#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 3.25 0.36 1.61 0.15 -1.26 -5.15 113.70 112.66 1x5j s SER 2 Ca 0.00 -0.86 0.08 0.00 0.70 0.00 0.00 55.95 55.87 1x5j s SER 2 Cb 0.00 -0.23 -0.06 0.00 -1.71 0.00 0.00 66.02 64.02 1x5j s SER 2 CO 0.00 0.09 0.04 -0.44 1.20 0.00 0.00 173.24 174.13 1x5j s SER 3 N -2.65 4.18 -0.75 5.45 0.01 -1.26 -5.05 113.70 113.64 1x5j s SER 3 Ca 0.19 -1.05 -0.02 0.00 1.31 0.00 0.00 55.95 56.39 1x5j s SER 3 Cb -0.08 -0.51 0.41 0.00 0.21 0.00 0.00 66.02 66.05 1x5j s SER 3 CO 0.09 -0.31 2.03 0.61 0.41 0.00 0.00 173.24 176.07 1x5j n GLY 4 N -1.00 5.72 3.51 3.44 0.00 -1.26 -5.02 105.19 110.59 1x5j n GLY 4 Ca -0.04 -2.39 -0.35 0.00 0.00 0.00 0.00 46.02 43.24 1x5j n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5j n SER 5 N -0.75 -0.70 -0.04 1.61 2.88 -1.26 -4.98 113.62 110.38 1x5j n SER 5 Ca 0.59 0.58 -0.09 0.00 -1.33 0.00 0.00 58.87 58.62 1x5j n SER 5 Cb 0.47 -1.28 -0.03 0.00 -0.75 0.00 0.00 64.21 62.61 1x5j n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5j n SER 6 N -0.97 1.21 -2.97 -3.46 7.64 -1.26 -4.94 113.62 108.87 1x5j n SER 6 Ca 0.11 0.19 -0.15 0.00 1.01 0.00 0.00 58.87 60.03 1x5j n SER 6 Cb 0.50 -0.46 0.01 0.00 -1.01 0.00 0.00 64.21 63.26 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 2.37 1.82 3.71 0.23 0.00 -1.26 -5.12 105.19 106.94 1x5j n GLY 7 Ca -0.16 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.72 4.33 0.40 1.61 0.04 -1.26 -4.55 135.00 134.86 1x5j s PRO 8 Ca 0.32 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.44 1x5j s PRO 8 Cb 0.27 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.53 1x5j s PRO 8 CO -0.12 -0.43 0.57 -1.64 0.04 0.00 0.00 177.00 175.43 1x5j s MET 9 N 1.18 3.00 -0.21 4.56 -1.94 -1.26 -5.03 119.30 119.60 1x5j s MET 9 Ca 0.64 -0.87 -0.29 0.00 -1.71 0.00 0.00 55.69 53.46 1x5j s MET 9 Cb -0.36 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 33.79 1x5j s MET 9 CO 0.30 -0.16 1.01 -1.64 -0.01 0.00 0.00 175.02 174.52 1x5j s MET 10 N -4.37 4.27 0.77 2.03 -1.94 -1.26 -4.52 119.30 114.28 1x5j s MET 10 Ca 0.49 1.32 -0.11 0.00 -1.71 0.00 0.00 55.69 55.68 1x5j s MET 10 Cb -0.10 -3.63 0.06 0.00 2.01 0.00 0.00 34.83 33.17 1x5j s MET 10 CO 0.34 -0.57 1.09 -1.25 -0.01 0.00 0.00 175.02 174.62 1x5j s PRO 11 N 2.99 2.26 -0.12 2.03 0.04 -1.26 -4.84 135.00 136.11 1x5j s PRO 11 Ca 0.44 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 1x5j s PRO 11 Cb -0.15 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1x5j s PRO 11 CO 0.08 -1.64 1.54 -1.25 0.04 0.00 0.00 177.00 175.76 1x5j s PRO 12 N -4.88 4.12 0.41 0.56 0.04 -1.26 -4.85 135.00 129.14 1x5j s PRO 12 Ca 0.61 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.67 1x5j s PRO 12 Cb -0.17 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 30.43 1x5j s PRO 12 CO 0.56 -0.89 0.48 0.14 0.04 0.00 0.00 177.00 177.33 1x5j s VAL 13 N 4.10 3.01 0.00 -0.36 -7.23 -0.92 -4.50 120.40 114.50 1x5j s VAL 13 Ca 0.68 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1x5j s VAL 13 Cb -0.28 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.61 1x5j s VAL 13 CO 0.25 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 1x5j n GLY 14 N -1.70 0.86 3.69 2.32 0.00 -1.26 -0.38 105.19 108.72 1x5j n GLY 14 Ca 0.05 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.24 0.17 -4.38 1.61 0.31 -1.26 -4.59 118.33 107.96 1x5j n VAL 15 Ca 0.00 -0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.10 1x5j n VAL 15 Cb 0.00 -0.92 -0.09 0.00 -0.91 0.00 0.00 33.84 31.92 1x5j n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5j s GLN 16 N 2.72 1.65 -0.23 5.55 -2.07 -1.15 -4.72 119.66 121.40 1x5j s GLN 16 Ca 0.97 -1.95 -0.04 0.00 -1.82 0.00 0.00 55.36 52.52 1x5j s GLN 16 Cb -1.16 -0.25 0.09 0.00 -1.09 0.00 0.00 33.01 30.60 1x5j s GLN 16 