#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5j n SER 2 N 0.00 4.46 -0.07 1.61 7.64 -1.26 -4.80 113.62 121.20 1x5j n SER 2 Ca 0.00 -3.57 -0.15 0.00 1.01 0.00 0.00 58.87 56.16 1x5j n SER 2 Cb 0.00 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 62.67 1x5j n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x5j h SER 3 N 2.39 0.00 -6.93 6.43 0.87 -2.10 -3.47 113.55 110.74 1x5j h SER 3 Ca 0.29 -0.92 -0.49 0.00 -1.23 0.00 0.00 61.79 59.44 1x5j h SER 3 Cb 1.29 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.17 1x5j h SER 3 CO 0.74 1.06 -0.80 0.61 -0.53 0.00 0.00 176.83 177.91 1x5j n GLY 4 N 1.59 -0.45 3.33 5.77 0.00 -1.26 -4.92 105.19 109.25 1x5j n GLY 4 Ca -0.13 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.93 3.33 0.49 1.61 0.15 -1.26 -5.14 113.70 108.96 1x5j s SER 5 Ca 0.25 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1x5j s SER 5 Cb -0.14 -0.74 0.02 0.00 -1.71 0.00 0.00 66.02 63.45 1x5j s SER 5 CO 0.79 0.28 0.68 -0.94 1.20 0.00 0.00 173.24 175.25 1x5j s SER 6 N -0.38 5.44 0.00 5.45 1.04 -1.26 -4.90 113.70 119.09 1x5j s SER 6 Ca 0.03 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1x5j s SER 6 Cb -0.12 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1x5j s SER 6 CO 0.02 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1x5j n GLY 7 N -2.12 1.02 2.54 7.32 0.00 -1.26 -5.11 105.19 107.58 1x5j n GLY 7 Ca 0.08 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -2.58 -1.95 1.61 -0.04 -1.26 -5.01 135.00 125.78 1x5j n PRO 8 Ca 0.00 -1.27 -0.34 0.00 -0.04 0.00 0.00 63.50 61.86 1x5j n PRO 8 Cb 0.00 -1.19 0.03 0.00 -0.04 0.00 0.00 33.50 32.30 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 -4.80 3.03 -0.01 0.54 -1.94 0.91 -4.95 119.30 112.08 1x5j s MET 9 Ca 0.52 1.44 -0.24 0.00 -1.71 0.00 0.00 55.69 55.70 1x5j s MET 9 Cb -0.05 -1.98 -0.05 0.00 2.01 0.00 0.00 34.83 34.77 1x5j s MET 9 CO 0.40 -1.08 0.73 -1.64 -0.01 0.00 0.00 175.02 173.42 1x5j s MET 10 N -3.83 4.46 0.94 2.03 -1.94 -1.26 -3.86 119.30 115.83 1x5j s MET 10 Ca 0.68 0.98 -0.12 0.00 -1.71 0.00 0.00 55.69 55.52 1x5j s MET 10 Cb -0.21 -3.40 0.15 0.00 2.01 0.00 0.00 34.83 33.38 1x5j s MET 10 CO 0.36 0.19 1.09 -1.25 -0.01 0.00 0.00 175.02 175.40 1x5j s PRO 11 N 0.33 0.93 1.18 2.03 0.04 -1.26 -4.85 135.00 133.40 1x5j s PRO 11 Ca 0.38 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 61.94 1x5j s PRO 11 Cb -0.19 -1.78 0.28 0.00 0.04 0.00 0.00 34.50 32.85 1x5j s PRO 11 CO 0.21 -2.43 1.11 -1.25 0.04 0.00 0.00 177.00 174.67 1x5j s PRO 12 N -4.95 -1.08 0.35 0.56 0.04 -1.26 -4.98 135.00 123.69 1x5j s PRO 12 Ca 0.64 -0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.74 1x5j s PRO 12 Cb -0.18 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1x5j s PRO 12 CO 0.57 -3.63 0.27 0.14 0.04 0.00 0.00 177.00 174.40 1x5j s VAL 13 N -3.00 0.05 0.00 -0.36 -7.23 -0.59 -4.79 120.40 104.48 1x5j s VAL 13 Ca 0.70 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1x5j s VAL 13 Cb -0.11 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.36 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 -0.68 0.18 3.50 2.32 0.00 -1.26 -0.16 105.19 109.08 1x5j n GLY 14 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.14 0.00 -4.33 1.61 0.31 -1.26 -4.51 118.33 108.01 1x5j n VAL 15 Ca 0.00 -0.32 -0.18 0.00 -0.01 0.00 0.00 64.34 63.83 1x5j n VAL 15 Cb 0.21 -1.49 -0.10 0.00 -0.91 0.00 0.00 33.84 31.55 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 8.16 1.29 -0.08 5.55 -0.21 -1.06 -4.77 119.66 128.54 1x5j s GLN 16 Ca 1.18 -1.59 0.03 0.00 0.02 0.00 0.00 55.36 55.00 1x5j s GLN 16 Cb -0.83 -0.97 0.01 0.00 1.00 0.00 0.00 33.01 32.22 1x5j s GLN 16 CO 0.42 0.12 -0.15 0.00 -2.12 0.00 0.00 175.29 173.56 1x5j s ALA 17 N -3.09 1.52 -0.34 6.09 0.00 -1.26 -2.94 121.76 121.74 