#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5j h SER 2 N 0.00 -1.28 -6.63 1.61 0.87 -2.08 -3.45 113.55 102.58 1x5j h SER 2 Ca 0.00 0.21 -0.53 0.00 -1.23 0.00 0.00 61.79 60.24 1x5j h SER 2 Cb 0.00 0.58 -0.16 0.00 -0.44 0.00 0.00 62.40 62.38 1x5j h SER 2 CO 0.00 -0.35 -0.82 -0.24 -0.53 0.00 0.00 176.83 174.90 1x5j n SER 3 N -5.42 -3.48 -1.93 6.23 2.88 -1.26 -3.10 113.62 107.54 1x5j n SER 3 Ca 0.01 -0.96 -0.01 0.00 -1.33 0.00 0.00 58.87 56.58 1x5j n SER 3 Cb 0.35 -3.04 0.00 0.00 -0.75 0.00 0.00 64.21 60.77 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 -1.50 -0.65 0.13 0.46 0.00 -1.26 -5.00 105.19 97.37 1x5j n GLY 4 Ca 0.04 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1x5j n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x5j h SER 5 N 0.25 0.57 -3.61 1.61 0.87 -1.92 -3.42 113.55 107.90 1x5j h SER 5 Ca 0.00 -0.88 -0.61 0.00 -1.23 0.00 0.00 61.79 59.07 1x5j h SER 5 Cb 0.81 -0.18 -0.11 0.00 -0.44 0.00 0.00 62.40 62.47 1x5j h SER 5 CO 0.08 1.39 0.48 -0.44 -0.53 0.00 0.00 176.83 177.80 1x5j s SER 6 N -7.00 6.50 0.00 6.23 0.01 -1.26 -4.39 113.70 113.78 1x5j s SER 6 Ca -0.13 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1x5j s SER 6 Cb 0.02 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x5j s SER 6 CO 0.85 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1x5j n GLY 7 N 4.83 0.70 3.69 3.44 0.00 -1.26 -5.13 105.19 111.46 1x5j n GLY 7 Ca 0.04 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1x5j n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5j s PRO 8 N 0.00 0.78 0.18 1.61 0.04 -1.26 -4.92 135.00 131.43 1x5j s PRO 8 Ca 0.00 0.65 -0.31 0.00 0.04 0.00 0.00 61.00 61.38 1x5j s PRO 8 Cb 0.00 -1.77 -0.17 0.00 0.04 0.00 0.00 34.50 32.61 1x5j s PRO 8 CO 0.00 -2.52 0.87 -1.33 0.04 0.00 0.00 177.00 174.05 1x5j n MET 9 N -4.05 0.55 -3.25 4.56 2.81 -1.26 -4.91 117.12 111.58 1x5j n MET 9 Ca 0.06 0.20 -0.39 0.00 -1.81 0.00 0.00 57.70 55.75 1x5j n MET 9 Cb 0.56 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 31.53 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 -0.77 4.20 0.68 0.03 -1.94 -1.26 -4.50 119.30 115.73 1x5j s MET 10 Ca 0.70 0.42 -0.14 0.00 -1.71 0.00 0.00 55.69 54.95 1x5j s MET 10 Cb -0.92 -3.55 0.01 0.00 2.01 0.00 0.00 34.83 32.37 1x5j s MET 10 CO 0.56 -0.12 1.11 -1.25 -0.01 0.00 0.00 175.02 175.30 1x5j s PRO 11 N 1.55 2.72 0.03 2.03 0.04 -1.26 -4.80 135.00 135.31 1x5j s PRO 11 Ca 0.24 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 1x5j s PRO 11 Cb -0.15 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1x5j s PRO 11 CO 0.10 -1.31 1.42 -1.25 0.04 0.00 0.00 177.00 176.00 1x5j s PRO 12 N -4.21 4.28 0.57 0.56 0.04 -1.26 -4.80 135.00 130.18 1x5j s PRO 12 Ca 0.66 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.82 1x5j s PRO 12 Cb -0.20 -3.51 0.08 0.00 0.04 0.00 0.00 34.50 30.91 1x5j s PRO 12 CO 0.44 -0.56 0.78 0.14 0.04 0.00 0.00 177.00 177.84 1x5j s VAL 13 N 2.14 2.22 -1.46 -0.36 -7.23 0.16 -4.57 120.40 111.30 1x5j s VAL 13 Ca 0.65 -0.98 -0.08 0.00 -1.81 0.00 0.00 61.98 59.76 1x5j s VAL 13 Cb -0.33 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.40 1x5j s VAL 13 CO 0.28 0.00 0.69 0.61 -0.31 0.00 0.00 175.10 176.37 1x5j n GLY 14 N -2.24 -0.51 3.61 2.32 0.00 -1.26 0.20 105.19 107.31 1x5j n GLY 14 Ca 0.15 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.14 4.30 0.07 1.61 1.01 -1.26 -4.03 120.40 118.96 1x5j s VAL 15 Ca 0.41 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.80 1x5j s VAL 15 Cb -0.19 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 1x5j s VAL 15 CO 0.50 -0.83 -0.08 -1.10 0.00 0.00 0.00 175.10 173.60 1x5j s GLN 16 N 4.20 0.68 -0.18 2.72 -0.21 -1.04 -4.72 119.66 121.11 1x5j s GLN 16 Ca 0.47 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.83 1x5j