#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h93 n ASN 2 N 0.00 -0.67 -0.18 4.04 0.23 -1.26 -4.83 115.26 112.59 3h93 n ASN 2 Ca 0.00 -1.88 0.15 0.00 -0.53 0.00 0.00 54.58 52.32 3h93 n ASN 2 Cb 0.00 1.24 0.49 0.00 -2.08 0.00 0.00 39.78 39.44 3h93 n ASN 2 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h93 h ALA 3 N 1.74 2.10 -0.01 -2.53 0.00 -1.98 0.18 119.26 118.74 3h93 h ALA 3 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3h93 h ALA 3 Cb 0.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h93 h ALA 3 CO 0.18 -0.31 0.01 -0.44 0.00 0.00 0.00 179.25 178.69 3h93 h ASP 4 N 0.44 0.00 1.05 0.00 3.32 -2.06 -2.04 116.42 117.12 3h93 h ASP 4 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3h93 h ASP 4 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3h93 h ASP 4 CO -0.13 0.00 -0.20 0.47 -1.72 0.00 0.00 179.24 177.66 3h93 n ASP 5 N -4.06 0.48 -4.26 6.45 8.00 0.62 -4.92 116.55 118.86 3h93 n ASP 5 Ca -0.03 0.33 -0.15 0.00 0.71 0.00 0.00 54.79 55.66 3h93 n ASP 5 Cb 0.10 -0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 40.75 3h93 n ASP 5 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3h93 s TYR 6 N -3.06 1.32 -0.18 1.24 2.02 -0.77 -5.02 117.35 112.89 3h93 s TYR 6 Ca 0.11 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 3h93 s TYR 6 Cb 0.16 -0.67 0.03 0.00 -0.40 0.00 0.00 41.96 41.08 3h93 s TYR 6 CO 0.62 0.12 -0.16 0.99 -1.57 0.00 0.00 175.55 175.54 3h93 s THR 7 N -3.12 1.88 0.10 -0.71 2.01 -1.26 -4.94 115.64 109.60 3h93 s THR 7 Ca 0.16 -0.94 -0.33 0.00 0.31 0.00 0.00 61.69 60.89 3h93 s THR 7 Cb 0.01 -1.78 -0.13 0.00 0.01 0.00 0.00 72.50 70.62 3h93 s THR 7 CO 0.02 0.41 1.71 0.00 -0.69 0.00 0.00 174.62 176.07 3h93 n ALA 8 N 4.65 1.57 0.00 7.40 0.00 -1.26 -0.69 120.51 132.18 3h93 n ALA 8 Ca -0.18 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3h93 n ALA 8 Cb 0.49 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3h93 n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h93 n GLY 9 N 3.86 3.19 0.00 0.00 0.00 0.16 -4.94 105.19 107.45 3h93 n GLY 9 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3h93 n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h93 n LYS 10 N -1.83 0.00 0.22 1.61 4.81 0.13 -4.71 118.16 118.38 3h93 n LYS 10 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 3h93 n LYS 10 Cb 0.00 -0.05 0.49 0.00 0.02 0.00 0.00 35.03 35.49 3h93 n LYS 10 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3h93 h GLU 11 N 0.00 0.00 -3.92 1.64 3.07 -1.71 -3.44 114.58 110.22 3h93 h GLU 11 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 3h93 h GLU 11 Cb 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.76 3h93 h GLU 11 CO 0.00 0.26 -0.49 1.52 -1.40 0.00 0.00 179.01 178.90 3h93 s TYR 12 N -4.21 0.26 -0.06 4.33 1.13 -1.26 -4.11 117.35 113.43 3h93 s TYR 12 Ca -0.03 -0.69 0.05 0.00 -1.41 0.00 0.00 57.07 54.99 3h93 s TYR 12 Cb 0.14 -0.17 -0.01 0.00 -1.10 0.00 0.00 41.96 40.81 3h93 s TYR 12 CO 0.67 -0.46 -0.22 0.08 -2.51 0.00 0.00 175.55 173.12 3h93 s VAL 13 N -3.56 2.36 -0.16 -3.49 1.01 0.05 0.37 120.40 116.98 3h93 s VAL 13 Ca 0.03 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3h93 s VAL 13 Cb 0.04 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3h93 s VAL 13 CO -0.09 0.57 0.35 -0.70 0.00 0.00 0.00 175.10 175.23 3h93 s GLU 14 N -0.24 4.25 0.16 2.72 2.12 -1.26 -0.76 118.70 125.69 3h93 s GLU 14 Ca -0.01 0.18 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 3h93 s GLU 14 Cb -0.13 -3.46 -0.07 0.00 0.26 0.00 0.00 34.13 30.73 3h93 s GLU 14 CO 0.03 0.15 1.07 -0.51 -0.54 0.00 0.00 175.26 175.46 3h93 s LEU 15 N 0.73 4.49 0.40 2.70 1.43 0.65 -4.94 118.68 124.13 3h93 s LEU 15 Ca 0.19 2.02 0.20 0.00 -1.03 0.00 0.00 54.13 55.51 3h93 s LEU 15 Cb -0.14 -3.60 0.76 0.00 0.03 0.00 0.00 46.19 43.24 3h93 s LEU 15 CO 0.06 -0.19 1.77 0.28 0.23 0.00 0.00 176.35 178.50 3h93 h SER 16 N 5.24 0.00 -4.01 2.29 0.02 -1.97 -3.35 113.55 111.77 3h93 h SER 16 Ca -0.44 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.88 3h93 h SER 16 Cb 1.21 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.34 3h93 h SER 16 CO 0.72 0.33 -0.64 -0.44 -1.14 0.00 0.00 176.83 175.66 3h93 s SER 17 N -6.38 4.24 0.35 3.07 0.01 -1.26 -5.09 113.70 108.64 3h93 s SER 17 Ca 0.00 -3.09 -0.28 0.00 1.31 0.00 0.00 55.95 53.90 3h93 s SER 17 Cb 0.11 -1.53 -0.12 0.00 0.21 0.00 0.00 66.02 64.69 3h93 s SER 17 CO 0.67 -0.21 1.25 -2.65 0.41 0.00 0.00 173.24 172.71 3h93 n PRO 18 N 2.99 2.00 -3.29 12.44 -0.02 -1.26 -4.94 135.00 142.91 3h93 n PRO 18 Ca 0.08 0.70 -0.38 0.00 -2.02 0.00 0.00 63.50 61.88 3h93 n PRO 18 Cb 0.33 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 3h93 n PRO 18 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h93 s VAL 19 N -1.11 5.13 0.35 -1.45 1.01 0.16 -5.02 120.40 119.46 3h93 s VAL 19 Ca 0.57 1.02 -0.28 0.00 0.00 0.00 0.00 61.98 63.29 3h93 s VAL 19 Cb -0.57 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 31.84 3h93 s VAL 19 CO 0.61 0.35 1.29 -2.65 0.00 0.00 0.00 175.10 174.71 3h93 n PRO 20 N 3.41 2.12 -2.51 2.72 -0.02 -1.26 -4.30 135.00 135.16 3h93 n PRO 20 Ca -0.07 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 3h93 n PRO 20 Cb 0.52 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3h93 n PRO 20 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3h93 s VAL 21 N -1.10 4.60 0.25 -1.45 -7.23 -1.26 -4.93 120.40 109.28 3h93 s VAL 21 Ca 0.56 1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 61.76 3h93 s VAL 21 Cb -0.56 -3.73 0.07 0.00 0.56 0.00 0.00 36.38 32.73 3h93 s VAL 21 CO 0.62 -0.65 1.71 -1.28 -0.31 0.00 0.00 175.10 175.19 3h93 h SER 22 N 0.99 0.68 -3.65 4.85 0.87 -1.96 -3.38 113.55 111.95 3h93 h SER 22 Ca -0.47 -0.21 -0.67 0.00 -1.23 0.00 0.00 61.79 59.22 3h93 h SER 22 Cb 1.19 -0.18 -0.39 0.00 -0.44 0.00 0.00 62.40 62.57 3h93 h SER 22 CO 0.62 0.85 -0.69 -1.58 -0.53 0.00 0.00 176.83 175.50 3h93 s GLN 23 N -4.71 1.58 0.38 2.24 2.00 -1.26 -5.10 119.66 114.80 3h93 s GLN 23 Ca -0.09 -1.87 -0.26 0.00 -2.00 0.00 0.00 55.36 51.15 3h93 s GLN 23 Cb 0.14 -3.28 -0.12 0.00 0.80 0.00 0.00 33.01 30.55 3h93 s GLN 23 CO 0.81 -0.97 1.09 -2.30 -0.50 0.00 0.00 175.29 173.42 3h93 n PRO 24 N 4.32 1.55 -0.17 1.67 -0.02 -1.26 -2.51 135.00 138.58 3h93 n PRO 24 Ca 0.03 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3h93 n PRO 24 Cb 0.42 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3h93 