1x5j s ALA 17 Ca 0.22 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1x5j s ALA 17 Cb 0.01 -0.66 0.08 0.00 0.00 0.00 0.00 23.12 22.55 1x5j s ALA 17 CO 0.06 0.13 0.07 0.45 0.00 0.00 0.00 175.76 176.47 1x5j s SER 18 N 0.63 4.95 -0.55 0.00 0.15 0.90 -4.93 113.70 114.85 1x5j s SER 18 Ca -0.15 -1.68 -0.26 0.00 0.70 0.00 0.00 55.95 54.56 1x5j s SER 18 Cb -0.16 -1.72 -0.06 0.00 -1.71 0.00 0.00 66.02 62.36 1x5j s SER 18 CO 0.04 -0.37 2.28 -0.63 1.20 0.00 0.00 173.24 175.77 1x5j s ILE 19 N 1.14 3.09 -0.01 6.45 -1.09 -1.26 -0.38 121.20 129.15 1x5j s ILE 19 Ca 0.02 0.04 -0.19 0.00 -2.23 0.00 0.00 60.65 58.28 1x5j s ILE 19 Cb -0.21 -3.24 -0.32 0.00 -1.58 0.00 0.00 42.46 37.11 1x5j s ILE 19 CO -0.04 -0.23 0.96 -0.07 -1.23 0.00 0.00 174.94 174.33 1x5j h LEU 20 N 19.14 0.64 0.00 2.97 3.38 -1.76 -3.49 115.31 136.19 1x5j h LEU 20 Ca -0.22 -0.92 -0.18 0.00 0.09 0.00 0.00 57.88 56.65 1x5j h LEU 20 Cb 1.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1x5j h LEU 20 CO 1.16 1.51 -0.08 -1.20 0.09 0.00 0.00 178.44 179.92 1x5j n SER 21 N -3.96 -0.99 0.30 -0.43 7.64 -0.81 -4.93 113.62 110.43 1x5j n SER 21 Ca -0.15 -2.31 0.19 0.00 1.01 0.00 0.00 58.87 57.62 1x5j n SER 21 Cb 0.93 1.83 0.87 0.00 -1.01 0.00 0.00 64.21 66.82 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 1.71 0.00 0.00 1.43 2.07 -1.94 -2.99 115.15 115.43 1x5j h HIS 22 Ca -0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.33 1x5j h HIS 22 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 1x5j h HIS 22 CO 0.00 0.00 -0.30 -0.25 -3.07 0.00 0.00 177.93 174.31 1x5j n ASP 23 N -3.09 0.67 -4.09 3.10 8.00 -1.26 -3.62 116.55 116.26 1x5j n ASP 23 Ca -0.01 -2.16 -0.20 0.00 0.71 0.00 0.00 54.79 53.13 1x5j n ASP 23 Cb 0.23 -0.23 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 1x5j n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x5j s THR 24 N -0.76 0.95 -0.07 -3.53 2.01 -1.13 -2.79 115.64 110.32 1x5j s THR 24 Ca 0.08 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 1x5j s THR 24 Cb 0.07 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.78 1x5j s THR 24 CO 0.01 0.16 0.19 -0.63 -0.69 0.00 0.00 174.62 173.67 1x5j s ILE 25 N -0.47 -0.00 -0.31 1.82 1.01 -1.06 -1.92 121.20 120.27 1x5j s ILE 25 Ca 0.03 0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.61 1x5j s ILE 25 Cb -0.06 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.14 1x5j s ILE 25 CO 0.00 0.01 0.12 -0.60 0.00 0.00 0.00 174.94 174.47 1x5j s ARG 26 N 0.19 3.18 -0.19 2.79 3.00 0.49 -2.10 118.95 126.31 1x5j s ARG 26 Ca -0.01 -0.81 -0.05 0.00 -1.00 0.00 0.00 55.73 53.86 1x5j s ARG 26 Cb -0.02 -3.49 -0.03 0.00 0.00 0.00 0.00 34.95 31.41 1x5j s ARG 26 CO -0.00 -0.45 -0.00 0.42 0.00 0.00 0.00 175.30 175.26 1x5j s ILE 27 N 1.56 3.96 -0.02 4.11 -1.09 -0.69 -0.07 121.20 128.96 1x5j s ILE 27 Ca 0.03 -0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 1x5j s ILE 27 Cb -0.17 -2.78 0.01 0.00 -1.58 0.00 0.00 42.46 37.93 1x5j s ILE 27 CO 0.05 0.44 -0.03 0.42 -1.23 0.00 0.00 174.94 174.58 1x5j s THR 28 N 0.88 0.35 0.32 2.92 -4.23 -1.15 -0.90 115.64 113.83 1x5j s THR 28 Ca 0.01 -0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.43 1x5j s THR 28 Cb -0.14 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1x5j s THR 28 CO 0.02 0.14 0.13 -1.66 -0.54 0.00 0.00 174.62 172.71 1x5j s TRP 29 N 0.36 1.67 0.11 3.99 -2.14 -1.07 -2.56 118.94 119.30 1x5j s TRP 29 Ca -0.04 -1.28 0.05 0.00 2.66 0.00 0.00 56.10 57.50 1x5j s TRP 29 Cb -0.07 -0.97 -0.04 0.00 -3.10 0.00 0.00 33.47 29.29 1x5j s TRP 29 CO -0.00 -0.39 -0.13 0.00 -2.66 0.00 0.00 176.95 173.77 1x5j s ALA 30 N -3.52 1.34 -0.14 2.67 0.00 0.77 -4.78 121.76 118.11 1x5j s ALA 30 Ca 0.34 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1x5j s ALA 30 Cb 