CO 0.66 -0.43 0.18 0.00 -1.32 0.00 0.00 175.29 174.37 1x5j s ALA 17 N -3.51 0.12 -0.41 2.60 0.00 -1.25 -3.75 121.76 115.57 1x5j s ALA 17 Ca 0.34 -0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.73 1x5j s ALA 17 Cb 0.05 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1x5j s ALA 17 CO 0.17 -1.41 0.64 0.45 0.00 0.00 0.00 175.76 175.61 1x5j s SER 18 N 2.22 6.36 -0.79 0.00 0.15 -0.22 -4.87 113.70 116.55 1x5j s SER 18 Ca 0.07 -0.14 -0.25 0.00 0.70 0.00 0.00 55.95 56.32 1x5j s SER 18 Cb -0.16 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 1x5j s SER 18 CO -0.22 -0.71 1.98 -0.63 1.20 0.00 0.00 173.24 174.86 1x5j s ILE 19 N 2.80 3.37 -0.04 6.45 -1.09 -1.26 -1.97 121.20 129.46 1x5j s ILE 19 Ca 0.24 -0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.32 1x5j s ILE 19 Cb -0.14 -3.87 -0.32 0.00 -1.58 0.00 0.00 42.46 36.56 1x5j s ILE 19 CO 0.18 -0.82 0.81 -0.07 -1.23 0.00 0.00 174.94 173.81 1x5j h LEU 20 N 17.92 0.59 -8.39 2.97 3.38 -1.77 -3.49 115.31 126.52 1x5j h LEU 20 Ca -0.03 -0.92 -0.16 0.00 0.09 0.00 0.00 57.88 56.87 1x5j h LEU 20 Cb 1.06 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 1x5j h LEU 20 CO 1.19 1.61 -0.23 -0.44 0.09 0.00 0.00 178.44 180.66 1x5j s SER 21 N -7.23 0.26 0.54 -0.43 0.01 -0.76 -4.94 113.70 101.15 1x5j s SER 21 Ca -0.14 -1.19 0.24 0.00 1.31 0.00 0.00 55.95 56.17 1x5j s SER 21 Cb 0.03 0.58 1.44 0.00 0.21 0.00 0.00 66.02 68.28 1x5j s SER 21 CO 0.86 -1.14 2.06 1.12 0.41 0.00 0.00 173.24 176.54 1x5j h HIS 22 N 2.27 0.00 0.00 2.43 2.07 -1.95 -2.11 115.15 117.86 1x5j h HIS 22 Ca -0.29 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.17 1x5j h HIS 22 Cb 1.25 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 31.08 1x5j h HIS 22 CO 0.74 0.00 -0.66 -0.40 -3.07 0.00 0.00 177.93 174.54 1x5j n ASP 23 N -4.25 1.36 -3.84 3.10 5.75 -1.26 -3.98 116.55 113.42 1x5j n ASP 23 Ca 0.04 -2.94 -0.19 0.00 -0.01 0.00 0.00 54.79 51.69 1x5j n ASP 23 Cb 0.41 -0.40 -0.16 0.00 -1.03 0.00 0.00 41.12 39.93 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 -1.69 0.33 -0.02 2.12 2.01 -0.79 -2.69 115.64 114.91 1x5j s THR 24 Ca 0.33 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.33 1x5j s THR 24 Cb 0.34 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.44 1x5j s THR 24 CO -0.09 0.19 0.06 -0.63 -0.69 0.00 0.00 174.62 173.46 1x5j s ILE 25 N 1.15 -0.01 -0.18 1.82 1.01 -1.03 -1.83 121.20 122.13 1x5j s ILE 25 Ca -0.08 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 1x5j s ILE 25 Cb -0.14 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 1x5j s ILE 25 CO -0.02 0.02 0.04 -0.60 0.00 0.00 0.00 174.94 174.38 1x5j s ARG 26 N 0.24 3.89 -0.30 2.79 3.52 -0.83 -2.01 118.95 126.26 1x5j s ARG 26 Ca -0.02 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.20 1x5j s ARG 26 Cb -0.03 -3.14 0.07 0.00 -1.56 0.00 0.00 34.95 30.29 1x5j s ARG 26 CO -0.01 0.26 -0.03 0.42 -0.81 0.00 0.00 175.30 175.13 1x5j s ILE 27 N 0.39 2.55 -0.11 4.11 -1.09 0.79 -1.06 121.20 126.77 1x5j s ILE 27 Ca 0.01 -1.68 0.02 0.00 -2.23 0.00 0.00 60.65 56.77 1x5j s ILE 27 Cb -0.13 -2.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.18 1x5j s ILE 27 CO 0.01 -0.19 -0.19 0.42 -1.23 0.00 0.00 174.94 173.76 1x5j s THR 28 N 1.13 2.52 0.32 2.92 -4.23 -1.25 -0.23 115.64 116.82 1x5j s THR 28 Ca -0.04 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 1x5j s THR 28 Cb -0.20 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1x5j s THR 28 CO -0.04 0.54 0.13 -1.66 -0.54 0.00 0.00 174.62 173.06 1x5j s TRP 29 N 0.35 1.67 0.03 3.99 -2.14 -1.19 -2.96 118.94 118.70 1x5j s TRP 29 Ca -0.15 -1.28 0.08 0.00 2.66 0.00 0.00 56.10 57.41 1x5j s TRP 29 Cb -0.17 -0.97 -0.03 0.00 -3.10 0.00 0.00 33.47 29.20 1x5j s TRP 29 CO 0.07 -0.39 -0.24 0.00 -2.66 0.00 0.00 176.95 173.74 