#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5j s SER 2 N 0.00 5.46 0.07 1.61 1.04 -1.26 -5.06 113.70 115.56 1x5j s SER 2 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1x5j s SER 2 Cb 0.00 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.97 1x5j s SER 2 CO 0.00 -0.26 0.00 -0.24 0.98 0.00 0.00 173.24 173.72 1x5j n SER 3 N -1.35 0.62 -4.70 7.02 2.88 -1.26 -5.06 113.62 111.78 1x5j n SER 3 Ca -0.04 0.10 -0.38 0.00 -1.33 0.00 0.00 58.87 57.22 1x5j n SER 3 Cb 0.59 -0.18 0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1x5j n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5j n GLY 4 N 3.19 0.33 2.65 0.46 0.00 -1.26 -4.91 105.19 105.65 1x5j n GLY 4 Ca 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.32 7.32 -3.82 1.61 7.64 -1.26 -4.93 113.62 118.86 1x5j n SER 5 Ca 0.14 -3.47 -0.12 0.00 1.01 0.00 0.00 58.87 56.43 1x5j n SER 5 Cb 0.47 -1.26 -0.11 0.00 -1.01 0.00 0.00 64.21 62.31 1x5j n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5j s SER 6 N -0.78 -0.13 -0.79 6.43 0.01 -1.26 -5.11 113.70 112.07 1x5j s SER 6 Ca 0.42 0.15 -0.07 0.00 1.31 0.00 0.00 55.95 57.77 1x5j s SER 6 Cb 0.17 0.34 0.20 0.00 0.21 0.00 0.00 66.02 66.94 1x5j s SER 6 CO -0.08 -0.23 0.67 -0.83 0.41 0.00 0.00 173.24 173.18 1x5j s GLY 7 N -0.63 2.74 1.05 3.44 0.00 -1.26 -5.07 107.32 107.59 1x5j s GLY 7 Ca -0.07 -3.46 -0.14 0.00 0.00 0.00 0.00 44.72 41.05 1x5j s GLY 7 CO 0.01 1.19 1.10 2.56 0.00 0.00 0.00 173.10 177.96 1x5j s PRO 8 N -0.38 0.01 0.15 2.90 0.04 -1.26 -4.91 135.00 131.55 1x5j s PRO 8 Ca 0.21 0.38 -0.33 0.00 0.04 0.00 0.00 61.00 61.29 1x5j s PRO 8 Cb -0.14 -1.70 -0.16 0.00 0.04 0.00 0.00 34.50 32.54 1x5j s PRO 8 CO -0.07 -2.98 1.06 -1.33 0.04 0.00 0.00 177.00 173.72 1x5j n MET 9 N -4.32 0.85 -3.24 4.56 2.81 -1.26 -4.92 117.12 111.59 1x5j n MET 9 Ca 0.06 0.30 -0.39 0.00 -1.81 0.00 0.00 57.70 55.87 1x5j n MET 9 Cb 0.58 -1.73 -0.06 0.00 -0.71 0.00 0.00 33.22 31.30 1x5j n MET 9 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x5j s MET 10 N -0.44 4.26 0.89 0.03 0.23 -1.26 -4.27 119.30 118.74 1x5j s MET 10 Ca 0.74 0.73 -0.11 0.00 -1.03 0.00 0.00 55.69 56.02 1x5j s MET 10 Cb -0.92 -3.29 0.12 0.00 -1.53 0.00 0.00 34.83 29.21 1x5j s MET 10 CO 0.54 0.49 1.09 -1.25 -2.03 0.00 0.00 175.02 173.86 1x5j s PRO 11 N -0.61 1.35 1.24 3.16 0.04 -1.26 -4.88 135.00 134.03 1x5j s PRO 11 Ca 0.30 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 61.98 1x5j s PRO 11 Cb -0.19 -1.82 0.30 0.00 0.04 0.00 0.00 34.50 32.84 1x5j s PRO 11 CO 0.18 -2.19 1.11 -1.25 0.04 0.00 0.00 177.00 174.90 1x5j s PRO 12 N -4.94 -1.52 0.33 0.56 0.04 -1.26 -4.88 135.00 123.34 1x5j s PRO 12 Ca 0.63 -0.17 -0.03 0.00 0.04 0.00 0.00 61.00 61.47 1x5j s PRO 12 Cb -0.18 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1x5j s PRO 12 CO 0.57 -3.89 0.46 0.14 0.04 0.00 0.00 177.00 174.32 1x5j s VAL 13 N -3.01 0.00 -1.87 -0.36 -7.23 -0.69 -4.70 120.40 102.54 1x5j s VAL 13 Ca 0.72 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1x5j s VAL 13 Cb -0.08 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.26 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 -0.54 1.29 3.69 2.32 0.00 -1.26 -0.87 105.19 109.81 1x5j n GLY 14 Ca 0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.83 0.25 -4.25 1.61 0.31 -1.26 -4.56 118.33 107.60 1x5j n VAL 15 Ca -0.19 -0.04 -0.17 0.00 -0.01 0.00 0.00 64.34 63.92 1x5j n VAL 15 Cb 0.62 -1.97 -0.11 0.00 -0.91 0.00 0.00 33.84 31.47 1x5j n VAL 15 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1x5j s GLN 16 N 2.21 1.04 -0.31 5.55 0.74 -0.74 -4.91 119.66 123.25 1x5j s GLN 16 Ca 0.81 -1.29 -0.02 0.00 0.05 0.00 0.00 55.36 54.91 1x5j s GLN 16 Cb -0.54 -0.87 0.10 0.00 1.10 0.00 0.00 33.01 32.80 1x5j s GLN 16 CO 0.38 0.16 0.11 0.00 -0.55 0.00 