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1x5j s ALA 30 CO 0.16 0.07 -0.11 0.34 0.00 0.00 0.00 175.76 176.21 1x5j s ASP 31 N -2.37 2.54 0.00 0.00 2.15 -1.26 -1.54 116.67 116.19 1x5j s ASP 31 Ca 0.07 -0.44 0.26 0.00 0.43 0.00 0.00 52.55 52.86 1x5j s ASP 31 Cb -0.05 -1.05 1.23 0.00 -0.30 0.00 0.00 42.92 42.75 1x5j s ASP 31 CO 0.02 -0.09 1.86 0.59 -0.17 0.00 0.00 175.17 177.38 1x5j n ASN 32 N 4.83 0.00 0.04 -0.34 3.02 -1.26 -3.31 115.26 118.24 1x5j n ASN 32 Ca -0.15 0.14 -0.20 0.00 -0.03 0.00 0.00 54.58 54.34 1x5j n ASN 32 Cb 0.50 -0.37 -0.12 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.72 -2.65 6.41 0.87 -1.98 -3.46 113.55 113.46 1x5j h SER 33 Ca 0.00 -0.79 -0.60 0.00 -1.23 0.00 0.00 61.79 59.17 1x5j h SER 33 Cb 0.32 -0.22 0.14 0.00 -0.44 0.00 0.00 62.40 62.20 1x5j h SER 33 CO 0.00 1.43 -0.15 0.18 -0.53 0.00 0.00 176.83 177.76 1x5j n LEU 34 N -4.00 1.18 0.00 2.23 4.77 -1.21 -4.98 117.00 114.99 1x5j n LEU 34 Ca -0.12 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.83 1x5j n LEU 34 Cb 0.82 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1x5j n LEU 34 CO 0.52 -2.27 0.00 -0.81 -1.33 0.00 0.00 177.39 173.51 1x5j n PRO 35 N 0.35 -0.62 -0.10 3.23 -0.04 -1.26 -4.90 135.00 131.67 1x5j n PRO 35 Ca 0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1x5j n PRO 35 Cb 0.39 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.83 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 -1.21 -0.10 -1.39 0.54 4.81 -1.26 -4.45 118.16 115.10 1x5j n LYS 36 Ca 0.00 0.89 -0.29 0.00 -0.87 0.00 0.00 58.31 58.04 1x5j n LYS 36 Cb 0.00 -1.33 0.14 0.00 0.02 0.00 0.00 35.03 33.86 1x5j n LYS 36 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1x5j s HIS 37 N -3.73 2.43 -0.81 5.64 -3.43 -1.26 -4.97 115.29 109.16 1x5j s HIS 37 Ca -0.03 1.00 -0.00 0.00 -0.80 0.00 0.00 55.06 55.23 1x5j s HIS 37 Cb 0.03 -3.27 0.35 0.00 -1.43 0.00 0.00 32.58 28.26 1x5j s HIS 37 CO 0.15 -2.41 1.77 0.94 -2.00 0.00 0.00 174.74 173.19 1x5j n GLN 38 N -3.83 3.51 -4.69 -0.38 -0.06 -1.26 -4.91 117.38 105.75 1x5j n GLN 38 Ca 0.06 -4.03 -0.33 0.00 -2.00 0.00 0.00 57.00 50.70 1x5j n GLN 38 Cb 0.58 -2.31 -0.15 0.00 -4.06 0.00 0.00 30.24 24.29 1x5j n GLN 38 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1x5j s LYS 39 N -4.01 3.23 -0.44 3.69 2.47 -1.26 -5.06 119.74 118.35 1x5j s LYS 39 Ca 0.48 -0.76 -0.26 0.00 -1.56 0.00 0.00 55.97 53.88 1x5j s LYS 39 Cb 0.37 -2.58 0.02 0.00 -1.46 0.00 0.00 37.83 34.19 1x5j s LYS 39 CO -0.30 0.08 0.95 0.42 0.16 0.00 0.00 175.35 176.66 1x5j s ILE 40 N 0.64 4.47 -0.25 5.43 1.01 -1.26 -4.83 121.20 126.40 1x5j s ILE 40 Ca -0.09 0.89 0.09 0.00 0.00 0.00 0.00 60.65 61.55 1x5j s ILE 40 Cb -0.16 -4.43 0.45 0.00 0.01 0.00 0.00 42.46 38.33 1x5j s ILE 40 CO 0.03 -0.79 1.20 0.35 0.00 0.00 0.00 174.94 175.72 1x5j n THR 41 N 6.37 2.34 -4.28 2.92 -2.24 -1.26 -5.03 114.28 113.10 1x5j n THR 41 Ca 0.07 -3.77 -0.19 0.00 -2.27 0.00 0.00 64.05 57.88 1x5j n THR 41 Cb 0.48 -0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.45 2.29 -1.38 3.42 2.15 -1.26 -5.05 116.67 113.40 1x5j s ASP 42 Ca 0.45 -0.85 -0.14 0.00 0.43 0.00 0.00 52.55 52.44 1x5j s ASP 42 Cb 0.39 -0.10 -0.02 0.00 -0.30 0.00 0.00 42.92 42.89 1x5j s ASP 42 CO -0.01 -0.11 2.35 -0.24 -0.17 0.00 0.00 175.17 176.99 1x5j n SER 43 N 0.35 4.86 -4.31 -0.34 2.88 -1.26 -4.87 113.62 110.93 1x5j n SER 43 Ca -0.14 -2.73 -0.16 0.00 -1.33 0.00 0.00 58.87 54.51 1x5j n SER 43 Cb 0.57 -1.54 -0.10 0.00 -0.75 0.00 0.00 64.21 62.40 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 3.21 1.30 -0.01 -1.46 1.70 -1.26 -4.67 118.95 117.76 1x5j s ARG 44 Ca 0.53 -1.66 -0.05 0.00 -0.47 0.00 0.00 55.73 54.08 1x5j s ARG 44 Cb 0.15 -0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.02 1x5j s ARG 44 CO -0.05 -0.13 0.11 1.52 -1.08 0.00 0.00 175.30 175.67 