1x5j s ALA 30 N -3.51 1.99 -0.82 2.67 0.00 0.49 -4.73 121.76 117.86 1x5j s ALA 30 Ca 0.34 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1x5j s ALA 30 Cb 0.05 -0.43 0.22 0.00 0.00 0.00 0.00 23.12 22.97 1x5j s ALA 30 CO 0.16 0.47 0.77 -0.40 0.00 0.00 0.00 175.76 176.76 1x5j n ASP 31 N 1.95 4.04 -0.34 0.00 5.68 -1.26 -2.16 116.55 124.46 1x5j n ASP 31 Ca -0.17 -3.24 0.33 0.00 -0.50 0.00 0.00 54.79 51.22 1x5j n ASP 31 Cb 0.52 -0.93 0.59 0.00 -1.14 0.00 0.00 41.12 40.16 1x5j n ASP 31 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1x5j n ASN 32 N 1.86 0.31 -0.26 -1.12 0.23 -1.26 -0.11 115.26 114.91 1x5j n ASN 32 Ca 0.23 1.55 0.22 0.00 -0.53 0.00 0.00 54.58 56.05 1x5j n ASN 32 Cb 0.37 -0.76 0.41 0.00 -2.08 0.00 0.00 39.78 37.72 1x5j n ASN 32 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1x5j n SER 33 N -5.07 0.18 -4.77 0.53 2.88 -1.26 -4.31 113.62 101.81 1x5j n SER 33 Ca 0.37 1.31 -0.38 0.00 -1.33 0.00 0.00 58.87 58.84 1x5j n SER 33 Cb 1.31 -0.60 -0.01 0.00 -0.75 0.00 0.00 64.21 64.16 1x5j n SER 33 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1x5j s LEU 34 N -9.72 4.17 0.00 2.46 1.43 0.84 -5.04 118.68 112.82 1x5j s LEU 34 Ca -0.08 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1x5j s LEU 34 Cb 0.26 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1x5j s LEU 34 CO 0.61 -0.79 0.00 -0.81 0.23 0.00 0.00 176.35 175.59 1x5j n PRO 35 N -0.01 -0.02 -0.28 1.29 -0.04 -1.26 -4.81 135.00 129.87 1x5j n PRO 35 Ca 0.05 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1x5j n PRO 35 Cb 0.46 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.17 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 -0.76 -0.06 -3.23 0.54 3.00 -1.26 -4.20 118.16 112.19 1x5j n LYS 36 Ca 0.00 1.22 -0.36 0.00 -0.00 0.00 0.00 58.31 59.17 1x5j n LYS 36 Cb 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 35.03 33.02 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 -5.73 3.68 -1.04 5.64 -3.43 -1.26 -5.01 115.29 108.14 1x5j s HIS 37 Ca -0.10 1.25 -0.02 0.00 -0.80 0.00 0.00 55.06 55.38 1x5j s HIS 37 Cb 0.24 -2.50 0.31 0.00 -1.43 0.00 0.00 32.58 29.21 1x5j s HIS 37 CO 0.64 0.43 1.64 1.04 -2.00 0.00 0.00 174.74 176.50 1x5j n GLN 38 N 1.00 4.94 -4.09 -0.38 1.13 -1.26 -4.83 117.38 113.90 1x5j n GLN 38 Ca -0.05 -4.62 -0.33 0.00 -1.94 0.00 0.00 57.00 50.06 1x5j n GLN 38 Cb 0.51 -2.48 -0.15 0.00 0.11 0.00 0.00 30.24 28.23 1x5j n GLN 38 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1x5j s LYS 39 N -3.61 2.65 -1.14 -1.09 2.20 -1.26 -5.04 119.74 112.45 1x5j s LYS 39 Ca 0.36 -1.07 -0.23 0.00 -0.36 0.00 0.00 55.97 54.67 1x5j s LYS 39 Cb 0.13 -2.74 -0.09 0.00 -1.51 0.00 0.00 37.83 33.62 1x5j s LYS 39 CO -0.02 -0.38 1.95 0.42 -0.36 0.00 0.00 175.35 176.96 1x5j s ILE 40 N 1.21 3.49 -0.53 5.43 1.01 -1.26 -4.77 121.20 125.78 1x5j s ILE 40 Ca -0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1x5j s ILE 40 Cb -0.16 -4.44 0.20 0.00 0.01 0.00 0.00 42.46 38.07 1x5j s ILE 40 CO -0.09 -0.91 2.38 0.35 0.00 0.00 0.00 174.94 176.67 1x5j n THR 41 N 7.91 3.30 -4.25 2.92 -2.24 -1.26 -4.90 114.28 115.76 1x5j n THR 41 Ca 0.44 -2.97 -0.17 0.00 -2.27 0.00 0.00 64.05 59.08 1x5j n THR 41 Cb 0.47 -1.42 -0.08 0.00 -2.10 0.00 0.00 70.33 67.19 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 -0.24 1.18 -0.55 3.42 2.15 -1.26 -5.05 116.67 116.32 1x5j s ASP 42 Ca 0.53 -1.63 0.01 0.00 0.43 0.00 0.00 52.55 51.88 1x5j s ASP 42 Cb 0.38 0.51 0.50 0.00 -0.30 0.00 0.00 42.92 44.01 1x5j s ASP 42 CO -0.19 -1.01 1.86 -1.20 -0.17 0.00 0.00 175.17 174.46 1x5j n SER 43 N -1.16 6.22 -4.94 -0.34 7.64 -1.26 -4.99 113.62 114.79 1x5j n SER 43 Ca 0.06 -3.75 -0.24 0.00 1.01 0.00 0.00 58.87 55.94 1x5j n SER 43 Cb 0.63 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 -3.66 3.33 -0.01 