#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 1.85 -0.19 1.61 0.01 -1.26 -5.17 113.70 110.55 1x5j s SER 2 Ca 0.00 -1.35 -0.25 0.00 1.31 0.00 0.00 55.95 55.66 1x5j s SER 2 Cb 0.00 0.02 0.07 0.00 0.21 0.00 0.00 66.02 66.32 1x5j s SER 2 CO 0.00 -0.63 0.67 -0.55 0.41 0.00 0.00 173.24 173.14 1x5j s SER 3 N -3.39 -0.68 -0.09 2.44 0.15 -1.26 -5.13 113.70 105.74 1x5j s SER 3 Ca 0.35 1.15 -0.30 0.00 0.70 0.00 0.00 55.95 57.86 1x5j s SER 3 Cb 0.08 1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 65.47 1x5j s SER 3 CO 0.14 -0.35 1.45 -0.83 1.20 0.00 0.00 173.24 174.85 1x5j s GLY 4 N -0.12 1.64 -0.07 9.45 0.00 -1.26 -4.99 107.32 111.96 1x5j s GLY 4 Ca -0.03 0.74 -0.15 0.00 0.00 0.00 0.00 44.72 45.27 1x5j s GLY 4 CO 0.04 2.73 0.37 -0.56 0.00 0.00 0.00 173.10 175.67 1x5j s SER 5 N 2.53 -0.31 0.00 1.64 0.01 -1.26 -5.10 113.70 111.21 1x5j s SER 5 Ca 0.64 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1x5j s SER 5 Cb -0.28 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1x5j s SER 5 CO 0.23 -0.32 0.00 -1.20 0.41 0.00 0.00 173.24 172.36 1x5j n SER 6 N 1.95 0.00 -2.68 2.44 7.64 -1.26 -4.97 113.62 116.75 1x5j n SER 6 Ca -0.18 0.25 -0.05 0.00 1.01 0.00 0.00 58.87 59.90 1x5j n SER 6 Cb 0.57 -0.30 0.07 0.00 -1.01 0.00 0.00 64.21 63.54 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 2.15 -0.50 1.03 0.23 0.00 -1.26 -5.16 105.19 101.67 1x5j n GLY 7 Ca 0.00 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 1x5j n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5j n PRO 8 N 0.04 -1.66 -1.67 1.61 -0.04 -1.26 -4.90 135.00 127.12 1x5j n PRO 8 Ca -0.09 -0.51 -0.48 0.00 -0.04 0.00 0.00 63.50 62.38 1x5j n PRO 8 Cb 0.73 -0.48 -0.05 0.00 -0.04 0.00 0.00 33.50 33.66 1x5j n PRO 8 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1x5j n MET 9 N -2.50 2.03 -2.73 0.54 2.81 -1.19 -4.94 117.12 111.15 1x5j n MET 9 Ca 0.04 0.74 -0.39 0.00 -1.81 0.00 0.00 57.70 56.28 1x5j n MET 9 Cb 0.17 -2.52 -0.06 0.00 -0.71 0.00 0.00 33.22 30.11 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 2.03 4.73 0.87 0.03 0.23 -1.26 -3.83 119.30 122.11 1x5j s MET 10 Ca 0.85 1.47 -0.11 0.00 -1.03 0.00 0.00 55.69 56.86 1x5j s MET 10 Cb -0.72 -3.10 0.11 0.00 -1.53 0.00 0.00 34.83 29.59 1x5j s MET 10 CO 0.44 0.40 1.09 -1.25 -2.03 0.00 0.00 175.02 173.67 1x5j s PRO 11 N -1.51 1.45 1.23 3.16 0.04 -1.26 -4.84 135.00 133.28 1x5j s PRO 11 Ca 0.45 0.89 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 1x5j s PRO 11 Cb -0.24 -1.83 0.30 0.00 0.04 0.00 0.00 34.50 32.77 1x5j s PRO 11 CO 0.30 -2.12 1.11 -1.25 0.04 0.00 0.00 177.00 175.08 1x5j s PRO 12 N -4.93 -1.46 0.24 0.56 0.04 -1.26 -4.94 135.00 123.25 1x5j s PRO 12 Ca 0.63 -0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.45 1x5j s PRO 12 Cb -0.18 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 1x5j s PRO 12 CO 0.57 -3.86 0.34 0.14 0.04 0.00 0.00 177.00 174.24 1x5j s VAL 13 N -3.01 0.00 -0.56 -0.36 -7.23 -0.25 -4.74 120.40 104.25 1x5j s VAL 13 Ca 0.72 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1x5j s VAL 13 Cb -0.08 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.50 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 -0.36 0.72 3.55 2.32 0.00 -1.26 -0.61 105.19 109.55 1x5j n GLY 14 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.59 -0.07 -4.49 1.61 0.31 -1.26 -4.46 118.33 107.38 1x5j n VAL 15 Ca -0.05 -0.71 -0.26 0.00 -0.01 0.00 0.00 64.34 63.31 1x5j n VAL 15 Cb 0.30 -2.51 -0.13 0.00 -0.91 0.00 0.00 33.84 30.59 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 8.41 1.34 -0.36 5.55 -0.21 -1.14 -4.61 119.66 128.63 1x5j s GLN 16 Ca 1.02 -1.12 -0.06 0.00 0.02 0.00 0.00 55.36 55.22 1x5j s GLN 16 Cb -0.28 -1.59 0.06 0.00 1.00 0.00 0.00 33.01 32.20 1x5j s GLN 16 CO 0.27 0.39 