#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4c s THR 5 N 0.00 2.24 -0.05 3.17 -4.23 -1.26 -5.09 115.64 110.42 1h4c s THR 5 Ca 0.00 -2.26 -0.16 0.00 -1.18 0.00 0.00 61.69 58.09 1h4c s THR 5 Cb 0.00 -2.50 -0.31 0.00 1.34 0.00 0.00 72.50 71.03 1h4c s THR 5 CO 0.00 -0.29 0.74 0.71 -0.54 0.00 0.00 174.62 175.25 1h4c h THR 6 N 2.14 1.15 -3.35 3.99 1.35 -2.01 -3.45 112.91 112.72 1h4c h THR 6 Ca -0.41 -2.52 -0.62 0.00 -0.55 0.00 0.00 66.41 62.32 1h4c h THR 6 Cb 1.25 2.89 -0.33 0.00 -1.73 0.00 0.00 68.15 70.23 1h4c h THR 6 CO 0.67 0.77 -0.85 -0.63 -0.25 0.00 0.00 175.52 175.23 1h4c s ILE 7 N -2.52 1.70 -0.12 6.82 1.01 -1.26 -3.28 121.20 123.55 1h4c s ILE 7 Ca -0.15 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.48 1h4c s ILE 7 Cb 0.04 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1h4c s ILE 7 CO 0.84 0.48 0.61 -0.89 0.00 0.00 0.00 174.94 175.99 1h4c s THR 8 N 0.54 5.08 0.28 2.92 2.01 -0.26 -4.68 115.64 121.53 1h4c s THR 8 Ca -0.16 1.22 -0.25 0.00 0.31 0.00 0.00 61.69 62.81 1h4c s THR 8 Cb -0.17 -3.95 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 1h4c s THR 8 CO 0.06 0.22 0.89 -0.83 -0.69 0.00 0.00 174.62 174.28 1h4c s GLY 9 N 0.88 2.82 -0.05 4.40 0.00 -0.03 -0.84 107.32 114.50 1h4c s GLY 9 Ca 0.31 0.46 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 1h4c s GLY 9 CO 0.13 0.91 0.01 0.14 0.00 0.00 0.00 173.10 174.30 1h4c s VAL 10 N -1.51 0.21 -0.17 1.40 1.01 0.45 -0.93 120.40 120.86 1h4c s VAL 10 Ca 0.47 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 1h4c s VAL 10 Cb -0.19 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1h4c s VAL 10 CO 0.24 0.20 0.44 -0.69 0.00 0.00 0.00 175.10 175.29 1h4c s VAL 11 N 1.61 5.19 -0.53 2.92 1.01 -0.31 -1.27 120.40 129.01 1h4c s VAL 11 Ca -0.01 0.82 -0.17 0.00 0.00 0.00 0.00 61.98 62.62 1h4c s VAL 11 Cb -0.13 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 32.58 1h4c s VAL 11 CO -0.03 0.27 0.54 -0.76 0.00 0.00 0.00 175.10 175.13 1h4c s LEU 12 N 1.07 5.60 -0.38 3.92 1.43 0.16 -0.60 118.68 129.88 1h4c s LEU 12 Ca 0.22 -1.41 0.07 0.00 -1.03 0.00 0.00 54.13 51.98 1h4c s LEU 12 Cb -0.15 -2.27 0.67 0.00 0.03 0.00 0.00 46.19 44.47 1h4c s LEU 12 CO 0.09 -0.87 1.81 0.00 0.23 0.00 0.00 176.35 177.61 1h4c n ALA 13 N 5.68 5.04 0.00 4.21 0.00 0.43 -1.32 120.51 134.54 1h4c n ALA 13 Ca -0.11 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1h4c n ALA 13 Cb 0.43 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1h4c n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4c n GLY 14 N -0.80 1.05 0.00 0.00 0.00 -1.25 -4.70 105.19 99.48 1h4c n GLY 14 Ca 0.49 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1h4c n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4c n GLY 15 N 1.26 4.77 6.89 -0.02 0.00 -1.26 -4.04 105.19 112.79 1h4c n GLY 15 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1h4c n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1h4c n LYS 16 N 0.00 