#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 6.28 -0.15 1.61 0.01 -1.26 -4.89 113.70 115.30 1x5j s SER 2 Ca 0.00 -0.61 -0.11 0.00 1.31 0.00 0.00 55.95 56.54 1x5j s SER 2 Cb 0.00 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1x5j s SER 2 CO 0.00 -1.17 -0.09 -1.28 0.41 0.00 0.00 173.24 171.11 1x5j h SER 3 N 9.27 0.00 0.00 2.44 0.87 -2.12 -3.51 113.55 120.50 1x5j h SER 3 Ca -0.27 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1x5j h SER 3 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1x5j h SER 3 CO 1.07 0.85 0.00 0.61 -0.53 0.00 0.00 176.83 178.83 1x5j n GLY 4 N 1.60 3.42 3.35 5.77 0.00 -1.26 -5.17 105.19 112.90 1x5j n GLY 4 Ca -0.10 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.57 1x5j n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5j s SER 5 N 0.00 -0.60 0.07 1.61 0.15 -1.26 -5.13 113.70 108.53 1x5j s SER 5 Ca 0.00 0.72 -0.30 0.00 0.70 0.00 0.00 55.95 57.06 1x5j s SER 5 Cb 0.00 1.64 -0.09 0.00 -1.71 0.00 0.00 66.02 65.86 1x5j s SER 5 CO 0.00 -0.11 1.86 -0.55 1.20 0.00 0.00 173.24 175.64 1x5j s SER 6 N 2.56 6.47 0.00 5.45 0.15 -1.26 -4.62 113.70 122.44 1x5j s SER 6 Ca -0.01 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.30 1x5j s SER 6 Cb -0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1x5j s SER 6 CO -0.17 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 173.87 1x5j n GLY 7 N 4.34 -2.13 2.33 9.45 0.00 -1.26 -5.16 105.19 112.76 1x5j n GLY 7 Ca 0.18 0.66 -0.20 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.89 -2.45 -3.19 1.61 -0.04 -1.26 -5.04 135.00 123.74 1x5j n PRO 8 Ca 0.00 -1.16 -0.29 0.00 -0.04 0.00 0.00 63.50 62.01 1x5j n PRO 8 Cb 0.00 -1.09 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 1x5j n PRO 8 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1x5j s MET 9 N -4.65 3.66 -0.11 0.54 -1.94 -1.21 -5.02 119.30 110.56 1x5j s MET 9 Ca 0.47 0.12 -0.30 0.00 -1.71 0.00 0.00 55.69 54.28 1x5j s MET 9 Cb -0.05 -2.57 -0.02 0.00 2.01 0.00 0.00 34.83 34.21 1x5j s MET 9 CO 0.36 0.13 1.10 -1.64 -0.01 0.00 0.00 175.02 174.96 1x5j s MET 10 N -3.70 4.36 0.81 2.03 -1.94 -1.26 -4.28 119.30 115.32 1x5j s MET 10 Ca 0.46 1.50 -0.11 0.00 -1.71 0.00 0.00 55.69 55.83 1x5j s MET 10 Cb -0.11 -3.58 0.08 0.00 2.01 0.00 0.00 34.83 33.23 1x5j s MET 10 CO 0.31 -0.44 1.09 -1.25 -0.01 0.00 0.00 175.02 174.72 1x5j s PRO 11 N 2.40 1.97 -0.11 2.03 0.04 -1.26 -4.70 135.00 135.36 1x5j s PRO 11 Ca 0.51 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1x5j s PRO 11 Cb -0.20 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1x5j s PRO 11 CO 0.17 -1.82 1.53 -1.25 0.04 0.00 0.00 177.00 175.68 1x5j s PRO 12 N -4.91 4.14 0.32 0.56 0.04 -1.26 -4.77 135.00 129.13 1x5j s PRO 12 Ca 0.62 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.67 1x5j s PRO 12 Cb -0.17 -3.93 0.05 0.00 0.04 0.00 0.00 34.50 30.49 1x5j s PRO 12 CO 0.56 -0.87 0.44 1.33 0.04 0.00 0.00 177.00 178.51 1x5j n VAL 13 N 5.58 0.00 -0.86 -0.36 0.24 -0.92 -4.51 118.33 117.50 1x5j n VAL 13 Ca 0.16 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 1x5j n VAL 13 Cb 0.44 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 1x5j n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5j n GLY 14 N 1.07 0.18 3.46 7.63 0.00 -1.26 -0.63 105.19 115.65 1x5j n GLY 14 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.16 0.03 -4.51 1.61 0.31 -1.26 -4.59 118.33 107.76 1x5j n VAL 15 Ca 0.00 -0.25 -0.31 0.00 -0.01 0.00 0.00 64.34 63.77 1x5j n VAL 15 Cb 0.23 -1.