1.53 0.29 0.51 1.60 -1.32 -1.20 -5.10 115.64 111.96 1x5j s THR 58 Ca 0.04 -1.88 -0.21 0.00 -1.21 0.00 0.00 61.69 58.42 1x5j s THR 58 Cb -0.26 -1.79 -0.06 0.00 -1.51 0.00 0.00 72.50 68.88 1x5j s THR 58 CO 0.03 -0.74 1.19 -1.59 -2.21 0.00 0.00 174.62 171.30 1x5j s LYS 59 N -3.95 3.46 -0.17 7.08 0.00 -1.26 -5.01 119.74 119.89 1x5j s LYS 59 Ca 0.15 1.82 -0.07 0.00 0.00 0.00 0.00 55.97 57.87 1x5j s LYS 59 Cb 0.07 -2.23 -0.04 0.00 0.00 0.00 0.00 37.83 35.63 1x5j s LYS 59 CO -0.04 -0.81 0.08 0.71 0.00 0.00 0.00 175.35 175.30 1x5j s TYR 60 N -1.56 3.33 0.02 1.78 1.51 -1.26 -4.76 117.35 116.41 1x5j s TYR 60 Ca 0.69 0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 56.94 1x5j s TYR 60 Cb -0.30 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 1x5j s TYR 60 CO 0.35 0.30 0.16 0.15 -1.11 0.00 0.00 175.55 175.40 1x5j s LYS 61 N 0.04 3.31 0.02 -0.62 1.02 -1.14 -4.98 119.74 117.39 1x5j s LYS 61 Ca 0.07 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.66 1x5j s LYS 61 Cb -0.12 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 1x5j s LYS 61 CO 0.00 0.64 -0.07 -0.80 -0.92 0.00 0.00 175.35 174.21 1x5j s ASN 62 N -2.07 0.78 0.44 2.83 -0.87 -1.26 -1.99 114.94 112.79 1x5j s ASN 62 Ca 0.28 -0.36 0.03 0.00 -1.57 0.00 0.00 52.86 51.25 1x5j s ASN 62 Cb -0.13 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.25 41.08 1x5j s ASN 62 CO 0.20 -0.09 0.12 0.00 -2.57 0.00 0.00 177.10 174.77 1x5j n ALA 63 N 2.08 0.57 -3.68 0.60 0.00 -1.02 -5.01 120.51 114.04 1x5j n ALA 63 Ca -0.19 -2.19 -0.31 0.00 0.00 0.00 0.00 53.44 50.75 1x5j n ALA 63 Cb 0.56 1.42 -0.17 0.00 0.00 0.00 0.00 19.45 21.26 1x5j n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x5j s ASN 64 N -3.65 2.94 -0.30 0.00 2.20 -1.26 -3.85 114.94 111.02 1x5j s ASN 64 Ca 0.17 -0.56 -0.08 0.00 -0.94 0.00 0.00 52.86 51.45 1x5j s ASN 64 Cb 0.01 -1.35 0.15 0.00 -2.00 0.00 0.00 41.25 38.06 1x5j s ASN 64 CO 0.12 0.06 0.70 0.00 -2.94 0.00 0.00 177.10 175.04 1x5j s ALA 65 N 0.88 -2.27 -0.68 3.54 0.00 -1.11 -5.06 121.76 117.06 1x5j s ALA 65 Ca -0.06 2.11 -0.18 0.00 0.00 0.00 0.00 51.96 53.83 1x5j s ALA 65 Cb -0.15 -1.97 0.13 0.00 0.00 0.00 0.00 23.12 21.13 1x5j s ALA 65 CO -0.02 -1.08 0.77 0.95 0.00 0.00 0.00 175.76 176.37 1x5j s THR 66 N 2.84 4.96 0.01 0.00 -4.23 -1.26 -3.39 115.64 114.57 1x5j s THR 66 Ca 0.03 -1.36 -0.20 0.00 -1.18 0.00 0.00 61.69 58.98 1x5j s THR 66 Cb -0.12 -4.52 0.07 0.00 1.34 0.00 0.00 72.50 69.26 1x5j s THR 66 CO -0.19 -1.15 0.92 1.07 -0.54 0.00 