0.00 -2.62 1.61 2.85 -1.26 -4.84 118.16 113.90 1h4c n LYS 16 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 1h4c n LYS 16 Cb 0.00 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.42 1h4c n LYS 16 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1h4c n ALA 17 N 7.57 -1.83 1.56 0.58 0.00 -1.26 -4.95 120.51 122.18 1h4c n ALA 17 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1h4c n ALA 17 Cb 0.00 -3.59 0.56 0.00 0.00 0.00 0.00 19.45 16.42 1h4c n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h4c n ARG 18 N -2.49 1.49 -3.67 0.00 1.74 -1.26 -4.09 116.66 108.39 1h4c n ARG 18 Ca -0.04 -0.73 -0.08 0.00 -0.77 0.00 0.00 57.85 56.23 1h4c n ARG 18 Cb 0.57 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.48 1h4c n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h4c s ALA 19 N -1.94 -1.22 0.00 7.54 0.00 -1.26 -4.97 121.76 119.91 1h4c s ALA 19 Ca 0.37 1.62 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1h4c s ALA 19 Cb 0.19 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1h4c s ALA 19 CO 0.31 -0.60 0.00 -0.12 0.00 0.00 0.00 175.76 175.35 1h4c n MET 20 N 5.00 0.00 0.00 0.00 0.00 -1.26 -3.66 117.12 117.20 1h4c n MET 20 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.56 1h4c n MET 20 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.74 1h4c n MET 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1h4c n GLY 21 N 0.00 2.28 2.58 -5.12 0.00 -1.26 -4.98 105.19 98.70 1h4c n GLY 21 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1h4c n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4c n GLY 22 N 0.00 -1.77 3.73 -0.02 0.00 -1.24 -4.69 105.19 101.21 1h4c n GLY 22 Ca 0.00 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1h4c n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h4c n VAL 23 N 0.00 0.68 -2.89 1.61 0.31 -1.26 -4.94 118.33 111.84 1h4c n VAL 23 Ca 0.00 -0.17 -0.43 0.00 -0.01 0.00 0.00 64.34 63.73 1h4c n VAL 23 Cb 0.00 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 30.96 1h4c n VAL 23 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h4c s ASP 24 N 0.70 6.27 0.25 4.52 -1.08 -1.26 -4.92 116.67 121.16 1h4c s ASP 24 Ca 0.68 -1.25 -0.05 0.00 -0.52 0.00 0.00 52.55 51.41 1h4c s ASP 24 Cb -0.51 -2.41 0.30 0.00 -1.46 0.00 0.00 42.92 38.84 1h4c s ASP 24 CO 0.43 -1.34 1.85 0.50 0.52 0.00 0.00 175.17 177.13 1h4c h LYS 25 N 9.39 1.09 0.00 4.34 3.64 -1.92 -1.54 116.57 131.58 1h4c h LYS 25 Ca -0.19 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1h4c h LYS 25 Cb 1.06 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1h4c h LYS 25 CO 1.16 0.85 0.00 0.78 -2.27 0.00 0.00 179.45 179.97 1h4c h GLY 26 N 1.13 0.00 -0.05 5.01 0.00 -1.87 -1.93 103.07 105.36 1h4c h GLY 26 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1h4c h GLY 26 CO -0.03 0.00 -0.50 1.04 0.00 0.00 0.00 176.54 177.05 1h4c n LEU 27 N -3.08 1.23 -4.72 3.11 4.77 -0.59 -1.42 117.00 116.30 1h4c n LEU 27 Ca -0.01 -0.41 -0.41 0.00 -0.03 0.00 0.00 56.01 55.15 1h4c n LEU 27 Cb 0.21 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1h4c n LEU 27 CO 0.24 0.25 0.96 0.18 -1.33 0.00 0.00 177.39 177.69 1h4c n LEU 28 N -0.76 4.29 -4.70 2.23 4.77 -0.73 -4.68 117.00 117.42 1h4c n LEU 28 Ca 0.09 1.15 -0.35 0.00 -0.03 0.00 0.00 56.01 56.86 1h4c n LEU 28 Cb 0.38 -1.54 -0.09 0.00 -2.33 0.00 0.00 43.42 39.85 1h4c n LEU 28 CO 0.31 -0.39 -0.23 -1.61 -1.33 0.00 0.00 177.39 174.14 1h4c s GLU 29 N -2.19 3.84 -0.22 3.23 2.02 -1.26 -0.18 118.70 123.95 1h4c s GLU 29 Ca 0.59 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 55.27 1h4c s GLU 29 Cb -0.50 -3.22 0.01 0.00 0.10 0.00 0.00 34.13 30.52 1h4c s GLU 29 CO 0.60 0.41 -0.09 -1.17 0.02 0.00 0.00 175.26 175.02 1h4c s LEU 30 N 0.01 2.75 -1.48 1.80 2.96 0.23 -4.61 118.68 120.34 1h4c s LEU 30 Ca 0.07 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1h4c s LEU 30 Cb -0.12 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1h4c s LEU 30 CO 0.00 -0.05 0.31 0.59 -1.32 0.00 0.00 176.35 175.89 1h4c n ASN 31 N 4.71 -0.14 0.00 3.68 3.02 -1.26 -1.69 115.26 123.58 1h4c n ASN 31 Ca -0.18 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 1h4c n ASN 31 Cb 0.49 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.13 1h4c n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h4c n GLY 32 N -2.12 1.88 3.15 7.41 0.00 -1.26 -5.00 105.19 109.25 1h4c n GLY 32 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1h4c n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h4c s LYS 33 N -0.05 2.69 0.33 1.61 2.20 -0.68 -5.01 119.74 120.82 1h4c s LYS 33 Ca 0.00 -0.75 -0.28 0.00 -0.36 0.00 0.00 55.97 54.59 1h4c s LYS 33 Cb 0.00 -2.11 -0.13 0.00 -1.51 0.00 0.00 37.83 34.08 1h4c s LYS 33 CO 0.00 0.07 1.21 -2.30 -0.36 0.00 0.00 175.35 173.97 1h4c n PRO 34 N 3.79 1.89 -0.24 4.03 -0.02 -1.26 -0.60 135.00 142.59 1h4c n PRO 34 Ca -0.20 0.66 0.05 0.00 -2.02 0.00 0.00 63.50 61.99 1h4c n PRO 34 Cb 0.52 -2.19 0.17 0.00 -0.02 0.00 0.00 33.50 31.98 1h4c n PRO 34 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1h4c h LEU 35 N 2.36 0.05 -1.64 2.45 3.38 -0.45 -0.77 115.31 120.70 1h4c h LEU 35 Ca -0.44 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1h4c h LEU 35 Cb 1.30 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1h4c h LEU 35 CO 0.62 -0.01 -0.19 4.11 0.09 0.00 0.00 178.44 183.06 1h4c h TRP 36 N 0.30 0.00 -0.01 1.13 5.08 -1.27 -1.50 115.95 119.68 1h4c h TRP 36 Ca 0.40 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 60.21 1h4c h TRP 36 Cb 0.65 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.80 1h4c h TRP 36 CO -0.24 0.19 -0.73 0.37 -1.28 0.00 0.00 178.44 176.75 1h4c h GLN 37 N 0.00 0.07 -0.53 0.12 5.75 -1.41 0.12 115.11 119.23 1h4c h GLN 37 Ca -0.00 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1h4c h GLN 37 Cb 0.33 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1h4c h GLN 37 CO 0.02 0.76 0.33 0.45 -2.65 