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h93 n GLY 25 N 1.08 1.27 3.35 -1.23 0.00 -1.26 -5.03 105.19 103.37 3h93 n GLY 25 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3h93 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h93 s LYS 26 N -0.49 1.30 -0.36 1.61 1.02 -1.05 -4.99 119.74 116.78 3h93 s LYS 26 Ca 0.00 -1.35 -0.29 0.00 0.02 0.00 0.00 55.97 54.35 3h93 s LYS 26 Cb 0.00 -1.53 0.02 0.00 -0.52 0.00 0.00 37.83 35.79 3h93 s LYS 26 CO 0.00 0.34 1.17 0.42 -0.92 0.00 0.00 175.35 176.36 3h93 s ILE 27 N -1.58 4.29 0.31 2.17 1.01 0.63 -4.80 121.20 123.23 3h93 s ILE 27 Ca 0.14 1.43 -0.27 0.00 0.00 0.00 0.00 60.65 61.95 3h93 s ILE 27 Cb -0.08 -4.39 -0.09 0.00 0.01 0.00 0.00 42.46 37.91 3h93 s ILE 27 CO 0.07 -0.64 1.02 -0.70 0.00 0.00 0.00 174.94 174.68 3h93 s GLU 28 N 4.09 4.54 -0.10 2.79 2.12 -1.26 -0.89 118.70 129.99 3h93 s GLU 28 Ca 0.50 1.56 0.00 0.00 0.36 0.00 0.00 54.97 57.40 3h93 s GLU 28 Cb -0.12 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.34 3h93 s GLU 28 CO 0.23 0.19 -0.08 0.08 -0.54 0.00 0.00 175.26 175.14 3h93 s VAL 29 N -1.39 1.02 -0.09 3.70 1.01 -0.28 0.06 120.40 124.41 3h93 s VAL 29 Ca 0.49 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3h93 s VAL 29 Cb -0.25 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3h93 s VAL 29 CO 0.32 0.36 -0.14 -0.69 0.00 0.00 0.00 175.10 174.94 3h93 s VAL 30 N 1.44 2.99 -0.17 2.92 1.01 -0.08 -0.12 120.40 128.39 3h93 s VAL 30 Ca -0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3h93 s VAL 30 Cb -0.13 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3h93 s VAL 30 CO -0.05 0.55 -0.04 -0.70 0.00 0.00 0.00 175.10 174.86 3h93 s GLU 31 N -0.10 3.58 -0.14 2.72 2.12 -0.50 -1.01 118.70 125.37 3h93 s GLU 31 Ca -0.02 -0.56 -0.05 0.00 0.36 0.00 0.00 54.97 54.70 3h93 s GLU 31 Cb -0.14 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 3h93 s GLU 31 CO 0.04 0.14 0.04 -0.51 -0.54 0.00 0.00 175.26 174.43 3h93 s LEU 32 N 0.63 3.77 0.17 2.70 1.02 0.36 -0.96 118.68 126.37 3h93 s LEU 32 Ca -0.03 0.14 -0.17 0.00 0.02 0.00 0.00 54.13 54.09 3h93 s LEU 32 Cb -0.15 -1.91 0.03 0.00 0.02 0.00 0.00 46.19 44.18 3h93 s LEU 32 CO 0.02 0.28 0.47 0.72 0.02 0.00 0.00 176.35 177.86 3h93 s PHE 33 N -0.25 -0.11 -0.08 0.29 -0.71 -0.90 -1.40 117.98 114.82 3h93 s PHE 33 Ca 0.07 -0.22 0.04 0.00 -1.04 0.00 0.00 56.93 55.79 3h93 s PHE 33 Cb -0.12 0.32 -0.00 0.00 -1.21 0.00 0.00 43.02 42.01 3h93 s PHE 33 CO 0.02 -0.84 -0.22 -0.46 -1.34 0.00 0.00 175.22 172.37 3h93 s TRP 34 N -3.86 2.35 0.44 3.49 -0.00 -1.26 -1.45 118.94 118.65 3h93 s TRP 34 Ca 0.08 -0.87 0.19 0.00 -0.00 0.00 0.00 56.10 55.50 3h93 s TRP 34 Cb 0.00 -1.57 1.14 0.00 -0.00 0.00 0.00 33.47 33.04 3h93 s TRP 34 CO -0.05 -0.33 1.88 1.88 -0.00 0.00 0.00 176.95 180.32 3h93 h TYR 35 N 6.54 0.43 -0.01 5.86 0.05 -1.94 -1.75 116.97 126.15 3h93 h TYR 35 Ca -0.25 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.55 3h93 h TYR 35 Cb 1.21 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.82 3h93 h TYR 35 CO 0.46 0.13 -0.06 0.41 -1.05 0.00 0.00 178.16 178.05 3h93 n GLY 36 N -1.55 -0.70 3.65 3.88 0.00 -1.26 -4.75 105.19 104.46 3h93 n GLY 36 Ca 0.18 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3h93 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h93 h PRO 38 N 7.55 0.61 0.00 0.00 0.11 -1.88 -1.44 132.00 136.95 3h93 h PRO 38 Ca -0.27 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 3h93 h PRO 38 Cb 1.11 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3h93 h PRO 38 CO 0.84 0.44 -0.45 0.45 -0.21 0.00 0.00 178.00 179.07 3h93 h HIS 39 N 0.62 0.00 -0.43 0.65 3.86 -1.92 -1.41 115.15 116.53 3h93 h HIS 39 Ca 0.16 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3h93 h HIS 39 Cb -0.01 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3h93 h HIS 39 CO 0.00 0.45 0.11 0.00 0.86 0.00 0.00 177.93 179.35 3h93 h TYR 41 N 0.56 0.50 -0.04 0.00 3.20 -1.21 -2.06 116.97 117.93 3h93 h TYR 41 Ca 0.14 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3h93 h TYR 41 Cb 0.30 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3h93 h TYR 41 CO 0.02 0.48 -0.15 0.00 -1.64 0.00 0.00 178.16 176.87 3h93 h ALA 42 N 0.96 1.68 0.00 1.82 0.00 -1.09 -2.53 119.26 120.10 3h93 h ALA 42 Ca 0.11 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3h93 h ALA 42 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h93 h ALA 42 CO -0.01 0.24 -0.41 0.35 0.00 0.00 0.00 179.25 179.42 3h93 h PHE 43 N 0.05 0.00 -0.56 0.00 3.57 -0.79 -3.38 116.94 115.83 3h93 h PHE 43 Ca 0.01 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.62 3h93 h PHE 43 Cb 0.30 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.95 3h93 h PHE 43 CO 0.00 0.30 -0.00 1.49 -2.23 0.00 0.00 178.31 177.87 3h93 h GLU 44 N 0.00 0.11 0.00 1.11 4.57 -0.92 0.12 114.58 119.58 3h93 h GLU 44 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3h93 h GLU 44 Cb 1.24 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3h93 h GLU 44 CO 0.04 0.07 0.00 -0.35 -1.18 0.00 0.00 179.01 177.59 3h93 n PRO 45 N -5.26 0.39 -0.11 0.92 -0.04 -1.26 -1.65 135.00 127.99 3h93 n PRO 45 Ca 0.07 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 3h93 n PRO 45 Cb 0.31 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 3h93 n PRO 45 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3h93 n THR 46 N -1.23 1.52 0.08 0.52 -1.04 0.27 -4.47 114.28 109.94 3h93 n THR 46 Ca 0.12 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.05 61.93 3h93 n THR 46 Cb 0.15 -2.03 0.01 0.00 -1.82 0.00 0.00 70.33 66.63 3h93 n THR 46 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3h93 h ILE 47 N -1.00 1.46 0.18 12.58 2.10 -1.07 -3.22 117.51 128.54 3h93 h ILE 47 Ca -0.42 -2.49 -0.01 0.00 1.08 0.00 0.00 64.86 63.02 3h93 h ILE 47 Cb 1.33 2.38 0.00 0.00 -1.09 0.00 0.00 36.82 39.44 3h93 h ILE 47 CO -0.25 0.73 -0.09 0.58 -1.08 0.00 0.00 178.15 178.04 3h93 h VAL 48 N 0.14 0.88 -0.42 2.19 2.07 -1.55 0.55 116.25 120.11 3h93 h VAL 48 Ca -0.04 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3h93 h VAL 48 Cb 1.45 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 3h93 h VAL 48 CO 0.13 0.06 0.10 -0.65 0.02 0.00 0.00 177.57 177.24 3h93 h PRO 49 N -0.38 0.63 -0.61 1.57 0.11 -1.78 -1.86 132.00 129.68 3h93 h PRO 49 Ca -0.03 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 3h93 h PRO 49 Cb 0.29 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 3h93 h PRO 49 CO 0.04 0.58 