1.43 1.70 -1.26 -5.00 118.95 115.48 1x5j s ARG 44 Ca 0.60 -0.27 0.02 0.00 -0.47 0.00 0.00 55.73 55.61 1x5j s ARG 44 Cb 0.48 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 32.31 1x5j s ARG 44 CO 0.02 -0.10 -0.05 1.52 -1.08 0.00 0.00 175.30 175.61 1x5j s TYR 45 N -2.51 0.52 0.34 5.89 1.13 -1.25 -4.83 117.35 116.64 1x5j s TYR 45 Ca 0.45 -0.10 -0.01 0.00 -1.41 0.00 0.00 57.07 55.99 1x5j s TYR 45 Cb -0.10 -0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 40.35 1x5j s TYR 45 CO 0.39 -0.04 0.57 0.71 -2.51 0.00 0.00 175.55 174.66 1x5j s TYR 46 N 0.12 3.50 -0.16 -3.49 2.02 -1.23 -3.43 117.35 114.67 1x5j s TYR 46 Ca -0.01 0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 57.13 1x5j s TYR 46 Cb -0.05 -1.99 0.05 0.00 -0.40 0.00 0.00 41.96 39.57 1x5j s TYR 46 CO -0.00 0.10 0.03 0.99 -1.57 0.00 0.00 175.55 175.09 1x5j s THR 47 N -2.29 0.48 -0.26 -0.71 2.01 -0.92 -3.03 115.64 110.92 1x5j s THR 47 Ca 0.42 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.90 1x5j s THR 47 Cb -0.10 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1x5j s THR 47 CO 0.35 -0.08 0.32 -0.69 -0.69 0.00 0.00 174.62 173.83 1x5j s VAL 48 N 1.89 5.23 -0.02 3.82 1.01 -1.24 -2.59 120.40 128.50 1x5j s VAL 48 Ca 0.01 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1x5j s VAL 48 Cb -0.16 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1x5j s VAL 48 CO -0.07 0.21 -0.09 0.00 0.00 0.00 0.00 175.10 175.15 1x5j s ARG 49 N 1.76 2.56 0.02 2.72 1.70 -0.21 -0.69 118.95 126.81 1x5j s ARG 49 Ca 0.13 -0.69 -0.11 0.00 -0.47 0.00 0.00 55.73 54.59 1x5j s ARG 49 Cb -0.15 -2.48 0.01 0.00 -0.57 0.00 0.00 34.95 31.75 1x5j s ARG 49 CO 0.09 0.62 0.24 1.67 -1.08 0.00 0.00 175.30 176.84 1x5j s TRP 50 N -0.90 -0.05 0.33 5.89 -2.14 -1.21 -1.61 118.94 119.25 1x5j s TRP 50 Ca 0.15 -0.03 -0.08 0.00 2.66 0.00 0.00 56.10 58.80 1x5j s TRP 50 Cb -0.11 0.03 0.01 0.00 -3.10 0.00 0.00 33.47 30.30 1x5j s TRP 50 CO 0.05 -0.40 0.54 -1.59 -2.66 0.00 0.00 176.95 172.88 1x5j s LYS 51 N -1.92 1.88 -0.02 3.25 -2.85 -1.22 -2.75 119.74 116.12 1x5j s LYS 51 Ca -0.10 -1.56 -0.01 0.00 -1.00 0.00 0.00 55.97 53.30 1x5j s LYS 51 Cb -0.04 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1x5j s LYS 51 CO 0.00 -0.80 0.08 0.95 0.10 0.00 0.00 175.35 175.67 1x5j s THR 52 N -3.16 4.74 0.16 3.79 -4.23 -1.26 -1.86 115.64 113.82 1x5j s THR 52 Ca 0.25 -0.35 0.29 0.00 -1.18 0.00 0.00 61.69 60.70 1x5j s THR 52 Cb -0.01 -3.14 0.31 0.00 1.34 0.00 0.00 72.50 71.00 1x5j s THR 52 CO 0.16 0.40 1.93 -1.13 -0.54 0.00 0.00 174.62 175.43 1x5j h ASN 53 N 4.27 0.00 -3.20 3.99 -0.00 -1.74 -3.42 115.58 115.48 1x5j h ASN 53 Ca -0.50 0.00 -0.56 0.00 -0.00 0.00 0.00 56.30 55.24 1x5j h ASN 53 Cb 1.19 0.00 -0.36 0.00 -0.00 0.00 0.00 38.32 39.15 1x5j h ASN 53 CO 0.61 0.11 -0.82 -0.63 -0.00 0.00 0.00 177.43 176.70 1x5j s ILE 54 N -3.73 1.30 0.66 2.57 1.01 -1.26 -3.02 121.20 118.74 1x5j s ILE 54 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 1x5j s ILE 54 Cb 0.10 -1.24 0.16 0.00 0.01 0.00 0.00 42.46 41.49 1x5j s ILE 54 CO 0.59 0.41 0.59 -0.81 0.00 0.00 0.00 174.94 175.71 1x5j n PRO 55 N 4.62 -2.18 -0.03 2.79 -0.04 -1.26 -5.05 135.00 133.85 1x5j n PRO 55 Ca -0.16 -0.94 -0.14 0.00 -0.04 0.00 0.00 63.50 62.22 1x5j n PRO 55 Cb 0.50 -0.88 -0.11 0.00 -0.04 0.00 0.00 33.50 32.98 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 -2.40 0.04 -2.63 0.55 0.00 -1.83 -3.38 119.26 109.60 1x5j h ALA 56 Ca -0.22 -0.38 -0.79 0.00 0.00 0.00 0.00 54.91 53.52 1x5j h ALA 56 Cb 0.68 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.20 1x5j h ALA 56 CO 0.14 -0.04 0.35 1.21 0.00 0.00 0.00 179.25 180.91 1x5j s ASN 57 N -6.06 7.09 0.20 0.00 2.47 -1.26 -4.96 114.94 112.41 1x5j s ASN 57 Ca -0.16 -3.20 0.10 0.00 0.42 0.00 0.00 52.86 50.03 1x5j s ASN 57 Cb 