0.13 0.00 -2.12 0.00 0.00 175.29 173.96 1x5j s ALA 17 N -0.99 3.07 -0.56 6.09 0.00 -1.26 -2.90 121.76 125.22 1x5j s ALA 17 Ca 0.09 -1.95 -0.24 0.00 0.00 0.00 0.00 51.96 49.86 1x5j s ALA 17 Cb -0.10 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.76 1x5j s ALA 17 CO 0.04 -1.46 0.93 0.45 0.00 0.00 0.00 175.76 175.72 1x5j s SER 18 N 1.58 6.32 -0.11 0.00 0.15 0.58 -4.88 113.70 117.35 1x5j s SER 18 Ca 0.00 -0.43 -0.29 0.00 0.70 0.00 0.00 55.95 55.93 1x5j s SER 18 Cb -0.21 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 1x5j s SER 18 CO 0.01 -1.23 1.72 -0.63 1.20 0.00 0.00 173.24 174.32 1x5j s ILE 19 N 3.89 3.51 -0.14 6.45 -1.09 -1.26 -1.56 121.20 130.99 1x5j s ILE 19 Ca 0.29 0.60 -0.01 0.00 -2.23 0.00 0.00 60.65 59.30 1x5j s ILE 19 Cb -0.13 -3.45 -0.09 0.00 -1.58 0.00 0.00 42.46 37.21 1x5j s ILE 19 CO 0.18 -0.12 -0.14 0.18 -1.23 0.00 0.00 174.94 173.81 1x5j n LEU 20 N 7.96 2.63 0.00 2.97 4.77 -0.80 -5.00 117.00 129.54 1x5j n LEU 20 Ca 0.19 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 1x5j n LEU 20 Cb 0.44 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1x5j n LEU 20 CO 0.64 0.66 0.19 -1.20 -1.33 0.00 0.00 177.39 176.35 1x5j n SER 21 N -3.05 -1.38 0.25 -1.43 7.64 -0.47 -4.95 113.62 110.23 1x5j n SER 21 Ca -0.26 -2.77 0.11 0.00 1.01 0.00 0.00 58.87 56.97 1x5j n SER 21 Cb 0.75 2.53 0.66 0.00 -1.01 0.00 0.00 64.21 67.14 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 1.96 0.00 0.00 1.43 2.07 -1.88 -3.05 115.15 115.68 1x5j h HIS 22 Ca -0.26 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.17 1x5j h HIS 22 Cb 1.13 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.93 1x5j h HIS 22 CO 0.00 0.15 -0.71 -0.40 -3.07 0.00 0.00 177.93 173.90 1x5j n ASP 23 N -3.69 1.14 -3.73 3.10 5.75 -1.26 -4.04 116.55 113.83 1x5j n ASP 23 Ca -0.02 -2.60 -0.19 0.00 -0.01 0.00 0.00 54.79 51.97 1x5j n ASP 23 Cb 0.27 -0.36 -0.17 0.00 -1.03 0.00 0.00 41.12 39.83 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 -1.12 -0.00 0.01 2.12 2.01 -1.15 -2.43 115.64 115.07 1x5j s THR 24 Ca 0.29 0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 1x5j s THR 24 Cb 0.31 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.62 1x5j s THR 24 CO -0.10 0.16 0.01 -0.63 -0.69 0.00 0.00 174.62 173.37 1x5j s ILE 25 N 1.73 0.07 -0.22 1.82 1.01 -1.05 -1.37 121.20 123.19 1x5j s ILE 25 Ca -0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1x5j s ILE 25 Cb -0.12 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.12 1x5j s ILE 25 CO -0.03 -0.33 -0.04 -0.60 0.00 0.00 0.00 174.94 173.93 1x5j s ARG 26 N -1.00 3.35 -0.46 2.79 3.52 -0.60 -2.39 118.95 124.15 1x5j s ARG 26 Ca -0.11 -0.64 -0.07 0.00 -0.13 0.00 0.00 55.73 54.78 1x5j s ARG 26 Cb -0.07 -3.01 0.12 0.00 -1.56 0.00 0.00 34.95 30.44 1x5j s ARG 26 CO -0.00 -0.21 0.32 0.42 -0.81 0.00 0.00 175.30 175.02 1x5j s ILE 27 N 1.47 3.96 -0.14 4.11 -1.09 -0.79 -0.31 121.20 128.42 1x5j s ILE 27 Ca 0.06 -1.91 -0.03 0.00 -2.23 0.00 0.00 60.65 56.54 1x5j s ILE 27 Cb -0.14 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1x5j s ILE 27 CO -0.03 -0.76 -0.03 0.42 -1.23 0.00 0.00 174.94 173.31 1x5j s THR 28 N 1.24 4.01 0.28 2.92 -4.23 -1.14 -0.93 115.64 117.79 1x5j s THR 28 Ca 0.07 -0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.29 1x5j s THR 28 Cb -0.25 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.84 1x5j s THR 28 CO -0.02 0.52 0.15 -2.67 -0.54 0.00 0.00 174.62 172.06 1x5j n TRP 29 N 3.15 -0.17 -3.88 3.99 2.14 -0.84 -2.89 117.44 118.95 1x5j n TRP 29 Ca -0.18 -2.00 -0.09 0.00 2.07 0.00 0.00 57.50 57.31 1x5j n TRP 29 Cb 0.53 0.08 -0.08 0.00 -0.81 0.00 0.00 31.31 31.03 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 -2.89 -0.19 -0.42 -1.67 0.00 0.22 -4.77 121.76 112.05 1x5j s ALA 30 Ca 0.21 