0.00 174.62 174.72 1x5j n THR 67 N 5.25 0.00 -0.59 3.99 5.66 -1.26 -5.00 114.28 122.33 1x5j n THR 67 Ca -0.01 -0.17 0.10 0.00 -3.05 0.00 0.00 64.05 60.92 1x5j n THR 67 Cb 0.44 0.45 0.36 0.00 -1.55 0.00 0.00 70.33 70.03 1x5j n THR 67 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1x5j n LEU 68 N 0.00 4.73 0.00 1.09 4.77 -1.26 -4.89 117.00 121.44 1x5j n LEU 68 Ca 0.02 -2.38 -0.08 0.00 -0.03 0.00 0.00 56.01 53.54 1x5j n LEU 68 Cb 0.43 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1x5j n LEU 68 CO 0.12 0.84 0.08 -1.54 -1.33 0.00 0.00 177.39 175.55 1x5j n SER 69 N 1.22 -0.68 -3.56 -1.43 3.41 -1.26 -2.31 113.62 109.02 1x5j n SER 69 Ca 0.26 -2.00 0.01 0.00 -0.26 0.00 0.00 58.87 56.88 1x5j n SER 69 Cb 0.87 1.28 -0.06 0.00 -0.26 0.00 0.00 64.21 66.05 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 -3.82 -0.34 -0.28 7.33 6.14 0.34 -4.96 117.35 121.77 1x5j s TYR 70 Ca 0.16 0.65 -0.03 0.00 0.64 0.00 0.00 57.07 58.49 1x5j s TYR 70 Cb -0.00 0.20 0.03 0.00 0.42 0.00 0.00 41.96 42.61 1x5j s TYR 70 CO 0.11 -0.17 -0.01 -1.17 0.64 0.00 0.00 175.55 174.96 1x5j s LEU 71 N 1.47 3.63 -0.03 6.97 1.98 -1.26 -0.11 118.68 131.33 1x5j s LEU 71 Ca -0.07 -1.03 -0.13 0.00 -2.89 0.00 0.00 54.13 50.01 1x5j s LEU 71 Cb -0.03 -1.72 -0.05 0.00 0.66 0.00 0.00 46.19 45.04 1x5j s LEU 71 CO -0.13 -0.20 0.36 -0.69 -1.89 0.00 0.00 176.35 173.79 1x5j s VAL 72 N 1.32 5.12 0.04 1.68 1.01 -0.79 -4.97 120.40 123.81 1x5j s VAL 72 Ca -0.02 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.70 1x5j s VAL 72 Cb -0.18 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1x5j s VAL 72 CO -0.02 0.58 -0.07 0.42 0.00 0.00 0.00 175.10 176.01 1x5j s THR 73 N -1.03 0.47 0.00 3.92 -4.23 -1.26 -2.35 115.64 111.17 1x5j s THR 73 Ca 0.22 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1x5j s THR 73 Cb -0.16 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 73.11 1x5j s THR 73 CO 0.11 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1x5j n GLY 74 N 1.46 0.66 3.52 3.99 0.00 -0.96 -5.02 105.19 108.84 1x5j n GLY 74 Ca -0.23 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.50 2.76 0.23 0.99 1.43 -1.26 -5.07 118.68 116.26 1x5j s LEU 75 Ca 0.00 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 1x5j s LEU 75 Cb 0.00 -1.25 -0.09 0.00 0.03 0.00 0.00 46.19 44.88 1x5j s LEU 75 CO 0.00 0.00 0.95 -0.54 0.23 0.00 0.00 176.35 177.00 1x5j s LYS 76 N -3.57 4.83 0.69 1.70 1.02 -1.26 -4.34 119.74 118.81 1x5j s LYS 76 Ca 0.31 1.51 -0.14 0.00 