1x5j s TYR 45 N -3.51 0.02 -0.18 5.89 1.13 -1.24 -4.87 117.35 114.60 1x5j s TYR 45 Ca 0.28 -0.05 -0.08 0.00 -1.41 0.00 0.00 57.07 55.82 1x5j s TYR 45 Cb 0.06 -0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 1x5j s TYR 45 CO 0.08 -0.21 0.09 0.71 -2.51 0.00 0.00 175.55 173.72 1x5j s TYR 46 N -0.96 3.35 -0.19 -3.49 2.02 -1.21 -3.60 117.35 113.27 1x5j s TYR 46 Ca -0.10 0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.81 1x5j s TYR 46 Cb -0.06 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 1x5j s TYR 46 CO 0.01 0.29 -0.12 0.99 -1.57 0.00 0.00 175.55 175.15 1x5j s THR 47 N 0.15 2.80 -0.14 -0.71 2.01 -1.09 -2.22 115.64 116.44 1x5j s THR 47 Ca 0.07 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.32 1x5j s THR 47 Cb -0.12 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1x5j s THR 47 CO -0.00 0.48 0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 1x5j s VAL 48 N 1.23 4.67 0.26 3.82 1.01 -1.20 -2.64 120.40 127.55 1x5j s VAL 48 Ca 0.02 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1x5j s VAL 48 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1x5j s VAL 48 CO -0.05 0.54 0.00 0.00 0.00 0.00 0.00 175.10 175.58 1x5j s ARG 49 N -0.25 2.31 -0.28 2.72 1.70 -1.09 -0.81 118.95 123.25 1x5j s ARG 49 Ca 0.07 -1.40 -0.24 0.00 -0.47 0.00 0.00 55.73 53.70 1x5j s ARG 49 Cb -0.12 -2.18 0.13 0.00 -0.57 0.00 0.00 34.95 32.21 1x5j s ARG 49 CO 0.02 0.37 1.06 1.67 -1.08 0.00 0.00 175.30 177.33 1x5j s TRP 50 N -2.30 -0.46 0.34 5.89 -2.14 -1.00 -2.72 118.94 116.56 1x5j s TRP 50 Ca 0.31 1.08 -0.04 0.00 2.66 0.00 0.00 56.10 60.11 1x5j s TRP 50 Cb -0.07 0.37 0.00 0.00 -3.10 0.00 0.00 33.47 30.68 1x5j s TRP 50 CO 0.20 -0.22 0.49 -1.59 -2.66 0.00 0.00 176.95 173.16 1x5j s LYS 51 N 0.36 1.90 -0.08 3.25 0.00 -1.25 -3.34 119.74 120.58 1x5j s LYS 51 Ca 0.02 -1.71 -0.15 0.00 0.00 0.00 0.00 55.97 54.13 1x5j s LYS 51 Cb -0.05 0.45 -0.05 0.00 0.00 0.00 0.00 37.83 38.18 1x5j s LYS 51 CO -0.08 -0.79 0.38 0.95 0.00 0.00 0.00 175.35 175.80 1x5j s THR 52 N -3.09 5.17 0.29 3.79 -4.23 -1.26 -2.35 115.64 113.96 1x5j s THR 52 Ca 0.29 0.75 0.02 0.00 -1.18 0.00 0.00 61.69 61.58 1x5j s THR 52 Cb -0.01 -3.70 0.09 0.00 1.34 0.00 0.00 72.50 70.23 1x5j s THR 52 CO 0.19 0.47 1.76 -1.13 -0.54 0.00 0.00 174.62 175.37 1x5j h ASN 53 N 5.75 0.51 -3.29 3.99 -0.00 -1.90 -3.42 115.58 117.20 1x5j h ASN 53 Ca -0.46 -0.15 -0.53 0.00 -0.00 0.00 0.00 56.30 55.16 1x5j h ASN 53 Cb 1.20 -0.14 -0.35 0.00 -0.00 0.00 0.00 38.32 39.03 1x5j h ASN 53 CO 0.68 0.70 -0.81 -0.63 -0.00 0.00 0.00 177.43 177.37 1x5j s ILE 54 N -4.65 1.15 1.15 2.57 1.01 -1.26 -2.95 121.20 118.22 1x5j s ILE 54 Ca -0.07 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 1x5j s ILE 54 Cb 0.14 -1.10 0.26 0.00 0.01 0.00 0.00 42.46 41.78 1x5j s ILE 54 CO 0.79 0.37 1.11 -2.16 0.00 0.00 0.00 174.94 175.05 1x5j s PRO 55 N 1.14 -0.81 0.53 2.79 0.04 -1.26 -5.09 135.00 132.34 1x5j s PRO 55 Ca -0.05 0.08 -0.02 0.00 0.04 0.00 0.00 61.00 61.05 1x5j s PRO 55 Cb -0.14 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.77 1x5j s PRO 55 CO -0.02 -3.46 0.79 0.00 0.04 0.00 0.00 177.00 174.34 1x5j s ALA 56 N -3.00 3.57 -1.51 8.56 0.00 -1.15 -4.26 121.76 123.97 1x5j s ALA 56 Ca 0.69 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 1x5j s ALA 56 Cb -0.12 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.68 1x5j s ALA 56 CO 0.56 -0.63 0.44 -1.71 0.00 0.00 0.00 175.76 174.43 1x5j n ASN 57 N -2.34 -5.50 -4.46 0.00 2.85 -1.26 -4.97 115.26 99.58 1x5j n ASN 57 Ca 0.04 -0.22 -0.29 0.00 -0.11 0.00 0.00 54.58 53.99 1x5j n ASN 57 Cb 0.58 -4.50 0.15 0.00 1.24 0.00 0.00 39.78 37.25 1x5j n ASN 57 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1x5j s THR 58 N -3.07 1.99 0.68 -0.44 -4.23 -1.26 -5.02 115.64 104.29 1x5j s THR 58 