0.00 0.00 178.83 177.74 1h4c h HIS 38 N 0.05 0.61 -0.17 3.99 3.86 -0.55 0.14 115.15 123.08 1h4c h HIS 38 Ca -0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1h4c h HIS 38 Cb 1.28 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.55 1h4c h HIS 38 CO 0.01 0.35 0.03 0.28 0.86 0.00 0.00 177.93 179.46 1h4c h VAL 39 N 0.65 1.22 -0.83 2.45 2.07 -1.12 -1.82 116.25 118.87 1h4c h VAL 39 Ca 0.21 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1h4c h VAL 39 Cb 0.01 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1h4c h VAL 39 CO -0.09 0.22 0.55 0.00 0.02 0.00 0.00 177.57 178.27 1h4c h ALA 40 N 0.82 1.06 -0.76 1.67 0.00 -0.54 -0.55 119.26 120.97 1h4c h ALA 40 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1h4c h ALA 40 Cb 0.31 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1h4c h ALA 40 CO 0.00 0.45 0.35 -0.44 0.00 0.00 0.00 179.25 179.62 1h4c h ASP 41 N 1.12 0.99 -0.09 0.00 3.32 -0.66 0.28 116.42 121.38 1h4c h ASP 41 Ca 0.31 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 1h4c h ASP 41 Cb -0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 1h4c h ASP 41 CO -0.07 0.84 -0.33 0.00 -1.72 0.00 0.00 179.24 177.96 1h4c h ALA 42 N 1.31 0.92 -0.44 3.45 0.00 -0.78 -1.64 119.26 122.08 1h4c h ALA 42 Ca 0.26 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1h4c h ALA 42 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1h4c h ALA 42 CO -0.03 0.62 -0.29 -0.07 0.00 0.00 0.00 179.25 179.47 1h4c h LEU 43 N 0.50 1.01 -1.70 0.00 3.38 -0.85 -3.08 115.31 114.57 1h4c h LEU 43 Ca 0.06 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1h4c h LEU 43 Cb 0.81 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1h4c h LEU 43 CO 0.07 1.22 -0.18 0.24 0.09 0.00 0.00 178.44 179.87 1h4c h MET 44 N 0.81 0.00 -0.88 1.13 2.86 -0.56 0.16 114.93 118.46 1h4c h MET 44 Ca 0.09 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.87 1h4c h MET 44 Cb 0.88 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.47 1h4c h MET 44 CO 0.08 0.18 0.57 1.15 1.06 0.00 0.00 176.91 179.95 1h4c h THR 45 N 0.00 0.83 0.00 2.22 2.02 -1.21 -3.25 112.91 113.52 1h4c h THR 45 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1h4c h THR 45 Cb 0.40 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1h4c h THR 45 CO 0.02 0.12 -0.60 0.00 0.37 0.00 0.00 175.52 175.43 1h4c n GLN 46 N -4.55 3.10 -3.89 6.66 10.64 -0.49 -5.01 117.38 123.84 1h4c n GLN 46 Ca 0.17 -0.01 -0.11 0.00 -1.83 0.00 0.00 57.00 55.22 1h4c n GLN 46 Cb 0.48 -1.04 -0.13 0.00 -0.86 0.00 0.00 30.24 28.68 1h4c n GLN 46 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1h4c s LEU 47 N -2.62 2.00 0.17 2.61 1.43 0.46 -5.01 118.68 117.71 1h4c s LEU 47 Ca 0.04 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1h4c s LEU 47 Cb 0.08 0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.38 1h4c s LEU 47 CO 0.46 -0.08 1.39 0.28 0.23 0.00 0.00 176.35 178.62 1h4c h SER 48 N 5.75 0.11 -3.76 2.29 0.02 -1.86 -3.37 113.55 112.74 1h4c h SER 48 Ca -0.26 -0.09 -0.67 0.00 -0.84 0.00 0.00 61.79 59.92 1h4c h SER 48 Cb 1.21 -0.03 -0.36 0.00 0.14 0.00 0.00 62.40 63.36 1h4c h SER 48 CO 0.48 0.93 -0.78 -2.28 -1.14 0.00 0.00 176.83 174.03 1h4c s HIS 49 N -3.10 3.21 -0.02 3.45 5.65 -1.26 -5.05 115.29 118.17 1h4c s HIS 49 Ca -0.01 -2.13 0.03 0.00 0.25 0.00 0.00 55.06 53.20 1h4c s HIS 49 Cb 0.11 -1.97 -0.00 0.00 -1.18 0.00 0.00 32.58 29.53 1h4c s HIS 49 CO 0.81 -0.85 -0.11 0.08 -0.65 0.00 0.00 174.74 174.02 1h4c s VAL 50 N 1.16 0.91 0.32 0.89 1.01 -1.26 -0.85 120.40 122.58 1h4c s VAL 50 Ca -0.06 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1h4c s VAL 50 Cb -0.19 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 1h4c s VAL 50 CO -0.05 0.27 0.08 0.68 0.00 0.00 0.00 175.10 176.08 1h4c s VAL 51 N 0.02 0.96 -0.03 2.92 -7.23 -0.11 -4.52 120.40 112.42 1h4c s VAL 51 Ca -0.01 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1h4c s VAL 51 Cb -0.08 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1h4c s VAL 51 CO 0.00 0.00 -0.08 0.54 -0.31 0.00 0.00 175.10 175.25 1h4c s VAL 52 N -3.40 0.74 -0.35 1.32 0.11 -0.60 -1.17 120.40 117.05 1h4c s VAL 52 Ca 0.35 -0.33 -0.17 0.00 -2.93 0.00 0.00 61.98 58.90 1h4c s VAL 52 Cb 0.08 -0.66 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1h4c s VAL 52 CO 0.15 0.24 0.47 0.21 -3.33 0.00 0.00 175.10 172.83 1h4c s ASN 53 N 0.26 6.27 -0.02 3.54 3.04 0.23 -0.32 114.94 127.95 1h4c s ASN 53 Ca -0.04 -0.11 -0.07 0.00 0.04 0.00 0.00 52.86 52.69 1h4c s ASN 53 Cb -0.09 -2.25 0.01 0.00 -1.54 0.00 0.00 41.25 37.38 1h4c s ASN 53 CO 0.00 -0.45 0.14 0.00 -3.04 0.00 0.00 177.10 173.76 1h4c s ALA 54 N 2.28 -0.35 0.00 1.71 0.00 -0.81 -0.43 121.76 124.16 1h4c s ALA 54 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1h4c s ALA 54 Cb -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1h4c s ALA 54 CO 0.13 -0.16 0.36 0.09 0.00 0.00 0.00 175.76 176.17 1h4c n ASN 55 N 1.99 0.72 -4.10 0.00 3.02 -1.26 -4.12 115.26 111.51 1h4c n ASN 55 Ca -0.19 -1.01 -0.11 0.00 -0.03 0.00 0.00 54.58 53.24 1h4c n ASN 55 Cb 0.57 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.63 1h4c n ASN 55 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1h4c s ARG 56 N -0.01 0.63 -1.48 3.52 0.52 -1.26 -4.89 118.95 115.98 1h4c s ARG 56 Ca 0.00 -1.00 -0.13 0.00 -0.52 0.00 0.00 55.73 54.09 1h4c s ARG 56 Cb 0.00 -0.19 0.10 0.00 0.52 0.00 0.00 34.95 35.38 1h4c s ARG 56 CO 0.00 0.00 0.73 0.72 0.02 0.00 0.00 175.30 176.77 1h4c n HIS 57 N 0.81 -1.95 -0.32 -0.53 8.25 -1.26 -4.83 115.22 115.40 1h4c n HIS 57 Ca -0.18 0.69 0.04 0.00 -0.26 0.00 0.00 57.72 58.01 1h4c n HIS 57 Cb 0.57 -3.33 0.24 0.00 1.12 0.00 0.00 29.99 28.59 1h4c n HIS 57 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1h4c h GLN 58 N -1.47 1.00 -0.61 -0.41 7.50 -1.91 0.14 115.11 119.36 1h4c h GLN 58 Ca -0.52 -0.06 0.04 0.00 0.50 0.00 0.00 58.65 58.61 1h4c h GLN 58 Cb 1.34 -0.23 -0.03 