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1x5j s ALA 30 Cb 0.01 0.43 0.13 0.00 0.00 0.00 0.00 23.12 23.68 1x5j s ALA 30 CO 0.15 -0.47 0.21 0.34 0.00 0.00 0.00 175.76 175.99 1x5j s ASP 31 N -2.71 3.78 0.34 0.00 2.15 -1.26 -1.09 116.67 117.88 1x5j s ASP 31 Ca 0.03 -2.45 0.22 0.00 0.43 0.00 0.00 52.55 50.78 1x5j s ASP 31 Cb 0.04 -1.05 1.18 0.00 -0.30 0.00 0.00 42.92 42.79 1x5j s ASP 31 CO -0.10 -0.30 1.32 0.59 -0.17 0.00 0.00 175.17 176.52 1x5j n ASN 32 N 3.78 0.24 -0.31 -0.34 3.02 -1.26 0.62 115.26 121.02 1x5j n ASN 32 Ca 0.06 1.30 0.08 0.00 -0.03 0.00 0.00 54.58 55.99 1x5j n ASN 32 Cb 0.36 -0.63 0.20 0.00 -0.61 0.00 0.00 39.78 39.09 1x5j n ASN 32 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x5j h SER 33 N 0.00 -0.53 -2.76 6.41 0.87 -1.97 -3.41 113.55 112.16 1x5j h SER 33 Ca 0.72 0.25 -0.59 0.00 -1.23 0.00 0.00 61.79 60.94 1x5j h SER 33 Cb 2.10 0.46 0.16 0.00 -0.44 0.00 0.00 62.40 64.68 1x5j h SER 33 CO -0.54 -0.27 -0.40 0.18 -0.53 0.00 0.00 176.83 175.27 1x5j n LEU 34 N -5.46 0.47 0.00 2.23 4.77 0.20 -4.98 117.00 114.23 1x5j n LEU 34 Ca 0.17 0.80 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 1x5j n LEU 34 Cb 0.57 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1x5j n LEU 34 CO -0.03 -3.00 0.00 -0.81 -1.33 0.00 0.00 177.39 172.22 1x5j n PRO 35 N 0.20 -0.04 0.12 3.23 -0.04 -1.26 -4.86 135.00 132.35 1x5j n PRO 35 Ca 0.11 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.73 1x5j n PRO 35 Cb 0.45 0.00 0.69 0.00 -0.04 0.00 0.00 33.50 34.60 1x5j n PRO 35 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1x5j h LYS 36 N 0.00 0.00 -4.95 0.54 6.56 -1.95 -3.38 116.57 113.39 1x5j h LYS 36 Ca 0.00 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.93 1x5j h LYS 36 Cb 0.00 0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 31.41 1x5j h LYS 36 CO 0.00 0.00 -0.66 -3.38 -2.06 0.00 0.00 179.45 173.35 1x5j s HIS 37 N -4.97 3.05 -0.68 -1.35 -3.43 -1.26 -5.04 115.29 101.60 1x5j s HIS 37 Ca -0.05 -0.66 -0.26 0.00 -0.80 0.00 0.00 55.06 53.29 1x5j s HIS 37 Cb 0.18 -2.19 -0.06 0.00 -1.43 0.00 0.00 32.58 29.08 1x5j s HIS 37 CO 0.68 -0.45 2.11 -0.65 -2.00 0.00 0.00 174.74 174.43 1x5j s GLN 38 N 1.55 2.31 -0.09 -0.38 1.11 -1.26 -4.90 119.66 118.00 1x5j s GLN 38 Ca 0.06 0.58 -0.04 0.00 0.01 0.00 0.00 55.36 55.97 1x5j s GLN 38 Cb -0.15 -4.66 0.05 0.00 -1.01 0.00 0.00 33.01 27.24 1x5j s GLN 38 CO 0.01 -3.30 0.20 0.21 0.01 0.00 0.00 175.29 172.42 1x5j s LYS 39 N 7.65 0.13 -1.01 2.91 2.20 -1.26 -5.09 119.74 125.27 1x5j s LYS 39 Ca 0.80 0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 56.78 1x5j s LYS 39 Cb -0.12 -0.15 0.19 0.00 -1.51 0.00 0.00 37.83 36.23 1x5j s LYS 39 CO 0.15 -0.21 1.11 0.42 -0.36 0.00 0.00 175.35 176.46 1x5j s ILE 40 N 1.59 5.26 -0.78 5.43 1.01 -1.26 -4.90 121.20 127.55 1x5j s ILE 40 Ca -0.06 -2.40 0.02 0.00 0.00 0.00 0.00 60.65 58.22 1x5j s ILE 40 Cb -0.11 -4.70 0.30 0.00 0.01 0.00 0.00 42.46 37.95 1x5j s ILE 40 CO -0.07 -1.36 1.13 1.07 0.00 0.00 0.00 174.94 175.71 1x5j n THR 41 N 4.39 3.79 -3.69 2.92 5.66 -1.26 -5.01 114.28 121.08 1x5j n THR 41 Ca 0.24 -5.60 -0.08 0.00 -3.05 0.00 0.00 64.05 55.56 1x5j n THR 41 Cb 0.45 -1.82 -0.02 0.00 -1.55 0.00 0.00 70.33 67.39 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 -2.43 -0.36 -1.33 1.09 2.15 -1.26 -5.07 116.67 109.46 1x5j s ASP 42 Ca 0.40 -0.36 -0.17 0.00 0.43 0.00 0.00 52.55 52.85 1x5j s ASP 42 Cb 0.17 0.65 0.05 0.00 -0.30 0.00 0.00 42.92 43.49 1x5j s ASP 42 CO -0.04 -1.16 1.88 -1.20 -0.17 0.00 0.00 175.17 174.48 1x5j n SER 43 N -0.43 4.54 -4.02 -0.34 7.64 -1.26 -4.89 113.62 114.87 1x5j n SER 43 Ca -0.09 -2.89 -0.09 0.00 1.01 0.00 0.00 58.87 56.82 1x5j n SER 43 Cb 0.61 -1.