Ca 0.24 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.58 1x5j s THR 58 Cb -0.11 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.76 1x5j s THR 58 CO 0.30 0.00 1.26 -1.59 -0.54 0.00 0.00 174.62 174.05 1x5j s LYS 59 N -5.73 2.41 -0.20 3.99 0.00 -1.26 -4.99 119.74 113.95 1x5j s LYS 59 Ca 0.69 1.94 -0.02 0.00 0.00 0.00 0.00 55.97 58.58 1x5j s LYS 59 Cb -0.07 -1.84 -0.00 0.00 0.00 0.00 0.00 37.83 35.91 1x5j s LYS 59 CO 0.51 -1.68 -0.09 0.71 0.00 0.00 0.00 175.35 174.81 1x5j s TYR 60 N -1.62 2.90 0.04 1.78 2.02 -1.26 -4.69 117.35 116.52 1x5j s TYR 60 Ca 0.79 -1.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1x5j s TYR 60 Cb -0.34 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 1x5j s TYR 60 CO 0.41 -0.57 0.20 0.15 -1.57 0.00 0.00 175.55 174.18 1x5j s LYS 61 N 1.29 3.44 0.10 -0.62 1.02 -1.21 -4.99 119.74 118.77 1x5j s LYS 61 Ca 0.04 -0.40 0.05 0.00 0.02 0.00 0.00 55.97 55.68 1x5j s LYS 61 Cb -0.14 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1x5j s LYS 61 CO -0.04 0.63 -0.13 0.54 -0.92 0.00 0.00 175.35 175.43 1x5j s ASN 62 N -2.32 1.73 0.30 2.83 2.20 -1.26 -2.37 114.94 116.05 1x5j s ASN 62 Ca 0.32 -0.77 0.06 0.00 -0.94 0.00 0.00 52.86 51.54 1x5j s ASN 62 Cb -0.13 -0.04 -0.06 0.00 -2.00 0.00 0.00 41.25 39.02 1x5j s ASN 62 CO 0.25 -0.17 -0.04 0.00 -2.94 0.00 0.00 177.10 174.20 1x5j s ALA 63 N -2.05 2.42 -0.18 3.54 0.00 0.01 -4.95 121.76 120.54 1x5j s ALA 63 Ca 0.05 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1x5j s ALA 63 Cb -0.05 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.35 1x5j s ALA 63 CO 0.02 -0.10 -0.08 0.54 0.00 0.00 0.00 175.76 176.14 1x5j s ASN 64 N -3.47 3.04 -0.30 0.00 4.22 -1.26 -3.24 114.94 113.93 1x5j s ASN 64 Ca 0.31 -0.74 -0.08 0.00 -2.14 0.00 0.00 52.86 50.21 1x5j s ASN 64 Cb 0.05 -1.06 0.15 0.00 1.28 0.00 0.00 41.25 41.67 1x5j s ASN 64 CO 0.13 -0.16 0.69 0.00 -2.04 0.00 0.00 177.10 175.72 1x5j s ALA 65 N 1.52 -2.25 -0.77 3.54 0.00 -0.94 -5.05 121.76 117.81 1x5j s ALA 65 Ca 0.00 2.13 -0.23 0.00 0.00 0.00 0.00 51.96 53.87 1x5j s ALA 65 Cb -0.15 -1.95 0.07 0.00 0.00 0.00 0.00 23.12 21.08 1x5j s ALA 65 CO -0.08 -1.07 1.13 0.95 0.00 0.00 0.00 175.76 176.69 1x5j s THR 66 N 2.84 4.19 0.01 0.00 -4.23 -1.26 -3.30 115.64 113.89 1x5j s THR 66 Ca 0.02 -0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 59.80 1x5j s THR 66 Cb -0.12 -4.81 0.11 0.00 1.34 0.00 0.00 72.50 69.02 1x5j s THR 66 CO -0.19 -1.63 1.26 0.28 -0.54 0.00 0.00 174.62 173.80 1x5j s THR 67 N 4.36 0.00 -0.71 3.99 -1.32 -1.26 -4.97 115.64 115.72 1x5j s THR 67 Ca 0.30 -0.25 0.11 0.00 -1.21 0.00 0.00 61.69 60.64 1x5j s THR 67 Cb -0.10 -2.40 0.55 0.00 -1.51 0.00 0.00 72.50 69.04 1x5j s THR 67 CO 0.05 0.00 1.37 0.18 -2.21 0.00 0.00 174.62 174.01 1x5j n LEU 68 N -0.65 4.06 -3.86 9.08 4.77 -1.26 -4.85 117.00 124.29 1x5j n LEU 68 Ca -0.04 -2.05 -0.08 0.00 -0.03 0.00 0.00 56.01 53.81 1x5j n LEU 68 Cb 0.61 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1x5j n LEU 68 CO 0.14 0.54 0.41 -0.44 -1.33 0.00 0.00 177.39 176.71 1x5j s SER 69 N -0.61 -0.25 -0.29 -1.43 0.01 -1.26 -2.59 113.70 107.28 1x5j s SER 69 Ca 0.37 -0.63 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 1x5j s SER 69 Cb 0.27 0.69 0.13 0.00 0.21 0.00 0.00 66.02 67.33 1x5j s SER 69 CO 0.13 -1.29 0.91 -0.47 0.41 0.00 0.00 173.24 172.94 1x5j s TYR 70 N -3.93 -0.69 -0.41 2.43 5.04 -0.08 -4.97 117.35 114.74 1x5j s TYR 70 Ca 0.12 1.36 -0.15 0.00 -2.44 0.00 0.00 57.07 55.96 1x5j s TYR 70 Cb -0.05 0.41 0.02 0.00 0.35 0.00 0.00 41.96 42.70 1x5j s TYR 70 CO 0.06 -0.34 0.31 -0.51 -1.34 0.00 0.00 175.55 173.73 1x5j s LEU 71 N 1.53 5.05 -0.49 6.97 1.43 -1.26 -1.70 118.68 130.20 1x5j s LEU 71 Ca -0.09 -0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 51.93 1x5j s LEU 71 Cb -0.04 