s GLN 16 Cb -0.09 -0.28 0.01 0.00 1.00 0.00 0.00 33.01 33.65 1x5j s GLN 16 CO 0.26 0.03 -0.16 0.00 -2.12 0.00 0.00 175.29 173.29 1x5j s ALA 17 N -2.37 2.44 -0.38 6.09 0.00 -1.26 -2.89 121.76 123.38 1x5j s ALA 17 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 1x5j s ALA 17 Cb -0.03 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1x5j s ALA 17 CO -0.02 -0.30 0.25 -1.12 0.00 0.00 0.00 175.76 174.57 1x5j s SER 18 N 1.24 5.94 -0.03 0.00 0.01 0.04 -4.93 113.70 115.97 1x5j s SER 18 Ca 0.03 -0.85 -0.30 0.00 1.31 0.00 0.00 55.95 56.14 1x5j s SER 18 Cb -0.14 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 1x5j s SER 18 CO -0.09 -0.39 1.52 -0.63 0.41 0.00 0.00 173.24 174.07 1x5j s ILE 19 N 1.64 3.63 -0.12 1.44 -1.09 -1.26 -1.73 121.20 123.71 1x5j s ILE 19 Ca 0.04 0.90 -0.01 0.00 -2.23 0.00 0.00 60.65 59.35 1x5j s ILE 19 Cb -0.19 -3.58 -0.07 0.00 -1.58 0.00 0.00 42.46 37.04 1x5j s ILE 19 CO 0.09 -0.04 -0.12 0.18 -1.23 0.00 0.00 174.94 173.81 1x5j n LEU 20 N 6.27 2.38 0.00 2.97 4.77 -0.99 -5.00 117.00 127.40 1x5j n LEU 20 Ca 0.15 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1x5j n LEU 20 Cb 0.43 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1x5j n LEU 20 CO 0.60 0.57 0.22 -1.20 -1.33 0.00 0.00 177.39 176.26 1x5j n SER 21 N -3.05 -1.16 -0.31 -1.43 7.64 -1.06 -4.96 113.62 109.29 1x5j n SER 21 Ca -0.22 -2.11 -0.00 0.00 1.01 0.00 0.00 58.87 57.55 1x5j n SER 21 Cb 0.71 2.02 0.17 0.00 -1.01 0.00 0.00 64.21 66.10 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 1.64 1.13 -0.51 1.43 2.07 -1.95 -2.91 115.15 116.04 1x5j h HIS 22 Ca -0.19 0.03 -0.38 0.00 -2.85 0.00 0.00 60.37 56.98 1x5j h HIS 22 Cb 0.77 -0.38 -0.31 0.00 2.57 0.00 0.00 27.41 30.06 1x5j h HIS 22 CO 0.00 0.70 -0.75 -0.40 -3.07 0.00 0.00 177.93 174.41 1x5j n ASP 23 N -4.41 3.80 -3.75 3.10 5.75 -1.26 -4.30 116.55 115.48 1x5j n ASP 23 Ca 0.11 -3.67 -0.15 0.00 -0.01 0.00 0.00 54.79 51.07 1x5j n ASP 23 Cb 0.04 -0.40 -0.16 0.00 -1.03 0.00 0.00 41.12 39.57 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 -4.09 -0.07 -0.19 2.12 2.01 -1.10 -2.70 115.64 111.62 1x5j s THR 24 Ca 0.46 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.61 1x5j s THR 24 Cb 0.39 -0.13 0.07 0.00 0.01 0.00 0.00 72.50 72.84 1x5j s THR 24 CO 0.00 0.10 0.44 -0.63 -0.69 0.00 0.00 174.62 173.83 1x5j s ILE 25 N 1.25 -0.28 -0.16 1.82 1.01 -0.95 -2.35 121.20 121.54 1x5j s ILE 25 Ca -0.07 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.53 1x5j s ILE 25 Cb -0.13 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1x5j s ILE 25 CO -0.04 0.05 0.39 -0.60 0.00 0.00 0.00 174.94 174.74 1x5j s ARG 26 N 1.91 4.26 -0.29 2.79 3.52 -0.71 -1.02 118.95 129.43 1x5j s ARG 26 Ca -0.06 0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.83 1x5j s ARG 26 Cb -0.10 -3.46 0.07 0.00 -1.56 0.00 0.00 34.95 29.90 1x5j s ARG 26 CO -0.13 0.12 -0.06 0.42 -0.81 0.00 0.00 175.30 174.84 1x5j s ILE 27 N 0.79 2.24 0.16 4.11 -1.09 0.38 -0.78 121.20 127.01 1x5j s ILE 27 Ca 0.21 -1.85 0.09 0.00 -2.23 0.00 0.00 60.65 56.87 1x5j s ILE 27 Cb -0.14 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 1x5j s ILE 27 CO 0.07 -0.21 -0.11 0.42 -1.23 0.00 0.00 174.94 173.88 1x5j s THR 28 N 1.05 3.14 0.26 2.92 -4.23 -1.14 -0.28 115.64 117.35 1x5j s THR 28 Ca -0.03 -1.59 -0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1x5j s THR 28 Cb -0.20 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.14 1x5j s THR 28 CO -0.06 -0.05 0.45 -2.67 -0.54 0.00 0.00 174.62 171.75 1x5j n TRP 29 N 0.25 -1.59 -4.18 3.99 2.14 -1.17 -2.48 117.44 114.39 1x5j n TRP 29 Ca -0.12 -1.41 -0.11 0.00 2.07 0.00 0.00 57.50 57.93 1x5j n TRP 29 Cb 0.55 0.52 -0.10 0.00 -0.81 0.00 0.00 31.31 31.47 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 -2.02 1.06 -0.05 -1.67 0.00 0.13 -4.76 121.76 114.45 1x5j s ALA 30 Ca 0.15 -1.62 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 1x5j s ALA 30 Cb -0.02 1.26 0.04 0.00 0.00 0.00 0.00 23.12 24.39 1x5j s ALA 30 CO 0.11 -0.57 0.09 0.34 0.00 0.00 0.00 175.76 175.72 1x5j s ASP 31 N -3.13 0.53 0.14 0.00 2.15 -1.26 -0.67 116.67 114.43 1x5j s ASP 31 Ca 0.35 0.16 0.04 0.00 0.43 0.00 0.00 52.55 53.53 1x5j s ASP 31 Cb 0.07 0.02 -0.13 0.00 -0.30 0.00 0.00 42.92 42.58 1x5j s ASP 31 CO 0.09 -0.20 1.31 -0.55 -0.17 0.00 0.00 175.17 175.65 1x5j h ASN 32 N 7.89 0.14 -0.88 -0.34 7.08 -1.92 -3.28 115.58 124.27 1x5j h ASN 32 Ca -0.27 -0.13 0.20 0.00 -3.08 0.00 0.00 56.30 53.02 1x5j h ASN 32 Cb 1.12 -0.04 -0.12 0.00 -2.08 0.00 0.00 38.32 37.20 1x5j h ASN 32 CO 0.29 1.03 0.39 -1.28 -2.08 0.00 0.00 177.43 175.78 1x5j h SER 33 N 0.04 0.35 -2.92 6.14 0.87 -1.95 -3.42 113.55 112.66 1x5j h SER 33 Ca -0.04 0.14 -0.59 0.00 -1.23 0.00 0.00 61.79 60.08 1x5j h SER 33 Cb 1.69 0.11 0.16 0.00 -0.44 0.00 0.00 62.40 63.92 1x5j h SER 33 CO 0.14 0.04 -0.27 0.18 -0.53 0.00 0.00 176.83 176.39 1x5j n LEU 34 N -5.02 1.17 0.00 2.23 4.77 -1.24 -4.99 117.00 113.93 1x5j n LEU 34 Ca 0.21 0.82 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1x5j n LEU 34 Cb 0.60 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1x5j n LEU 34 CO 0.14 -2.69 0.00 -0.81 -1.33 0.00 0.00 177.39 172.70 1x5j n PRO 35 N -0.00 0.28 -0.67 3.23 -0.04 -1.26 -4.81 135.00 131.73 1x5j n PRO 35 Ca 0.12 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 1x5j n PRO 35 Cb 0.45 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.54 1.34 -3.15 0.54 4.01 -1.26 -4.52 118.16 114.59 1x5j n LYS 36 Ca 0.00 -0.42 0.06 0.00 -0.51 0.00 0.00 58.31 57.44 1x5j n LYS 36 Cb 0.00 -1.45 -0.01 0.00 -0.51 0.00 0.00 35.03 33.05 1x5j n LYS 36 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 1x5j s HIS 37 N 0.60 -0.41 -0.85 2.13 -3.43 -1.26 -5.08 115.29 106.98 1x5j s HIS 37 Ca 0.28 0.37 -0.21 0.00 -0.80 0.00 0.00 55.06 54.71 1x5j s HIS 37 Cb 0.13 0.12 -0.20 0.00 -1.43 0.00 0.00 32.58 31.20 1x5j s HIS 37 CO 0.00 -0.23 2.33 1.04 -2.00 0.00 0.00 174.74 175.88 1x5j n GLN 38 N 5.38 0.38 -3.47 -0.38 1.13 -1.26 -4.81 117.38 114.35 1x5j n GLN 38 Ca -0.03 -0.60 -0.13 0.00 -1.94 0.00 0.00 57.00 54.31 1x5j n GLN 38 Cb 0.55 -2.86 -0.11 0.00 0.11 0.00 0.00 30.24 27.93 1x5j n GLN 38 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1x5j s LYS 39 N 8.33 0.26 -1.31 -1.09 1.02 -1.26 -5.07 119.74 120.61 1x5j s LYS 39 Ca 1.05 0.50 -0.15 0.00 0.02 0.00 0.00 55.97 57.39 1x5j s LYS 39 Cb -0.35 -0.59 0.10 0.00 -0.52 0.00 0.00 37.83 36.47 1x5j s LYS 39 CO 0.23 -0.56 1.79 -0.89 -0.92 0.00 0.00 175.35 175.00 1x5j n ILE 40 N 5.35 3.97 -3.21 2.17 5.41 -1.26 -4.88 119.36 126.91 1x5j n ILE 40 Ca -0.05 -4.06 -0.44 0.00 1.00 0.00 0.00 62.75 59.20 1x5j n ILE 40 Cb 0.50 -2.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.00 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 5.28 4.80 -3.63 1.39 -2.24 -1.26 -4.95 114.28 113.67 1x5j n THR 41 Ca 0.46 -5.53 -0.00 0.00 -2.27 0.00 0.00 64.05 56.71 1x5j n THR 41 Cb 0.42 -2.43 -0.01 0.00 -2.10 0.00 0.00 70.33 66.22 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 0.40 -0.10 -0.25 3.42 2.15 -1.26 -5.02 116.67 116.01 1x5j s ASP 42 Ca 0.31 -0.14 -0.02 0.00 0.43 0.00 0.00 52.55 53.13 1x5j s ASP 42 Cb -0.05 0.21 0.05 0.00 -0.30 0.00 0.00 42.92 42.83 1x5j s ASP 42 CO -0.02 -0.38 2.49 -0.24 -0.17 0.00 0.00 175.17 176.86 1x5j n SER 43 N -0.41 6.08 -4.70 -0.34 2.88 -1.26 -4.89 113.62 110.97 1x5j n SER 43 Ca -0.07 -2.89 -0.35 0.00 -1.33 0.00 0.00 58.87 54.23 1x5j n SER 43 Cb 0.62 -1.18 -0.09 0.00 -0.75 0.00 0.00 64.21 62.81 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 -1.01 3.74 0.06 -1.46 1.70 -1.26 -4.81 118.95 115.92 