0.00 175.29 175.38 1x5j s ALA 17 N -2.37 1.27 -0.06 1.58 0.00 -1.26 -3.28 121.76 117.64 1x5j s ALA 17 Ca 0.11 -1.51 -0.14 0.00 0.00 0.00 0.00 51.96 50.41 1x5j s ALA 17 Cb -0.04 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 1x5j s ALA 17 CO 0.03 -1.67 0.37 -1.12 0.00 0.00 0.00 175.76 173.37 1x5j s SER 18 N 1.74 6.67 -0.28 0.00 0.01 -0.59 -4.92 113.70 116.34 1x5j s SER 18 Ca 0.10 0.80 -0.12 0.00 1.31 0.00 0.00 55.95 58.03 1x5j s SER 18 Cb -0.17 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1x5j s SER 18 CO -0.28 0.24 0.25 -0.63 0.41 0.00 0.00 173.24 173.22 1x5j s ILE 19 N -0.50 5.27 -0.18 1.44 -1.09 -1.26 -1.33 121.20 123.55 1x5j s ILE 19 Ca 0.22 0.26 -0.05 0.00 -2.23 0.00 0.00 60.65 58.85 1x5j s ILE 19 Cb -0.15 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.04 1x5j s ILE 19 CO 0.10 0.20 -0.20 0.18 -1.23 0.00 0.00 174.94 173.99 1x5j n LEU 20 N 5.15 2.04 -4.25 2.97 7.99 -1.18 -5.02 117.00 124.70 1x5j n LEU 20 Ca -0.12 0.09 -0.19 0.00 -0.01 0.00 0.00 56.01 55.78 1x5j n LEU 20 Cb 0.51 -0.57 -0.07 0.00 -0.11 0.00 0.00 43.42 43.18 1x5j n LEU 20 CO 0.35 0.57 -0.07 -0.44 -1.51 0.00 0.00 177.39 176.28 1x5j s SER 21 N -6.24 1.55 0.44 -1.43 0.01 -1.03 -4.98 113.70 102.02 1x5j s SER 21 Ca -0.25 -1.72 0.23 0.00 1.31 0.00 0.00 55.95 55.53 1x5j s SER 21 Cb 0.08 0.57 0.95 0.00 0.21 0.00 0.00 66.02 67.84 1x5j s SER 21 CO 0.36 -1.10 1.85 1.12 0.41 0.00 0.00 173.24 175.87 1x5j h HIS 22 N 2.13 0.00 0.00 2.43 2.07 -1.92 -3.09 115.15 116.77 1x5j h HIS 22 Ca -0.26 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.26 1x5j h HIS 22 Cb 1.23 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.20 1x5j h HIS 22 CO 1.68 0.24 -0.20 -0.40 -3.07 0.00 0.00 177.93 176.18 1x5j n ASP 23 N -3.47 1.75 -3.87 3.10 5.75 -1.26 -4.09 116.55 114.46 1x5j n ASP 23 Ca -0.00 -2.93 -0.16 0.00 -0.01 0.00 0.00 54.79 51.69 1x5j n ASP 23 Cb 0.41 -0.39 -0.15 0.00 -1.03 0.00 0.00 41.12 39.96 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 -2.24 0.22 -0.13 2.12 2.01 -1.17 -1.52 115.64 114.93 1x5j s THR 24 Ca 0.26 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.15 1x5j s THR 24 Cb 0.24 -0.26 0.04 0.00 0.01 0.00 0.00 72.50 72.54 1x5j s THR 24 CO 0.00 0.11 0.33 -0.63 -0.69 0.00 0.00 174.62 173.74 1x5j s ILE 25 N 0.53 -0.02 -0.17 1.82 1.01 -0.25 -2.46 121.20 121.67 1x5j s ILE 25 Ca -0.05 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 1x5j s ILE 25 Cb -0.08 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 1x5j s ILE 25 CO -0.01 0.02 0.20 -0.60 0.00 0.00 0.00 174.94 174.56 1x5j s ARG 26 N 0.75 4.13 -0.25 2.79 3.52 -0.44 -0.46 118.95 128.99 1x5j s ARG 26 Ca -0.05 -0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.49 1x5j s ARG 26 Cb -0.06 -3.39 0.07 0.00 -1.56 0.00 0.00 34.95 30.01 1x5j s ARG 26 CO -0.05 0.33 -0.02 0.42 -0.81 0.00 0.00 175.30 175.17 1x5j s ILE 27 N 0.22 1.50 0.03 4.11 -1.09 0.19 -1.54 121.20 124.62 1x5j s ILE 27 Ca 0.12 -1.32 0.09 0.00 -2.23 0.00 0.00 60.65 57.31 1x5j s ILE 27 Cb -0.12 -1.84 -0.03 0.00 -1.58 0.00 0.00 42.46 38.89 1x5j s ILE 27 CO 0.01 -0.21 -0.25 0.42 -1.23 0.00 0.00 174.94 173.68 1x5j s THR 28 N 1.39 2.20 0.23 2.92 -4.23 -1.21 -0.36 115.64 116.59 1x5j s THR 28 Ca -0.02 -1.30 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1x5j s THR 28 Cb -0.19 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 1x5j s THR 28 CO -0.08 0.41 0.16 -2.67 -0.54 0.00 0.00 174.62 171.91 1x5j n TRP 29 N 1.91 -0.38 -3.98 3.99 2.14 -1.23 -1.80 117.44 118.09 1x5j n TRP 29 Ca -0.17 -1.82 -0.16 0.00 2.07 0.00 0.00 57.50 57.43 1x5j n TRP 29 Cb 0.52 0.15 -0.15 0.00 -0.81 0.00 0.00 31.31 31.01 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 -2.85 0.29 -0.45 -1.67 0.00 -0.05 -4.82 121.76 112.21 1x5j s ALA 30 Ca 0.23 0.