0.02 0.00 0.00 55.97 57.67 1x5j s LYS 76 Cb -0.05 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1x5j s LYS 76 CO 0.16 0.46 1.11 -1.25 -0.92 0.00 0.00 175.35 174.91 1x5j s PRO 77 N -1.06 2.67 -1.54 -1.68 0.04 -1.26 -3.66 135.00 128.51 1x5j s PRO 77 Ca 0.42 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1x5j s PRO 77 Cb -0.26 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1x5j s PRO 77 CO 0.32 -1.35 0.27 -1.71 0.04 0.00 0.00 177.00 174.58 1x5j n ASN 78 N -2.68 -0.13 -3.68 6.66 2.85 -0.57 -4.91 115.26 112.79 1x5j n ASN 78 Ca 0.10 -1.16 -0.19 0.00 -0.11 0.00 0.00 54.58 53.23 1x5j n ASN 78 Cb 0.52 -2.22 -0.17 0.00 1.24 0.00 0.00 39.78 39.15 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 -4.04 -0.14 0.10 -0.44 2.01 -1.24 -4.95 115.64 106.95 1x5j s THR 79 Ca 0.14 0.39 -0.31 0.00 0.31 0.00 0.00 61.69 62.22 1x5j s THR 79 Cb -0.08 -0.18 -0.08 0.00 0.01 0.00 0.00 72.50 72.17 1x5j s THR 79 CO 0.96 0.16 1.42 -0.22 -0.69 0.00 0.00 174.62 176.25 1x5j s LEU 80 N 2.07 4.36 0.29 4.42 2.96 -1.26 -3.63 118.68 127.90 1x5j s LEU 80 Ca 0.03 2.33 0.09 0.00 -0.22 0.00 0.00 54.13 56.36 1x5j s LEU 80 Cb -0.12 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1x5j s LEU 80 CO -0.04 -0.69 -0.11 -0.31 -1.32 0.00 0.00 176.35 173.88 1x5j s TYR 81 N 1.33 2.16 0.11 5.38 1.51 -0.96 -2.57 117.35 124.30 1x5j s TYR 81 Ca 0.65 -0.53 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 1x5j s TYR 81 Cb -0.37 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1x5j s TYR 81 CO 0.30 0.50 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.98 1x5j s GLU 82 N -3.63 2.32 -0.13 -0.62 8.01 -0.58 -2.85 118.70 121.23 1x5j s GLU 82 Ca 0.30 -0.97 -0.07 0.00 0.01 0.00 0.00 54.97 54.24 1x5j s GLU 82 Cb 0.01 -2.40 0.05 0.00 -4.31 0.00 0.00 34.13 27.48 1x5j s GLU 82 CO 0.14 0.51 0.30 -0.06 0.01 0.00 0.00 175.26 176.15 1x5j s PHE 83 N -1.33 -0.42 -0.06 1.61 0.40 -1.13 -3.41 117.98 113.64 1x5j s PHE 83 Ca 0.24 0.95 -0.09 0.00 -0.60 0.00 0.00 56.93 57.42 1x5j s PHE 83 Cb -0.11 0.12 0.02 0.00 0.51 0.00 0.00 43.02 43.56 1x5j s PHE 83 CO 0.16 -0.27 0.24 -1.12 0.70 0.00 0.00 175.22 174.93 1x5j s SER 84 N 1.29 -0.19 -0.02 1.36 0.01 -0.83 -1.10 113.70 114.23 1x5j s SER 84 Ca -0.09 0.29 0.07 0.00 1.31 0.00 0.00 55.95 57.53 1x5j s SER 84 Cb -0.10 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 1x5j s SER 84 CO -0.10 -0.20 -0.22 -0.69 0.41 0.00 0.00 173.24 172.44 1x5j s VAL 85 N -0.41 2.40 0.10 3.43 1.01 -1.26 -1.62 120.40 124.05 