0.27 2.35 -0.21 0.00 0.00 178.00 181.03 3h93 h TRP 50 N 0.62 0.91 -0.22 0.65 7.01 -1.52 -2.52 115.95 120.87 3h93 h TRP 50 Ca 0.14 -0.06 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 3h93 h TRP 50 Cb 0.24 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 3h93 h TRP 50 CO 0.01 0.71 -0.06 0.66 -2.79 0.00 0.00 178.44 176.97 3h93 h SER 51 N 0.84 0.31 0.98 2.65 4.64 -0.14 -1.92 113.55 120.91 3h93 h SER 51 Ca 0.21 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3h93 h SER 51 Cb 0.16 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3h93 h SER 51 CO -0.02 0.41 0.00 -0.62 -0.87 0.00 0.00 176.83 175.73 3h93 n GLU 52 N -4.30 0.17 -0.15 4.77 1.02 -0.77 -2.53 120.64 118.85 3h93 n GLU 52 Ca 0.00 0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 3h93 n GLU 52 Cb 0.24 -1.75 0.25 0.00 -0.02 0.00 0.00 31.44 30.15 3h93 n GLU 52 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h93 n LYS 53 N -2.06 2.29 -2.18 3.49 5.02 -0.73 -4.99 118.16 119.01 3h93 n LYS 53 Ca 0.04 -1.95 -0.37 0.00 -2.02 0.00 0.00 58.31 54.01 3h93 n LYS 53 Cb 0.30 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3h93 n LYS 53 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h93 s LEU 54 N -1.55 3.95 0.91 -0.35 1.43 -1.05 -5.01 118.68 117.01 3h93 s LEU 54 Ca 0.36 2.36 -0.15 0.00 -1.03 0.00 0.00 54.13 55.68 3h93 s LEU 54 Cb 0.21 -4.30 0.16 0.00 0.03 0.00 0.00 46.19 42.30 3h93 s LEU 54 CO 0.30 -1.07 1.28 -2.16 0.23 0.00 0.00 176.35 174.92 3h93 s PRO 55 N -2.81 1.06 0.54 1.29 0.04 -1.26 -4.94 135.00 128.91 3h93 s PRO 55 Ca 0.66 -0.25 0.32 0.00 0.04 0.00 0.00 61.00 61.77 3h93 s PRO 55 Cb -0.30 -1.88 1.44 0.00 0.04 0.00 0.00 34.50 33.80 3h93 s PRO 55 CO 0.36 -2.15 2.02 0.00 0.04 0.00 0.00 177.00 177.27 3h93 h ALA 56 N -1.45 1.06 -0.25 8.56 0.00 -2.03 -2.29 119.26 122.86 3h93 h ALA 56 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3h93 h ALA 56 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3h93 h ALA 56 CO 0.47 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 3h93 n ASP 57 N -3.27 1.60 -4.40 0.00 5.75 -1.26 -4.83 116.55 110.14 3h93 n ASP 57 Ca -0.01 -1.86 -0.31 0.00 -0.01 0.00 0.00 54.79 52.61 3h93 n ASP 57 Cb 0.28 -0.16 -0.14 0.00 -1.03 0.00 0.00 41.12 40.07 3h93 n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3h93 s VAL 58 N -1.68 2.49 -0.22 2.12 1.01 -0.86 -0.27 120.40 122.99 3h93 s VAL 58 Ca 0.26 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3h93 s VAL 58 Cb 0.14 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.58 3h93 s VAL 58 CO 0.19 0.40 -0.04 -2.28 0.00 0.00 0.00 175.10 173.38 3h93 s HIS 59 N -0.82 2.11 -0.11 5.22 2.46 -0.07 -4.80 115.29 119.27 3h93 s HIS 59 Ca 0.13 -1.54 -0.16 0.00 0.47 0.00 0.00 55.06 53.95 3h93 s HIS 59 Cb -0.10 -1.47 -0.05 0.00 -0.13 0.00 0.00 32.58 30.83 3h93 s HIS 59 CO 0.03 -0.73 0.41 0.12 -2.47 0.00 0.00 174.74 172.09 3h93 s PHE 60 N 1.49 3.53 0.03 3.88 5.36 -1.26 -1.13 117.98 129.88 3h93 s PHE 60 Ca -0.04 0.81 0.03 0.00 -0.96 0.00 0.00 56.93 56.77 3h93 s PHE 60 Cb -0.18 -2.44 -0.02 0.00 -0.34 0.00 0.00 43.02 40.04 3h93 s PHE 60 CO -0.07 0.27 -0.10 0.08 -1.46 0.00 0.00 175.22 173.94 3h93 s VAL 61 N 0.31 0.78 0.03 3.12 1.01 0.84 -4.96 120.40 121.52 3h93 s VAL 61 Ca 0.23 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3h93 s VAL 61 Cb -0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3h93 s VAL 61 CO 0.09 -0.07 -0.23 -0.13 0.00 0.00 0.00 175.10 174.75 3h93 s ARG 62 N -1.00 1.65 0.04 2.72 0.52 -1.26 -1.41 118.95 120.22 3h93 s ARG 62 Ca -0.02 -0.98 0.05 0.00 -0.52 0.00 0.00 55.73 54.27 3h93 s ARG 62 Cb -0.07 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 3h93 s ARG 62 CO 0.01 0.46 -0.13 -0.51 0.02 0.00 0.00 175.30 175.14 3h93 s LEU 63 N -1.05 2.18 0.41 2.53 1.43 -0.13 -4.95 118.68 119.09 3h93 s LEU 63 Ca 0.09 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.50 3h93 s LEU 63 Cb -0.09 -0.56 -0.09 0.00 0.03 0.00 0.00 46.19 45.48 3h93 s LEU 63 CO 0.01 0.01 1.06 -2.16 0.23 0.00 0.00 176.35 175.51 3h93 s PRO 64 N -1.16 4.12 -0.60 1.29 0.04 -1.26 -2.12 135.00 135.30 3h93 s PRO 64 Ca 0.01 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.34 3h93 s PRO 64 Cb -0.08 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 32.00 3h93 s PRO 64 CO 0.01 -0.19 0.95 0.00 0.04 0.00 0.00 177.00 177.82 3h93 s ALA 65 N -1.66 3.13 -1.23 8.56 0.00 -0.53 -4.75 121.76 125.28 3h93 s ALA 65 Ca 0.59 -1.48 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 3h93 s ALA 65 Cb -0.22 -3.79 0.19 0.00 0.00 0.00 0.00 23.12 19.29 3h93 s ALA 65 CO 0.28 -2.56 1.67 1.28 0.00 0.00 0.00 175.76 176.43 3h93 n LEU 66 N 7.60 6.17 -1.36 0.00 4.77 -1.26 -4.64 117.00 128.28 3h93 n LEU 66 Ca -0.01 -4.67 0.10 0.00 -0.03 0.00 0.00 56.01 51.40 3h93 n LEU 66 Cb 0.47 -1.50 0.31 0.00 -2.33 0.00 0.00 43.42 40.37 3h93 n LEU 66 CO 0.64 1.23 0.77 0.49 -1.33 0.00 0.00 177.39 179.18 3h93 n PHE 67 N 4.04 1.12 0.00 -1.77 3.72 -1.26 -4.88 117.46 118.43 3h93 n PHE 67 Ca 0.37 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3h93 n PHE 67 Cb 0.38 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3h93 n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h93 n GLY 68 N 1.37 2.96 7.00 1.37 0.00 -1.26 -4.96 105.19 111.67 3h93 n GLY 68 Ca 0.23 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3h93 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h93 n GLY 69 N -0.04 3.31 0.27 -0.02 0.00 -1.26 -1.52 105.19 105.93 3h93 n GLY 69 Ca 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.06 3h93 n GLY 69 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h93 h ILE 70 N 0.00 0.50 -0.65 -0.61 6.09 -1.99 -1.30 117.51 119.55 3h93 h ILE 70 Ca 0.00 -0.43 -0.00 0.00 -1.37 0.00 0.00 64.86 63.06 3h93 h ILE 70 Cb 0.00 1.29 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 3h93 h ILE 70 CO 0.00 0.09 0.40 -0.50 -3.07 0.00 0.00 178.15 175.07 3h93 h TRP 71 N 0.00 0.84 -0.16 2.19 4.06 -1.61 -0.17 115.95 121.10 3h93 h TRP 71 Ca -0.00 0.01 -0.20 0.00 2.06 0.00 0.00 58.89 60.76 3h93 h TRP 71 Cb 0.28 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3h93 h TRP 71 CO 0.00 0.55 -0.70 -0.91 -3.56 0.00 0.00 178.44 173.82 3h93 h ASN 72 N 0.89 0.79 -0.20 -3.49 4.21 -1.28 -0.02 115.58 116.48 3h93 h ASN 72 Ca 0.24 -0.49 -0.02 0.00 1.21 0.00 0.00 56.30 57.24 3h93 h ASN 72 Cb -0.06 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 36.90 3h93 h ASN 72 CO -0.05 1.26 0.06 