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 1x5j s ALA 30 Cb 0.01 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 22.99 1x5j s ALA 30 CO 0.16 -0.01 0.35 0.34 0.00 0.00 0.00 175.76 176.61 1x5j s ASP 31 N 0.52 6.02 0.33 0.00 2.15 -1.26 -1.70 116.67 122.73 1x5j s ASP 31 Ca -0.05 -1.31 0.10 0.00 0.43 0.00 0.00 52.55 51.72 1x5j s ASP 31 Cb -0.08 -2.13 0.59 0.00 -0.30 0.00 0.00 42.92 40.99 1x5j s ASP 31 CO -0.01 -0.59 1.77 0.78 -0.17 0.00 0.00 175.17 176.94 1x5j h ASN 32 N 8.66 0.12 -1.02 -0.34 2.35 -1.95 -2.96 115.58 120.45 1x5j h ASN 32 Ca -0.27 -0.05 0.24 0.00 -0.55 0.00 0.00 56.30 55.68 1x5j h ASN 32 Cb 1.11 -0.03 -0.10 0.00 0.05 0.00 0.00 38.32 39.34 1x5j h ASN 32 CO 0.83 0.50 0.64 0.28 -1.65 0.00 0.00 177.43 178.03 1x5j h SER 33 N 0.10 0.56 -4.02 5.81 0.02 -1.93 -3.41 113.55 110.69 1x5j h SER 33 Ca 0.01 0.10 -0.55 0.00 -0.84 0.00 0.00 61.79 60.51 1x5j h SER 33 Cb 0.73 0.01 0.13 0.00 0.14 0.00 0.00 62.40 63.40 1x5j h SER 33 CO 0.05 0.13 0.67 -0.76 -1.14 0.00 0.00 176.83 175.78 1x5j s LEU 34 N -9.92 4.00 0.00 5.07 1.43 -1.12 -5.01 118.68 113.14 1x5j s LEU 34 Ca -0.10 2.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.76 1x5j s LEU 34 Cb 0.26 -4.08 0.16 0.00 0.03 0.00 0.00 46.19 42.56 1x5j s LEU 34 CO 0.80 -1.35 0.56 -0.81 0.23 0.00 0.00 176.35 175.78 1x5j n PRO 35 N -0.55 -2.12 -0.17 1.29 -0.04 -1.26 -4.90 135.00 127.25 1x5j n PRO 35 Ca 0.07 -0.90 -0.04 0.00 -0.04 0.00 0.00 63.50 62.59 1x5j n PRO 35 Cb 0.43 -0.85 -0.04 0.00 -0.04 0.00 0.00 33.50 33.01 1x5j n PRO 35 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x5j n LYS 36 N -3.23 -0.17 -2.75 0.54 5.02 -1.26 -4.01 118.16 112.30 1x5j n LYS 36 Ca 0.08 0.92 -0.42 0.00 -2.02 0.00 0.00 58.31 56.87 1x5j n LYS 36 Cb 0.30 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1x5j n LYS 36 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1x5j s HIS 37 N -4.30 3.51 -0.47 2.13 -3.43 -1.26 -4.98 115.29 106.48 1x5j s HIS 37 Ca -0.05 1.51 -0.28 0.00 -0.80 0.00 0.00 55.06 55.45 1x5j s HIS 37 Cb 0.04 -3.13 -0.01 0.00 -1.43 0.00 0.00 32.58 28.05 1x5j s HIS 37 CO 0.25 -0.20 1.73 -0.65 -2.00 0.00 0.00 174.74 173.87 1x5j s GLN 38 N 1.92 3.09 -0.15 -0.38 -1.52 -1.26 -4.94 119.66 116.42 1x5j s GLN 38 Ca 0.46 0.94 -0.06 0.00 -1.95 0.00 0.00 55.36 54.75 1x5j s GLN 38 Cb -0.18 -4.24 0.07 0.00 -0.22 0.00 0.00 33.01 28.43 1x5j s GLN 38 CO 0.17 -2.17 0.33 0.21 -0.25 0.00 0.00 175.29 173.58 1x5j s LYS 39 N 6.09 0.25 -1.24 2.91 2.20 -1.26 -5.08 119.74 123.60 1x5j s LYS 39 Ca 0.70 0.78 -0.14 0.00 -0.36 0.00 0.00 55.97 56.94 1x5j s LYS 39 Cb -0.16 0.04 0.14 0.00 -1.51 0.00 0.00 37.83 36.34 1x5j s LYS 39 CO 0.28 -0.23 1.55 -0.89 -0.36 0.00 0.00 175.35 175.70 1x5j n ILE 40 N 4.93 4.17 -1.77 5.43 5.41 -1.26 -4.79 119.36 131.48 1x5j n ILE 40 Ca -0.14 -4.53 -0.33 0.00 1.00 0.00 0.00 62.75 58.75 1x5j n ILE 40 Cb 0.51 -2.43 0.05 0.00 -0.71 0.00 0.00 39.64 37.06 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 4.97 3.26 -4.07 1.39 -2.24 -1.26 -4.97 114.28 111.35 1x5j n THR 41 Ca 0.40 -3.81 -0.08 0.00 -2.27 0.00 0.00 64.05 58.30 1x5j n THR 41 Cb 0.43 -1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 67.36 1x5j n THR 41 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x5j s ASP 42 N -2.16 0.51 -1.42 3.42 1.01 -1.26 -5.06 116.67 111.70 1x5j s ASP 42 Ca 0.57 -0.89 -0.13 0.00 0.71 0.00 0.00 52.55 52.81 1x5j s ASP 42 Cb 0.46 0.16 0.06 0.00 1.01 0.00 0.00 42.92 44.62 1x5j s ASP 42 CO -0.14 -0.51 2.15 -1.20 0.21 0.00 0.00 175.17 175.68 1x5j n SER 43 N 0.43 4.11 -4.33 0.27 7.64 -1.26 -4.90 113.62 115.59 1x5j n SER 43 Ca -0.16 -2.89 -0.17 0.00 1.01 0.00 0.00 58.87 56.66 1x5j n SER 43 Cb 0.60 -1.