1x5j s VAL 85 Ca -0.05 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1x5j s VAL 85 Cb -0.03 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1x5j s VAL 85 CO 0.01 0.54 0.01 0.00 0.00 0.00 0.00 175.10 175.66 1x5j s MET 86 N -0.79 0.81 -0.01 2.72 0.23 -1.01 -3.20 119.30 118.05 1x5j s MET 86 Ca 0.11 -1.35 0.04 0.00 -1.03 0.00 0.00 55.69 53.46 1x5j s MET 86 Cb -0.10 0.14 -0.01 0.00 -1.53 0.00 0.00 34.83 33.33 1x5j s MET 86 CO 0.00 -0.17 -0.13 0.54 -2.03 0.00 0.00 175.02 173.24 1x5j s VAL 87 N -3.92 1.03 0.00 5.16 0.11 -1.26 -2.02 120.40 119.50 1x5j s VAL 87 Ca 0.16 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1x5j s VAL 87 Cb 0.07 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 1x5j s VAL 87 CO -0.03 0.29 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.10 1x5j s THR 88 N -0.24 0.36 -0.42 5.04 2.01 -1.21 -2.25 115.64 118.93 1x5j s THR 88 Ca 0.04 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.84 1x5j s THR 88 Cb -0.06 -0.32 0.43 0.00 0.01 0.00 0.00 72.50 72.56 1x5j s THR 88 CO -0.00 0.05 1.10 2.29 -0.69 0.00 0.00 174.62 177.37 1x5j n LYS 89 N 2.84 3.24 0.00 4.92 2.85 -0.13 -3.47 118.16 128.41 1x5j n LYS 89 Ca -0.14 -4.38 0.00 0.00 -1.05 0.00 0.00 58.31 52.75 1x5j n LYS 89 Cb 0.58 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.80 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 -0.46 1.26 0.13 2.58 0.00 -1.26 -4.08 105.19 103.36 1x5j n GLY 90 Ca 0.37 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1x5j n GLY 90 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x5j h ARG 91 N 0.00 0.28 -6.62 1.61 3.08 -2.01 -3.46 114.38 107.25 1x5j h ARG 91 Ca 0.00 -0.47 -0.51 0.00 0.07 0.00 0.00 59.98 59.07 1x5j h ARG 91 Cb 0.00 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1x5j h ARG 91 CO 0.00 1.14 0.03 1.03 -1.07 0.00 0.00 179.97 181.10 1x5j s ARG 92 N -2.59 3.94 0.18 0.04 0.52 -1.26 -5.08 118.95 114.70 1x5j s ARG 92 Ca -0.14 0.54 -0.23 0.00 -0.52 0.00 0.00 55.73 55.38 1x5j s ARG 92 Cb 0.06 -2.52 0.06 0.00 0.52 0.00 0.00 34.95 33.07 1x5j s ARG 92 CO 0.83 0.22 0.73 -1.54 0.02 0.00 0.00 175.30 175.57 1x5j s SER 93 N -2.27 -0.38 0.37 0.23 1.04 -1.26 -0.95 113.70 110.48 1x5j s SER 93 Ca 0.51 -0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.76 1x5j s SER 93 Cb -0.11 0.60 -0.06 0.00 0.10 0.00 0.00 66.02 66.55 1x5j s SER 93 CO 0.19 -1.04 0.04 -0.94 0.98 0.00 0.00 173.24 172.47 1x5j s SER 94 N -2.80 4.13 1.05 7.02 1.04 -0.95 -2.45 113.70 120.74 1x5j s SER 94 Ca 