0.01 -2.22 -0.04 0.00 -1.45 0.00 0.00 41.25 37.55 1x5j s ASN 57 CO 0.71 -0.43 -0.17 0.28 -3.72 0.00 0.00 177.10 173.77 1x5j s THR 58 N -0.55 2.72 0.77 -5.21 -1.32 -1.26 -5.11 115.64 105.67 1x5j s THR 58 Ca 0.26 -1.92 -0.15 0.00 -1.21 0.00 0.00 61.69 58.67 1x5j s THR 58 Cb -0.10 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 1x5j s THR 58 CO -0.08 -0.15 0.75 2.29 -2.21 0.00 0.00 174.62 175.22 1x5j n LYS 59 N 0.06 0.26 -3.97 7.08 0.00 -1.26 -4.97 118.16 115.36 1x5j n LYS 59 Ca -0.11 0.14 -0.31 0.00 -0.00 0.00 0.00 58.31 58.03 1x5j n LYS 59 Cb 0.56 -2.05 -0.05 0.00 -0.00 0.00 0.00 35.03 33.49 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 -1.98 3.41 0.35 5.58 2.02 -1.26 -4.79 117.35 120.67 1x5j s TYR 60 Ca 0.68 0.20 0.08 0.00 -0.37 0.00 0.00 57.07 57.67 1x5j s TYR 60 Cb -0.32 -1.72 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 1x5j s TYR 60 CO 0.56 0.57 0.11 0.15 -1.57 0.00 0.00 175.55 175.37 1x5j s LYS 61 N -2.37 2.28 0.01 -0.62 1.02 -1.11 -5.01 119.74 113.94 1x5j s LYS 61 Ca 0.32 -1.63 -0.16 0.00 0.02 0.00 0.00 55.97 54.52 1x5j s LYS 61 Cb -0.13 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.12 1x5j s LYS 61 CO 0.24 0.10 0.34 0.54 -0.92 0.00 0.00 175.35 175.65 1x5j s ASN 62 N -3.82 -0.20 0.39 2.83 2.20 -1.26 -3.28 114.94 111.80 1x5j s ASN 62 Ca 0.37 -0.00 0.04 0.00 -0.94 0.00 0.00 52.86 52.32 1x5j s ASN 62 Cb -0.01 0.35 -0.03 0.00 -2.00 0.00 0.00 41.25 39.56 1x5j s ASN 62 CO 0.22 -0.55 0.11 0.00 -2.94 0.00 0.00 177.10 173.95 1x5j s ALA 63 N -1.93 2.76 -0.20 3.54 0.00 0.14 -4.94 121.76 121.12 1x5j s ALA 63 Ca -0.09 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.42 1x5j s ALA 63 Cb -0.03 0.75 0.06 0.00 0.00 0.00 0.00 23.12 23.90 1x5j s ALA 63 CO 0.01 -0.34 0.05 -0.80 0.00 0.00 0.00 175.76 174.68 1x5j s ASN 64 N -3.57 2.92 -0.30 0.00 0.01 -1.26 -3.68 114.94 109.06 1x5j s ASN 64 Ca 0.27 -0.86 -0.06 0.00 -0.71 0.00 0.00 52.86 51.50 1x5j s ASN 64 Cb 0.04 -0.54 0.16 0.00 0.41 0.00 0.00 41.25 41.31 1x5j s ASN 64 CO 0.15 -0.33 0.62 0.00 -1.51 0.00 0.00 177.10 176.03 1x5j s ALA 65 N 1.90 -2.11 -0.78 0.60 0.00 -1.17 -5.05 121.76 115.15 1x5j s ALA 65 Ca 0.01 2.07 -0.23 0.00 0.00 0.00 0.00 51.96 53.81 1x5j s ALA 65 Cb -0.17 -1.95 0.07 0.00 0.00 0.00 0.00 23.12 21.07 1x5j s ALA 65 CO -0.11 -1.12 1.14 0.95 0.00 0.00 0.00 175.76 176.63 1x5j s THR 66 N 2.87 4.19 0.00 0.00 -4.23 -1.26 -3.56 115.64 113.65 1x5j s THR 66 Ca 0.07 -0.46 -0.29 0.00 -1.18 0.00 0.00 61.69 59.83 1x5j s THR 66 Cb -0.13 -4.81 0.11 0.00 1.34 0.00 0.00 72.50 69.00 1x5j s THR 66 CO -0.20 -1.63 1.26 0.28 -0.54 0.00 0.00 174.62 173.79 1x5j s THR 67 N 4.35 0.00 -0.41 3.99 -1.32 -1.26 -4.97 115.64 116.02 1x5j s THR 67 Ca 0.31 -0.24 0.06 0.00 -1.21 0.00 0.00 61.69 60.60 1x5j s THR 67 Cb -0.10 -2.41 0.69 0.00 -1.51 0.00 0.00 72.50 69.17 1x5j s THR 67 CO 0.05 0.00 1.88 0.18 -2.21 0.00 0.00 174.62 174.52 1x5j n LEU 68 N -0.65 6.52 -3.55 9.08 4.77 -1.26 -4.86 117.00 127.05 1x5j n LEU 68 Ca -0.04 -3.45 -0.00 0.00 -0.03 0.00 0.00 56.01 52.48 1x5j n LEU 68 Cb 0.61 -0.81 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1x5j n LEU 68 CO 0.14 0.96 0.70 -0.94 -1.33 0.00 0.00 177.39 176.92 1x5j s SER 69 N -1.18 -0.47 0.03 -1.43 1.04 -1.26 -3.15 113.70 107.28 1x5j s SER 69 Ca 0.56 0.71 0.05 0.00 0.48 0.00 0.00 55.95 57.74 1x5j s SER 69 Cb 0.46 1.33 -0.02 0.00 0.10 0.00 0.00 66.02 67.89 1x5j s SER 69 CO 0.12 -0.11 -0.14 -0.47 0.98 0.00 0.00 173.24 173.62 1x5j s TYR 70 N 1.70 1.25 -0.11 5.02 6.14 0.67 -5.00 117.35 127.02 1x5j s TYR 70 Ca -0.06 -0.33 0.03 0.00 0.64 0.00 0.00 57.07 57.34 1x5j s TYR 70 Cb -0.04 -0.75 0.00 0.00 0.42 0.00 0.00 41.96 41.59 1x5j s TYR 70 CO -0.15 0.03 -0.22 -1.17 0.64 0.00 0.00 175.55 174.67 1x5j s LEU 71 N -1.01 2.06 -0.10 6.97 0.20 -1.26 -0.15 118.68 