1x5j s ARG 44 Ca 0.39 -0.30 0.08 0.00 -0.47 0.00 0.00 55.73 55.43 1x5j s ARG 44 Cb 0.25 -3.16 -0.03 0.00 -0.57 0.00 0.00 34.95 31.43 1x5j s ARG 44 CO -0.06 0.44 -0.19 1.52 -1.08 0.00 0.00 175.30 175.93 1x5j s TYR 45 N -0.10 2.52 -0.13 5.89 1.13 -1.24 -4.82 117.35 120.59 1x5j s TYR 45 Ca 0.07 -0.28 -0.07 0.00 -1.41 0.00 0.00 57.07 55.39 1x5j s TYR 45 Cb -0.12 -1.42 -0.04 0.00 -1.10 0.00 0.00 41.96 39.28 1x5j s TYR 45 CO 0.01 0.28 0.11 0.71 -2.51 0.00 0.00 175.55 174.15 1x5j s TYR 46 N -0.97 3.48 -0.26 -3.49 2.02 -1.23 -3.02 117.35 113.87 1x5j s TYR 46 Ca 0.15 0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 57.24 1x5j s TYR 46 Cb -0.10 -1.96 0.03 0.00 -0.40 0.00 0.00 41.96 39.52 1x5j s TYR 46 CO 0.06 0.58 -0.04 0.99 -1.57 0.00 0.00 175.55 175.57 1x5j s THR 47 N -0.68 2.95 -0.32 -0.71 2.01 -0.36 -2.99 115.64 115.55 1x5j s THR 47 Ca 0.13 -1.11 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 1x5j s THR 47 Cb -0.12 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1x5j s THR 47 CO 0.02 0.11 0.13 -0.69 -0.69 0.00 0.00 174.62 173.50 1x5j s VAL 48 N 1.31 4.23 0.10 3.82 1.01 -1.12 -2.25 120.40 127.49 1x5j s VAL 48 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1x5j s VAL 48 Cb -0.17 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1x5j s VAL 48 CO -0.03 -0.02 0.21 0.00 0.00 0.00 0.00 175.10 175.26 1x5j s ARG 49 N 1.53 3.34 -0.10 2.72 1.70 -1.10 -1.04 118.95 126.00 1x5j s ARG 49 Ca 0.02 -0.55 -0.07 0.00 -0.47 0.00 0.00 55.73 54.67 1x5j s ARG 49 Cb -0.18 -2.95 0.04 0.00 -0.57 0.00 0.00 34.95 31.28 1x5j s ARG 49 CO 0.04 0.57 0.25 1.67 -1.08 0.00 0.00 175.30 176.76 1x5j s TRP 50 N -1.58 -0.32 0.04 5.89 -2.14 -1.24 -1.73 118.94 117.86 1x5j s TRP 50 Ca 0.34 0.76 -0.05 0.00 2.66 0.00 0.00 56.10 59.81 1x5j s TRP 50 Cb -0.12 0.07 -0.01 0.00 -3.10 0.00 0.00 33.47 30.31 1x5j s TRP 50 CO 0.27 -0.20 0.08 -1.59 -2.66 0.00 0.00 176.95 172.85 1x5j s LYS 51 N 0.83 0.61 -0.06 3.25 0.00 -1.19 -3.20 119.74 119.98 1x5j s LYS 51 Ca -0.06 -0.84 -0.25 0.00 0.00 0.00 0.00 55.97 54.82 1x5j s LYS 51 Cb -0.07 0.23 -0.03 0.00 0.00 0.00 0.00 37.83 37.96 1x5j s LYS 51 CO -0.05 -0.15 0.76 0.95 0.00 0.00 0.00 175.35 176.86 1x5j s THR 52 N -2.91 5.01 0.35 3.79 -4.23 -1.26 0.27 115.64 116.65 1x5j s THR 52 Ca -0.02 1.57 0.07 0.00 -1.18 0.00 0.00 61.69 62.12 1x5j s THR 52 Cb 0.01 -4.10 0.31 0.00 1.34 0.00 0.00 72.50 70.06 1x5j s THR 52 CO -0.06 0.22 1.91 -1.13 -0.54 0.00 0.00 174.62 175.02 1x5j h ASN 53 N 6.80 0.69 -3.37 3.99 -0.73 -1.86 -3.40 115.58 117.70 1x5j h ASN 53 Ca -0.40 0.02 -0.65 0.00 1.87 0.00 0.00 56.30 57.14 1x5j h ASN 53 Cb 1.20 -0.12 -0.33 0.00 0.27 0.00 0.00 38.32 39.33 1x5j h ASN 53 CO 0.76 0.40 -0.87 -0.63 -0.37 0.00 0.00 177.43 176.72 1x5j s ILE 54 N -5.71 1.91 0.98 2.57 1.09 -1.26 -3.23 121.20 117.54 1x5j s ILE 54 Ca -0.10 -0.93 -0.16 0.00 -1.10 0.00 0.00 60.65 58.35 1x5j s ILE 54 Cb 0.21 -1.66 0.24 0.00 -1.06 0.00 0.00 42.46 40.19 1x5j s ILE 54 CO 0.78 0.53 0.87 -0.81 -0.10 0.00 0.00 174.94 176.21 1x5j n PRO 55 N 3.55 -2.71 0.14 2.79 -0.04 -1.26 -4.96 135.00 132.52 1x5j n PRO 55 Ca -0.20 -1.39 -0.06 0.00 -0.04 0.00 0.00 63.50 61.82 1x5j n PRO 55 Cb 0.53 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.59 -0.74 -0.96 0.55 0.00 -1.84 -3.38 119.26 110.30 1x5j h ALA 56 Ca -0.33 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 53.96 1x5j h ALA 56 Cb 1.00 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1x5j h ALA 56 CO 0.21 -0.71 1.45 -0.80 0.00 0.00 0.00 179.25 179.41 1x5j s ASN 57 N -3.33 6.22 -0.02 0.00 -0.87 -1.26 -4.94 114.94 110.74 1x5j s ASN 57 Ca -0.06 -1.49 0.05 0.00 -1.57 0.00 0.00 52.86 49.80 1x5j s ASN 57 Cb 0.01 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.25 38.65 1x5j s ASN 57 CO 0.17 -1.77 -0.17 -0.89 -2.57 0.00 0.00 177.10 171.87 1x5j s THR 58 N 6.14 1.35 1.02 1.60 2.01 -1.26 -5.13 115.64 121.37 1x5j s THR 58 Ca 0.53 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.60 1x5j s THR 58 Cb -0.01 -1.