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 44.02 1x5j s LEU 71 CO -0.16 -0.46 0.89 -0.69 0.23 0.00 0.00 176.35 176.16 1x5j s VAL 72 N 1.74 4.49 -0.04 -1.59 1.01 -0.89 -4.97 120.40 120.15 1x5j s VAL 72 Ca 0.06 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.55 1x5j s VAL 72 Cb -0.19 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 1x5j s VAL 72 CO 0.10 -0.91 -0.17 0.42 0.00 0.00 0.00 175.10 174.54 1x5j s THR 73 N 3.69 2.81 0.00 3.92 -4.23 -1.26 -2.57 115.64 118.00 1x5j s THR 73 Ca 0.32 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1x5j s THR 73 Cb -0.12 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1x5j s THR 73 CO 0.22 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.50 1x5j n GLY 74 N 2.31 0.65 3.80 3.99 0.00 -1.12 -5.07 105.19 109.75 1x5j n GLY 74 Ca -0.17 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 2.30 -0.09 0.99 1.43 -1.25 -5.12 118.68 116.94 1x5j s LEU 75 Ca 0.00 -1.62 -0.01 0.00 -1.03 0.00 0.00 54.13 51.47 1x5j s LEU 75 Cb 0.00 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 1x5j s LEU 75 CO 0.00 -0.94 -0.04 -0.75 0.23 0.00 0.00 176.35 174.85 1x5j s LYS 76 N -3.96 2.98 0.59 1.70 2.20 -1.26 -4.70 119.74 117.29 1x5j s LYS 76 Ca 0.07 -0.49 -0.18 0.00 -0.36 0.00 0.00 55.97 55.02 1x5j s LYS 76 Cb 0.00 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 1x5j s LYS 76 CO 0.04 0.61 1.12 -1.25 -0.36 0.00 0.00 175.35 175.52 1x5j s PRO 77 N -0.65 3.12 -1.39 4.03 0.04 -1.24 -3.64 135.00 135.27 1x5j s PRO 77 Ca 0.10 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1x5j s PRO 77 Cb -0.12 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.47 1x5j s PRO 77 CO 0.02 -1.02 0.81 -1.71 0.04 0.00 0.00 177.00 175.14 1x5j n ASN 78 N -1.77 -2.58 -3.81 6.66 2.85 -1.24 -4.87 115.26 110.49 1x5j n ASN 78 Ca 0.11 -0.80 -0.12 0.00 -0.11 0.00 0.00 54.58 53.66 1x5j n ASN 78 Cb 0.51 -4.01 -0.12 0.00 1.24 0.00 0.00 39.78 37.40 1x5j n ASN 78 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1x5j s THR 79 N -3.53 -0.00 -0.02 -0.44 2.01 -1.24 -5.04 115.64 107.38 1x5j s THR 79 Ca 0.25 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 1x5j s THR 79 Cb -0.13 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1x5j s THR 79 CO 0.82 0.00 0.88 -0.22 -0.69 0.00 0.00 174.62 175.41 1x5j s LEU 80 N 0.10 4.36 0.16 4.42 2.96 -1.26 -3.94 118.68 125.48 1x5j s LEU 80 Ca -0.00 1.50 0.07 0.00 -0.22 0.00 0.00 54.13 55.48 1x5j s LEU 80 Cb -0.01 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 1x5j s LEU 80 CO 0.00 -0.20 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.38 1x5j s TYR 81 N 0.91 1.55 0.10 5.38 2.02 -1.15 -2.78 117.35 123.38 1x5j s TYR 81 Ca 0.47 -0.59 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 1x5j s TYR 81 Cb -0.20 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 1x5j s TYR 81 CO 0.25 0.24 0.05 -1.21 -1.57 0.00 0.00 175.55 173.31 1x5j s GLU 82 N -3.27 2.72 -0.16 -0.62 8.01 -0.99 -2.71 118.70 121.68 1x5j s GLU 82 Ca 0.17 -0.80 -0.06 0.00 0.01 0.00 0.00 54.97 54.29 1x5j s GLU 82 Cb -0.02 -2.62 0.07 0.00 -4.31 0.00 0.00 34.13 27.26 1x5j s GLU 82 CO 0.05 0.54 0.33 -0.06 0.01 0.00 0.00 175.26 176.12 1x5j s PHE 83 N -1.43 -0.56 0.10 1.61 0.08 -0.92 -3.84 117.98 113.02 1x5j s PHE 83 Ca 0.28 1.18 0.01 0.00 0.12 0.00 0.00 56.93 58.52 1x5j s PHE 83 Cb -0.11 0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.41 1x5j s PHE 83 CO 0.21 -0.39 -0.04 0.45 -0.10 0.00 0.00 175.22 175.34 1x5j s SER 84 N 2.33 0.98 -0.04 1.36 0.15 -1.10 -1.25 113.70 116.13 1x5j s SER 84 Ca -0.01 -1.04 0.01 0.00 0.70 0.00 0.00 55.95 55.61 1x5j s SER 84 Cb -0.12 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 1x5j s SER 84 CO -0.10 -0.52 -0.06 -0.69 1.20 0.00 0.00 173.24 173.07 1x5j s VAL 85 N -3.71 0.62 0.12 4.45 