0.00 0.05 0.00 0.00 27.48 28.61 1h4c h GLN 58 CO 0.64 0.66 0.40 0.93 -1.50 0.00 0.00 178.83 179.97 1h4c h GLU 59 N 1.03 0.66 -0.06 1.46 5.08 -1.98 0.16 114.58 120.94 1h4c h GLU 59 Ca 0.41 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1h4c h GLU 59 Cb 0.25 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1h4c h GLU 59 CO -0.16 0.44 -0.09 0.82 -1.00 0.00 0.00 179.01 179.02 1h4c h ILE 60 N 0.68 1.41 -0.66 3.13 1.08 -1.10 -2.98 117.51 119.06 1h4c h ILE 60 Ca 0.25 -1.35 0.07 0.00 -0.39 0.00 0.00 64.86 63.44 1h4c h ILE 60 Cb 0.14 2.17 -0.04 0.00 -3.07 0.00 0.00 36.82 36.02 1h4c h ILE 60 CO -0.07 0.37 0.44 1.88 -0.69 0.00 0.00 178.15 180.08 1h4c h TYR 61 N -0.33 0.64 0.00 1.37 -1.99 -0.85 -1.51 116.97 114.30 1h4c h TYR 61 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1h4c h TYR 61 Cb 0.64 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.16 1h4c h TYR 61 CO 0.11 0.33 0.00 1.96 -0.00 0.00 0.00 178.16 180.56 1h4c h GLN 62 N 0.62 0.00 -0.15 4.88 4.20 -0.55 -3.30 115.11 120.80 1h4c h GLN 62 Ca 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1h4c h GLN 62 Cb 0.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1h4c h GLN 62 CO -0.09 0.00 0.07 0.00 -0.67 0.00 0.00 178.83 178.13 1h4c h ALA 63 N 2.18 1.83 -0.26 3.87 0.00 -1.14 -1.49 119.26 124.26 1h4c h ALA 63 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1h4c h ALA 63 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1h4c h ALA 63 CO 0.00 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 1h4c n SER 64 N -4.48 1.55 0.00 0.00 3.41 -1.24 -4.91 113.62 107.95 1h4c n SER 64 Ca -0.01 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1h4c n SER 64 Cb 0.11 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1h4c n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h4c n GLY 65 N 1.01 0.74 3.90 5.00 0.00 -0.56 -5.06 105.19 110.22 1h4c n GLY 65 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1h4c n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h4c s LEU 66 N 0.00 3.98 0.14 0.99 1.43 -1.26 -5.06 118.68 118.90 1h4c s LEU 66 Ca 0.00 0.78 -0.31 0.00 -1.03 0.00 0.00 54.13 53.57 1h4c s LEU 66 Cb 0.00 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 1h4c s LEU 66 CO 0.00 -0.27 1.48 -0.75 0.23 0.00 0.00 176.35 177.04 1h4c s LYS 67 N -3.76 4.26 -0.22 1.70 2.20 -1.26 -4.72 119.74 117.94 1h4c s LYS 67 Ca 0.45 2.22 -0.08 0.00 -0.36 0.00 0.00 55.97 58.21 1h4c s LYS 67 Cb -0.10 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1h4c s LYS 67 CO 0.32 -0.53 0.07 0.08 -0.36 0.00 0.00 175.35 174.93 1h4c s VAL 68 N 1.18 4.57 -0.20 4.02 1.01 -1.26 -1.56 120.40 128.17 1h4c s VAL 68 Ca 0.67 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 1h4c s VAL 68 Cb -0.40 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1h4c s VAL 68 CO 0.31 0.38 -0.01 -0.63 0.00 0.00 0.00 175.10 175.15 1h4c s ILE 69 N 1.10 3.87 0.08 2.22 1.01 0.57 -4.95 121.20 125.10 1h4c s ILE 69 Ca 