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.72 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 7.63 2.28 -0.34 5.55 -0.21 -0.76 -4.75 119.66 129.06 1x5j s GLN 16 Ca 1.18 -0.88 0.03 0.00 0.02 0.00 0.00 55.36 55.71 1x5j s GLN 16 Cb -0.94 -2.33 0.10 0.00 1.00 0.00 0.00 33.01 30.83 1x5j s GLN 16 CO 0.46 0.56 0.05 0.00 -2.12 0.00 0.00 175.29 174.24 1x5j s ALA 17 N -1.00 2.90 -0.19 6.09 0.00 -1.26 -3.10 121.76 125.20 1x5j s ALA 17 Ca 0.17 -2.46 -0.16 0.00 0.00 0.00 0.00 51.96 49.51 1x5j s ALA 17 Cb -0.11 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1x5j s ALA 17 CO 0.07 -1.65 0.40 0.45 0.00 0.00 0.00 175.76 175.03 1x5j s SER 18 N 1.02 6.46 -0.18 0.00 0.15 -0.55 -4.86 113.70 115.74 1x5j s SER 18 Ca 0.09 0.54 -0.21 0.00 0.70 0.00 0.00 55.95 57.07 1x5j s SER 18 Cb -0.19 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1x5j s SER 18 CO -0.07 -0.06 0.64 -0.63 1.20 0.00 0.00 173.24 174.32 1x5j s ILE 19 N 1.19 5.02 -0.09 6.45 -1.09 -1.26 -0.79 121.20 130.63 1x5j s ILE 19 Ca 0.19 1.23 -0.02 0.00 -2.23 0.00 0.00 60.65 59.82 1x5j s ILE 19 Cb -0.15 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1x5j s ILE 19 CO 0.08 0.13 -0.10 0.18 -1.23 0.00 0.00 174.94 174.00 1x5j n LEU 20 N 4.83 1.59 -4.15 2.97 7.99 -0.91 -5.00 117.00 124.31 1x5j n LEU 20 Ca -0.01 0.05 -0.15 0.00 -0.01 0.00 0.00 56.01 55.88 1x5j n LEU 20 Cb 0.50 -0.28 -0.06 0.00 -0.11 0.00 0.00 43.42 43.47 1x5j n LEU 20 CO 0.45 0.37 0.01 -0.55 -1.51 0.00 0.00 177.39 176.16 1x5j s SER 21 N -5.42 0.94 0.54 -1.43 0.15 -0.92 -4.96 113.70 102.59 1x5j s SER 21 Ca -0.12 -1.50 0.20 0.00 0.70 0.00 0.00 55.95 55.23 1x5j s SER 21 Cb 0.04 0.58 1.42 0.00 -1.71 0.00 0.00 66.02 66.35 1x5j s SER 21 CO 0.18 -1.15 2.17 1.12 1.20 0.00 0.00 173.24 176.76 1x5j h HIS 22 N 2.21 0.00 0.00 3.44 2.07 -1.91 -2.63 115.15 118.33 1x5j h HIS 22 Ca -0.28 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.17 1x5j h HIS 22 Cb 1.24 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.06 1x5j h HIS 22 CO 1.29 0.02 -0.71 -0.40 -3.07 0.00 0.00 177.93 175.05 1x5j n ASP 23 N -4.29 1.42 -3.75 3.10 5.75 -1.26 -4.11 116.55 113.40 1x5j n ASP 23 Ca -0.03 -3.13 -0.20 0.00 -0.01 0.00 0.00 54.79 51.42 1x5j n ASP 23 Cb 0.10 -0.44 -0.17 0.00 -1.03 0.00 0.00 41.12 39.59 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 -1.92 0.15 -0.05 2.12 2.01 -0.99 -2.26 115.64 114.70 1x5j s THR 24 Ca 0.36 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.55 1x5j s THR 24 Cb 0.38 -0.32 0.03 0.00 0.01 0.00 0.00 72.50 72.60 1x5j s THR 24 CO -0.11 0.20 0.11 -0.63 -0.69 0.00 0.00 174.62 173.50 1x5j s ILE 25 N 1.73 -0.04 -0.22 1.82 1.01 -0.80 -2.14 121.20 122.56 1x5j s ILE 25 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.65 1x5j s ILE 25 Cb -0.13 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 1x5j s ILE 25 CO -0.03 0.06 0.39 -0.60 0.00 0.00 0.00 174.94 174.75 1x5j s ARG 26 N 0.91 4.14 -0.31 2.79 3.52 0.03 -2.29 118.95 127.73 1x5j s ARG 26 Ca -0.07 0.16 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 1x5j s ARG 26 Cb -0.09 -3.56 0.08 0.00 -1.56 0.00 0.00 34.95 29.82 1x5j s ARG 26 CO -0.04 -0.08 -0.01 0.42 -0.81 0.00 0.00 175.30 174.78 1x5j s ILE 27 N 1.44 2.37 -0.00 4.11 -1.09 -0.05 -1.48 121.20 126.51 1x5j s ILE 27 Ca 0.18 -1.95 0.08 0.00 -2.23 0.00 0.00 60.65 56.73 1x5j s ILE 27 Cb -0.15 -2.57 -0.02 0.00 -1.58 0.00 0.00 42.46 38.15 1x5j s ILE 27 CO 0.08 -0.33 -0.24 0.42 -1.23 0.00 0.00 174.94 173.64 1x5j s THR 28 N 1.03 1.90 0.31 2.92 -4.23 -1.18 0.13 115.64 116.52 1x5j s THR 28 Ca 0.01 -1.10 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 1x5j s THR 28 Cb -0.20 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 1x5j s THR 28 CO -0.06 0.47 0.17 -2.67 -0.54 0.00 0.00 174.62 172.00 1x5j n TRP 29 N 2.31 -0.25 -4.25 3.99 2.14 -1.19 -1.83 117.44 118.36 1x5j n TRP 29 Ca -0.16 -2.23 -0.19 0.00 2.07 0.00 0.00 57.50 56.99 1x5j n TRP 29 Cb 0.52 0.11 -0.16 0.00 -0.81 0.00 0.00 31.31 30.97 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 -3.01 0.69 -0.26 -1.67 0.00 0.20 -4.80 