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1x5j s THR 58 CO -0.04 0.38 -0.64 2.29 -0.69 0.00 0.00 174.62 175.92 1x5j n LYS 59 N 2.71 -0.90 -4.66 4.92 0.00 -1.26 -4.90 118.16 114.07 1x5j n LYS 59 Ca -0.15 -0.26 -0.29 0.00 -0.00 0.00 0.00 58.31 57.61 1x5j n LYS 59 Cb 0.54 -1.33 -0.09 0.00 -0.00 0.00 0.00 35.03 34.15 1x5j n LYS 59 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1x5j s TYR 60 N -2.10 2.09 0.28 5.58 1.51 -1.26 -4.70 117.35 118.76 1x5j s TYR 60 Ca 0.42 -0.89 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1x5j s TYR 60 Cb -0.00 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1x5j s TYR 60 CO 0.58 0.23 0.18 0.15 -1.11 0.00 0.00 175.55 175.59 1x5j s LYS 61 N -3.80 1.52 -0.27 -0.62 -0.14 -1.20 -4.97 119.74 110.26 1x5j s LYS 61 Ca 0.21 -1.86 -0.22 0.00 -1.36 0.00 0.00 55.97 52.74 1x5j s LYS 61 Cb 0.05 0.13 0.07 0.00 -1.68 0.00 0.00 37.83 36.41 1x5j s LYS 61 CO 0.11 -0.49 0.71 0.54 -0.76 0.00 0.00 175.35 175.46 1x5j s ASN 62 N -3.31 -0.81 -0.12 2.83 2.20 -1.26 -3.64 114.94 110.83 1x5j s ASN 62 Ca 0.38 1.47 0.03 0.00 -0.94 0.00 0.00 52.86 53.80 1x5j s ASN 62 Cb 0.05 1.44 0.01 0.00 -2.00 0.00 0.00 41.25 40.75 1x5j s ASN 62 CO 0.19 -0.25 -0.20 0.00 -2.94 0.00 0.00 177.10 173.90 1x5j s ALA 63 N 0.76 2.05 -0.40 3.54 0.00 -0.21 -4.93 121.76 122.57 1x5j s ALA 63 Ca -0.03 -0.94 -0.23 0.00 0.00 0.00 0.00 51.96 50.76 1x5j s ALA 63 Cb -0.05 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1x5j s ALA 63 CO -0.05 0.04 0.78 0.54 0.00 0.00 0.00 175.76 177.07 1x5j s ASN 64 N 0.73 6.48 -0.30 0.00 4.22 -1.26 -2.80 114.94 122.02 1x5j s ASN 64 Ca -0.10 0.14 -0.06 0.00 -2.14 0.00 0.00 52.86 50.70 1x5j s ASN 64 Cb -0.16 -2.39 0.16 0.00 1.28 0.00 0.00 41.25 40.14 1x5j s ASN 64 CO 0.01 -0.80 0.64 0.00 -2.04 0.00 0.00 177.10 174.90 1x5j s ALA 65 N 3.16 -2.19 -0.77 3.54 0.00 -1.16 -5.05 121.76 119.30 1x5j s ALA 65 Ca 0.30 2.09 -0.23 0.00 0.00 0.00 0.00 51.96 54.12 1x5j s ALA 65 Cb -0.13 -1.99 0.07 0.00 0.00 0.00 0.00 23.12 21.08 1x5j s ALA 65 CO 0.19 -1.13 1.11 0.95 0.00 0.00 0.00 175.76 176.88 1x5j s THR 66 N 2.87 4.25 -0.00 0.00 -4.23 -1.26 -3.48 115.64 113.79 1x5j s THR 66 Ca 0.07 -0.52 -0.30 0.00 -1.18 0.00 0.00 61.69 59.77 1x5j s THR 66 Cb -0.13 -4.79 0.11 0.00 1.34 0.00 0.00 72.50 69.03 1x5j s THR 66 CO -0.20 -1.59 1.27 0.28 -0.54 0.00 0.00 174.62 173.84 1x5j s THR 67 N 4.19 0.00 -0.41 3.99 -1.32 -1.26 -4.98 115.64 115.85 1x5j s THR 67 Ca 0.29 -0.24 0.09 0.00 -1.21 0.00 0.00 61.69 60.62 1x5j s THR 67 Cb -0.11 -2.20 0.60 0.00 -1.51 0.00 0.00 72.50 69.29 1x5j s THR 67 CO 0.05 0.00 1.51 0.18 -2.21 0.00 0.00 174.62 174.14 1x5j n LEU 68 N -0.57 4.88 -3.64 9.08 4.77 -1.26 -4.85 117.00 125.41 1x5j n LEU 68 Ca -0.06 -2.51 -0.05 0.00 -0.03 0.00 0.00 56.01 53.36 1x5j n LEU 68 Cb 0.62 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1x5j n LEU 68 CO 0.13 0.62 0.65 -0.94 -1.33 0.00 0.00 177.39 176.51 1x5j s SER 69 N -0.62 -0.55 -0.01 -1.43 1.04 -1.26 -3.06 113.70 107.80 1x5j s SER 69 Ca 0.42 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1x5j s SER 69 Cb 0.33 1.14 0.01 0.00 0.10 0.00 0.00 66.02 67.60 1x5j s SER 69 CO 0.11 -0.15 -0.00 -0.47 0.98 0.00 0.00 173.24 173.71 1x5j s TYR 70 N 1.04 0.21 -0.21 5.02 5.04 0.61 -5.01 117.35 124.05 1x5j s TYR 70 Ca -0.05 0.00 -0.05 0.00 -2.44 0.00 0.00 57.07 54.53 1x5j s TYR 70 Cb -0.04 -0.25 -0.02 0.00 0.35 0.00 0.00 41.96 42.00 1x5j s TYR 70 CO -0.13 -0.06 -0.01 -1.17 -1.34 0.00 0.00 175.55 172.84 1x5j s LEU 71 N 0.53 3.14 0.06 6.97 2.96 -1.26 -0.47 118.68 130.60 1x5j s LEU 71 Ca -0.05 -0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 53.43 1x5j s LEU 71 Cb -0.08 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 1x5j s LEU 71 CO -0.01 0.03 0.50 -0.69 -1.32 0.00 0.00 176.35 174.86 1x5j s VAL 72 N 1.22 4.88 -0.01 1.68 1.01 -0.19 -4.98 120.40 124.00 1x5j s VAL 72 Ca 0.03 0.99 -0.03 0.00 0.00 0.00 0.00 61.98 62.97 1x5j s VAL 72 Cb -0.15 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1x5j s VAL 72 CO 0.01 0.51 0.07 0.42 0.00 0.00 0.00 175.10 176.10 1x5j s THR 73 N -1.17 0.04 0.00 3.92 -4.23 -1.26 -2.24 115.64 110.70 1x5j s THR 73 Ca 0.29 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1x5j s THR 73 Cb -0.18 -0.21 0.00 0.00 1.34 0.00 0.00 72.50 73.46 1x5j s THR 73 CO 0.17 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1x5j n GLY 74 N 2.42 0.53 3.71 3.99 0.00 -1.10 -5.04 105.19 109.70 1x5j n GLY 74 Ca -0.17 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.38 3.11 0.07 0.99 1.43 -1.26 -5.09 118.68 117.55 1x5j s LEU 75 Ca 0.00 -0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 51.91 1x5j s LEU 75 Cb 0.00 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.68 1x5j s LEU 75 CO 0.00 -0.41 0.57 -0.75 0.23 0.00 0.00 176.35 175.99 1x5j s LYS 76 N -3.84 4.21 0.74 1.70 2.20 -1.26 -4.46 119.74 119.03 1x5j s LYS 76 Ca 0.39 0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 56.62 1x5j s LYS 76 Cb 0.02 -3.24 0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1x5j s LYS 76 CO 0.22 0.63 1.10 -1.25 -0.36 0.00 0.00 175.35 175.69 1x5j s PRO 77 N -1.09 2.42 -1.42 4.03 0.04 -1.26 -3.80 135.00 133.92 1x5j s PRO 77 Ca 0.29 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 1x5j s PRO 77 Cb -0.20 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1x5j s PRO 77 CO 0.19 -1.53 0.28 0.27 0.04 0.00 0.00 177.00 176.25 1x5j n ASN 78 N -3.20 -0.89 -3.66 6.66 6.94 -1.23 -4.87 115.26 115.01 1x5j n ASN 78 Ca 0.09 -1.25 -0.11 0.00 -0.02 0.00 0.00 54.58 53.29 1x5j n ASN 78 Cb 0.53 -1.84 -0.12 0.00 -2.36 0.00 0.00 39.78 35.99 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1x5j s THR 79 N -4.06 -0.49 0.23 5.53 2.01 -1.25 -5.03 115.64 112.58 1x5j s THR 79 Ca 0.16 0.23 -0.32 0.00 0.31 0.00 0.00 61.69 62.07 1x5j s THR 79 Cb -0.09 -0.53 -0.13 0.00 0.01 0.00 0.00 72.50 71.76 1x5j s THR 79 CO 0.97 0.10 1.56 -0.11 -0.69 0.00 0.00 174.62 176.45 1x5j n LEU 80 N 5.32 3.57 -4.01 4.42 0.00 -1.26 -4.08 117.00 120.96 1x5j n LEU 80 Ca -0.08 1.11 -0.17 0.00 0.00 0.00 0.00 56.01 56.88 1x5j n LEU 80 Cb 0.50 -1.50 -0.14 0.00 0.00 0.00 0.00 43.42 42.28 1x5j n LEU 80 CO 0.02 -0.15 -0.42 -0.31 0.00 0.00 0.00 177.39 176.53 1x5j s TYR 81 N 0.45 0.68 0.16 1.96 2.02 -0.89 -2.64 117.35 119.10 1x5j s TYR 81 Ca 0.71 -0.20 0.04 0.00 -0.37 0.00 0.00 57.07 57.26 1x5j s TYR 81 Cb -0.59 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 1x5j s TYR 81 CO 0.43 -0.02 0.17 -2.00 -1.57 0.00 0.00 175.55 172.57 1x5j s GLU 82 N -0.47 3.03 -0.13 -0.62 -6.30 0.14 -1.43 118.70 112.92 1x5j s GLU 82 Ca 0.01 -0.81 -0.05 0.00 -2.50 0.00 0.00 54.97 51.62 1x5j s GLU 82 Cb -0.04 -2.72 0.07 0.00 0.00 0.00 0.00 34.13 31.43 1x5j s GLU 82 CO -0.00 0.49 0.28 -0.06 0.02 0.00 0.00 175.26 175.99 1x5j s PHE 83 N -1.76 -0.45 0.20 5.30 0.08 -0.30 -3.14 117.98 117.92 1x5j s PHE 83 Ca 0.32 1.01 0.06 0.00 0.12 0.00 0.00 56.93 58.44 1x5j s PHE 83 Cb -0.10 -0.00 -0.05 0.00 -0.57 0.00 0.00 43.02 42.30 1x5j s PHE 83 CO 0.25 -0.36 -0.09 -1.12 -0.10 0.00 0.00 175.22 173.80 1x5j s SER 84 N 2.35 2.21 -0.01 1.36 0.01 -0.71 -1.78 113.70 117.14 1x5j s SER 84 Ca 0.00 -1.08 0.02 0.00 1.31 0.00 0.00 55.95 56.19 1x5j s SER 84 Cb -0.12 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1x5j s SER 84 CO -0.09 -0.32 -0.06 -0.69 0.41 0.00 0.00 173.24 172.50 1x5j s VAL 85 N -3.18 0.49 0.04 3.43 1.01 -1.26 -2.70 