0.58 -1.29 0.00 0.00 177.43 177.99 3h93 h VAL 73 N 0.48 1.19 -0.37 2.81 2.07 -1.40 -0.15 116.25 120.88 3h93 h VAL 73 Ca -0.03 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 3h93 h VAL 73 Cb 1.30 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3h93 h VAL 73 CO 0.14 0.19 -0.09 0.45 0.02 0.00 0.00 177.57 178.29 3h93 h HIS 74 N 0.14 0.68 -0.52 1.57 3.86 -1.02 -2.60 115.15 117.27 3h93 h HIS 74 Ca 0.06 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 3h93 h HIS 74 Cb 0.24 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 3h93 h HIS 74 CO 0.00 0.70 -0.00 0.78 0.86 0.00 0.00 177.93 180.27 3h93 h GLY 75 N 0.95 0.94 -2.20 2.45 0.00 -0.76 -1.13 103.07 103.33 3h93 h GLY 75 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3h93 h GLY 75 CO 0.03 0.60 0.00 -0.18 0.00 0.00 0.00 176.54 176.99 3h93 n GLN 76 N -4.20 0.28 0.00 4.80 7.27 -0.09 -1.29 117.38 124.15 3h93 n GLN 76 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 3h93 n GLN 76 Cb 0.32 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.61 3h93 n GLN 76 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3h93 n PHE 78 N 0.97 0.00 -0.33 3.69 7.35 -0.43 -1.22 117.46 127.49 3h93 n PHE 78 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 3h93 n PHE 78 Cb 0.14 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.15 3h93 n PHE 78 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3h93 h LEU 79 N 0.00 1.02 -0.18 -2.13 3.38 -1.48 -0.68 115.31 115.25 3h93 h LEU 79 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3h93 h LEU 79 Cb 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3h93 h LEU 79 CO 0.00 0.70 0.05 0.74 0.09 0.00 0.00 178.44 180.03 3h93 h THR 80 N 1.19 1.19 -0.67 0.22 2.02 -1.43 -1.14 112.91 114.29 3h93 h THR 80 Ca 0.37 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 3h93 h THR 80 Cb 0.00 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3h93 h THR 80 CO -0.11 0.18 0.15 -0.07 0.37 0.00 0.00 175.52 176.04 3h93 h LEU 81 N 0.10 1.02 -0.47 2.58 3.38 -1.74 -2.72 115.31 117.46 3h93 h LEU 81 Ca 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3h93 h LEU 81 Cb 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3h93 h LEU 81 CO -0.00 1.00 0.31 -0.33 0.09 0.00 0.00 178.44 179.51 3h93 h GLU 82 N 1.00 0.63 -1.90 1.13 4.39 -1.01 -2.50 114.58 116.32 3h93 h GLU 82 Ca 0.21 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3h93 h GLU 82 Cb 0.38 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3h93 h GLU 82 CO 0.00 0.43 0.00 0.43 -1.16 0.00 0.00 179.01 178.71 3h93 n SER 83 N -4.75 0.78 -0.63 1.42 7.64 -0.44 -4.55 113.62 113.08 3h93 n SER 83 Ca 0.02 -0.81 -0.03 0.00 1.01 0.00 0.00 58.87 59.06 3h93 n SER 83 Cb 0.03 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 3h93 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h93 n GLY 85 N 1.40 0.43 3.72 0.23 0.00 -0.95 -5.11 105.19 104.91 3h93 n GLY 85 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3h93 n GLY 85 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h93 s VAL 86 N 0.00 2.65 0.65 1.61 -7.23 -1.15 -5.02 120.40 111.91 3h93 s VAL 86 Ca 0.00 0.24 -0.11 0.00 -1.81 0.00 0.00 61.98 60.31 3h93 s VAL 86 Cb 0.00 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 3h93 s VAL 86 CO 0.00 -0.25 1.04 -1.83 -0.31 0.00 0.00 175.10 173.75 3h93 s GLU 87 N -4.53 3.25 0.48 4.82 -1.05 -1.26 -4.96 118.70 115.45 3h93 s GLU 87 Ca 0.66 0.55 0.17 0.00 -0.15 0.00 0.00 54.97 56.20 3h93 s GLU 87 Cb -0.22 -2.09 1.14 0.00 -0.44 0.00 0.00 34.13 32.53 3h93 s GLU 87 CO 0.53 -0.75 2.05 1.25 0.95 0.00 0.00 175.26 179.29 3h93 h HIS 88 N -0.42 0.00 -0.64 4.83 -0.00 -2.02 -1.90 115.15 115.00 3h93 h HIS 88 Ca -0.45 0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.11 3h93 h HIS 88 Cb 1.22 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.61 3h93 h HIS 88 CO 0.58 0.13 0.47 -0.44 -0.00 0.00 0.00 177.93 178.66 3h93 h ASP 89 N 0.00 0.00 -0.68 3.26 3.32 -2.00 0.56 116.42 120.88 3h93 h ASP 89 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3h93 h ASP 89 Cb 0.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3h93 h ASP 89 CO 0.02 0.00 0.22 0.58 -1.72 0.00 0.00 179.24 178.33 3h93 h VAL 90 N 0.00 1.25 -0.88 -1.35 2.07 -1.68 -1.13 116.25 114.53 3h93 h VAL 90 Ca 0.30 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3h93 h VAL 90 Cb 1.24 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3h93 h VAL 90 CO -0.00 0.34 0.49 0.45 0.02 0.00 0.00 177.57 178.87 3h93 h HIS 91 N 0.99 1.20 -0.66 1.57 3.86 -1.05 -1.54 115.15 119.53 3h93 h HIS 91 Ca 0.22 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3h93 h HIS 91 Cb 0.30 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 3h93 h HIS 91 CO 0.02 0.83 0.32 -0.91 0.86 0.00 0.00 177.93 179.05 3h93 h ASN 92 N 1.23 0.84 -0.74 2.45 2.35 -1.14 -0.97 115.58 119.61 3h93 h ASN 92 Ca 0.31 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3h93 h ASN 92 Cb 0.01 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 3h93 h ASN 92 CO -0.05 0.71 0.38 0.00 -1.65 0.00 0.00 177.43 176.82 3h93 h ALA 93 N 1.42 0.95 -0.08 -0.83 0.00 -0.49 0.30 119.26 120.54 3h93 h ALA 93 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h93 h ALA 93 Cb 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3h93 h ALA 93 CO -0.03 0.49 0.02 0.28 0.00 0.00 0.00 179.25 180.01 3h93 h VAL 94 N 1.03 1.18 -0.39 0.00 2.07 -0.83 0.12 116.25 119.43 3h93 h VAL 94 Ca 0.26 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3h93 h VAL 94 Cb 0.07 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3h93 h VAL 94 CO -0.04 0.15 0.05 -0.26 0.02 0.00 0.00 177.57 177.49 3h93 h PHE 95 N -0.07 0.07 -0.55 1.57 0.04 -1.01 -1.79 116.94 115.19 3h93 h PHE 95 Ca 0.03 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 3h93 h PHE 95 Cb 0.22 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 3h93 h PHE 95 CO -0.00 -0.02 -0.01 1.49 -0.60 0.00 0.00 178.31 179.16 3h93 h GLU 96 N 0.16 0.96 -0.60 1.51 4.81 -0.79 0.19 114.58 120.82 3h93 h GLU 96 Ca 0.19 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3h93 h GLU 96 Cb 0.24 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3h93 h GLU 96 CO -0.27 0.95 0.36 0.00 -0.73 0.00 0.00 179.01 179.32 3h93 h ALA 97 N 1.10 0.78 -0.05 2.92 0.00 -0.52 0.14 119.26 123.63 3h93 h ALA 97 Ca 0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3h93 h ALA 97 Cb 0.53 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h93 h ALA 97 CO 0.03 0.09 -0.39 0.82 0.00 0.00 0.00 179.25 179.79 3h93 h ILE 98 N 0.71 1.44 0.03 0.00 2.04 -0.99 0.60 117.51 121.34 3h93 h ILE 98 Ca 0.24 -1.85 -0.30 0.00 1.00 0.00 0.00 64.86 63.95 3h93 h ILE 98 Cb 0.04 2.