121.76 112.92 1x5j s ALA 30 Ca 0.24 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 1x5j s ALA 30 Cb 0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1x5j s ALA 30 CO 0.17 0.08 0.26 0.34 0.00 0.00 0.00 175.76 176.61 1x5j s ASP 31 N 0.41 6.16 -0.12 0.00 -1.08 -1.26 -2.16 116.67 118.62 1x5j s ASP 31 Ca -0.06 0.17 -0.04 0.00 -0.52 0.00 0.00 52.55 52.11 1x5j s ASP 31 Cb -0.10 -2.16 -0.25 0.00 -1.46 0.00 0.00 42.92 38.95 1x5j s ASP 31 CO 0.00 -0.07 0.38 0.59 0.52 0.00 0.00 175.17 176.59 1x5j n ASN 32 N 4.88 1.96 -0.26 -0.34 3.02 -1.26 -4.31 115.26 118.95 1x5j n ASN 32 Ca -0.12 0.22 -0.02 0.00 -0.03 0.00 0.00 54.58 54.63 1x5j n ASN 32 Cb 0.51 -0.74 0.04 0.00 -0.61 0.00 0.00 39.78 38.99 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 0.06 -1.05 -2.57 6.41 0.87 -1.93 -3.41 113.55 111.93 1x5j h SER 33 Ca -0.41 0.24 -0.58 0.00 -1.23 0.00 0.00 61.79 59.80 1x5j h SER 33 Cb 2.03 0.57 0.18 0.00 -0.44 0.00 0.00 62.40 64.74 1x5j h SER 33 CO 0.08 -0.29 -0.76 0.18 -0.53 0.00 0.00 176.83 175.51 1x5j n LEU 34 N -5.47 -1.28 0.00 2.23 4.77 -1.26 -4.96 117.00 111.03 1x5j n LEU 34 Ca 0.07 0.66 -0.23 0.00 -0.03 0.00 0.00 56.01 56.49 1x5j n LEU 34 Cb 0.38 -1.03 0.19 0.00 -2.33 0.00 0.00 43.42 40.63 1x5j n LEU 34 CO -0.03 -3.88 0.46 -0.81 -1.33 0.00 0.00 177.39 171.80 1x5j n PRO 35 N 0.59 -2.65 -0.39 3.23 -0.04 -1.26 -4.90 135.00 129.59 1x5j n PRO 35 Ca 0.09 -1.33 -0.04 0.00 -0.04 0.00 0.00 63.50 62.18 1x5j n PRO 35 Cb 0.48 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.69 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 -4.05 -0.30 -2.54 0.54 3.00 -1.26 -4.03 118.16 109.52 1x5j n LYS 36 Ca 0.12 1.49 -0.43 0.00 -0.00 0.00 0.00 58.31 59.49 1x5j n LYS 36 Cb 0.45 -2.21 -0.02 0.00 0.00 0.00 0.00 35.03 33.25 1x5j n LYS 36 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 1x5j s HIS 37 N -5.78 3.06 -0.66 5.64 -3.43 -1.26 -4.97 115.29 107.89 1x5j s HIS 37 Ca -0.13 1.19 -0.27 0.00 -0.80 0.00 0.00 55.06 55.06 1x5j s HIS 37 Cb 0.17 -3.49 0.01 0.00 -1.43 0.00 0.00 32.58 27.84 1x5j s HIS 37 CO 0.67 -1.10 1.49 -0.65 -2.00 0.00 0.00 174.74 173.14 1x5j s GLN 38 N 3.49 3.04 -0.18 -0.38 -1.52 -1.26 -4.94 119.66 117.90 1x5j s GLN 38 Ca 0.49 0.16 -0.11 0.00 -1.95 0.00 0.00 55.36 53.95 1x5j s GLN 38 Cb -0.17 -4.23 0.06 0.00 -0.22 0.00 0.00 33.01 28.44 1x5j s GLN 38 CO 0.12 -2.29 0.45 0.15 -0.25 0.00 0.00 175.29 173.48 1x5j s LYS 39 N 6.10 0.45 -0.43 2.91 1.02 -1.26 -5.13 119.74 123.40 1x5j s LYS 39 Ca 0.48 0.82 -0.21 0.00 0.02 0.00 0.00 55.97 57.08 1x5j s LYS 39 Cb -0.10 0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.27 1x5j s LYS 39 CO 0.19 -0.14 0.65 0.42 -0.92 0.00 0.00 175.35 175.55 1x5j s ILE 40 N 1.24 4.82 -0.04 2.17 1.01 -1.26 -4.93 121.20 124.20 1x5j s ILE 40 Ca -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1x5j s ILE 40 Cb -0.07 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1x5j s ILE 40 CO -0.11 -0.57 2.21 0.35 0.00 0.00 0.00 174.94 176.81 1x5j n THR 41 N 5.84 2.23 -3.01 2.92 -2.24 -1.26 -4.75 114.28 114.01 1x5j n THR 41 Ca -0.01 -0.79 -0.16 0.00 -2.27 0.00 0.00 64.05 60.81 1x5j n THR 41 Cb 0.48 -1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.14 1x5j n THR 41 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x5j n ASP 42 N 1.48 -1.14 -0.05 3.42 2.03 -1.26 -4.71 116.55 116.31 1x5j n ASP 42 Ca 0.09 -0.25 -0.15 0.00 0.52 0.00 0.00 54.79 55.00 1x5j n ASP 42 Cb 0.56 -1.05 -0.14 0.00 -0.72 0.00 0.00 41.12 39.77 1x5j n ASP 42 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x5j n SER 43 N -1.54 1.38 -4.28 1.67 7.64 -1.26 -5.00 113.62 112.22 1x5j n SER 43 Ca 0.05 0.14 -0.25 0.00 1.01 0.00 0.00 58.87 59.82 1x5j n SER 43 Cb 0.39 -0.21 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.55 1.88 0.22 1.43 1.04 -1.26 -4.91 118.95 114.80 1x5j s ARG 44 Ca -0.18 -2.12 -0.00 0.00 -1.04 0.00 0.00 55.73 52.38 1x5j s ARG 44 Cb 0.07 -0.78 -0.04 0.00 -2.04 0.00 0.00 34.95 32.16 1x5j s ARG 44 CO 0.76 -0.38 0.11 1.52 -0.04 0.00 0.00 175.30 177.26 1x5j s TYR 45 N -3.20 1.28 -0.08 5.89 1.13 -1.24 -4.94 117.35 116.19 1x5j s TYR 45 Ca 0.26 -1.29 0.05 0.00 -1.41 0.00 0.00 57.07 54.68 1x5j s TYR 45 Cb 0.04 -0.69 -0.01 0.00 -1.10 0.00 0.00 41.96 40.21 1x5j s TYR 45 CO 0.14 -0.51 -0.24 0.71 -2.51 0.00 0.00 175.55 173.14 1x5j s TYR 46 N -3.99 2.46 -0.27 -3.49 2.02 -1.23 -3.09 117.35 109.76 1x5j s TYR 46 Ca 0.37 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1x5j s TYR 46 Cb 0.07 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 40.05 1x5j s TYR 46 CO 0.12 -0.30 -0.06 0.99 -1.57 0.00 0.00 175.55 174.72 1x5j s THR 47 N 0.07 2.61 0.02 -0.71 2.01 0.37 -2.60 115.64 117.41 1x5j s THR 47 Ca -0.10 -1.41 -0.11 0.00 0.31 0.00 0.00 61.69 60.37 1x5j s THR 47 Cb -0.16 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 1x5j s THR 47 CO 0.06 -0.01 0.37 -0.69 -0.69 0.00 0.00 174.62 173.66 1x5j s VAL 48 N 1.20 5.12 0.07 3.82 1.01 -1.25 -2.23 120.40 128.15 1x5j s VAL 48 Ca -0.06 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.56 1x5j s VAL 48 Cb -0.19 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1x5j s VAL 48 CO -0.04 0.44 -0.21 0.00 0.00 0.00 0.00 175.10 175.30 1x5j s ARG 49 N -1.48 1.25 -0.16 2.72 1.70 -0.68 -1.41 118.95 120.89 1x5j s ARG 49 Ca 0.27 -1.04 -0.14 0.00 -0.47 0.00 0.00 55.73 54.35 1x5j s ARG 49 Cb -0.15 -1.44 0.04 0.00 -0.57 0.00 0.00 34.95 32.84 1x5j s ARG 49 CO 0.15 0.35 0.42 1.67 -1.08 0.00 0.00 175.30 176.80 1x5j s TRP 50 N -0.97 -0.48 0.34 5.89 -2.14 -1.19 -2.49 118.94 117.90 1x5j s TRP 50 Ca 0.07 1.14 0.02 0.00 2.66 0.00 0.00 56.10 59.99 1x5j s TRP 50 Cb -0.09 0.17 -0.01 0.00 -3.10 0.00 0.00 33.47 30.44 1x5j s TRP 50 CO 0.03 -0.24 0.41 0.36 -2.66 0.00 0.00 176.95 174.84 1x5j n LYS 51 N 3.08 0.58 -3.94 3.25 2.85 -1.24 -3.46 118.16 119.29 1x5j n LYS 51 Ca -0.15 -3.01 -0.35 0.00 -1.05 0.00 0.00 58.31 53.75 1x5j n LYS 51 Cb 0.57 2.71 -0.09 0.00 -0.65 0.00 0.00 35.03 37.57 1x5j n LYS 51 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1x5j s THR 52 N -3.03 5.00 0.56 0.58 -4.23 -1.26 -2.53 115.64 110.72 1x5j s THR 52 Ca 0.33 0.04 0.23 0.00 -1.18 0.00 0.00 61.69 61.11 1x5j s THR 52 Cb 0.00 -3.25 0.31 0.00 1.34 0.00 0.00 72.50 70.91 1x5j s THR 52 CO 0.24 0.48 2.20 -1.13 -0.54 0.00 0.00 174.62 175.86 1x5j h ASN 53 N 6.46 0.00 -3.32 3.99 -1.24 -1.86 -3.40 115.58 116.21 1x5j h ASN 53 Ca -0.40 0.00 -0.66 0.00 0.71 0.00 0.00 56.30 55.95 1x5j h ASN 53 Cb 1.17 0.00 -0.28 0.00 0.73 0.00 0.00 38.32 39.94 1x5j h ASN 53 CO 0.70 0.00 -0.76 -0.63 -1.29 0.00 0.00 177.43 175.45 1x5j s ILE 54 N -4.86 3.06 1.18 2.57 -1.09 -1.26 -2.27 121.20 118.53 1x5j s ILE 54 Ca -0.05 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 57.55 1x5j s ILE 54 Cb 0.16 -2.32 0.28 0.00 -1.58 0.00 0.00 42.46 38.99 1x5j s ILE 54 CO 0.61 0.49 1.11 -2.16 -1.23 0.00 0.00 174.94 173.76 1x5j s PRO 55 N 0.82 -1.04 0.12 2.79 0.04 -1.26 -5.00 135.00 131.48 1x5j s PRO 55 Ca -0.04 -0.01 -0.23 0.00 0.04 0.00 0.00 61.00 60.77 1x5j s PRO 55 Cb -0.15 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 1x5j s PRO 55 CO 0.01 -3.60 1.27 0.00 0.04 0.00 0.00 177.00 174.71 1x5j n ALA 56 N -4.69 -0.47 -3.05 8.56 0.00 -0.96 -4.24 120.51 115.65 1x5j n ALA 56 Ca 0.12 0.63 -0.33 0.00 0.00 0.00 0.00 53.44 53.86 1x5j n ALA 56 Cb 0.59 -0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.85 1x5j n ALA 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x5j s ASN 57 N -5.07 3.76 0.08 0.00 2.47 -1.26 -4.79 114.94 110.13 1x5j s ASN 57 Ca -0.09 -0.38 -0.07 0.00 0.42 0.00 0.00 52.86 52.74 1x5j s ASN 57 Cb 