120.40 118.23 1x5j s VAL 85 Ca 0.23 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1x5j s VAL 85 Cb 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1x5j s VAL 85 CO 0.06 0.15 0.11 0.00 0.00 0.00 0.00 175.10 175.43 1x5j s MET 86 N 0.07 0.60 0.03 2.72 0.23 -0.96 -3.15 119.30 118.83 1x5j s MET 86 Ca -0.00 -0.71 0.08 0.00 -1.03 0.00 0.00 55.69 54.03 1x5j s MET 86 Cb -0.05 0.24 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 1x5j s MET 86 CO -0.00 -0.15 -0.22 0.54 -2.03 0.00 0.00 175.02 173.15 1x5j s VAL 87 N -2.51 2.44 -0.01 5.16 0.11 -1.26 -1.22 120.40 123.10 1x5j s VAL 87 Ca -0.06 -1.24 0.03 0.00 -2.93 0.00 0.00 61.98 57.78 1x5j s VAL 87 Cb -0.02 -1.97 -0.01 0.00 -1.53 0.00 0.00 36.38 32.86 1x5j s VAL 87 CO -0.04 0.39 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.14 1x5j s THR 88 N -0.83 0.75 -0.03 5.04 2.01 -1.17 -2.23 115.64 119.18 1x5j s THR 88 Ca 0.13 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 1x5j s THR 88 Cb -0.10 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 71.81 1x5j s THR 88 CO 0.03 0.21 0.04 -0.54 -0.69 0.00 0.00 174.62 173.67 1x5j s LYS 89 N -0.20 0.01 3.47 4.92 1.02 -0.60 -3.66 119.74 124.70 1x5j s LYS 89 Ca 0.03 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.28 1x5j s LYS 89 Cb -0.04 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 1x5j s LYS 89 CO -0.00 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1x5j n GLY 90 N 4.72 0.77 0.67 -3.33 0.00 -1.26 -0.32 105.19 106.44 1x5j n GLY 90 Ca -0.16 0.62 0.06 0.00 0.00 0.00 0.00 46.02 46.54 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 1.43 -4.34 1.61 0.63 -1.26 -5.04 116.66 109.68 1x5j n ARG 91 Ca 0.00 -3.16 -0.19 0.00 -0.92 0.00 0.00 57.85 53.58 1x5j n ARG 91 Cb 0.00 -1.46 -0.09 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 -2.92 1.61 0.09 -0.14 1.81 0.57 -5.17 118.95 114.80 1x5j s ARG 92 Ca 0.37 -1.92 -0.23 0.00 -1.72 0.00 0.00 55.73 52.23 1x5j s ARG 92 Cb 0.37 -0.09 0.08 0.00 -0.45 0.00 0.00 34.95 34.85 1x5j s ARG 92 CO -0.08 -0.46 1.08 0.45 -0.68 0.00 0.00 175.30 175.62 1x5j n SER 93 N -0.97 -1.43 -4.40 0.23 2.88 -1.26 -1.56 113.62 107.11 1x5j n SER 93 Ca 0.01 -1.59 -0.21 0.00 -1.33 0.00 0.00 58.87 55.75 1x5j n SER 93 Cb 0.65 2.29 -0.10 0.00 -0.75 0.00 0.00 64.21 66.29 1x5j n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5j s SER 94 N -3.48 2.83 1.31 -3.46 1.04 -0.95 -4.06 113.70 106.93 1x5j s SER 94 Ca 0.25 -1.10 -0.20 0.00 0.48 0.00 0.00 55.95 55.38 1x5j s SER 94 Cb -0.02 -0.18 0.33 0.00 0.10 0.00 0.00 66.02 66.25 1x5j s SER 94 CO 0.03 -0.21 1.01 0.28 0.98 0.00 0.00 173.24 175.32 1x5j s THR 95 N -2.91 1.45 -0.53 2.02 -1.32 -1.26 -4.63 115.64 108.47 1x5j s THR 95 Ca 0.27 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.49 1x5j s THR 95 Cb 0.01 -2.23 0.04 0.00 -1.51 0.00 0.00 72.50 68.81 1x5j s THR 95 CO 0.10 0.00 0.98 0.26 -2.21 0.00 0.00 174.62 173.75 1x5j s TRP 96 N -2.57 2.80 1.04 9.09 0.52 -1.26 -4.73 118.94 123.84 1x5j s TRP 96 Ca 0.69 0.18 -0.21 0.00 0.02 0.00 0.00 56.10 56.78 1x5j s TRP 96 Cb -0.14 -4.12 -0.05 0.00 -1.15 0.00 0.00 33.47 28.01 1x5j s TRP 96 CO 0.58 -1.31 -0.66 -1.13 0.02 0.00 0.00 176.95 174.44 1x5j n SER 97 N 7.53 -3.10 -4.53 2.95 3.41 -1.19 -4.59 113.62 114.09 1x5j n SER 97 Ca 0.04 0.02 -0.65 0.00 -0.26 0.00 0.00 58.87 58.02 1x5j n SER 97 Cb 0.48 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 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 0.36 0.00 -1.87 4.33 0.00 -1.26 -4.72 117.12 113.95 1x5j n MET 98 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1x5j n MET 98 Cb 0.66 -1.43 -0.03 0.00 0.00 0.00 0.00 33.22 32.41 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 2.89 3.16 -0.37 3.17 2.01 -1.26 -4.84 115.64 120.41 1x5j s THR 99 Ca 1.00 0.40 -0.17 