125.39 1x5j s LEU 71 Ca 0.02 -0.55 -0.03 0.00 0.69 0.00 0.00 54.13 54.26 1x5j s LEU 71 Cb -0.07 -1.38 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 1x5j s LEU 71 CO 0.01 0.13 0.02 -0.69 -0.29 0.00 0.00 176.35 175.53 1x5j s VAL 72 N 0.51 4.49 0.01 1.68 1.01 -0.85 -5.01 120.40 122.24 1x5j s VAL 72 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1x5j s VAL 72 Cb -0.17 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1x5j s VAL 72 CO 0.05 0.60 -0.03 0.42 0.00 0.00 0.00 175.10 176.15 1x5j s THR 73 N -0.82 0.15 0.00 3.92 -4.23 -1.26 -2.47 115.64 110.93 1x5j s THR 73 Ca 0.13 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1x5j s THR 73 Cb -0.12 -0.20 0.00 0.00 1.34 0.00 0.00 72.50 73.52 1x5j s THR 73 CO 0.02 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1x5j n GLY 74 N 2.37 0.91 3.81 3.99 0.00 -1.09 -5.06 105.19 110.12 1x5j n GLY 74 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 3.13 0.02 0.99 1.43 -1.26 -5.12 118.68 117.87 1x5j s LEU 75 Ca 0.00 -1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 1x5j s LEU 75 Cb 0.00 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1x5j s LEU 75 CO 0.00 -0.68 0.36 -0.75 0.23 0.00 0.00 176.35 175.51 1x5j s LYS 76 N -4.04 3.76 0.78 1.70 2.20 -1.26 -4.55 119.74 118.33 1x5j s LYS 76 Ca 0.42 0.19 -0.11 0.00 -0.36 0.00 0.00 55.97 56.12 1x5j s LYS 76 Cb 0.01 -3.11 0.06 0.00 -1.51 0.00 0.00 37.83 33.28 1x5j s LYS 76 CO 0.24 0.64 1.09 -1.25 -0.36 0.00 0.00 175.35 175.71 1x5j s PRO 77 N -1.49 2.17 -1.44 4.03 0.04 -1.26 -3.82 135.00 133.23 1x5j s PRO 77 Ca 0.27 1.14 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 1x5j s PRO 77 Cb -0.15 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1x5j s PRO 77 CO 0.15 -1.69 0.24 0.27 0.04 0.00 0.00 177.00 176.00 1x5j n ASN 78 N -3.55 -0.48 -3.73 6.66 0.23 -1.23 -4.89 115.26 108.27 1x5j n ASN 78 Ca 0.09 -1.22 -0.12 0.00 -0.53 0.00 0.00 54.58 52.80 1x5j n ASN 78 Cb 0.53 -1.96 -0.13 0.00 -2.08 0.00 0.00 39.78 36.15 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1x5j s THR 79 N -4.11 -0.03 0.24 5.53 2.01 -1.25 -5.02 115.64 113.01 1x5j s THR 79 Ca 0.11 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1x5j s THR 79 Cb -0.06 -0.42 -0.09 0.00 0.01 0.00 0.00 72.50 71.94 1x5j s THR 79 CO 0.97 0.05 1.28 -0.22 -0.69 0.00 0.00 174.62 176.01 1x5j s LEU 80 N 1.18 4.44 0.05 4.42 2.96 -1.26 -3.91 118.68 126.55 1x5j s LEU 80 Ca -0.08 2.46 0.03 0.00 -0.22 0.00 0.00 54.13 56.32 1x5j s LEU 80 Cb -0.09 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1x5j s LEU 80 CO -0.08 -0.48 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.06 1x5j s TYR 81 N -0.38 0.86 0.17 5.38 2.02 -1.09 -1.83 117.35 122.48 1x5j s TYR 81 Ca 0.53 -0.47 0.05 0.00 -0.37 0.00 0.00 57.07 56.80 1x5j s TYR 81 Cb -0.37 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.65 1x5j s TYR 81 CO 0.42 -0.03 0.19 -1.21 -1.57 0.00 0.00 175.55 173.35 1x5j s GLU 82 N -1.59 3.06 -0.18 -0.62 2.02 -0.78 -2.31 118.70 118.29 1x5j s GLU 82 Ca -0.07 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.02 1x5j s GLU 82 Cb -0.10 -2.73 0.07 0.00 0.10 0.00 0.00 34.13 31.48 1x5j s GLU 82 CO 0.01 0.48 0.42 -0.06 0.02 0.00 0.00 175.26 176.14 1x5j s PHE 83 N -1.79 -0.69 -0.04 1.61 0.08 -1.01 -3.40 117.98 112.75 1x5j s PHE 83 Ca 0.32 1.40 -0.07 0.00 0.12 0.00 0.00 56.93 58.70 1x5j s PHE 83 Cb -0.10 0.29 0.01 0.00 -0.57 0.00 0.00 43.02 42.65 1x5j s PHE 83 CO 0.25 -0.40 0.17 0.45 -0.10 0.00 0.00 175.22 175.59 1x5j s SER 84 N 1.84 -0.11 0.03 1.36 0.15 -0.63 -1.22 113.70 115.13 1x5j s SER 84 Ca -0.07 0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.80 1x5j s SER 84 Cb -0.10 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1x5j s SER 84 CO -0.13 -0.20 -0.24 -0.69 1.20 0.00 0.00 173.24 173.18 