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.06 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 2.72 1.34 0.04 1.43 1.04 -1.26 -4.75 118.95 119.52 1x5j s ARG 44 Ca 0.46 -1.68 -0.09 0.00 -1.04 0.00 0.00 55.73 53.38 1x5j s ARG 44 Cb 0.13 -0.65 0.00 0.00 -2.04 0.00 0.00 34.95 32.39 1x5j s ARG 44 CO -0.07 -0.08 0.18 1.52 -0.04 0.00 0.00 175.30 176.81 1x5j s TYR 45 N -3.39 0.08 0.01 5.89 1.13 -1.23 -4.94 117.35 114.90 1x5j s TYR 45 Ca 0.28 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 1x5j s TYR 45 Cb 0.05 -0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 1x5j s TYR 45 CO 0.09 -0.43 0.07 0.71 -2.51 0.00 0.00 175.55 173.48 1x5j s TYR 46 N -2.64 3.24 -0.31 -3.49 2.02 -1.25 -3.19 117.35 111.74 1x5j s TYR 46 Ca -0.04 0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.81 1x5j s TYR 46 Cb -0.01 -1.71 0.10 0.00 -0.40 0.00 0.00 41.96 39.94 1x5j s TYR 46 CO -0.04 0.53 0.10 0.99 -1.57 0.00 0.00 175.55 175.57 1x5j s THR 47 N -1.21 0.80 -0.00 -0.71 2.01 -0.88 -3.30 115.64 112.35 1x5j s THR 47 Ca 0.24 -1.38 -0.17 0.00 0.31 0.00 0.00 61.69 60.69 1x5j s THR 47 Cb -0.12 -1.61 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 1x5j s THR 47 CO 0.15 -0.69 0.46 -0.69 -0.69 0.00 0.00 174.62 173.16 1x5j s VAL 48 N 1.62 4.98 0.23 3.82 1.01 -1.25 -3.11 120.40 127.70 1x5j s VAL 48 Ca 0.10 0.96 0.11 0.00 0.00 0.00 0.00 61.98 63.15 1x5j s VAL 48 Cb -0.17 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1x5j s VAL 48 CO -0.25 0.52 -0.20 0.00 0.00 0.00 0.00 175.10 175.17 1x5j s ARG 49 N -0.75 1.68 -0.17 2.72 1.70 -1.07 -1.46 118.95 121.60 1x5j s ARG 49 Ca 0.26 -1.59 -0.22 0.00 -0.47 0.00 0.00 55.73 53.71 1x5j s ARG 49 Cb -0.17 -1.87 0.06 0.00 -0.57 0.00 0.00 34.95 32.40 1x5j s ARG 49 CO 0.14 0.37 0.57 1.67 -1.08 0.00 0.00 175.30 176.98 1x5j s TRP 50 N -2.03 -0.60 0.26 5.89 -2.14 0.19 -3.23 118.94 117.28 1x5j s TRP 50 Ca 0.25 1.36 -0.22 0.00 2.66 0.00 0.00 56.10 60.16 1x5j s TRP 50 Cb -0.07 0.24 0.03 0.00 -3.10 0.00 0.00 33.47 30.57 1x5j s TRP 50 CO 0.13 -0.37 0.74 -1.59 -2.66 0.00 0.00 176.95 173.20 1x5j s LYS 51 N -0.12 1.71 -0.12 3.25 -2.85 -1.24 -1.88 119.74 118.48 1x5j s LYS 51 Ca -0.03 -0.94 -0.06 0.00 -1.00 0.00 0.00 55.97 53.94 1x5j s LYS 51 Cb -0.03 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1x5j s LYS 51 CO 0.03 -0.78 0.10 0.95 0.10 0.00 0.00 175.35 175.75 1x5j s THR 52 N -3.85 5.17 -0.78 3.79 -4.23 -1.26 -2.60 115.64 111.88 1x5j s THR 52 Ca 0.11 0.08 0.27 0.00 -1.18 0.00 0.00 61.69 60.97 1x5j s THR 52 Cb -0.05 -3.25 0.26 0.00 1.34 0.00 0.00 72.50 70.80 1x5j s THR 52 CO 0.06 0.59 1.78 -3.20 -0.54 0.00 0.00 174.62 173.31 1x5j n ASN 53 N 2.25 0.66 -3.92 3.99 2.85 -1.24 -4.61 115.26 115.23 1x5j n ASN 53 Ca -0.19 0.53 -0.30 0.00 -0.11 0.00 0.00 54.58 54.51 1x5j n ASN 53 Cb 0.54 -0.68 -0.16 0.00 1.24 0.00 0.00 39.78 40.73 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 -3.08 1.45 1.25 -1.44 -1.09 -1.26 -1.57 121.20 115.45 1x5j s ILE 54 Ca 0.11 -1.21 -0.21 0.00 -2.23 0.00 0.00 60.65 57.11 1x5j s ILE 54 Cb 0.14 -1.76 0.31 0.00 -1.58 0.00 0.00 42.46 39.56 1x5j s ILE 54 CO 0.59 -0.15 1.11 -2.16 -1.23 0.00 0.00 174.94 173.11 1x5j s PRO 55 N 1.42 -1.58 -0.08 2.79 0.04 -1.26 -5.06 135.00 131.27 1x5j s PRO 55 Ca -0.04 -0.19 -0.27 0.00 0.04 0.00 0.00 61.00 60.54 1x5j s PRO 55 Cb -0.19 -1.57 -0.23 0.00 0.04 0.00 0.00 34.50 32.55 1x5j s PRO 55 CO -0.07 -3.93 1.00 0.00 0.04 0.00 0.00 177.00 174.05 1x5j h ALA 56 N -2.73 0.01 -1.08 8.56 0.00 -1.55 -3.41 119.26 119.06 1x5j h ALA 56 Ca -0.42 -0.41 -0.53 0.00 0.00 0.00 0.00 54.91 53.54 1x5j h ALA 56 Cb 1.28 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 1x5j h ALA 56 CO 0.29 -0.05 1.30 -0.80 0.00 0.00 0.00 179.25 179.99 1x5j s ASN 57 N -6.09 6.17 0.07 0.00 0.01 -1.26 -4.87 114.94 108.97 1x5j s ASN 57 Ca -0.17 -1.14 0.02 0.00 -0.71 0.00 0.00 52.86 50.86 1x5j s