0.08 -1.48 -0.01 0.00 -1.45 0.00 0.00 41.25 38.39 1x5j s ASN 57 CO 0.46 0.18 0.14 0.28 -3.72 0.00 0.00 177.10 174.43 1x5j s THR 58 N 0.25 0.16 0.34 -5.21 -1.32 -1.26 -5.05 115.64 103.55 1x5j s THR 58 Ca -0.11 -1.35 -0.24 0.00 -1.21 0.00 0.00 61.69 58.78 1x5j s THR 58 Cb -0.16 -1.40 -0.15 0.00 -1.51 0.00 0.00 72.50 69.28 1x5j s THR 58 CO 0.06 -0.73 0.43 1.17 -2.21 0.00 0.00 174.62 173.34 1x5j n LYS 59 N -0.02 0.29 -4.08 7.08 4.81 -1.26 -4.91 118.16 120.07 1x5j n LYS 59 Ca -0.15 0.11 -0.32 0.00 -0.87 0.00 0.00 58.31 57.08 1x5j n LYS 59 Cb 0.62 -1.23 -0.07 0.00 0.02 0.00 0.00 35.03 34.37 1x5j n LYS 59 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1x5j s TYR 60 N -1.37 3.27 0.24 5.64 2.02 -1.26 -4.74 117.35 121.16 1x5j s TYR 60 Ca 0.62 0.18 0.10 0.00 -0.37 0.00 0.00 57.07 57.59 1x5j s TYR 60 Cb -0.71 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 1x5j s TYR 60 CO 0.59 0.54 -0.05 0.15 -1.57 0.00 0.00 175.55 175.21 1x5j s LYS 61 N -1.93 2.16 0.00 -0.62 1.02 -1.22 -5.02 119.74 114.13 1x5j s LYS 61 Ca 0.25 -1.41 -0.06 0.00 0.02 0.00 0.00 55.97 54.77 1x5j s LYS 61 Cb -0.12 -2.12 -0.00 0.00 -0.52 0.00 0.00 37.83 35.07 1x5j s LYS 61 CO 0.17 0.38 0.10 0.54 -0.92 0.00 0.00 175.35 175.62 1x5j s ASN 62 N -3.40 0.06 0.43 2.83 2.20 -1.26 -3.17 114.94 112.63 1x5j s ASN 62 Ca 0.29 -0.25 0.03 0.00 -0.94 0.00 0.00 52.86 52.00 1x5j s ASN 62 Cb -0.07 0.19 -0.02 0.00 -2.00 0.00 0.00 41.25 39.34 1x5j s ASN 62 CO 0.18 -0.34 0.11 0.00 -2.94 0.00 0.00 177.10 174.10 1x5j s ALA 63 N -1.35 3.15 -0.23 3.54 0.00 -0.50 -4.98 121.76 121.39 1x5j s ALA 63 Ca -0.14 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 1x5j s ALA 63 Cb -0.08 0.61 0.08 0.00 0.00 0.00 0.00 23.12 23.73 1x5j s ALA 63 CO 0.01 -0.28 0.07 -0.80 0.00 0.00 0.00 175.76 174.77 1x5j s ASN 64 N -3.66 3.20 -0.17 0.00 -0.87 -1.26 -3.90 114.94 108.27 1x5j s ASN 64 Ca 0.20 -1.06 -0.04 0.00 -1.57 0.00 0.00 52.86 50.40 1x5j s ASN 64 Cb 0.02 -0.56 0.08 0.00 -0.02 0.00 0.00 41.25 40.78 1x5j s ASN 64 CO 0.12 -0.36 0.26 0.00 -2.57 0.00 0.00 177.10 174.55 1x5j s ALA 65 N 1.89 -0.51 -0.77 0.60 0.00 -1.07 -5.06 121.76 116.84 1x5j s ALA 65 Ca 0.04 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.43 1x5j s ALA 65 Cb -0.17 -1.21 0.07 0.00 0.00 0.00 0.00 23.12 21.81 1x5j s ALA 65 CO -0.17 -0.93 1.14 0.95 0.00 0.00 0.00 175.76 176.75 1x5j s THR 66 N 2.40 4.18 0.02 0.00 -4.23 -1.26 -3.52 115.64 113.23 1x5j s THR 66 Ca 0.05 -0.42 -0.27 0.00 -1.18 0.00 0.00 61.69 59.86 1x5j s THR 66 Cb -0.14 -4.81 0.09 0.00 1.34 0.00 0.00 72.50 68.98 1x5j s THR 66 CO -0.11 -1.64 1.25 0.28 -0.54 0.00 0.00 174.62 173.86 1x5j s THR 67 N 4.39 0.00 -0.53 3.99 -1.32 -1.26 -5.00 115.64 115.90 1x5j s THR 67 Ca 0.30 -0.24 0.16 0.00 -1.21 0.00 0.00 61.69 60.70 1x5j s THR 67 Cb -0.10 -2.89 0.76 0.00 -1.51 0.00 0.00 72.50 68.75 1x5j s THR 67 CO 0.05 0.00 1.68 0.18 -2.21 0.00 0.00 174.62 174.32 1x5j n LEU 68 N -0.85 5.23 -3.43 9.08 4.77 -1.26 -4.83 117.00 125.71 1x5j n LEU 68 Ca 0.02 -2.77 -0.12 0.00 -0.03 0.00 0.00 56.01 53.11 1x5j n LEU 68 Cb 0.59 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1x5j n LEU 68 CO 0.16 0.70 0.44 -0.55 -1.33 0.00 0.00 177.39 176.80 1x5j s SER 69 N -0.94 -0.55 -0.03 -1.43 0.15 -1.26 -3.17 113.70 106.47 1x5j s SER 69 Ca 0.52 0.02 -0.16 0.00 0.70 0.00 0.00 55.95 57.04 1x5j s SER 69 Cb 0.38 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 65.29 1x5j s SER 69 CO 0.18 -0.92 0.34 -0.47 1.20 0.00 0.00 173.24 173.57 1x5j s TYR 70 N -3.60 -0.24 -0.24 3.44 6.14 0.12 -5.00 117.35 117.97 1x5j s TYR 70 Ca 0.01 0.41 0.01 0.00 0.64 0.00 0.00 57.07 58.14 1x5j s TYR 70 Cb -0.01 0.12 0.06 0.00 0.42 0.00 0.00 41.96 42.55 1x5j s TYR 70 CO -0.12 -0.38 -0.07 -1.17 0.64 0.00 0.00 175.55 174.45 1x5j s LEU 71 N -1.13 