0.07 -1.11 -0.10 0.00 0.48 0.00 0.00 55.95 55.29 1x5j s SER 94 Cb -0.03 -0.47 0.14 0.00 0.10 0.00 0.00 66.02 65.75 1x5j s SER 94 CO -0.03 -0.35 0.67 1.07 0.98 0.00 0.00 173.24 175.58 1x5j n THR 95 N -1.01 0.00 -2.90 2.02 5.66 -1.26 -4.66 114.28 112.12 1x5j n THR 95 Ca -0.04 -0.43 -0.42 0.00 -3.05 0.00 0.00 64.05 60.11 1x5j n THR 95 Cb 0.64 -1.52 -0.05 0.00 -1.55 0.00 0.00 70.33 67.86 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 -2.39 3.13 1.15 1.09 0.52 -1.26 -4.70 118.94 116.47 1x5j s TRP 96 Ca 0.40 0.70 -0.15 0.00 0.02 0.00 0.00 56.10 57.06 1x5j s TRP 96 Cb -0.02 -3.43 0.20 0.00 -1.15 0.00 0.00 33.47 29.07 1x5j s TRP 96 CO 0.29 -0.72 0.54 -1.13 0.02 0.00 0.00 176.95 175.95 1x5j n SER 97 N 6.48 -2.03 -4.69 2.95 3.41 -1.19 -4.74 113.62 113.81 1x5j n SER 97 Ca 0.05 -0.13 -0.63 0.00 -0.26 0.00 0.00 58.87 57.90 1x5j n SER 97 Cb 0.48 -1.12 -0.09 0.00 -0.26 0.00 0.00 64.21 63.22 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 -3.57 0.35 -2.28 4.33 0.00 -1.26 -4.70 117.12 109.99 1x5j n MET 98 Ca 0.02 0.13 -0.43 0.00 0.00 0.00 0.00 57.70 57.42 1x5j n MET 98 Cb 0.58 -1.68 -0.02 0.00 0.00 0.00 0.00 33.22 32.09 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 2.43 4.01 -0.37 3.17 2.01 -1.26 -4.81 115.64 120.82 1x5j s THR 99 Ca 1.00 1.20 -0.24 0.00 0.31 0.00 0.00 61.69 63.96 1x5j s THR 99 Cb -1.32 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 67.36 1x5j s THR 99 CO 0.71 -0.18 0.84 0.00 -0.69 0.00 0.00 174.62 175.30 1x5j s ALA 100 N 3.98 3.42 -0.32 7.40 0.00 -0.26 -4.88 121.76 131.11 1x5j s ALA 100 Ca 0.62 -0.58 -0.20 0.00 0.00 0.00 0.00 51.96 51.80 1x5j s ALA 100 Cb -0.24 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1x5j s ALA 100 CO 0.21 -1.55 0.60 -1.01 0.00 0.00 0.00 175.76 174.02 1x5j s HIS 101 N 3.26 3.20 -0.07 0.00 0.09 -1.26 -2.82 115.29 117.69 1x5j s HIS 101 Ca 0.34 0.49 0.02 0.00 -0.00 0.00 0.00 55.06 55.91 1x5j s HIS 101 Cb -0.13 -2.98 0.01 0.00 -0.00 0.00 0.00 32.58 29.49 1x5j s HIS 101 CO 0.18 -0.49 -0.12 0.20 -0.00 0.00 0.00 174.74 174.50 1x5j s GLY 102 N 1.68 0.81 -0.28 -2.22 0.00 -1.13 -4.97 107.32 101.21 1x5j s GLY 102 Ca 0.24 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 1x5j s GLY 102 CO 0.12 0.16 0.20 -1.59 0.00 0.00 0.00 173.10 172.00 1x5j s THR 103 N 0.74 5.30 0.83 0.90 2.01 -1.26 -2.28 115.64 121.88 1x5j s THR 103 Ca -0.13 0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 1x5j s THR 103 Cb -0.16 -3.54 0.09 0.00 0.01 0.00 0.00 72.50 68.90 1x5j