ASN 57 Cb -0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 1x5j s ASN 57 CO 0.70 -1.80 -0.07 0.42 -1.51 0.00 0.00 177.10 174.84 1x5j s THR 58 N 6.12 0.62 0.53 1.60 -4.23 -1.26 -5.12 115.64 113.91 1x5j s THR 58 Ca 0.50 -1.53 -0.20 0.00 -1.18 0.00 0.00 61.69 59.28 1x5j s THR 58 Cb -0.03 -1.18 -0.06 0.00 1.34 0.00 0.00 72.50 72.57 1x5j s THR 58 CO -0.04 -0.64 1.12 -0.54 -0.54 0.00 0.00 174.62 173.98 1x5j s LYS 59 N -2.77 3.42 -0.07 3.99 1.02 -1.26 -4.99 119.74 119.07 1x5j s LYS 59 Ca 0.02 1.60 -0.16 0.00 0.02 0.00 0.00 55.97 57.44 1x5j s LYS 59 Cb -0.02 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 1x5j s LYS 59 CO -0.02 -0.79 0.43 0.71 -0.92 0.00 0.00 175.35 174.75 1x5j s TYR 60 N -1.78 3.61 -0.21 3.18 2.02 -1.26 -4.77 117.35 118.13 1x5j s TYR 60 Ca 0.72 0.92 -0.03 0.00 -0.37 0.00 0.00 57.07 58.30 1x5j s TYR 60 Cb -0.23 -2.42 -0.01 0.00 -0.40 0.00 0.00 41.96 38.90 1x5j s TYR 60 CO 0.27 0.39 -0.06 0.15 -1.57 0.00 0.00 175.55 174.73 1x5j s LYS 61 N -0.17 3.36 0.40 -0.62 -0.14 -0.79 -4.97 119.74 116.81 1x5j s LYS 61 Ca 0.24 -0.64 0.07 0.00 -1.36 0.00 0.00 55.97 54.28 1x5j s LYS 61 Cb -0.16 -2.96 -0.08 0.00 -1.68 0.00 0.00 37.83 32.95 1x5j s LYS 61 CO 0.11 -0.17 0.01 0.54 -0.76 0.00 0.00 175.35 175.08 1x5j s ASN 62 N 1.38 3.75 0.32 2.83 2.20 -1.26 0.53 114.94 124.69 1x5j s ASN 62 Ca 0.05 -1.36 0.07 0.00 -0.94 0.00 0.00 52.86 50.67 1x5j s ASN 62 Cb -0.14 -0.37 -0.02 0.00 -2.00 0.00 0.00 41.25 38.71 1x5j s ASN 62 CO -0.03 -0.45 0.28 0.00 -2.94 0.00 0.00 177.10 173.97 1x5j n ALA 63 N -0.94 0.59 -3.69 3.54 0.00 -0.53 -4.98 120.51 114.51 1x5j n ALA 63 Ca -0.05 -1.82 -0.27 0.00 0.00 0.00 0.00 53.44 51.31 1x5j n ALA 63 Cb 0.67 1.47 -0.17 0.00 0.00 0.00 0.00 19.45 21.42 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 -3.19 2.72 -0.19 0.00 2.20 -1.26 -3.97 114.94 111.24 1x5j s ASN 64 Ca 0.37 -0.76 -0.06 0.00 -0.94 0.00 0.00 52.86 51.47 1x5j s ASN 64 Cb 0.02 -0.46 0.09 0.00 -2.00 0.00 0.00 41.25 38.89 1x5j s ASN 64 CO 0.26 -0.32 0.39 0.00 -2.94 0.00 0.00 177.10 174.49 1x5j s ALA 65 N 1.96 -1.07 -0.77 3.54 0.00 -1.21 -5.07 121.76 119.16 1x5j s ALA 65 Ca 0.00 1.37 -0.22 0.00 0.00 0.00 0.00 51.96 53.11 1x5j s ALA 65 Cb -0.17 -1.31 0.08 0.00 0.00 0.00 0.00 23.12 21.72 1x5j s ALA 65 CO -0.09 -0.79 1.07 0.95 0.00 0.00 0.00 175.76 176.90 1x5j s THR 66 N 2.58 4.36 -0.02 0.00 -4.23 -1.26 -3.75 115.64 113.32 1x5j s THR 66 Ca 0.00 -0.67 -0.30 0.00 -1.18 0.00 0.00 61.69 59.55 1x5j s THR 66 Cb -0.12 -4.76 0.12 0.00 1.34 0.00 0.00 72.50 69.08 1x5j s THR 66 CO -0.12 -1.54 1.29 0.28 -0.54 0.00 0.00 174.62 173.99 1x5j s THR 67 N 3.89 0.00 -0.37 3.99 -1.32 -1.26 -5.01 115.64 115.55 1x5j s THR 67 Ca 0.28 -0.21 0.06 0.00 -1.21 0.00 0.00 61.69 60.61 1x5j s THR 67 Cb -0.12 -2.26 0.56 0.00 -1.51 0.00 0.00 72.50 69.17 1x5j s THR 67 CO 0.04 0.00 1.62 0.18 -2.21 0.00 0.00 174.62 174.24 1x5j n LEU 68 N -0.60 5.44 -3.73 9.08 4.77 -1.26 -4.89 117.00 125.81 1x5j n LEU 68 Ca -0.06 -2.85 -0.08 0.00 -0.03 0.00 0.00 56.01 53.00 1x5j n LEU 68 Cb 0.62 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1x5j n LEU 68 CO 0.13 0.78 0.49 -0.94 -1.33 0.00 0.00 177.39 176.53 1x5j s SER 69 N -0.70 -0.32 -0.29 -1.43 1.04 -1.26 -3.49 113.70 107.24 1x5j s SER 69 Ca 0.43 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 56.27 1x5j s SER 69 Cb 0.35 0.66 0.14 0.00 0.10 0.00 0.00 66.02 67.26 1x5j s SER 69 CO 0.10 -1.18 0.95 -0.47 0.98 0.00 0.00 173.24 173.61 1x5j s TYR 70 N -3.77 -0.62 -0.37 5.02 5.04 0.52 -4.98 117.35 118.18 1x5j s TYR 70 Ca 0.09 1.26 -0.04 0.00 -2.44 0.00 0.00 57.07 55.94 1x5j s TYR 70 Cb -0.04 0.38 0.08 0.00 0.35 0.00 0.00 41.96 42.73 1x5j s TYR 70 CO 0.01 -0.31 0.14 -1.17 -1.34 0.00 0.00 175.55 172.89 1x5j s LEU 71 N 1.25 4.72 0.34 6.97 2.96 -1.26 0.55 