2.86 -0.05 6.97 1.98 -1.26 -0.87 118.68 127.17 1x5j s LEU 71 Ca -0.12 -1.24 -0.12 0.00 -2.89 0.00 0.00 54.13 49.76 1x5j s LEU 71 Cb -0.05 -1.31 -0.05 0.00 0.66 0.00 0.00 46.19 45.45 1x5j s LEU 71 CO 0.04 -0.22 0.30 -0.69 -1.89 0.00 0.00 176.35 173.90 1x5j s VAL 72 N 1.30 5.22 0.18 1.68 1.01 -0.97 -5.00 120.40 123.82 1x5j s VAL 72 Ca -0.07 0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 1x5j s VAL 72 Cb -0.19 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1x5j s VAL 72 CO -0.06 0.59 0.24 0.42 0.00 0.00 0.00 175.10 176.29 1x5j s THR 73 N -0.99 0.04 -0.08 3.92 -4.23 -1.26 -1.91 115.64 111.13 1x5j s THR 73 Ca 0.20 -1.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1x5j s THR 73 Cb -0.15 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.57 1x5j s THR 73 CO 0.10 -0.19 0.07 0.61 -0.54 0.00 0.00 174.62 174.67 1x5j n GLY 74 N -0.24 0.86 3.91 3.99 0.00 -0.96 -5.00 105.19 107.75 1x5j n GLY 74 Ca -0.03 -0.62 -0.20 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 -1.39 3.45 0.19 0.99 1.43 -1.26 -5.07 118.68 117.01 1x5j s LEU 75 Ca 0.03 -0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 52.18 1x5j s LEU 75 Cb -0.01 -2.19 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 1x5j s LEU 75 CO 0.04 -0.69 0.88 -0.75 0.23 0.00 0.00 176.35 176.06 1x5j s LYS 76 N -4.19 4.73 0.67 1.70 2.20 -1.26 -4.49 119.74 119.09 1x5j s LYS 76 Ca 0.50 1.35 -0.15 0.00 -0.36 0.00 0.00 55.97 57.32 1x5j s LYS 76 Cb -0.05 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1x5j s LYS 76 CO 0.29 0.49 1.11 -1.25 -0.36 0.00 0.00 175.35 175.63 1x5j s PRO 77 N -0.99 2.77 -1.59 4.03 0.04 -1.26 -3.38 135.00 134.63 1x5j s PRO 77 Ca 0.40 1.38 -0.20 0.00 0.04 0.00 0.00 61.00 62.62 1x5j s PRO 77 Cb -0.24 -1.95 0.20 0.00 0.04 0.00 0.00 34.50 32.55 1x5j s PRO 77 CO 0.29 -1.27 0.51 0.27 0.04 0.00 0.00 177.00 176.84 1x5j n ASN 78 N -2.48 -1.76 -4.04 6.66 6.94 -0.94 -4.89 115.26 114.75 1x5j n ASN 78 Ca 0.10 -0.96 -0.24 0.00 -0.02 0.00 0.00 54.58 53.46 1x5j n ASN 78 Cb 0.52 -1.55 -0.16 0.00 -2.36 0.00 0.00 39.78 36.23 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 -3.05 1.15 0.16 5.53 2.01 -1.22 -4.92 115.64 115.29 1x5j s THR 79 Ca 0.70 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 1x5j s THR 79 Cb -0.41 -1.03 -0.07 0.00 0.01 0.00 0.00 72.50 70.99 1x5j s THR 79 CO 0.86 0.35 1.11 -0.22 -0.69 0.00 0.00 174.62 176.03 1x5j s LEU 80 N 0.53 4.47 0.17 4.42 2.96 -1.26 -3.63 118.68 126.33 1x5j s LEU 80 Ca -0.12 2.07 0.05 0.00 -0.22 0.00 0.00 54.13 55.91 1x5j s LEU 80 Cb -0.14 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1x5j s LEU 80 CO 0.03 -0.25 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.41 1x5j s TYR 81 N -0.06 1.38 -0.02 5.38 1.51 -1.24 -3.46 117.35 120.85 1x5j s TYR 81 Ca 0.50 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 1x5j s TYR 81 Cb -0.29 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1x5j s TYR 81 CO 0.34 0.11 0.03 -1.21 -1.11 0.00 0.00 175.55 173.71 1x5j s GLU 82 N -3.75 2.94 -0.02 -0.62 8.01 -1.05 -3.46 118.70 120.74 1x5j s GLU 82 Ca 0.19 -0.52 0.01 0.00 0.01 0.00 0.00 54.97 54.66 1x5j s GLU 82 Cb 0.03 -2.77 0.01 0.00 -4.31 0.00 0.00 34.13 27.08 1x5j s GLU 82 CO 0.03 0.65 -0.03 -0.06 0.01 0.00 0.00 175.26 175.86 1x5j s PHE 83 N -1.09 0.43 0.00 1.61 0.08 -0.87 -3.59 117.98 114.55 1x5j s PHE 83 Ca 0.20 -0.07 -0.19 0.00 0.12 0.00 0.00 56.93 56.98 1x5j s PHE 83 Cb -0.12 -0.37 0.04 0.00 -0.57 0.00 0.00 43.02 42.00 1x5j s PHE 83 CO 0.10 -0.08 0.42 -1.12 -0.10 0.00 0.00 175.22 174.44 1x5j s SER 84 N 0.42 -0.31 -0.02 1.36 0.01 -1.04 -0.70 113.70 113.42 1x5j s SER 84 Ca -0.04 0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.42 1x5j s SER 84 Cb -0.08 0.40 -0.00 0.00 0.21 0.00 0.00 66.02 66.55 1x5j s SER 84 CO -0.01 -0.56 -0.11 -0.69 0.41 0.00 0.00 173.24 172.29 1x5j s VAL 85 N -1.73 0.88 0.06 3.43 1.01 -1.26 -1.68 120.40 121.10 1x5j s VAL 85 Ca -0.10 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 1x5j s VAL 85 Cb -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1x5j s VAL 85 CO 0.03 0.26 -0.04 0.00 0.00 0.00 0.00 175.10 175.35 1x5j s MET 86 N -0.05 0.66 0.06 2.72 0.23 -0.95 -3.36 119.30 118.61 1x5j s MET 86 Ca 0.01 -1.24 0.06 0.00 -1.03 0.00 0.00 55.69 53.49 1x5j s MET 86 Cb -0.07 0.11 -0.03 0.00 -1.53 0.00 0.00 34.83 33.32 1x5j s MET 86 CO 0.00 -0.09 -0.17 0.54 -2.03 0.00 0.00 175.02 173.27 1x5j s VAL 87 N -3.81 1.36 -0.03 5.16 0.11 -1.26 -0.48 120.40 121.45 1x5j s VAL 87 Ca 0.08 -1.19 0.01 0.00 -2.93 0.00 0.00 61.98 57.95 1x5j s VAL 87 Cb 0.07 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1x5j s VAL 87 CO -0.09 0.01 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.75 1x5j s THR 88 N -0.95 0.54 -0.47 5.04 2.01 -1.18 -2.55 115.64 118.08 1x5j s THR 88 Ca 0.03 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1x5j s THR 88 Cb -0.09 -0.53 0.44 0.00 0.01 0.00 0.00 72.50 72.33 1x5j s THR 88 CO 0.02 0.20 1.43 1.17 -0.69 0.00 0.00 174.62 176.76 1x5j n LYS 89 N 3.65 3.29 0.00 4.92 4.81 -0.08 -3.70 118.16 131.05 1x5j n LYS 89 Ca -0.22 -4.01 0.00 0.00 -0.87 0.00 0.00 58.31 53.22 1x5j n LYS 89 Cb 0.53 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1x5j n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5j n GLY 90 N -0.68 1.33 0.05 3.14 0.00 -1.26 -4.18 105.19 103.60 1x5j n GLY 90 Ca 0.48 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.83 -3.75 1.61 1.74 -1.26 -4.97 116.66 110.86 1x5j n ARG 91 Ca 0.00 -0.09 -0.28 0.00 -0.77 0.00 0.00 57.85 56.72 1x5j n ARG 91 Cb 0.00 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 1x5j n ARG 91 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1x5j s ARG 92 N -2.86 3.51 0.28 5.56 1.70 -1.26 -5.11 118.95 120.78 1x5j s ARG 92 Ca -0.08 -0.37 -0.21 0.00 -0.47 0.00 0.00 55.73 54.60 1x5j s ARG 92 Cb 0.09 -2.87 0.03 0.00 -0.57 0.00 0.00 34.95 31.62 1x5j s ARG 92 CO 0.78 0.43 0.74 0.45 -1.08 0.00 0.00 175.30 176.62 1x5j s SER 93 N -3.11 -0.23 0.07 -2.89 0.15 -1.26 -0.91 113.70 105.53 1x5j s SER 93 Ca 0.38 -0.65 0.09 0.00 0.70 0.00 0.00 55.95 56.47 1x5j s SER 93 Cb -0.11 0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1x5j s SER 93 CO 0.29 -1.36 -0.25 -0.94 1.20 0.00 0.00 173.24 172.17 1x5j s SER 94 N -2.94 3.08 1.25 5.45 1.04 -1.06 -3.31 113.70 117.21 1x5j s SER 94 Ca 0.12 -0.63 -0.18 0.00 0.48 0.00 0.00 55.95 55.74 1x5j s SER 94 Cb -0.06 -0.25 0.27 0.00 0.10 0.00 0.00 66.02 66.08 1x5j s SER 94 CO 0.07 0.21 0.64 1.07 0.98 0.00 0.00 173.24 176.22 1x5j n THR 95 N 1.52 0.00 -2.49 2.02 5.66 -1.26 -4.48 114.28 115.24 1x5j n THR 95 Ca -0.17 -0.21 -0.43 0.00 -3.05 0.00 0.00 64.05 60.19 1x5j n THR 95 Cb 0.52 -0.82 -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 -2.20 2.85 1.19 1.09 0.52 -1.26 -4.72 118.94 116.40 1x5j s TRP 96 Ca 0.60 0.98 -0.18 0.00 0.02 0.00 0.00 56.10 57.52 1x5j s TRP 96 Cb -0.15 -3.82 0.22 0.00 -1.15 0.00 0.00 33.47 28.58 1x5j s TRP 96 CO 0.57 -1.40 0.47 -1.13 0.02 0.00 0.00 176.95 175.47 1x5j n SER 97 N 7.31 -2.88 -4.67 2.95 3.41 -1.21 -4.76 113.62 113.77 1x5j n SER 97 Ca 0.14 -0.39 -0.54 0.00 -0.26 0.00 0.00 58.87 57.82 1x5j n SER 97 Cb 0.47 -0.96 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 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 -3.38 1.31 -2.06 4.33 0.00 -1.26 -4.76 117.12 111.30 1x5j n MET 98 Ca 0.05 0.48 -0.43 0.00 0.00 0.00 0.00 57.70 57.80 1x5j n MET 98 Cb 0.53 -2.17 -0.03 0.00 0.00 0.00 0.00 33.22 31.55 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 2.48 3.65 -0.24 3.17 2.01 -1.26 -4.81 115.64 120.65 1x5j s THR 99 Ca 