1.01 -1.26 -2.66 120.40 118.97 1x5j s VAL 85 Ca 0.13 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1x5j s VAL 85 Cb 0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1x5j s VAL 85 CO -0.04 0.23 -0.13 0.00 0.00 0.00 0.00 175.10 175.16 1x5j s MET 86 N 0.70 1.00 -0.02 2.72 0.23 -1.08 -3.09 119.30 119.76 1x5j s MET 86 Ca -0.10 -1.24 0.07 0.00 -1.03 0.00 0.00 55.69 53.40 1x5j s MET 86 Cb -0.13 -0.84 -0.02 0.00 -1.53 0.00 0.00 34.83 32.32 1x5j s MET 86 CO 0.01 0.15 -0.24 0.54 -2.03 0.00 0.00 175.02 173.45 1x5j s VAL 87 N -2.23 1.92 -0.04 5.16 0.11 -1.26 -2.67 120.40 121.39 1x5j s VAL 87 Ca 0.09 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 1x5j s VAL 87 Cb -0.04 -1.60 0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1x5j s VAL 87 CO 0.02 0.54 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.43 1x5j s THR 88 N -0.57 0.35 -0.52 5.04 2.01 -1.24 -2.10 115.64 118.62 1x5j s THR 88 Ca 0.09 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.10 1x5j s THR 88 Cb -0.09 -0.41 0.50 0.00 0.01 0.00 0.00 72.50 72.50 1x5j s THR 88 CO -0.01 0.18 1.80 0.29 -0.69 0.00 0.00 174.62 176.20 1x5j n LYS 89 N 4.11 2.67 0.00 4.92 5.02 -0.74 -3.67 118.16 130.46 1x5j n LYS 89 Ca -0.25 -3.38 0.00 0.00 -2.02 0.00 0.00 58.31 52.66 1x5j n LYS 89 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1x5j n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x5j n GLY 90 N -0.95 2.04 0.10 0.72 0.00 -1.26 -4.24 105.19 101.60 1x5j n GLY 90 Ca 0.56 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1x5j n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x5j h ARG 91 N 0.00 0.11 -6.62 1.61 1.12 -2.00 -3.47 114.38 105.13 1x5j h ARG 91 Ca 0.00 -0.19 -0.46 0.00 -1.11 0.00 0.00 59.98 58.22 1x5j h ARG 91 Cb 0.00 0.07 0.02 0.00 -0.01 0.00 0.00 29.97 30.05 1x5j h ARG 91 CO 0.00 0.80 -0.14 1.03 -3.11 0.00 0.00 179.97 178.55 1x5j s ARG 92 N -2.58 3.15 0.17 0.20 0.52 -1.26 -5.11 118.95 114.03 1x5j s ARG 92 Ca -0.11 -0.52 -0.24 0.00 -0.52 0.00 0.00 55.73 54.34 1x5j s ARG 92 Cb 0.07 -2.61 0.06 0.00 0.52 0.00 0.00 34.95 32.99 1x5j s ARG 92 CO 0.81 -0.15 0.89 -1.54 0.02 0.00 0.00 175.30 175.32 1x5j s SER 93 N -4.18 -0.22 0.15 0.23 1.04 -1.26 -1.80 113.70 107.66 1x5j s SER 93 Ca 0.46 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.57 1x5j s SER 93 Cb -0.10 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1x5j s SER 93 CO 0.37 -0.98 -0.18 -0.94 0.98 0.00 0.00 173.24 172.49 1x5j s SER 94 N -2.90 2.57 1.19 7.02 1.04 -0.89 -0.06 113.70 121.67 1x5j s SER 94 Ca 0.11 -0.84 -0.14 0.00 0.48 0.00 0.00 55.95 55.56 1x5j s SER 94 Cb -0.02 -0.14 0.29 0.00 0.10 0.00 0.00 66.02 66.25 1x5j s SER 94 CO 0.02 -0.04 1.02 0.28 0.98 0.00 0.00 173.24 175.50 1x5j s THR 95 N -2.00 1.94 -0.52 2.02 -1.32 -1.26 -4.56 115.64 109.94 1x5j s THR 95 Ca 0.14 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.34 1x5j s THR 95 Cb -0.06 -2.10 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1x5j s THR 95 CO 0.06 0.00 1.58 0.26 -2.21 0.00 0.00 174.62 174.30 1x5j s TRP 96 N -2.49 2.08 1.01 9.09 0.52 -1.26 -4.61 118.94 123.28 1x5j s TRP 96 Ca 0.68 0.58 -0.20 0.00 0.02 0.00 0.00 56.10 57.18 1x5j s TRP 96 Cb -0.24 -4.28 -0.09 0.00 -1.15 0.00 0.00 33.47 27.71 1x5j s TRP 96 CO 0.64 -2.22 -0.70 -1.13 0.02 0.00 0.00 176.95 173.56 1x5j n SER 97 N 10.33 -3.86 -4.21 2.95 3.41 -1.18 -4.68 113.62 116.38 1x5j n SER 97 Ca 0.16 0.10 -0.50 0.00 -0.26 0.00 0.00 58.87 58.37 1x5j n SER 97 Cb 0.49 -0.79 -0.05 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 1.04 0.00 -2.66 4.33 0.00 -1.26 -4.62 117.12 113.94 1x5j n MET 98 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 1x5j n MET 98 Cb 0.63 -1.17 -0.03 0.00 0.00 0.00 0.00 33.22 32.65 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 -0.50 4.25 -0.29 3.17 