118.68 134.21 1x5j s LEU 71 Ca -0.08 -1.62 -0.26 0.00 -0.22 0.00 0.00 54.13 51.96 1x5j s LEU 71 Cb -0.04 -1.82 -0.10 0.00 0.50 0.00 0.00 46.19 44.73 1x5j s LEU 71 CO -0.14 -0.43 0.99 -0.69 -1.32 0.00 0.00 176.35 174.75 1x5j s VAL 72 N 1.25 4.00 0.01 1.68 1.01 0.39 -4.90 120.40 123.83 1x5j s VAL 72 Ca 0.02 1.65 -0.13 0.00 0.00 0.00 0.00 61.98 63.52 1x5j s VAL 72 Cb -0.21 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1x5j s VAL 72 CO -0.01 0.12 0.27 0.42 0.00 0.00 0.00 175.10 175.89 1x5j s THR 73 N -1.59 0.08 0.00 3.92 -4.23 -1.26 -1.09 115.64 111.47 1x5j s THR 73 Ca 0.52 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1x5j s THR 73 Cb -0.21 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 72.91 1x5j s THR 73 CO 0.26 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1x5j n GLY 74 N 1.02 0.71 3.73 3.99 0.00 -0.58 -5.01 105.19 109.06 1x5j n GLY 74 Ca -0.21 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.72 3.20 0.10 0.99 1.43 -1.26 -5.09 118.68 117.34 1x5j s LEU 75 Ca 0.00 -0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 52.02 1x5j s LEU 75 Cb 0.00 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.51 1x5j s LEU 75 CO 0.00 -0.36 0.65 -0.75 0.23 0.00 0.00 176.35 176.12 1x5j s LYS 76 N -3.86 4.36 0.72 1.70 2.20 -1.26 -4.47 119.74 119.13 1x5j s LYS 76 Ca 0.39 0.91 -0.12 0.00 -0.36 0.00 0.00 55.97 56.78 1x5j s LYS 76 Cb -0.01 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 33.08 1x5j s LYS 76 CO 0.22 0.58 1.10 -1.25 -0.36 0.00 0.00 175.35 175.65 1x5j s PRO 77 N -1.02 2.50 -1.47 4.03 0.04 -1.26 -3.76 135.00 134.07 1x5j s PRO 77 Ca 0.32 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 62.54 1x5j s PRO 77 Cb -0.21 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1x5j s PRO 77 CO 0.22 -1.47 0.18 -1.71 0.04 0.00 0.00 177.00 174.26 1x5j n ASN 78 N -3.04 -0.30 -3.76 6.66 5.15 -1.17 -4.91 115.26 113.89 1x5j n ASN 78 Ca 0.10 -1.28 -0.14 0.00 -0.60 0.00 0.00 54.58 52.66 1x5j n ASN 78 Cb 0.53 -1.66 -0.15 0.00 -0.53 0.00 0.00 39.78 37.97 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 -4.17 -0.05 0.14 -0.44 2.01 -1.25 -5.02 115.64 106.87 1x5j s THR 79 Ca 0.12 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.98 1x5j s THR 79 Cb -0.07 -0.20 -0.10 0.00 0.01 0.00 0.00 72.50 72.15 1x5j s THR 79 CO 0.99 0.07 1.59 -0.22 -0.69 0.00 0.00 174.62 176.36 1x5j s LEU 80 N 1.07 4.37 0.06 4.42 1.98 -1.26 -4.13 118.68 125.19 1x5j s LEU 80 Ca -0.08 2.59 0.05 0.00 -2.89 0.00 0.00 54.13 53.79 1x5j s LEU 80 Cb -0.11 -3.59 -0.03 0.00 0.66 0.00 0.00 46.19 43.13 1x5j s LEU 80 CO -0.05 -0.84 -0.14 -0.31 -1.89 0.00 0.00 176.35 173.12 1x5j s TYR 81 N 1.48 1.21 0.00 5.38 2.02 -1.23 -3.67 117.35 122.53 1x5j s TYR 81 Ca 0.71 -0.44 0.05 0.00 -0.37 0.00 0.00 57.07 57.02 1x5j s TYR 81 Cb -0.43 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.42 1x5j s TYR 81 CO 0.31 0.05 -0.15 -2.00 -1.57 0.00 0.00 175.55 172.20 1x5j s GLU 82 N -1.61 2.32 -0.01 -0.62 -6.30 -1.07 -2.42 118.70 108.98 1x5j s GLU 82 Ca -0.01 -0.83 0.01 0.00 -2.50 0.00 0.00 54.97 51.64 1x5j s GLU 82 Cb -0.10 -2.31 0.01 0.00 0.00 0.00 0.00 34.13 31.73 1x5j s GLU 82 CO 0.02 0.58 -0.03 -0.06 0.02 0.00 0.00 175.26 175.80 1x5j s PHE 83 N -0.86 0.36 -0.03 5.30 0.08 -0.87 -3.62 117.98 118.34 1x5j s PHE 83 Ca 0.14 -0.06 -0.14 0.00 0.12 0.00 0.00 56.93 56.99 1x5j s PHE 83 Cb -0.11 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 42.06 1x5j s PHE 83 CO 0.04 -0.06 0.31 -1.54 -0.10 0.00 0.00 175.22 173.87 1x5j s SER 84 N 0.32 -0.21 -0.11 1.36 1.04 -1.20 -0.92 113.70 113.99 1x5j s SER 84 Ca -0.03 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.60 1x5j s SER 84 Cb -0.06 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 1x5j s SER 84 CO -0.01 -0.39 -0.22 -0.69 0.98 0.00 0.00 173.24 172.92 1x5j s VAL 85 N -1.08 2.23 0.14 5.02 1.01 -1.26 -2.60 120.40 123.86 1x5j s VAL 85 Ca -0.11 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 60.99 1x5j s VAL 85 Cb -0.05 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1x5j s VAL 85 CO 0.03 0.55 -0.17 0.00 0.00 0.00 0.00 175.10 175.52 1x5j s MET 86 N 0.39 1.15 -0.02 2.72 0.23 -1.18 -3.29 119.30 119.31 1x5j s MET 86 Ca -0.16 -1.32 0.07 0.00 -1.03 0.00 0.00 55.69 53.25 1x5j s MET 86 Cb -0.17 -1.15 -0.02 0.00 -1.53 0.00 0.00 34.83 31.96 1x5j s MET 86 CO 0.07 0.23 -0.23 0.54 -2.03 0.00 0.00 175.02 173.60 1x5j s VAL 87 N -2.03 2.32 -0.02 5.16 0.11 -1.26 -2.07 120.40 122.61 1x5j s VAL 87 Ca 0.12 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1x5j s VAL 87 Cb -0.06 -1.85 0.02 0.00 -1.53 0.00 0.00 36.38 32.96 1x5j s VAL 87 CO 0.05 0.54 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.46 1x5j s THR 88 N -0.68 0.22 -0.20 5.04 2.01 -1.19 -1.31 115.64 119.53 1x5j s THR 88 Ca 0.11 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 1x5j s THR 88 Cb -0.10 -0.27 0.14 0.00 0.01 0.00 0.00 72.50 72.28 1x5j s THR 88 CO 0.00 0.13 1.08 -0.75 -0.69 0.00 0.00 174.62 174.39 1x5j s LYS 89 N 0.69 0.47 -1.23 4.92 2.36 -0.61 -3.54 119.74 122.80 1x5j s LYS 89 Ca -0.07 0.16 -0.07 0.00 -2.55 0.00 0.00 55.97 53.44 1x5j s LYS 89 Cb -0.10 0.22 0.01 0.00 -1.05 0.00 0.00 37.83 36.91 1x5j s LYS 89 CO -0.01 -0.14 1.07 0.41 1.55 0.00 0.00 175.35 178.23 1x5j n GLY 90 N 0.84 -0.41 2.44 5.54 0.00 -1.26 -1.80 105.19 110.55 1x5j n GLY 90 Ca -0.08 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.53 -1.64 -4.38 1.61 1.74 -1.26 -4.96 116.66 103.24 1x5j n ARG 91 Ca -0.05 1.05 -0.19 0.00 -0.77 0.00 0.00 57.85 57.89 1x5j n ARG 91 Cb 0.58 -5.65 -0.10 0.00 -1.02 0.00 0.00 32.46 26.27 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 -4.74 1.57 0.16 5.56 0.52 -0.74 -5.18 118.95 116.11 1x5j s ARG 92 Ca 0.00 -1.88 -0.18 0.00 -0.52 0.00 0.00 55.73 53.15 1x5j s ARG 92 Cb 0.00 -0.41 0.04 0.00 0.52 0.00 0.00 34.95 35.10 1x5j s ARG 92 CO 0.00 -0.32 0.50 -1.54 0.02 0.00 0.00 175.30 173.96 1x5j s SER 93 N -3.40 -0.33 0.14 0.23 1.04 -1.26 -1.57 113.70 108.54 1x5j s SER 93 Ca 0.35 -0.30 0.10 0.00 0.48 0.00 0.00 55.95 56.58 1x5j s SER 93 Cb 0.07 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1x5j s SER 93 CO 0.15 -0.97 -0.21 -0.94 0.98 0.00 0.00 173.24 172.25 1x5j s SER 94 N -2.82 3.67 1.16 7.02 1.04 -0.43 -4.39 113.70 118.95 1x5j s SER 94 Ca 0.05 -0.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 1x5j s SER 94 Cb -0.00 -0.41 0.22 0.00 0.10 0.00 0.00 66.02 65.93 1x5j s SER 94 CO -0.09 0.17 0.60 1.07 0.98 0.00 0.00 173.24 175.97 1x5j n THR 95 N 0.70 0.00 -2.53 2.02 5.66 -1.26 -4.43 114.28 114.44 1x5j n THR 95 Ca -0.16 -0.40 -0.43 0.00 -3.05 0.00 0.00 64.05 60.02 1x5j n THR 95 Cb 0.53 -0.83 -0.02 0.00 -1.55 0.00 0.00 70.33 68.46 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 -2.33 2.69 1.07 1.09 0.52 -1.26 -4.65 118.94 116.07 1x5j s TRP 96 Ca 0.63 0.70 -0.16 0.00 0.02 0.00 0.00 56.10 57.30 1x5j s TRP 96 Cb -0.20 -4.41 0.17 0.00 -1.15 0.00 0.00 33.47 27.88 1x5j s TRP 96 CO 0.66 -1.48 0.26 -1.13 0.02 0.00 0.00 176.95 175.28 1x5j n SER 97 N 8.13 -2.95 -4.61 2.95 3.41 -1.21 -4.66 113.62 114.68 1x5j n SER 97 Ca 0.13 -0.36 -0.58 0.00 -0.26 0.00 0.00 58.87 57.80 1x5j n SER 97 Cb 0.49 -0.82 -0.08 0.00 -0.26 0.00 0.00 64.21 63.53 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 -2.09 0.81 -2.38 4.33 0.00 -1.26 -4.71 117.12 111.82 1x5j n MET 98 Ca 0.05 0.28 -0.42 0.00 0.00 0.00 0.00 57.70 57.61 1x5j n MET 98 Cb 0.44 -2.00 -0.03 0.00 0.00 0.00 0.00 33.22 31.63 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 4.51 4.07 -0.27 3.17 2.01 -1.26 -4.83 115.64 123.04 1x5j