0.92 0.76 -0.22 0.00 0.31 0.00 0.00 61.69 63.47 1x5j s THR 99 Cb -0.97 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1x5j s THR 99 CO 0.57 -0.17 0.70 0.00 -0.69 0.00 0.00 174.62 175.03 1x5j s ALA 100 N 4.69 3.61 -0.25 7.40 0.00 0.12 -4.87 121.76 132.46 1x5j s ALA 100 Ca 0.72 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1x5j s ALA 100 Cb -0.29 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1x5j s ALA 100 CO 0.29 -0.79 0.22 -1.01 0.00 0.00 0.00 175.76 174.46 1x5j s HIS 101 N 2.49 3.28 -0.10 0.00 3.76 -1.26 -2.04 115.29 121.42 1x5j s HIS 101 Ca 0.30 0.26 -0.02 0.00 -0.15 0.00 0.00 55.06 55.45 1x5j s HIS 101 Cb -0.16 -2.37 0.04 0.00 1.11 0.00 0.00 32.58 31.20 1x5j s HIS 101 CO 0.09 -0.05 0.01 0.20 -0.85 0.00 0.00 174.74 174.14 1x5j s GLY 102 N 1.34 0.54 -0.25 -2.22 0.00 -1.23 -4.91 107.32 100.60 1x5j s GLY 102 Ca 0.10 -0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.36 1x5j s GLY 102 CO 0.08 1.20 0.51 -1.59 0.00 0.00 0.00 173.10 173.29 1x5j s THR 103 N 1.94 5.08 0.73 0.90 2.01 -1.26 -3.59 115.64 121.45 1x5j s THR 103 Ca 0.04 0.88 -0.12 0.00 0.31 0.00 0.00 61.69 62.80 1x5j s THR 103 Cb -0.13 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.58 1x5j s THR 103 CO -0.06 0.11 1.09 0.42 -0.69 0.00 0.00 174.62 175.48 1x5j s THR 104 N 2.16 3.48 0.71 -0.82 -4.23 -1.24 -4.94 115.64 110.76 1x5j s THR 104 Ca 0.21 0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 61.14 1x5j s THR 104 Cb -0.16 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.63 1x5j s THR 104 CO 0.09 -0.59 1.07 -0.36 -0.54 0.00 0.00 174.62 174.29 1x5j s PHE 105 N -2.82 3.14 0.28 3.99 0.08 -1.26 -2.50 117.98 118.88 1x5j s PHE 105 Ca 0.62 1.29 -0.29 0.00 0.12 0.00 0.00 56.93 58.66 1x5j s PHE 105 Cb -0.17 -2.94 -0.10 0.00 -0.57 0.00 0.00 43.02 39.24 1x5j s PHE 105 CO 0.52 -1.29 1.32 -1.83 -0.10 0.00 0.00 175.22 173.85 1x5j s GLU 106 N -5.13 4.36 -0.03 0.44 -1.05 -1.26 -2.21 118.70 113.82 1x5j s GLU 106 Ca 0.58 2.17 -0.20 0.00 -0.15 0.00 0.00 54.97 57.37 1x5j s GLU 106 Cb -0.13 -3.12 -0.14 0.00 -0.44 0.00 0.00 34.13 30.30 1x5j s GLU 106 CO 0.54 -0.23 0.89 1.25 0.95 0.00 0.00 175.26 178.66 1x5j h LEU 107 N 4.24 -0.32 -8.35 1.83 6.46 -1.94 -3.41 115.31 113.82 1x5j h LEU 107 Ca -0.47 -0.20 -0.58 0.00 -0.12 0.00 0.00 57.88 56.51 1x5j h LEU 107 Cb 1.22 0.08 -0.11 0.00 -0.73 0.00 0.00 40.66 41.13 1x5j h LEU 107 CO 0.71 0.15 0.83 -0.55 -0.62 0.00 0.00 178.44 178.97 1x5j s SER 108 N -5.20 6.20 0.45 1.25 0.15 -1.26 -5.02 113.70 110.28 1x5j s SER 108 Ca -0.12 -0.58 -0.17 0.00 0.70 0.00 0.00 55.95 55.78 1x5j s SER 108 Cb 0.01 -2.50 -0.09 0.00 -1.71 0.00 0.00 66.02 61.73 1x5j s SER 108 CO 0.42 -1.62 0.93 -0.83 1.20 0.00 0.00 173.24 173.34 1x5j s GLY 109 N 3.57 2.20 0.00 9.45 0.00 -1.26 -4.95 107.32 116.33 1x5j s GLY 109 Ca 0.31 0.21 0.14 0.00 0.00 0.00 0.00 44.72 45.38 1x5j s GLY 109 CO 0.15 0.47 1.44 -1.55 0.00 0.00 0.00 173.10 173.61 1x5j n PRO 110 N -1.08 0.07 -3.56 2.90 -0.04 -1.26 -4.87 135.00 127.15 1x5j n PRO 110 Ca 0.06 0.22 -0.23 0.00 -0.04 0.00 0.00 63.50 63.51 1x5j n PRO 110 Cb 0.54 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 1x5j n PRO 110 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5j n SER 111 N -1.43 -5.74 -4.85 3.54 7.64 -1.26 -4.99 113.62 106.53 1x5j n SER 111 Ca 0.05 -0.54 -0.27 0.00 1.01 0.00 0.00 58.87 59.11 1x5j n SER 111 Cb 0.15 -4.99 0.09 0.00 -1.01 0.00 0.00 64.21 58.45 1x5j n SER 111 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5j s SER 112 N -3.46 4.54 0.00 6.43 1.04 -1.26 -5.35 113.70 115.64 1x5j s SER 112 Ca 0.50 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1x5j s SER 112 Cb -0.22 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.82 1x5j s SER 112 CO 0.72 -1.82 0.00 0.61 0.98 0.00 0.00 173.24 173.73