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.01 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 4.08 0.84 -0.02 1.43 1.70 -1.26 -4.69 118.95 121.04 1x5j s ARG 44 Ca 0.53 -1.19 -0.07 0.00 -0.47 0.00 0.00 55.73 54.53 1x5j s ARG 44 Cb 0.07 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 1x5j s ARG 44 CO 0.04 -0.24 0.14 1.52 -1.08 0.00 0.00 175.30 175.68 1x5j s TYR 45 N -3.94 -0.02 -0.15 5.89 1.13 -1.13 -4.93 117.35 114.20 1x5j s TYR 45 Ca 0.12 0.02 -0.07 0.00 -1.41 0.00 0.00 57.07 55.74 1x5j s TYR 45 Cb 0.06 -0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.86 1x5j s TYR 45 CO -0.06 -0.23 0.08 0.71 -2.51 0.00 0.00 175.55 173.54 1x5j s TYR 46 N -0.97 3.33 -0.23 -3.49 2.02 -1.23 -2.85 117.35 113.93 1x5j s TYR 46 Ca -0.11 0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1x5j s TYR 46 Cb -0.06 -2.01 0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1x5j s TYR 46 CO 0.01 0.35 -0.11 0.99 -1.57 0.00 0.00 175.55 175.22 1x5j s THR 47 N -0.15 2.49 -0.22 -0.71 2.01 -0.86 -2.52 115.64 115.68 1x5j s THR 47 Ca 0.08 -1.11 -0.11 0.00 0.31 0.00 0.00 61.69 60.86 1x5j s THR 47 Cb -0.12 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1x5j s THR 47 CO 0.01 0.27 0.17 -0.69 -0.69 0.00 0.00 174.62 173.69 1x5j s VAL 48 N 1.27 5.37 0.05 3.82 1.01 -0.68 -2.61 120.40 128.64 1x5j s VAL 48 Ca -0.00 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1x5j s VAL 48 Cb -0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1x5j s VAL 48 CO -0.07 0.38 -0.20 0.00 0.00 0.00 0.00 175.10 175.21 1x5j s ARG 49 N 0.74 1.97 0.04 2.72 1.70 -0.36 0.70 118.95 126.45 1x5j s ARG 49 Ca 0.09 -1.04 -0.08 0.00 -0.47 0.00 0.00 55.73 54.23 1x5j s ARG 49 Cb -0.12 -2.14 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 1x5j s ARG 49 CO 0.02 0.52 0.17 1.67 -1.08 0.00 0.00 175.30 176.60 1x5j s TRP 50 N -0.94 0.09 0.22 5.89 -2.14 -1.24 -1.19 118.94 119.62 1x5j s TRP 50 Ca 0.15 -0.32 -0.01 0.00 2.66 0.00 0.00 56.10 58.58 1x5j s TRP 50 Cb -0.10 -0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.21 1x5j s TRP 50 CO 0.05 -0.41 0.30 0.36 -2.66 0.00 0.00 176.95 174.60 1x5j n LYS 51 N 0.75 0.43 -4.58 3.25 2.85 -1.26 -2.97 118.16 116.64 1x5j n LYS 51 Ca -0.19 -1.75 -0.28 0.00 -1.05 0.00 0.00 58.31 55.04 1x5j n LYS 51 Cb 0.59 1.68 -0.14 0.00 -0.65 0.00 0.00 35.03 36.51 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 -2.67 2.06 0.07 0.58 -4.23 -1.26 -4.01 115.64 106.18 1x5j s THR 52 Ca 0.18 -1.53 -0.15 0.00 -1.18 0.00 0.00 61.69 59.01 1x5j s THR 52 Cb -0.01 -1.81 -0.20 0.00 1.34 0.00 0.00 72.50 71.82 1x5j s THR 52 CO 0.13 0.17 1.22 -1.13 -0.54 0.00 0.00 174.62 174.47 1x5j h ASN 53 N 4.33 0.84 -3.25 3.99 -0.73 -1.93 -3.44 115.58 115.39 1x5j h ASN 53 Ca -0.48 -0.69 -0.61 0.00 1.87 0.00 0.00 56.30 56.39 1x5j h ASN 53 Cb 1.16 -0.25 -0.34 0.00 0.27 0.00 0.00 38.32 39.15 1x5j h ASN 53 CO 0.41 1.41 -0.84 -0.63 -0.37 0.00 0.00 177.43 177.41 1x5j s ILE 54 N -3.49 1.66 1.01 2.57 1.01 -1.26 -2.38 121.20 120.31 1x5j s ILE 54 Ca -0.11 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1x5j s ILE 54 Cb 0.07 -1.50 0.19 0.00 0.01 0.00 0.00 42.46 41.23 1x5j s ILE 54 CO 0.89 0.47 1.09 -2.16 0.00 0.00 0.00 174.94 175.24 1x5j s PRO 55 N 0.94 0.35 0.05 2.79 0.04 -1.26 -5.09 135.00 132.83 1x5j s PRO 55 Ca -0.07 0.50 -0.20 0.00 0.04 0.00 0.00 61.00 61.27 1x5j s PRO 55 Cb -0.15 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 1x5j s PRO 55 CO -0.02 -2.78 1.43 0.00 0.04 0.00 0.00 177.00 175.67 1x5j h ALA 56 N -1.93 0.24 -1.72 8.56 0.00 -1.76 -3.40 119.26 119.25 1x5j h ALA 56 Ca -0.55 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 53.52 1x5j h ALA 56 Cb 1.33 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 1x5j h ALA 56 CO 0.58 0.02 0.75 -0.80 0.00 0.00 0.00 179.25 179.80 1x5j s ASN 57 N -5.96 6.40 -0.18 0.00 0.01 -1.26 -4.95 114.94 109.00 1x5j s ASN 57 Ca -0.14 -0.11 -0.12 0.00 -0.71 0.00 0.00 52.86 51.77 1x5j s ASN 57 Cb 0.06 -2.49 0.06 0.00 0.41 0.00 0.00 41.25 39.28 1x5j s ASN 57 CO 0.74 -1.33 0.45 0.42 -1.51 0.00 0.00 177.10 175.87 1x5j s THR 58 N 4.38 -0.01 1.12 1.60 -4.23 -1.26 -5.12 115.64 112.11 1x5j s THR 58 Ca 0.36 0.05 -0.18 0.00 -1.18 0.00 0.00 61.69 60.74 1x5j s THR 58 Cb -0.10 -0.66 0.11 0.00 1.34 0.00 0.00 72.50 73.19 1x5j s THR 58 CO 0.22 0.02 0.03 2.29 -0.54 0.00 0.00 174.62 176.65 1x5j n LYS 59 N 3.73 -1.56 -4.19 3.99 2.85 -1.26 -4.93 118.16 116.78 1x5j n LYS 59 Ca -0.19 -0.44 -0.32 0.00 -1.05 0.00 0.00 58.31 56.30 1x5j n LYS 59 Cb 0.56 -1.71 -0.08 0.00 -0.65 0.00 0.00 35.03 33.15 1x5j n LYS 59 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1x5j s TYR 60 N -2.24 3.16 0.48 5.58 2.02 -1.26 -4.84 117.35 120.24 1x5j s TYR 60 Ca 0.56 0.12 0.07 0.00 -0.37 0.00 0.00 57.07 57.45 1x5j s TYR 60 Cb -0.12 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1x5j s TYR 60 CO 0.66 0.50 0.40 0.15 -1.57 0.00 0.00 175.55 175.69 1x5j s LYS 61 N -1.71 2.37 -0.02 -0.62 1.02 -1.16 -5.02 119.74 114.61 1x5j s LYS 61 Ca 0.22 -1.78 -0.24 0.00 0.02 0.00 0.00 55.97 54.19 1x5j s LYS 61 Cb -0.12 -2.24 0.05 0.00 -0.52 0.00 0.00 37.83 35.00 1x5j s LYS 61 CO 0.13 -0.41 0.54 0.54 -0.92 0.00 0.00 175.35 175.22 1x5j s ASN 62 N -4.21 -0.48 -0.06 2.83 2.20 -1.26 -3.72 114.94 110.25 1x5j s ASN 62 Ca 0.43 0.41 0.00 0.00 -0.94 0.00 0.00 52.86 52.76 1x5j s ASN 62 Cb -0.02 0.46 0.02 0.00 -2.00 0.00 0.00 41.25 39.72 1x5j s ASN 62 CO 0.25 -0.59 -0.04 0.00 -2.94 0.00 0.00 177.10 173.78 1x5j s ALA 63 N -1.54 0.75 -0.34 3.54 0.00 0.22 -4.94 121.76 119.46 1x5j s ALA 63 Ca -0.10 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 1x5j s ALA 63 Cb -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1x5j s ALA 63 CO 0.06 -0.14 0.55 0.54 0.00 0.00 0.00 175.76 176.76 1x5j s ASN 64 N 1.21 6.37 -0.30 0.00 4.22 -1.26 -1.69 114.94 123.49 1x5j s ASN 64 Ca -0.06 0.10 -0.10 0.00 -2.14 0.00 0.00 52.86 50.67 1x5j s ASN 64 Cb -0.14 -2.29 0.15 0.00 1.28 0.00 0.00 41.25 40.26 1x5j s ASN 64 CO -0.02 -0.49 0.74 0.00 -2.04 0.00 0.00 177.10 175.30 1x5j s ALA 65 N 2.48 -2.32 -0.78 3.54 0.00 -1.05 -5.06 121.76 118.57 1x5j s ALA 65 Ca 0.21 2.13 -0.23 0.00 0.00 0.00 0.00 51.96 54.08 1x5j s ALA 65 Cb -0.15 -1.96 0.07 0.00 0.00 0.00 0.00 23.12 21.08 1x5j s ALA 65 CO 0.13 -1.04 1.13 0.95 0.00 0.00 0.00 175.76 176.93 1x5j s THR 66 N 2.79 4.23 -0.01 0.00 -4.23 -1.26 -3.58 115.64 113.58 1x5j s THR 66 Ca 0.00 -0.52 -0.30 0.00 -1.18 0.00 0.00 61.69 59.69 1x5j s THR 66 Cb -0.11 -4.80 0.11 0.00 1.34 0.00 0.00 72.50 69.04 1x5j s THR 66 CO -0.19 -1.61 1.29 0.28 -0.54 0.00 0.00 174.62 173.85 1x5j s THR 67 N 4.23 0.00 -0.76 3.99 -1.32 -1.26 -4.98 115.64 115.54 1x5j s THR 67 Ca 0.30 -0.21 0.12 0.00 -1.21 0.00 0.00 61.69 60.69 1x5j s THR 67 Cb -0.10 -2.26 0.59 0.00 -1.51 0.00 0.00 72.50 69.21 1x5j s THR 67 CO 0.04 0.00 1.43 0.18 -2.21 0.00 0.00 174.62 174.06 1x5j n LEU 68 N -0.60 4.22 -3.64 9.08 4.77 -1.26 -4.86 117.00 124.71 1x5j n LEU 68 Ca -0.05 -2.14 -0.09 0.00 -0.03 0.00 0.00 56.01 53.70 1x5j n LEU 68 Cb 0.62 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1x5j n LEU 68 CO 0.13 0.57 0.54 -0.94 -1.33 0.00 0.00 177.39 176.36 1x5j s SER 69 N -0.66 -0.67 -0.09 -1.43 1.04 -1.26 -1.98 113.70 108.65 1x5j s SER 69 Ca 0.40 1.19 0.01 0.00 0.48 0.00 0.00 55.95 58.03 1x5j s SER 69 Cb 0.29 1.24 0.02 0.00 0.10 0.00 0.00 66.02 67.66 1x5j s SER 69 CO 0.15 -0.20 -0.10 -0.47 0.98 0.00 0.00 173.24 173.60 1x5j s TYR 70 N 0.78 1.45 -0.41 5.02 5.04 -0.11 -5.00 117.35 124.12 1x5j s TYR 70 Ca -0.03 -0.63 -0.17 0.00 -2.44 0.00 0.00 57.07 53.80 1x5j s TYR 70 Cb -0.05 -1.14 0.02 0.00 0.35 0.00 0.00 41.96 41.14 1x5j s TYR 