s THR 99 Ca 1.04 1.42 -0.11 0.00 0.31 0.00 0.00 61.69 64.35 1x5j s THR 99 Cb -1.15 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 67.39 1x5j s THR 99 CO 0.65 0.01 0.21 0.00 -0.69 0.00 0.00 174.62 174.80 1x5j s ALA 100 N 2.20 3.55 -0.22 7.40 0.00 -0.09 -4.89 121.76 129.70 1x5j s ALA 100 Ca 0.58 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 1x5j s ALA 100 Cb -0.27 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1x5j s ALA 100 CO 0.24 -0.47 0.45 -1.01 0.00 0.00 0.00 175.76 174.97 1x5j s HIS 101 N 1.62 3.33 -0.15 0.00 3.76 -1.26 -2.05 115.29 120.54 1x5j s HIS 101 Ca 0.08 0.64 -0.00 0.00 -0.15 0.00 0.00 55.06 55.63 1x5j s HIS 101 Cb -0.15 -2.61 0.03 0.00 1.11 0.00 0.00 32.58 30.96 1x5j s HIS 101 CO 0.09 -0.12 -0.08 0.20 -0.85 0.00 0.00 174.74 173.98 1x5j s GLY 102 N 1.25 0.98 -0.52 -2.22 0.00 -1.02 -4.99 107.32 100.81 1x5j s GLY 102 Ca 0.20 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 43.93 1x5j s GLY 102 CO 0.09 0.81 0.61 -1.59 0.00 0.00 0.00 173.10 173.02 1x5j s THR 103 N 1.60 4.92 1.04 0.90 2.01 -1.26 -3.56 115.64 121.29 1x5j s THR 103 Ca 0.02 -0.66 -0.16 0.00 0.31 0.00 0.00 61.69 61.21 1x5j s THR 103 Cb -0.14 -4.31 0.08 0.00 0.01 0.00 0.00 72.50 68.14 1x5j s THR 103 CO -0.08 -0.83 0.23 0.35 -0.69 0.00 0.00 174.62 173.60 1x5j n THR 104 N 5.55 0.00 -1.86 -0.82 -2.24 -1.26 -4.91 114.28 108.75 1x5j n THR 104 Ca -0.08 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 1x5j n THR 104 Cb 0.45 -0.63 0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1x5j n THR 104 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1x5j s PHE 105 N -2.32 3.46 0.30 4.78 0.08 -1.26 -3.41 117.98 119.60 1x5j s PHE 105 Ca 0.57 1.19 -0.29 0.00 0.12 0.00 0.00 56.93 58.52 1x5j s PHE 105 Cb -0.17 -2.88 -0.10 0.00 -0.57 0.00 0.00 43.02 39.30 1x5j s PHE 105 CO 0.67 -0.94 1.27 -1.21 -0.10 0.00 0.00 175.22 174.90 1x5j s GLU 106 N -5.25 4.42 -0.24 0.44 2.02 -1.26 -3.06 118.70 115.78 1x5j s GLU 106 Ca 0.57 2.10 -0.10 0.00 0.02 0.00 0.00 54.97 57.56 1x5j s GLU 106 Cb -0.11 -3.12 -0.11 0.00 0.10 0.00 0.00 34.13 30.89 1x5j s GLU 106 CO 0.53 -0.12 -0.29 -0.11 0.02 0.00 0.00 175.26 175.29 1x5j n LEU 107 N 1.24 1.88 -4.23 1.80 7.94 -1.26 -4.83 117.00 119.54 1x5j n LEU 107 Ca 0.01 0.23 -0.42 0.00 -1.11 0.00 0.00 56.01 54.72 1x5j n LEU 107 Cb 0.43 -0.72 -0.06 0.00 0.53 0.00 0.00 43.42 43.60 1x5j n LEU 107 CO 0.58 0.56 0.22 -0.55 -1.11 0.00 0.00 177.39 177.09 1x5j s SER 108 N -7.01 6.06 0.00 1.96 0.15 -1.26 -4.69 113.70 108.91 1x5j s SER 108 Ca -0.33 -2.64 0.00 0.00 0.70 0.00 0.00 55.95 53.68 1x5j s SER 108 Cb 0.12 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1x5j s SER 108 CO 0.44 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x5j n GLY 109 N 3.94 0.56 3.75 9.45 0.00 -1.26 -5.12 105.19 116.51 1x5j n GLY 109 Ca 0.08 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 4.42 -0.09 1.61 0.04 -1.26 -4.94 135.00 134.78 1x5j s PRO 110 Ca 0.00 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.02 1x5j s PRO 110 Cb 0.00 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.40 1x5j s PRO 110 CO 0.00 -0.16 0.22 -1.54 0.04 0.00 0.00 177.00 175.56 1x5j s SER 111 N -0.04 -0.23 -0.17 6.66 1.04 -1.26 -5.14 113.70 114.55 1x5j s SER 111 Ca 0.53 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1x5j s SER 111 Cb -0.36 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.22 1x5j s SER 111 CO 0.42 -0.10 -0.08 -0.44 0.98 0.00 0.00 173.24 174.01 1x5j s SER 112 N 0.48 2.95 0.00 7.02 0.01 -1.26 -5.13 113.70 117.77 1x5j s SER 112 Ca -0.03 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1x5j s SER 112 Cb -0.04 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.13 1x5j s SER 112 CO -0.02 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.09