0.00 0.31 0.00 0.00 61.69 63.24 1x5j s THR 99 Cb -1.43 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 67.82 1x5j s THR 99 CO 0.78 -0.02 0.42 0.00 -0.69 0.00 0.00 174.62 175.12 1x5j s ALA 100 N 3.57 3.46 -0.12 7.40 0.00 -0.73 -4.96 121.76 130.39 1x5j s ALA 100 Ca 0.78 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 1x5j s ALA 100 Cb -0.39 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1x5j s ALA 100 CO 0.34 -1.30 0.32 -1.01 0.00 0.00 0.00 175.76 174.12 1x5j s HIS 101 N 2.15 3.54 -0.13 0.00 3.76 -1.26 -1.15 115.29 122.20 1x5j s HIS 101 Ca 0.13 0.70 -0.07 0.00 -0.15 0.00 0.00 55.06 55.68 1x5j s HIS 101 Cb -0.16 -2.32 0.05 0.00 1.11 0.00 0.00 32.58 31.26 1x5j s HIS 101 CO 0.13 0.36 0.31 0.20 -0.85 0.00 0.00 174.74 174.89 1x5j s GLY 102 N 0.02 -0.21 -0.25 -2.22 0.00 -0.52 -4.90 107.32 99.25 1x5j s GLY 102 Ca 0.19 1.19 -0.08 0.00 0.00 0.00 0.00 44.72 46.02 1x5j s GLY 102 CO 0.07 1.51 0.10 -1.59 0.00 0.00 0.00 173.10 173.19 1x5j s THR 103 N 1.47 4.63 0.89 0.90 2.01 -1.26 -2.10 115.64 122.17 1x5j s THR 103 Ca -0.08 -0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 1x5j s THR 103 Cb -0.10 -3.16 0.12 0.00 0.01 0.00 0.00 72.50 69.37 1x5j s THR 103 CO -0.10 0.34 1.10 0.42 -0.69 0.00 0.00 174.62 175.68 1x5j s THR 104 N 1.46 2.69 0.35 -0.82 -4.23 -1.26 -4.98 115.64 108.85 1x5j s THR 104 Ca 0.06 0.22 -0.25 0.00 -1.18 0.00 0.00 61.69 60.54 1x5j s THR 104 Cb -0.15 -2.57 -0.10 0.00 1.34 0.00 0.00 72.50 71.02 1x5j s THR 104 CO 0.05 -0.29 0.99 -0.36 -0.54 0.00 0.00 174.62 174.47 1x5j s PHE 105 N -2.82 3.51 0.19 3.99 0.08 -1.26 -3.74 117.98 117.93 1x5j s PHE 105 Ca 0.64 1.72 -0.32 0.00 0.12 0.00 0.00 56.93 59.09 1x5j s PHE 105 Cb -0.19 -3.00 -0.11 0.00 -0.57 0.00 0.00 43.02 39.14 1x5j s PHE 105 CO 0.58 -0.13 1.69 -1.83 -0.10 0.00 0.00 175.22 175.42 1x5j s GLU 106 N -2.26 4.15 -0.34 0.44 -1.05 -1.26 -3.55 118.70 114.82 1x5j s GLU 106 Ca 0.53 2.54 -0.33 0.00 -0.15 0.00 0.00 54.97 57.57 1x5j s GLU 106 Cb -0.20 -3.13 -0.10 0.00 -0.44 0.00 0.00 34.13 30.27 1x5j s GLU 106 CO 0.25 -0.72 2.23 -0.11 0.95 0.00 0.00 175.26 177.86 1x5j n LEU 107 N 4.09 2.39 -3.72 1.83 -0.00 -1.26 -4.91 117.00 115.42 1x5j n LEU 107 Ca 0.15 0.29 -0.14 0.00 -0.00 0.00 0.00 56.01 56.32 1x5j n LEU 107 Cb 0.36 -1.35 -0.14 0.00 -0.00 0.00 0.00 43.42 42.29 1x5j n LEU 107 CO 0.63 -0.77 -0.19 -0.55 -0.00 0.00 0.00 177.39 176.51 1x5j s SER 108 N 7.93 0.06 0.00 1.96 0.15 -1.26 -5.08 113.70 117.46 1x5j s SER 108 Ca 1.07 0.41 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1x5j s SER 108 Cb -0.69 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1x5j s SER 108 CO 0.44 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1x5j n GLY 109 N 4.57 -1.43 0.26 9.45 0.00 -1.26 -4.85 105.19 111.93 1x5j n GLY 109 Ca -0.20 0.82 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 1x5j n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5j h PRO 110 N 0.00 0.90 -3.05 1.61 0.13 -1.98 -3.41 132.00 126.21 1x5j h PRO 110 Ca 0.00 -0.47 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 1x5j h PRO 110 Cb 0.00 0.01 -0.37 0.00 0.13 0.00 0.00 31.00 30.78 1x5j h PRO 110 CO 0.00 1.12 -0.66 0.45 -0.23 0.00 0.00 178.00 178.68 1x5j s SER 111 N -6.78 1.02 -1.77 1.44 0.15 -1.26 -4.88 113.70 101.62 1x5j s SER 111 Ca -0.11 0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.51 1x5j s SER 111 Cb 0.11 0.19 0.18 0.00 -1.71 0.00 0.00 66.02 64.78 1x5j s SER 111 CO 0.87 -0.26 0.57 -1.20 1.20 0.00 0.00 173.24 174.42 1x5j n SER 112 N 5.32 -1.82 0.00 5.45 7.64 -1.26 -5.27 113.62 123.67 1x5j n SER 112 Ca -0.05 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.66 1x5j n SER 112 Cb 0.50 -1.99 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 1x5j n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64