70 CO -0.09 -0.40 0.44 -1.17 -1.34 0.00 0.00 175.55 173.00 1x5j s LEU 71 N 1.20 4.78 0.14 6.97 1.98 -1.26 -1.88 118.68 130.59 1x5j s LEU 71 Ca -0.05 -0.58 -0.05 0.00 -2.89 0.00 0.00 54.13 50.56 1x5j s LEU 71 Cb -0.14 -2.41 -0.06 0.00 0.66 0.00 0.00 46.19 44.25 1x5j s LEU 71 CO -0.03 -0.56 0.38 -0.69 -1.89 0.00 0.00 176.35 173.56 1x5j s VAL 72 N 2.17 5.16 -0.13 1.68 1.01 -1.01 -5.00 120.40 124.28 1x5j s VAL 72 Ca 0.13 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1x5j s VAL 72 Cb -0.17 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1x5j s VAL 72 CO 0.14 0.06 0.41 0.42 0.00 0.00 0.00 175.10 176.13 1x5j s THR 73 N -1.64 0.01 0.00 3.92 -4.23 -1.26 -2.54 115.64 109.90 1x5j s THR 73 Ca 0.40 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1x5j s THR 73 Cb -0.12 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.12 1x5j s THR 73 CO 0.24 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1x5j n GLY 74 N 2.59 0.93 3.66 3.99 0.00 -1.02 -5.04 105.19 110.31 1x5j n GLY 74 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.24 0.28 0.99 1.43 -1.26 -5.09 118.68 118.26 1x5j s LEU 75 Ca 0.00 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 1x5j s LEU 75 Cb 0.00 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.37 1x5j s LEU 75 CO 0.00 -0.01 0.91 -0.54 0.23 0.00 0.00 176.35 176.93 1x5j s LYS 76 N -3.69 4.63 0.69 1.70 -0.14 -1.26 -4.39 119.74 117.28 1x5j s LYS 76 Ca 0.32 1.31 -0.14 0.00 -1.36 0.00 0.00 55.97 56.11 1x5j s LYS 76 Cb -0.06 -2.98 0.02 0.00 -1.68 0.00 0.00 37.83 33.12 1x5j s LYS 76 CO 0.20 0.38 1.10 -1.25 -0.76 0.00 0.00 175.35 175.03 1x5j s PRO 77 N -1.72 2.64 -1.41 -1.68 0.04 -1.26 -3.70 135.00 127.91 1x5j s PRO 77 Ca 0.46 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 1x5j s PRO 77 Cb -0.21 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1x5j s PRO 77 CO 0.26 -1.37 0.08 -1.71 0.04 0.00 0.00 177.00 174.30 1x5j n ASN 78 N -2.75 0.31 -3.98 6.66 4.05 -1.03 -4.92 115.26 113.59 1x5j n ASN 78 Ca 0.10 -1.20 -0.13 0.00 0.45 0.00 0.00 54.58 53.80 1x5j n ASN 78 Cb 0.52 -1.48 -0.13 0.00 1.23 0.00 0.00 39.78 39.93 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1x5j s THR 79 N -4.21 0.32 0.09 -0.44 2.01 -1.24 -4.99 115.64 107.17 1x5j s THR 79 Ca 0.06 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.16 1x5j s THR 79 Cb -0.03 -0.36 -0.08 0.00 0.01 0.00 0.00 72.50 72.05 1x5j s THR 79 CO 0.93 -0.19 1.43 -0.22 -0.69 0.00 0.00 174.62 175.89 1x5j s LEU 80 N -0.83 4.36 -0.14 4.42 1.98 -1.26 -3.87 118.68 123.33 1x5j s LEU 80 Ca -0.06 2.33 -0.09 0.00 -2.89 0.00 0.00 54.13 53.42 1x5j s LEU 80 Cb -0.06 -3.58 0.05 0.00 0.66 0.00 0.00 46.19 43.26 1x5j s LEU 80 CO -0.00 -0.70 0.35 -0.31 -1.89 0.00 0.00 176.35 173.80 1x5j s TYR 81 N 1.52 -0.48 0.45 5.38 2.02 -1.21 -3.82 117.35 121.21 1x5j s TYR 81 Ca 0.66 1.07 0.04 0.00 -0.37 0.00 0.00 57.07 58.48 1x5j s TYR 81 Cb -0.37 0.18 -0.05 0.00 -0.40 0.00 0.00 41.96 41.32 1x5j s TYR 81 CO 0.30 -0.28 0.01 -1.83 -1.57 0.00 0.00 175.55 172.18 1x5j s GLU 82 N 1.10 2.05 -0.11 -0.62 4.04 -1.26 0.15 118.70 124.06 1x5j s GLU 82 Ca -0.07 -2.23 -0.17 0.00 0.04 0.00 0.00 54.97 52.54 1x5j s GLU 82 Cb -0.08 -1.56 0.04 0.00 0.02 0.00 0.00 34.13 32.55 1x5j s GLU 82 CO -0.09 -0.19 0.42 -0.06 -1.84 0.00 0.00 175.26 173.50 1x5j s PHE 83 N -2.80 -0.41 0.02 4.83 0.40 0.14 -4.05 117.98 116.11 1x5j s PHE 83 Ca 0.23 0.89 0.02 0.00 -0.60 0.00 0.00 56.93 57.47 1x5j s PHE 83 Cb 0.06 0.17 -0.02 0.00 0.51 0.00 0.00 43.02 43.74 1x5j s PHE 83 CO 0.12 -0.31 -0.08 -1.12 0.70 0.00 0.00 175.22 174.52 1x5j s SER 84 N -0.37 0.91 -0.00 1.36 0.01 -0.33 -0.68 113.70 114.59 1x5j s SER 84 Ca -0.05 -0.37 0.07 0.00 1.31 0.00 0.00 55.95 56.91 1x5j s SER 84 Cb -0.03 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 