2.01 -1.26 -4.70 115.64 118.32 1x5j s THR 99 Ca 0.73 1.00 -0.24 0.00 0.31 0.00 0.00 61.69 63.49 1x5j s THR 99 Cb -1.03 -4.58 -0.00 0.00 0.01 0.00 0.00 72.50 66.89 1x5j s THR 99 CO 0.53 -1.03 0.80 0.00 -0.69 0.00 0.00 174.62 174.24 1x5j s ALA 100 N 4.34 3.57 -0.16 7.40 0.00 -0.38 -4.88 121.76 131.64 1x5j s ALA 100 Ca 0.44 -0.33 -0.19 0.00 0.00 0.00 0.00 51.96 51.88 1x5j s ALA 100 Cb -0.08 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1x5j s ALA 100 CO 0.29 -1.12 0.52 -1.01 0.00 0.00 0.00 175.76 174.45 1x5j s HIS 101 N 2.93 3.44 -0.05 0.00 3.76 -1.26 -2.15 115.29 121.95 1x5j s HIS 101 Ca 0.33 0.86 0.02 0.00 -0.15 0.00 0.00 55.06 56.13 1x5j s HIS 101 Cb -0.14 -2.65 0.01 0.00 1.11 0.00 0.00 32.58 30.91 1x5j s HIS 101 CO 0.11 0.01 -0.11 0.20 -0.85 0.00 0.00 174.74 174.09 1x5j s GLY 102 N 0.93 0.72 -0.26 -2.22 0.00 -1.10 -4.95 107.32 100.44 1x5j s GLY 102 Ca 0.26 -0.38 -0.07 0.00 0.00 0.00 0.00 44.72 44.53 1x5j s GLY 102 CO 0.10 0.08 0.06 -1.59 0.00 0.00 0.00 173.10 171.75 1x5j s THR 103 N 0.55 4.05 0.98 0.90 2.01 -1.26 -2.94 115.64 119.93 1x5j s THR 103 Ca -0.11 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 1x5j s THR 103 Cb -0.14 -2.97 0.18 0.00 0.01 0.00 0.00 72.50 69.58 1x5j s THR 103 CO 0.03 0.24 1.08 0.42 -0.69 0.00 0.00 174.62 175.70 1x5j s THR 104 N 1.55 2.33 0.47 -0.82 -4.23 -1.25 -4.92 115.64 108.77 1x5j s THR 104 Ca 0.05 0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.47 1x5j s THR 104 Cb -0.16 -2.45 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 1x5j s THR 104 CO 0.02 -0.14 1.00 -0.36 -0.54 0.00 0.00 174.62 174.61 1x5j s PHE 105 N -2.80 3.14 -0.11 3.99 0.08 -1.25 -3.87 117.98 117.15 1x5j s PHE 105 Ca 0.65 1.58 -0.29 0.00 0.12 0.00 0.00 56.93 58.99 1x5j s PHE 105 Cb -0.20 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 1x5j s PHE 105 CO 0.59 -0.56 1.50 -1.21 -0.10 0.00 0.00 175.22 175.44 1x5j s GLU 106 N -3.33 4.17 -0.22 0.44 2.02 -1.26 -3.66 118.70 116.86 1x5j s GLU 106 Ca 0.65 1.95 -0.16 0.00 0.02 0.00 0.00 54.97 57.42 1x5j s GLU 106 Cb -0.13 -3.91 -0.10 0.00 0.10 0.00 0.00 34.13 30.09 1x5j s GLU 106 CO 0.19 -0.83 -0.27 -0.11 0.02 0.00 0.00 175.26 174.26 1x5j n LEU 107 N 7.05 1.93 -3.72 1.80 7.94 -1.26 -4.99 117.00 125.75 1x5j n LEU 107 Ca 0.16 0.37 -0.34 0.00 -1.11 0.00 0.00 56.01 55.09 1x5j n LEU 107 Cb 0.44 -0.81 0.01 0.00 0.53 0.00 0.00 43.42 43.58 1x5j n LEU 107 CO 0.60 0.14 -0.55 -0.24 -1.11 0.00 0.00 177.39 176.24 1x5j n SER 108 N -4.38 -3.15 0.00 1.96 2.88 -1.26 -4.98 113.62 104.68 1x5j n SER 108 Ca -0.33 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1x5j n SER 108 Cb 0.68 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1x5j n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5j n GLY 109 N 2.18 3.21 3.56 0.46 0.00 -1.26 -4.99 105.19 108.34 1x5j n GLY 109 Ca 0.07 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.80 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 2.63 2.55 0.48 1.61 0.04 -1.26 -4.93 135.00 136.12 1x5j s PRO 110 Ca 0.00 -0.34 0.04 0.00 0.04 0.00 0.00 61.00 60.74 1x5j s PRO 110 Cb 0.00 -5.07 -0.03 0.00 0.04 0.00 0.00 34.50 29.44 1x5j s PRO 110 CO 0.00 -3.41 0.05 -1.54 0.04 0.00 0.00 177.00 172.14 1x5j s SER 111 N 7.95 4.12 0.16 6.66 1.04 -1.26 -5.12 113.70 127.25 1x5j s SER 111 Ca 0.70 -1.49 -0.29 0.00 0.48 0.00 0.00 55.95 55.34 1x5j s SER 111 Cb -0.06 0.16 -0.07 0.00 0.10 0.00 0.00 66.02 66.15 1x5j s SER 111 CO 0.00 -0.73 0.93 -0.44 0.98 0.00 0.00 173.24 173.98 1x5j s SER 112 N -3.86 7.53 0.00 7.02 0.01 -1.26 -5.28 113.70 117.86 1x5j s SER 112 Ca 0.19 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.28 1x5j s SER 112 Cb 0.04 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1x5j s SER 112 CO 0.10 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.41