1x5j s VAL 85 N -0.55 1.93 0.09 4.45 1.01 -1.26 -1.05 120.40 125.02 1x5j s VAL 85 Ca -0.06 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 1x5j s VAL 85 Cb -0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1x5j s VAL 85 CO 0.01 0.35 0.01 0.00 0.00 0.00 0.00 175.10 175.47 1x5j s MET 86 N -1.06 0.78 0.04 2.72 0.23 -1.07 -2.68 119.30 118.26 1x5j s MET 86 Ca 0.10 -1.33 0.08 0.00 -1.03 0.00 0.00 55.69 53.50 1x5j s MET 86 Cb -0.09 0.18 -0.03 0.00 -1.53 0.00 0.00 34.83 33.36 1x5j s MET 86 CO 0.01 -0.17 -0.23 0.54 -2.03 0.00 0.00 175.02 173.14 1x5j s VAL 87 N -3.95 1.86 -0.00 5.16 0.11 -1.26 -2.18 120.40 120.14 1x5j s VAL 87 Ca 0.15 -1.26 0.01 0.00 -2.93 0.00 0.00 61.98 57.95 1x5j s VAL 87 Cb 0.08 -1.60 -0.00 0.00 -1.53 0.00 0.00 36.38 33.32 1x5j s VAL 87 CO -0.04 0.29 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.10 1x5j s THR 88 N -0.79 0.21 -0.12 5.04 2.01 -1.22 -2.28 115.64 118.49 1x5j s THR 88 Ca 0.09 -0.12 -0.17 0.00 0.31 0.00 0.00 61.69 61.81 1x5j s THR 88 Cb -0.09 -0.18 0.04 0.00 0.01 0.00 0.00 72.50 72.28 1x5j s THR 88 CO 0.02 0.06 0.43 -0.75 -0.69 0.00 0.00 174.62 173.69 1x5j s LYS 89 N -0.07 0.61 2.65 4.92 2.20 -1.15 -3.77 119.74 125.12 1x5j s LYS 89 Ca 0.01 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1x5j s LYS 89 Cb -0.01 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1x5j s LYS 89 CO -0.00 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1x5j n GLY 90 N 2.26 0.73 0.59 5.54 0.00 -1.26 -0.38 105.19 112.67 1x5j n GLY 90 Ca -0.16 0.67 0.05 0.00 0.00 0.00 0.00 46.02 46.58 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 0.61 -4.62 1.61 1.74 -1.26 -5.08 116.66 109.66 1x5j n ARG 91 Ca 0.00 -2.00 -0.30 0.00 -0.77 0.00 0.00 57.85 54.77 1x5j n ARG 91 Cb 0.00 -0.86 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 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 -1.32 2.11 -0.29 5.56 3.03 0.49 -5.00 118.95 123.53 1x5j s ARG 92 Ca 0.22 -2.24 -0.25 0.00 2.03 0.00 0.00 55.73 55.49 1x5j s ARG 92 Cb 0.21 -1.63 0.15 0.00 -1.03 0.00 0.00 34.95 32.65 1x5j s ARG 92 CO -0.04 -0.24 1.18 -1.54 -1.13 0.00 0.00 175.30 173.54 1x5j s SER 93 N -3.84 -0.30 0.50 -2.89 1.04 -1.26 -2.96 113.70 103.99 1x5j s SER 93 Ca 0.20 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1x5j s SER 93 Cb 0.05 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.79 1x5j s SER 93 CO 0.11 -0.10 0.72 -0.94 0.98 0.00 0.00 173.24 174.01 1x5j s SER 94 N 0.19 5.59 1.09 7.02 1.04 -0.97 -4.56 113.70 123.10 1x5j s SER 94 Ca 0.04 0.18 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 1x5j s SER 94 Cb -0.05 -1.26 0.24 0.00 0.10 0.00 0.00 66.02 65.04 1x5j s SER 94 CO -0.10 -0.90 1.16 0.28 0.98 0.00 0.00 173.24 174.66 1x5j s THR 95 N -2.66 1.79 -0.45 2.02 -1.32 -1.26 -4.66 115.64 109.10 1x5j s THR 95 Ca 0.52 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.71 1x5j s THR 95 Cb -0.10 -2.64 0.03 0.00 -1.51 0.00 0.00 72.50 68.27 1x5j s THR 95 CO 0.38 0.00 1.13 0.26 -2.21 0.00 0.00 174.62 174.18 1x5j s TRP 96 N -3.24 2.87 1.02 9.09 0.52 -1.26 -4.70 118.94 123.23 1x5j s TRP 96 Ca 0.70 0.79 -0.21 0.00 0.02 0.00 0.00 56.10 57.40 1x5j s TRP 96 Cb -0.10 -4.33 -0.08 0.00 -1.15 0.00 0.00 33.47 27.81 1x5j s TRP 96 CO 0.55 -1.20 -0.71 -1.13 0.02 0.00 0.00 176.95 174.48 1x5j n SER 97 N 7.70 -3.55 -4.71 2.95 3.41 -1.09 -4.64 113.62 113.69 1x5j n SER 97 Ca 0.12 0.07 -0.59 0.00 -0.26 0.00 0.00 58.87 58.21 1x5j n SER 97 Cb 0.49 -0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 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 0.85 0.95 -1.80 4.33 0.00 -1.26 -4.69 117.12 115.50 1x5j n MET 98 Ca -0.00 0.35 -0.42 0.00 0.00 0.00 0.00 57.70 57.63 1x5j n MET 98 Cb 0.64 -2.01 -0.03 0.00 0.00 0.00 0.00 33.22 31.82 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 