1x5j s SER 84 CO 0.03 -0.07 -0.22 -0.69 0.41 0.00 0.00 173.24 172.70 1x5j s VAL 85 N -0.84 1.78 0.00 3.43 1.01 -1.26 -1.23 120.40 123.29 1x5j s VAL 85 Ca -0.04 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1x5j s VAL 85 Cb -0.07 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1x5j s VAL 85 CO 0.00 0.44 0.05 0.00 0.00 0.00 0.00 175.10 175.59 1x5j s MET 86 N -0.69 0.32 -0.16 2.72 0.23 -1.07 -3.20 119.30 117.44 1x5j s MET 86 Ca 0.09 -0.39 -0.04 0.00 -1.03 0.00 0.00 55.69 54.32 1x5j s MET 86 Cb -0.09 0.13 -0.03 0.00 -1.53 0.00 0.00 34.83 33.31 1x5j s MET 86 CO -0.00 -0.06 -0.03 0.54 -2.03 0.00 0.00 175.02 173.43 1x5j s VAL 87 N -1.11 3.90 -0.02 5.16 0.11 -1.26 -2.03 120.40 125.15 1x5j s VAL 87 Ca -0.12 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1x5j s VAL 87 Cb -0.07 -2.72 0.02 0.00 -1.53 0.00 0.00 36.38 32.08 1x5j s VAL 87 CO 0.00 0.48 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.36 1x5j s THR 88 N 0.46 0.17 -0.36 5.04 2.01 -1.13 -1.67 115.64 120.15 1x5j s THR 88 Ca -0.03 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1x5j s THR 88 Cb -0.14 -0.24 0.46 0.00 0.01 0.00 0.00 72.50 72.60 1x5j s THR 88 CO 0.03 0.12 1.41 2.29 -0.69 0.00 0.00 174.62 177.77 1x5j n LYS 89 N 3.85 3.06 0.00 4.92 2.85 0.41 -2.85 118.16 130.40 1x5j n LYS 89 Ca -0.23 -3.80 0.00 0.00 -1.05 0.00 0.00 58.31 53.22 1x5j n LYS 89 Cb 0.52 -2.18 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 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 -0.84 1.45 0.10 2.58 0.00 -1.26 -4.43 105.19 102.80 1x5j n GLY 90 Ca 0.45 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 0.67 -3.60 1.61 3.00 -1.26 -4.90 116.66 112.18 1x5j n ARG 91 Ca 0.00 0.23 -0.37 0.00 -0.01 0.00 0.00 57.85 57.69 1x5j n ARG 91 Cb 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 32.46 30.69 1x5j n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1x5j s ARG 92 N -2.57 3.86 0.32 5.56 1.81 -1.26 -5.08 118.95 121.59 1x5j s ARG 92 Ca -0.11 0.22 -0.04 0.00 -1.72 0.00 0.00 55.73 54.07 1x5j s ARG 92 Cb 0.07 -3.25 -0.00 0.00 -0.45 0.00 0.00 34.95 31.32 1x5j s ARG 92 CO 0.80 0.62 0.46 -1.54 -0.68 0.00 0.00 175.30 174.96 1x5j s SER 93 N -0.75 0.70 0.06 0.23 1.04 -1.26 -0.44 113.70 113.27 1x5j s SER 93 Ca 0.20 -1.39 0.04 0.00 0.48 0.00 0.00 55.95 55.28 1x5j s SER 93 Cb -0.15 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1x5j s SER 93 CO 0.09 -1.25 -0.12 -0.94 0.98 0.00 0.00 173.24 172.00 1x5j s SER 94 N -3.20 1.36 1.25 7.02 1.04 -0.67 -3.18 113.70 117.32 1x5j s SER 94 Ca 0.30 -0.56 -0.18 0.00 0.48 0.00 0.00 55.95 55.98 1x5j s SER 94 Cb -0.00 -0.03 0.27 0.00 0.10 0.00 0.00 66.02 66.36 1x5j s SER 94 CO 0.18 -0.10 0.62 1.07 0.98 0.00 0.00 173.24 175.98 1x5j n THR 95 N 1.46 0.00 -2.84 2.02 5.66 -1.26 -4.45 114.28 114.88 1x5j n THR 95 Ca -0.21 -0.16 -0.43 0.00 -3.05 0.00 0.00 64.05 60.20 1x5j n THR 95 Cb 0.54 -0.80 -0.04 0.00 -1.55 0.00 0.00 70.33 68.48 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 -2.18 2.76 1.01 1.09 0.52 -1.26 -4.58 118.94 116.30 1x5j s TRP 96 Ca 0.58 -0.12 -0.21 0.00 0.02 0.00 0.00 56.10 56.36 1x5j s TRP 96 Cb -0.13 -4.12 -0.13 0.00 -1.15 0.00 0.00 33.47 27.94 1x5j s TRP 96 CO 0.54 -1.42 -0.93 -1.13 0.02 0.00 0.00 176.95 174.03 1x5j n SER 97 N 7.53 -4.27 -4.35 2.95 3.41 -1.19 -4.51 113.62 113.18 1x5j n SER 97 Ca 0.01 0.10 -0.54 0.00 -0.26 0.00 0.00 58.87 58.18 1x5j n SER 97 Cb 0.47 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.60 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 1.78 0.45 -1.71 4.33 0.00 -1.26 -4.72 117.12 115.99 1x5j n MET 98 Ca -0.01 0.11 -0.56 0.00 0.00 0.00 0.00 57.70 57.24 1x5j n MET 98 Cb 0.64 -1.93 -0.07 0.00 0.00 0.00 0.00 33.22 31.86 1x5j n MET 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1x5j