s THR 103 CO 0.03 0.25 1.11 0.42 -0.69 0.00 0.00 174.62 175.73 1x5j s THR 104 N 1.73 2.89 0.91 -0.82 -4.23 -1.24 -4.94 115.64 109.95 1x5j s THR 104 Ca 0.08 0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 60.74 1x5j s THR 104 Cb -0.16 -2.64 0.15 0.00 1.34 0.00 0.00 72.50 71.19 1x5j s THR 104 CO 0.10 -0.38 1.21 -0.36 -0.54 0.00 0.00 174.62 174.66 1x5j s PHE 105 N -2.83 2.23 -0.11 3.99 0.08 -1.26 -3.16 117.98 116.91 1x5j s PHE 105 Ca 0.63 0.62 -0.27 0.00 0.12 0.00 0.00 56.93 58.03 1x5j s PHE 105 Cb -0.19 -3.67 -0.02 0.00 -0.57 0.00 0.00 43.02 38.57 1x5j s PHE 105 CO 0.57 -2.35 0.88 -1.21 -0.10 0.00 0.00 175.22 173.00 1x5j s GLU 106 N -5.60 4.39 -0.20 0.44 2.02 -1.26 -1.51 118.70 116.98 1x5j s GLU 106 Ca 0.67 1.15 -0.18 0.00 0.02 0.00 0.00 54.97 56.63 1x5j s GLU 106 Cb -0.09 -3.53 -0.15 0.00 0.10 0.00 0.00 34.13 30.46 1x5j s GLU 106 CO 0.52 -0.22 0.05 -0.11 0.02 0.00 0.00 175.26 175.52 1x5j n LEU 107 N 4.75 1.86 -4.44 1.80 7.94 -1.26 -4.75 117.00 122.91 1x5j n LEU 107 Ca 0.05 0.45 -0.44 0.00 -1.11 0.00 0.00 56.01 54.97 1x5j n LEU 107 Cb 0.49 -0.92 -0.04 0.00 0.53 0.00 0.00 43.42 43.48 1x5j n LEU 107 CO 0.50 0.14 0.73 -0.44 -1.11 0.00 0.00 177.39 177.20 1x5j s SER 108 N -6.67 6.28 0.00 1.96 0.01 -1.26 -4.89 113.70 109.13 1x5j s SER 108 Ca -0.27 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 55.67 1x5j s SER 108 Cb 0.06 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1x5j s SER 108 CO 0.50 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 173.47 1x5j n GLY 109 N 5.35 3.37 3.77 3.44 0.00 -1.26 -5.09 105.19 114.76 1x5j n GLY 109 Ca 0.01 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.10 2.73 0.12 1.61 0.04 -1.26 -4.93 135.00 130.21 1x5j s PRO 110 Ca 0.00 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 1x5j s PRO 110 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1x5j s PRO 110 CO 0.00 -1.30 0.26 -1.54 0.04 0.00 0.00 177.00 174.46 1x5j s SER 111 N -2.69 0.03 -0.32 6.66 1.04 -1.26 -5.02 113.70 112.15 1x5j s SER 111 Ca 0.66 -0.68 -0.28 0.00 0.48 0.00 0.00 55.95 56.13 1x5j s SER 111 Cb -0.20 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1x5j s SER 111 CO 0.43 -0.82 2.02 -0.55 0.98 0.00 0.00 173.24 175.31 1x5j s SER 112 N -2.89 5.55 0.00 7.02 0.15 -1.26 -5.17 113.70 117.11 1x5j s SER 112 Ca 0.09 1.46 0.32 0.00 0.70 0.00 0.00 55.95 58.52 1x5j s SER 112 Cb 0.04 -2.52 1.90 0.00 -1.71 0.00 0.00 66.02 63.73 1x5j s SER 112 CO -0.07 -1.95 2.22 0.61 1.20 0.00 0.00 173.24 175.25