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 3h93 h ILE 98 CO -0.11 0.53 -1.68 0.45 0.00 0.00 0.00 178.15 177.34 3h93 h HIS 99 N -0.17 0.12 0.00 1.37 3.86 -0.89 -2.99 115.15 116.45 3h93 h HIS 99 Ca -0.04 -0.09 -0.35 0.00 -1.16 0.00 0.00 60.37 58.74 3h93 h HIS 99 Cb 1.08 -0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.48 3h93 h HIS 99 CO 0.14 1.16 -2.32 1.63 0.86 0.00 0.00 177.93 179.40 3h93 n LYS 100 N -3.18 0.62 0.03 2.45 4.76 0.42 -4.53 118.16 118.74 3h93 n LYS 100 Ca -0.18 0.12 0.12 0.00 -2.87 0.00 0.00 58.31 55.50 3h93 n LYS 100 Cb 1.04 -1.47 0.11 0.00 -1.84 0.00 0.00 35.03 32.87 3h93 n LYS 100 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3h93 n GLU 101 N -3.14 0.23 -2.26 1.97 1.02 -0.73 -4.96 120.64 112.77 3h93 n GLU 101 Ca -0.40 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.56 3h93 n GLU 101 Cb 0.95 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.75 3h93 n GLU 101 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3h93 n HIS 102 N -1.91 -0.81 -2.45 -0.32 8.25 -0.34 -4.96 115.22 112.69 3h93 n HIS 102 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 3h93 n HIS 102 Cb 0.41 -3.79 -0.04 0.00 1.12 0.00 0.00 29.99 27.70 3h93 n HIS 102 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3h93 s LYS 103 N -4.80 4.48 0.06 -0.41 1.02 0.06 -4.97 119.74 115.18 3h93 s LYS 103 Ca 0.00 1.78 -0.02 0.00 0.02 0.00 0.00 55.97 57.76 3h93 s LYS 103 Cb 0.00 -3.01 -0.27 0.00 -0.52 0.00 0.00 37.83 34.03 3h93 s LYS 103 CO 0.00 0.07 1.08 0.87 -0.92 0.00 0.00 175.35 176.45 3h93 h LYS 104 N 3.43 0.21 -6.64 1.68 1.79 -1.93 -3.37 116.57 111.75 3h93 h LYS 104 Ca -0.47 -0.36 -0.53 0.00 -2.18 0.00 0.00 60.65 57.11 3h93 h LYS 104 Cb 1.22 0.14 0.03 0.00 -1.58 0.00 0.00 32.23 32.03 3h93 h LYS 104 CO 0.65 1.13 -0.98 1.28 -1.08 0.00 0.00 179.45 180.46 3h93 n LEU 105 N -3.47 -1.37 -0.00 2.94 4.77 -1.26 -4.88 117.00 113.73 3h93 n LEU 105 Ca -0.09 -1.17 0.10 0.00 -0.03 0.00 0.00 56.01 54.82 3h93 n LEU 105 Cb 1.02 -1.95 -0.11 0.00 -2.33 0.00 0.00 43.42 40.05 3h93 n LEU 105 CO 0.52 0.66 -0.18 0.00 -1.33 0.00 0.00 177.39 177.06 3h93 n ALA 106 N -4.65 4.25 -2.54 -1.18 0.00 -1.26 -4.74 120.51 110.39 3h93 n ALA 106 Ca -0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 3h93 n ALA 106 Cb 0.58 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.15 3h93 n ALA 106 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h93 s THR 107 N -3.12 0.15 0.44 0.00 -4.23 -1.26 -5.01 115.64 102.61 3h93 s THR 107 Ca 0.05 -1.27 0.12 0.00 -1.18 0.00 0.00 61.69 59.41 3h93 s THR 107 Cb 0.16 -1.16 0.21 0.00 1.34 0.00 0.00 72.50 73.05 3h93 s THR 107 CO 0.87 -0.70 2.02 1.55 -0.54 0.00 0.00 174.62 177.82 3h93 h PRO 108 N 3.28 0.16 -0.33 3.99 0.13 -1.97 -2.17 132.00 135.10 3h93 h PRO 108 Ca -0.33 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 3h93 h PRO 108 Cb 1.18 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3h93 h PRO 108 CO 0.55 0.23 0.15 0.93 -0.23 0.00 0.00 178.00 179.63 3h93 h GLU 109 N 0.16 0.48 -0.66 0.86 3.07 -2.01 0.12 114.58 116.60 3h93 h GLU 109 Ca 0.04 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3h93 h GLU 109 Cb 0.20 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3h93 h GLU 109 CO 0.01 0.46 0.00 0.39 -1.40 0.00 0.00 179.01 178.47 3h93 n GLU 110 N -4.74 0.12 0.00 2.33 1.02 -0.82 -2.06 120.64 116.50 3h93 n GLU 110 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3h93 n GLU 110 Cb 0.12 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3h93 n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h93 n ALA 112 N 0.59 0.00 -0.22 0.62 0.00 0.41 -1.59 120.51 120.32 3h93 n ALA 112 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3h93 n ALA 112 Cb 0.04 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.52 3h93 n ALA 112 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h93 h ASP 113 N 0.00 1.02 -0.01 0.00 3.32 -1.65 -0.14 116.42 118.96 3h93 h ASP 113 Ca 0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 3h93 h ASP 113 Cb 0.00 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 3h93 h ASP 113 CO 0.00 1.04 0.00 0.15 -1.72 0.00 0.00 179.24 178.71 3h93 h PHE 114 N 0.96 0.02 0.00 4.55 3.57 -1.56 -3.18 116.94 121.30 3h93 h PHE 114 Ca 0.18 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3h93 h PHE 114 Cb 0.48 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3h93 h PHE 114 CO 0.04 0.31 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.15 3h93 h LEU 115 N -0.27 0.00 -2.20 0.59 3.38 -1.79 -1.70 115.31 113.32 3h93 h LEU 115 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3h93 h LEU 115 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3h93 h LEU 115 CO 0.00 0.20 0.02 0.00 0.09 0.00 0.00 178.44 178.75 3h93 h ALA 116 N 1.80 1.82 -0.01 1.53 0.00 -0.99 0.20 119.26 123.60 3h93 h ALA 116 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h93 h ALA 116 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3h93 h ALA 116 CO 0.03 -0.03 -0.02 0.41 0.00 0.00 0.00 179.25 179.64 3h93 n GLY 117 N -1.45 -0.37 0.26 0.00 0.00 -0.64 -3.65 105.19 99.33 3h93 n GLY 117 Ca -0.02 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.72 3h93 n GLY 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h93 n LYS 118 N -0.27 1.44 -1.46 1.61 4.76 0.61 -4.97 118.16 119.87 3h93 n LYS 118 Ca 0.20 -2.79 -0.00 0.00 -2.87 0.00 0.00 58.31 52.85 3h93 n LYS 118 Cb 0.28 -1.55 -0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3h93 n LYS 118 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h93 n GLY 119 N -1.32 0.38 3.35 0.72 0.00 -1.09 -4.88 105.19 102.36 3h93 n GLY 119 Ca 0.17 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 3h93 n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h93 s VAL 120 N -2.01 3.29 -0.01 1.61 1.01 -0.67 -5.03 120.40 118.60 3h93 s VAL 120 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3h93 s VAL 120 Cb 0.00 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 3h93 s VAL 120 CO 0.00 0.47 1.69 -0.62 0.00 0.00 0.00 175.10 176.64 3h93 s ASP 121 N 0.91 6.63 0.14 3.32 2.15 -1.26 -3.56 116.67 124.99 3h93 s ASP 121 Ca -0.02 2.36 -0.16 0.00 0.43 0.00 0.00 52.55 55.17 3h93 s ASP 121 Cb -0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 3h93 s ASP 121 CO 0.00 -0.92 1.71 0.50 -0.17 0.00 0.00 175.17 176.29 3h93 h LYS 122 N 9.28 0.61 -0.48 4.34 3.64 -1.94 -0.94 116.57 131.08 3h93 h LYS 122 Ca -0.42 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 58.75 3h93 h LYS 122 Cb 1.19 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3h93 h LYS 122 CO 0.94 0.54 -0.15 0.93 -2.27 0.00 0.00 179.45 179.44 3h93 h GLU 123 N 0.53 0.94 -0.37 1.90 4.39 -1.96 -0.36 114.58 119.65 3h93 h GLU 123 Ca 0.14 -0.38 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 3h93 h GLU 123 Cb 0.14 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3h93 h GLU 123 CO -0.02 1.04 -0.12 0.87 -1.16 0.00 0.00 179.01 179.62 3h93 h LYS 124 N 0.79 0.66 0.06 2.33 1.57 -1.95 -1.33 116.57 118.71 3h93 h LYS 124 Ca 0.12 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3h93 h LYS 124 Cb 0.71 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3h93 h LYS 124 CO 0.05 0.76 -0.03 0.35 -0.57 0.00 0.00 179.45 180.01 3h93 h PHE 125 N 0.60 -0.08 -0.51 -1.35 3.57 -0.68 -1.01 116.94 117.48 3h93 h PHE 125 Ca 0.10 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3h93 h PHE 125 Cb 0.56 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3h93 h PHE 125 CO 0.02 0.07 0.13 -0.07 -2.23 0.00 0.00 178.31 176.24 3h93 h LEU 126 N -0.22 0.76 -0.48 0.59 3.38 -0.99 0.19 115.31 118.55 3h93 h LEU 126 Ca -0.01 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3h93 h LEU 126 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3h93 h LEU 126 CO 0.01 0.79 0.27 0.28 0.09 0.00 0.00 178.44 179.89 3h93 h SER 127 N 0.70 0.43 -0.03 -0.43 0.02 -1.20 -1.71 113.55 111.34 3h93 h SER 127 Ca 0.16 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3h93 h SER 127 Cb 0.32 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3h93 h SER 127 CO 0.00 0.31 -0.01 0.74 -1.14 0.00 0.00 176.83 176.73 3h93 h THR 128 N 0.55 1.30 -0.92 -2.27 2.02 -0.89 -2.95 112.91 109.75 3h93 h THR 128 Ca 0.20 -0.92 0.08 0.00 0.77 0.00 0.00 66.41 66.53 3h93 h THR 128 Cb 0.04 1.87 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 3h93 h THR 128 CO -0.10 0.25 0.60 0.22 0.37 0.00 0.00 175.52 176.85 3h93 h TYR 129 N -0.31 1.05 -0.39 3.16 5.03 -0.49 -1.81 116.97 123.21 3h93 h TYR 129 Ca 0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.35 3h93 h TYR 129 Cb 0.40 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.34 3h93 h TYR 129 CO 0.06 0.52 0.00 0.09 -1.32 0.00 0.00 178.16 177.50 3h93 n ASN 130 N -4.51 2.31 -4.81 -2.11 3.02 -0.65 -4.87 115.26 103.62 3h93 n ASN 130 Ca 0.15 -1.94 -0.33 0.00 -0.03 0.00 0.00 54.58 52.42 3h93 n ASN 130 Cb 0.24 -0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 39.10 3h93 n ASN 130 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h93 s SER 131 N -1.14 6.81 0.23 6.41 1.04 -0.68 -4.95 113.70 121.42 3h93 s SER 131 Ca 0.31 1.75 -0.07 0.00 0.48 0.00 0.00 55.95 58.41 3h93 s SER 131 Cb 0.16 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 64.01 3h93 s SER 131 CO 0.22 -0.45 1.84 0.15 0.98 0.00 0.00 173.24 175.99 3h93 h PHE 132 N 1.87 0.89 -0.80 5.02 3.57 -1.91 -2.45 116.94 123.12 3h93 h PHE 132 Ca -0.49 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.16 3h93 h PHE 132 Cb 1.19 -0.29 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 3h93 h PHE 132 CO 0.61 0.46 0.40 0.00 -2.23 0.00 0.00 178.31 177.55 3h93 h ALA 133 N 1.36 1.17 -0.09 2.41 0.00 -1.92 -0.93 119.26 121.27 3h93 h ALA 133 Ca 0.33 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3h93 h ALA 133 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3h93 h ALA 133 CO -0.16 -0.08 -0.42 0.82 0.00 0.00 0.00 179.25 179.42 3h93 h ILE 134 N 0.61 1.31 -0.90 0.00 1.08 -1.70 -1.69 117.51 116.22 3h93 h ILE 134 Ca 0.43 -1.52 0.01 0.00 -0.39 0.00 0.00 64.86 63.38 3h93 h ILE 134 Cb 0.56 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 35.98 3h93 h ILE 134 CO -0.34 0.45 0.59 0.11 -0.69 0.00 0.00 178.15 178.27 3h93 h LYS 135 N 0.16 1.20 -0.59 2.37 1.57 -0.98 -2.36 116.57 117.93 3h93 h LYS 135 Ca 0.01 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3h93 h LYS 135 Cb 0.81 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3h93 h LYS 135 CO 0.06 0.80 0.30 0.78 -0.57 0.00 0.00 179.45 180.83 3h93 h GLY 136 N 1.23 0.90 -1.89 3.86 0.00 -0.84 -2.20 103.07 104.13 3h93 h GLY 136 Ca 0.33 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3h93 h GLY 136 CO -0.07 0.41 0.00 -1.06 0.00 0.00 0.00 176.54 175.82 3h93 n GLN 137 N -4.55 0.26 0.00 4.80 6.02 -0.70 -1.74 117.38 121.46 3h93 n GLN 137 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3h93 n GLN 137 Cb 0.11 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.02 3h93 n GLN 137 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3h93 n GLU 139 N 0.82 0.00 -0.22 -1.09 4.07 -0.83 -0.98 120.64 122.40 3h93 n GLU 139 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 3h93 n GLU 139 Cb 0.12 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.53 3h93 n GLU 139 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 3h93 h LYS 140 N 0.00 0.90 -0.30 5.31 1.63 -1.62 -1.56 116.57 120.93 3h93 h LYS 140 Ca 0.00 -0.15 -0.09 0.00 -0.85 0.00 0.00 60.65 59.57 3h93 h LYS 140 Cb 0.00 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 3h93 h LYS 140 CO 0.00 0.74 -0.18 0.00 -3.45 0.00 0.00 179.45 176.57 3h93 h ALA 141 N 1.11 1.13 -0.20 5.00 0.00 -1.33 -0.03 119.26 124.94 3h93 h ALA 141 Ca 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3h93 h ALA 141 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3h93 h ALA 141 CO -0.02 0.54 0.07 0.87 0.00 0.00 0.00 179.25 180.72 3h93 h LYS 142 N 0.50 0.30 -0.73 0.00 1.57 -1.76 -2.10 116.57 114.34 3h93 h LYS 142 Ca 0.08 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3h93 h LYS 142 Cb 0.59 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3h93 h LYS 142 CO 0.04 0.38 0.33 0.87 -0.57 0.00 0.00 179.45 180.50 3h93 h LYS 143 N 0.16 1.06 -0.28 3.15 1.57 -0.86 -2.80 116.57 118.56 3h93 h LYS 143 Ca 0.07 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3h93 h LYS 143 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3h93 h LYS 143 CO -0.00 0.83 0.11 -0.07 -0.57 0.00 0.00 179.45 179.74 3h93 h LEU 144 N 1.04 0.40 -1.72 2.94 3.38 -0.91 -0.16 115.31 120.27 3h93 h LEU 144 Ca 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3h93 h LEU 144 Cb 