n THR 99 N 6.90 0.33 -3.08 3.17 -1.04 -1.26 -4.87 114.28 114.43 1x5j n THR 99 Ca 0.50 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.05 62.05 1x5j n THR 99 Cb 0.09 -1.30 -0.05 0.00 -1.82 0.00 0.00 70.33 67.24 1x5j n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x5j s ALA 100 N 3.53 3.49 -0.07 2.41 0.00 0.15 -4.86 121.76 126.41 1x5j s ALA 100 Ca 0.97 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.73 1x5j s ALA 100 Cb -1.02 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 1x5j s ALA 100 CO 0.63 -0.43 0.21 -1.01 0.00 0.00 0.00 175.76 175.17 1x5j s HIS 101 N 1.60 3.61 -0.20 0.00 3.76 -1.26 0.24 115.29 123.04 1x5j s HIS 101 Ca 0.32 0.59 -0.07 0.00 -0.15 0.00 0.00 55.06 55.75 1x5j s HIS 101 Cb -0.16 -1.99 0.09 0.00 1.11 0.00 0.00 32.58 31.62 1x5j s HIS 101 CO 0.12 0.69 0.43 0.20 -0.85 0.00 0.00 174.74 175.33 1x5j s GLY 102 N -1.26 -0.37 -0.25 -2.22 0.00 0.12 -4.72 107.32 98.63 1x5j s GLY 102 Ca 0.20 1.55 -0.15 0.00 0.00 0.00 0.00 44.72 46.31 1x5j s GLY 102 CO 0.09 2.32 0.39 -1.59 0.00 0.00 0.00 173.10 174.31 1x5j s THR 103 N 2.42 5.17 0.58 0.90 2.01 -1.26 -3.29 115.64 122.17 1x5j s THR 103 Ca -0.03 0.64 -0.17 0.00 0.31 0.00 0.00 61.69 62.44 1x5j s THR 103 Cb -0.11 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1x5j s THR 103 CO -0.13 0.18 1.07 0.42 -0.69 0.00 0.00 174.62 175.47 1x5j s THR 104 N 1.84 3.68 0.93 -0.82 -4.23 -1.25 -4.95 115.64 110.83 1x5j s THR 104 Ca 0.17 0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 61.41 1x5j s THR 104 Cb -0.15 -3.35 0.15 0.00 1.34 0.00 0.00 72.50 70.49 1x5j s THR 104 CO 0.09 -0.42 1.10 -0.36 -0.54 0.00 0.00 174.62 174.49 1x5j s PHE 105 N -2.31 2.33 0.42 3.99 0.08 -1.26 -2.47 117.98 118.76 1x5j s PHE 105 Ca 0.65 1.08 -0.23 0.00 0.12 0.00 0.00 56.93 58.55 1x5j s PHE 105 Cb -0.17 -3.23 -0.09 0.00 -0.57 0.00 0.00 43.02 38.96 1x5j s PHE 105 CO 0.34 -2.51 1.05 -1.21 -0.10 0.00 0.00 175.22 172.80 1x5j s GLU 106 N -5.03 4.06 -1.14 0.44 0.41 -1.26 -2.77 118.70 113.40 1x5j s GLU 106 Ca 0.64 1.49 -0.19 0.00 -0.41 0.00 0.00 54.97 56.50 1x5j s GLU 106 Cb -0.17 -2.43 0.09 0.00 -1.78 0.00 0.00 34.13 29.84 1x5j s GLU 106 CO 0.56 -0.23 1.51 -1.17 -0.49 0.00 0.00 175.26 175.44 1x5j s LEU 107 N -2.86 4.11 -1.19 1.80 0.20 -1.26 -4.47 118.68 115.00 1x5j s LEU 107 Ca 0.60 -2.18 -0.15 0.00 0.69 0.00 0.00 54.13 53.10 1x5j s LEU 107 Cb -0.21 -2.52 0.15 0.00 -0.43 0.00 0.00 46.19 43.18 1x5j s LEU 107 CO 0.26 -1.19 0.38 -1.20 -0.29 0.00 0.00 176.35 174.31 1x5j n SER 108 N 7.82 -1.29 0.00 3.68 7.64 -1.26 -4.40 113.62 125.81 1x5j n SER 108 Ca 0.38 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1x5j n SER 108 Cb 0.47 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1x5j n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5j n GLY 109 N -0.83 2.61 3.73 0.23 0.00 -1.26 -5.02 105.19 104.64 1x5j n GLY 109 Ca 0.08 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.95 4.37 -0.40 1.61 0.04 -1.26 -4.98 135.00 130.42 1x5j s PRO 110 Ca 0.00 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 1x5j s PRO 110 Cb 0.00 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.34 1x5j s PRO 110 CO 0.00 -0.32 0.95 0.45 0.04 0.00 0.00 177.00 178.12 1x5j s SER 111 N 0.65 6.63 -0.23 6.66 0.15 -1.26 -4.88 113.70 121.42 1x5j s SER 111 Ca 0.60 0.46 -0.12 0.00 0.70 0.00 0.00 55.95 57.59 1x5j s SER 111 Cb -0.36 -2.47 -0.10 0.00 -1.71 0.00 0.00 66.02 61.38 1x5j s SER 111 CO 0.35 -0.94 -0.30 -0.24 1.20 0.00 0.00 173.24 173.31 1x5j n SER 112 N 6.96 1.64 0.00 5.45 2.88 -1.26 -5.25 113.62 124.04 1x5j n SER 112 Ca 0.07 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1x5j n SER 112 Cb 0.48 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1x5j n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42