3.60 3.24 -0.31 3.17 2.01 -1.26 -4.79 115.64 121.30 1x5j s THR 99 Ca 1.00 0.29 -0.17 0.00 0.31 0.00 0.00 61.69 63.12 1x5j s THR 99 Cb -1.14 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 1x5j s THR 99 CO 0.68 -0.03 0.46 0.00 -0.69 0.00 0.00 174.62 175.05 1x5j s ALA 100 N 4.36 3.53 -0.33 7.40 0.00 -0.35 -4.91 121.76 131.46 1x5j s ALA 100 Ca 0.83 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 1x5j s ALA 100 Cb -0.39 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1x5j s ALA 100 CO 0.37 -0.94 0.53 -1.01 0.00 0.00 0.00 175.76 174.70 1x5j s HIS 101 N 2.25 3.20 -0.09 0.00 3.76 -1.26 -2.39 115.29 120.75 1x5j s HIS 101 Ca 0.18 0.33 0.01 0.00 -0.15 0.00 0.00 55.06 55.43 1x5j s HIS 101 Cb -0.16 -2.90 0.02 0.00 1.11 0.00 0.00 32.58 30.65 1x5j s HIS 101 CO 0.11 -0.48 -0.12 0.20 -0.85 0.00 0.00 174.74 173.60 1x5j s GLY 102 N 1.71 0.89 -0.27 -2.22 0.00 -0.98 -4.96 107.32 101.49 1x5j s GLY 102 Ca 0.20 -0.56 -0.09 0.00 0.00 0.00 0.00 44.72 44.28 1x5j s GLY 102 CO 0.12 0.32 0.12 -1.59 0.00 0.00 0.00 173.10 172.08 1x5j s THR 103 N 1.03 4.63 1.18 0.90 2.01 -1.26 -2.69 115.64 121.44 1x5j s THR 103 Ca -0.07 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 1x5j s THR 103 Cb -0.15 -3.22 0.28 0.00 0.01 0.00 0.00 72.50 69.43 1x5j s THR 103 CO -0.01 0.26 1.03 0.42 -0.69 0.00 0.00 174.62 175.64 1x5j s THR 104 N 1.65 1.83 0.27 -0.82 -4.23 -1.25 -4.94 115.64 108.16 1x5j s THR 104 Ca 0.06 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.41 1x5j s THR 104 Cb -0.16 -2.22 -0.08 0.00 1.34 0.00 0.00 72.50 71.38 1x5j s THR 104 CO 0.06 0.00 0.71 -0.36 -0.54 0.00 0.00 174.62 174.49 1x5j s PHE 105 N -2.62 3.48 0.27 3.99 0.08 -1.26 -3.99 117.98 117.93 1x5j s PHE 105 Ca 0.68 1.24 -0.31 0.00 0.12 0.00 0.00 56.93 58.66 1x5j s PHE 105 Cb -0.20 -2.53 -0.12 0.00 -0.57 0.00 0.00 43.02 39.60 1x5j s PHE 105 CO 0.61 0.20 1.65 -1.21 -0.10 0.00 0.00 175.22 176.37 1x5j s GLU 106 N -2.59 4.11 -1.06 0.44 8.01 -1.26 -3.52 118.70 122.84 1x5j s GLU 106 Ca 0.49 2.60 -0.11 0.00 0.01 0.00 0.00 54.97 57.96 1x5j s GLU 106 Cb -0.13 -3.04 0.24 0.00 -4.31 0.00 0.00 34.13 26.90 1x5j s GLU 106 CO 0.19 -0.68 1.08 -1.17 0.01 0.00 0.00 175.26 174.69 1x5j s LEU 107 N 0.05 6.19 0.19 1.80 2.96 -1.26 -4.93 118.68 123.68 1x5j s LEU 107 Ca 0.67 -3.24 -0.02 0.00 -0.22 0.00 0.00 54.13 51.33 1x5j s LEU 107 Cb -0.49 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1x5j s LEU 107 CO 0.43 -0.45 0.14 -0.44 -1.32 0.00 0.00 176.35 174.70 1x5j s SER 108 N 1.83 0.17 0.00 3.68 0.01 -1.26 -5.07 113.70 113.07 1x5j s SER 108 Ca 0.30 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1x5j s SER 108 Cb -0.09 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1x5j s SER 108 CO -0.07 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.36 1x5j n GLY 109 N -0.23 -1.39 0.16 3.44 0.00 -1.26 -4.97 105.19 100.94 1x5j n GLY 109 Ca -0.00 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 0.49 -2.42 1.61 0.13 -2.04 -3.28 132.00 126.48 1x5j h PRO 110 Ca 0.00 -0.26 -0.35 0.00 -0.87 0.00 0.00 66.00 64.52 1x5j h PRO 110 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1x5j h PRO 110 CO 0.00 0.84 1.19 0.45 -0.23 0.00 0.00 178.00 180.25 1x5j n SER 111 N -4.44 6.27 -0.24 1.44 2.88 -1.26 -4.60 113.62 113.67 1x5j n SER 111 Ca -0.05 -2.48 0.02 0.00 -1.33 0.00 0.00 58.87 55.03 1x5j n SER 111 Cb 0.41 -1.41 0.15 0.00 -0.75 0.00 0.00 64.21 62.60 1x5j n SER 111 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x5j h SER 112 N 3.90 0.35 0.00 -3.46 0.02 -1.99 -3.50 113.55 108.87 1x5j h SER 112 Ca 0.43 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1x5j h SER 112 Cb 1.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1x5j h SER 112 CO 0.81 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 177.30