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3h93 h LEU 144 CO -0.03 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3h93 n ALA 145 N -2.27 1.37 0.00 1.53 0.00 -0.80 -0.68 120.51 119.66 3h93 n ALA 145 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3h93 n ALA 145 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3h93 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h93 n ALA 147 N 0.86 0.00 0.76 0.00 0.00 -0.07 -1.49 120.51 120.57 3h93 n ALA 147 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3h93 n ALA 147 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 19.45 19.95 3h93 n ALA 147 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h93 n TYR 148 N 0.00 0.37 -3.60 0.00 4.01 0.15 -4.92 117.16 113.17 3h93 n TYR 148 Ca 0.00 0.12 -0.23 0.00 -0.16 0.00 0.00 57.90 57.63 3h93 n TYR 148 Cb 0.00 -0.69 0.07 0.00 -0.31 0.00 0.00 39.34 38.41 3h93 n TYR 148 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3h93 n GLN 149 N -1.81 -7.08 -2.63 -0.72 6.02 -0.55 -4.95 117.38 105.66 3h93 n GLN 149 Ca 0.06 0.79 -0.41 0.00 -0.01 0.00 0.00 57.00 57.43 3h93 n GLN 149 Cb 0.34 -5.78 -0.05 0.00 1.02 0.00 0.00 30.24 25.77 3h93 n GLN 149 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3h93 s VAL 150 N -3.36 4.07 -0.12 5.09 1.01 -1.02 -4.95 120.40 121.12 3h93 s VAL 150 Ca 0.39 1.85 0.05 0.00 0.00 0.00 0.00 61.98 64.27 3h93 s VAL 150 Cb -0.18 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 3h93 s VAL 150 CO 0.75 0.35 0.17 0.35 0.00 0.00 0.00 175.10 176.72 3h93 n THR 151 N 2.20 0.00 -3.40 3.92 -2.24 -1.26 -5.09 114.28 108.40 3h93 n THR 151 Ca 0.01 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.52 3h93 n THR 151 Cb 0.47 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3h93 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h93 n GLY 152 N 1.71 2.02 3.29 3.38 0.00 -1.26 -5.19 105.19 109.14 3h93 n GLY 152 Ca -0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 3h93 n GLY 152 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h93 s VAL 153 N -2.66 0.07 0.27 1.61 -7.23 -1.26 -4.25 120.40 106.95 3h93 s VAL 153 Ca 0.06 -0.58 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 3h93 s VAL 153 Cb -0.01 -0.98 -0.09 0.00 0.56 0.00 0.00 36.38 35.86 3h93 s VAL 153 CO 0.05 -0.32 1.08 -2.16 -0.31 0.00 0.00 175.10 173.44 3h93 s PRO 154 N -2.66 4.66 0.00 4.82 0.04 -1.26 -4.76 135.00 135.83 3h93 s PRO 154 Ca -0.04 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3h93 s PRO 154 Cb -0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.33 3h93 s PRO 154 CO -0.04 0.23 0.00 2.41 0.04 0.00 0.00 177.00 179.65 3h93 n THR 155 N 1.30 0.00 -3.44 1.26 -1.04 -0.49 -4.11 114.28 107.75 3h93 n THR 155 Ca -0.01 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.03 3h93 n THR 155 Cb 0.45 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.91 3h93 n THR 155 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3h93 s VAL 157 N -0.36 -0.04 -0.21 12.58 1.01 -0.18 -0.49 120.40 132.72 3h93 s VAL 157 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 3h93 s VAL 157 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3h93 s VAL 157 CO 0.00 0.00 0.06 -0.69 0.00 0.00 0.00 175.10 174.47 3h93 s VAL 158 N 1.53 4.62 -1.27 2.92 1.01 0.27 -0.90 120.40 128.57 3h93 s VAL 158 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3h93 s VAL 158 Cb -0.02 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.28 3h93 s VAL 158 CO -0.13 0.41 0.24 -3.20 0.00 0.00 0.00 175.10 172.42 3h93 n ASN 159 N 4.03 -4.40 -1.33 3.32 5.15 0.11 -1.12 115.26 121.02 3h93 n ASN 159 Ca -0.16 -0.07 -0.17 0.00 -0.60 0.00 0.00 54.58 53.57 3h93 n ASN 159 Cb 0.52 -3.66 -0.07 0.00 -0.53 0.00 0.00 39.78 36.03 3h93 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h93 n GLY 160 N -1.05 1.70 0.00 8.20 0.00 -1.26 -4.75 105.19 108.04 3h93 n GLY 160 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3h93 n GLY 160 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h93 n LYS 161 N -2.33 1.59 -4.52 1.61 2.85 -0.27 -0.67 118.16 116.42 3h93 n LYS 161 Ca -0.17 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.78 3h93 n LYS 161 Cb 0.59 -0.63 -0.17 0.00 -0.65 0.00 0.00 35.03 34.17 3h93 n LYS 161 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3h93 s TYR 162 N -1.15 2.35 -0.10 5.58 2.02 -0.72 -0.25 117.35 125.08 3h93 s TYR 162 Ca 0.00 -1.18 -0.01 0.00 -0.37 0.00 0.00 57.07 55.52 3h93 s TYR 162 Cb 0.00 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 3h93 s TYR 162 CO 0.00 -0.57 -0.06 0.50 -1.57 0.00 0.00 175.55 173.85 3h93 s ARG 163 N 0.95 3.08 0.18 -0.62 3.52 0.06 -0.57 118.95 125.55 3h93 s ARG 163 Ca -0.06 -0.54 -0.17 0.00 -0.13 0.00 0.00 55.73 54.83 3h93 s ARG 163 Cb -0.15 -2.70 0.03 0.00 -1.56 0.00 0.00 34.95 30.58 3h93 s ARG 163 CO -0.03 0.51 0.50 -0.59 -0.81 0.00 0.00 175.30 174.88 3h93 s PHE 164 N -0.39 -0.15 0.20 5.12 -0.71 -1.26 -0.77 117.98 120.02 3h93 s PHE 164 Ca 0.06 -0.18 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 3h93 s PHE 164 Cb -0.12 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 42.04 3h93 s PHE 164 CO 0.02 -0.86 0.21 -0.40 -1.34 0.00 0.00 175.22 172.85 3h93 n ASP 165 N -0.32 -0.56 -0.14 1.98 5.68 -1.26 -4.58 116.55 117.34 3h93 n ASP 165 Ca -0.12 -2.21 -0.11 0.00 -0.50 0.00 0.00 54.79 51.86 3h93 n ASP 165 Cb 0.63 1.17 -0.01 0.00 -1.14 0.00 0.00 41.12 41.77 3h93 n ASP 165 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3h93 h ILE 166 N 1.61 1.27 -0.51 2.12 2.04 -1.89 -1.38 117.51 120.78 3h93 h ILE 166 Ca -0.14 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 3h93 h ILE 166 Cb 0.70 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3h93 h ILE 166 CO 0.20 0.38 0.23 1.23 0.00 0.00 0.00 178.15 180.20 3h93 h GLY 167 N 0.59 0.79 1.41 5.37 0.00 -1.93 0.72 103.07 110.03 3h93 h GLY 167 Ca 0.11 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 3h93 h GLY 167 CO 0.03 0.38 -0.27 1.48 0.00 0.00 0.00 176.54 178.16 3h93 h SER 168 N 0.67 0.69 0.92 0.19 4.64 -1.81 -2.99 113.55 115.86 3h93 h SER 168 Ca 0.17 -0.26 -0.18 0.00 -0.47 0.00 0.00 61.79 61.06 3h93 h SER 168 Cb 0.14 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3h93 h SER 168 CO -0.02 0.93 -0.84 0.00 -0.87 0.00 0.00 176.83 176.03 3h93 h ALA 169 N 1.12 0.57 0.00 5.18 0.00 -1.13 -3.37 119.26 121.63 3h93 h ALA 169 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3h93 h ALA 169 Cb 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h93 h ALA 169 CO 0.06 1.05 0.00 0.41 0.00 0.00 0.00 179.25 180.77 3h93 n GLY 170 N 1.00 1.11 0.00 0.00 0.00 0.14 -4.71 105.19 102.73 3h93 n GLY 170 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h93 n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h93 n GLY 171 N -1.79 2.85 0.11 -0.02 0.00 -0.56 -4.82 105.19 100.96 3h93 n GLY 171 Ca 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 3h93 n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h93 h PRO 172 N 0.00 -0.17 -0.24 1.61 0.13 -1.97 -0.70 132.00 130.66 3h93 h PRO 172 Ca 0.00 0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.05 3h93 h PRO 172 Cb 0.00 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 3h93 h PRO 172 CO 0.00 0.00 -0.26 0.93 -0.23 0.00 0.00 178.00 178.45 3h93 h GLU 173 N -0.32 0.46 -0.50 0.86 5.08 -1.99 -2.56 114.58 115.62 3h93 h GLU 173 Ca -0.02 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3h93 h GLU 173 Cb 0.26 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3h93 h GLU 173 CO 0.03 0.69 0.24 0.93 -1.00 0.00 0.00 179.01 179.90 3h93 h GLU 174 N 0.41 0.69 -0.58 2.33 3.07 -1.82 -1.21 114.58 117.47 3h93 h GLU 174 Ca 0.06 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 3h93 h GLU 174 Cb 0.67 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3h93 h GLU 174 CO 0.05 0.53 0.15 1.15 -1.40 0.00 0.00 179.01 179.49 3h93 h THR 175 N 0.69 1.25 -0.48 1.13 2.02 -0.71 -0.52 112.91 116.29 3h93 h THR 175 Ca 0.17 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.36 3h93 h THR 175 Cb 0.07 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3h93 h THR 175 CO -0.02 0.32 -0.19 -0.07 0.37 0.00 0.00 175.52 175.93 3h93 h LEU 176 N 0.83 0.96 -0.81 2.58 3.38 -1.25 -0.77 115.31 120.23 3h93 h LEU 176 Ca 0.18 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3h93 h LEU 176 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3h93 h LEU 176 CO -0.00 1.12 0.06 0.11 0.09 0.00 0.00 178.44 179.81 3h93 h LYS 177 N 0.83 0.95 -0.46 1.13 1.57 -1.03 -0.01 116.57 119.54 3h93 h LYS 177 Ca 0.12 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3h93 h LYS 177 Cb 0.74 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3h93 h LYS 177 CO 0.06 0.91 0.06 1.25 -0.57 0.00 0.00 179.45 181.16 3h93 h LEU 178 N 0.89 0.75 -0.22 2.94 5.85 -0.96 -0.82 115.31 123.74 3h93 h LEU 178 Ca 0.17 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3h93 h LEU 178 Cb 0.44 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3h93 h LEU 178 CO 0.02 0.83 0.00 0.00 -0.34 0.00 0.00 178.44 178.95 3h93 h ALA 179 N 0.95 0.19 -0.90 1.25 0.00 -0.85 0.09 119.26 119.99 3h93 h ALA 179 Ca 0.14 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3h93 h ALA 179 Cb 0.41 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3h93 h ALA 179 CO 0.01 -0.43 0.57 -0.44 0.00 0.00 0.00 179.25 178.96 3h93 h ASP 180 N 0.07 0.89 -0.26 0.00 3.32 -0.80 0.55 116.42 120.19 3h93 h ASP 180 Ca 0.10 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3h93 h ASP 180 Cb 0.13 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3h93 h ASP 180 CO -0.17 0.57 0.04 0.22 -1.72 0.00 0.00 179.24 178.18 3h93 h TYR 181 N 1.03 0.46 -0.27 4.55 3.20 -0.48 -0.82 116.97 124.64 3h93 h TYR 181 Ca 0.39 -0.06 -0.14 0.00 3.14 0.00 0.00 58.73 62.06 3h93 h TYR 181 Cb 0.18 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3h93 h TYR 181 CO -0.02 0.54 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.57 3h93 h LEU 182 N 0.25 0.68 -0.27 2.82 3.38 -0.63 -0.08 115.31 121.46 3h93 h LEU 182 Ca 0.08 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3h93 h LEU 182 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3h93 h LEU 182 CO 0.00 1.00 0.14 0.40 0.09 0.00 0.00 178.44 180.08 3h93 h ILE 183 N 0.53 1.01 -0.55 1.22 2.04 -0.80 -1.50 117.51 119.46 3h93 h ILE 183 Ca 0.04 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 3h93 h ILE 183 Cb 0.92 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3h93 h ILE 183 CO 0.08 0.05 0.14 -0.08 0.00 0.00 0.00 178.15 178.35 3h93 h GLU 184 N 0.30 0.84 -0.47 2.37 4.57 -0.87 0.81 114.58 122.12 3h93 h GLU 184 Ca 0.11 -0.17 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3h93 h GLU 184 Cb 0.02 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 3h93 h GLU 184 CO -0.07 0.75 0.28 -0.22 -1.18 0.00 0.00 179.01 178.58 3h93 h LYS 185 N 0.81 0.55 -0.51 1.92 3.64 -0.64 0.11 116.57 122.46 3h93 h LYS 185 Ca 0.18 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 3h93 h LYS 185 Cb 0.29 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3h93 h LYS 185 CO -0.00 0.37 -0.06 0.93 -2.27 0.00 0.00 179.45 178.41 3h93 h GLU 186 N 0.57 0.94 -0.10 1.90 4.39 -0.85 -1.76 114.58 119.67 3h93 h GLU 186 Ca 0.18 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 3h93 h GLU 186 Cb 0.00 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3h93 h GLU 186 CO -0.08 0.99 0.06 -0.09 -1.16 0.00 0.00 179.01 178.73 3h93 h ARG 187 N 0.80 0.13 -0.77 2.33 2.43 -0.37 -2.33 114.38 116.60 3h93 h ARG 187 Ca 0.14 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3h93 h ARG 187 Cb 0.61 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3h93 h ARG 187 CO 0.04 0.12 0.28 0.00 -1.51 0.00 0.00 179.97 178.90 3h93 h ALA 188 N 1.00 1.00 -0.21 2.80 0.00 -0.75 -2.65 119.26 120.46 3h93 h ALA 188 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3h93 h ALA 188 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3h93 h ALA 188 CO -0.01 0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.85 3h93 h ALA 189 N 1.15 1.54 0.00 0.00 0.00 -1.09 -1.98 119.26 118.89 3h93 h ALA 189 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h93 h ALA 189 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h93 h ALA 189 CO -0.02 0.33 -0.03 0.00 0.00 0.00 0.00 179.25 179.54 3h93 n ALA 190 N -2.49 2.33 0.02 0.00 0.00 -0.90 -3.47 120.51 116.01 3h93 n ALA 190 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3h93 n ALA 190 Cb 0.22 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 3h93 n ALA 190 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h93 n LYS 191 N -2.04 0.63 0.00 0.00 5.02 -0.77 -5.11 118.16 115.88 3h93 n LYS 191 Ca 0.06 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3h93 n LYS 191 Cb 0.41 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3h93 n LYS 191 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51