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1h4c s ILE 69 Cb -0.14 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1h4c s ILE 69 CO 0.03 0.44 0.26 -1.61 0.00 0.00 0.00 174.94 174.06 1h4c s GLU 70 N 0.95 3.50 0.60 2.79 2.02 -1.26 -1.92 118.70 125.38 1h4c s GLU 70 Ca 0.01 -0.32 -0.19 0.00 0.02 0.00 0.00 54.97 54.49 1h4c s GLU 70 Cb -0.14 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 1h4c s GLU 70 CO 0.02 0.57 1.26 -0.51 0.02 0.00 0.00 175.26 176.61 1h4c s ASP 71 N -2.45 5.06 0.77 -0.19 1.11 -1.26 -4.89 116.67 114.82 1h4c s ASP 71 Ca 0.37 2.53 -0.14 0.00 0.18 0.00 0.00 52.55 55.49 1h4c s ASP 71 Cb -0.13 -2.61 0.06 0.00 1.07 0.00 0.00 42.92 41.31 1h4c s ASP 71 CO 0.26 -1.69 1.19 -0.94 1.18 0.00 0.00 175.17 175.17 1h4c s SER 72 N -1.40 3.93 0.54 0.27 1.04 -1.26 -4.90 113.70 111.91 1h4c s SER 72 Ca 0.77 2.29 0.36 0.00 0.48 0.00 0.00 55.95 59.85 1h4c s SER 72 Cb -0.34 -2.58 1.96 0.00 0.10 0.00 0.00 66.02 65.16 1h4c s SER 72 CO 0.38 -2.44 2.11 0.25 0.98 0.00 0.00 173.24 174.52 1h4c h LEU 73 N -0.71 0.00 -1.98 2.42 6.46 -2.03 -2.26 115.31 117.21 1h4c h LEU 73 Ca -0.46 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 57.47 1h4c h LEU 73 Cb 1.29 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.19 1h4c h LEU 73 CO 0.48 0.00 0.50 0.00 -0.62 0.00 0.00 178.44 178.79 1h4c h ALA 74 N 2.00 2.43 -6.02 1.25 0.00 -2.04 -3.46 119.26 113.43 1h4c h ALA 74 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.48 1h4c h ALA 74 Cb 0.02 0.04 0.07 0.00 0.00 0.00 0.00 17.79 17.92 1h4c h ALA 74 CO 0.00 -0.80 -0.79 -3.47 0.00 0.00 0.00 179.25 174.19 1h4c n ASP 75 N -4.03 -2.43 -4.77 0.00 2.03 -0.85 -4.95 116.55 101.54 1h4c n ASP 75 Ca 0.11 -0.75 -0.34 0.00 0.52 0.00 0.00 54.79 54.34 1h4c n ASP 75 Cb 0.73 -4.31 0.03 0.00 -0.72 0.00 0.00 41.12 36.85 1h4c n ASP 75 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1h4c s TYR 76 N -3.52 2.63 0.21 -0.67 2.02 -1.26 -5.00 117.35 111.76 1h4c s TYR 76 Ca 0.17 1.55 -0.23 0.00 -0.37 0.00 0.00 57.07 58.19 1h4c s TYR 76 Cb -0.08 -3.21 -0.08 0.00 -0.40 0.00 0.00 41.96 38.19 1h4c s TYR 76 CO 0.79 -1.66 0.78 -1.25 -1.57 0.00 0.00 175.55 172.64 1h4c s PRO 77 N -3.86 4.45 0.00 -1.71 0.04 -1.26 -4.71 135.00 127.95 1h4c s PRO 77 Ca 0.69 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1h4c s PRO 77 Cb -0.22 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1h4c s PRO 77 CO 0.37 0.47 0.00 0.41 0.04 0.00 0.00 177.00 178.29 1h4c n GLY 78 N 1.14 -0.79 0.24 0.56 0.00 -1.26 -4.11 105.19 100.97 1h4c n GLY 78 Ca -0.03 -1.70 0.09 0.00 0.00 0.00 0.00 46.02 44.37 1h4c n GLY 78 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1h4c h PRO 79 N 0.00 0.00 0.00 1.61 0.11 -1.94 -2.16 132.00 129.61 1h4c h PRO 79 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1h4c h PRO 79 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1h4c h PRO 79 CO 0.00 0.15 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.77 1h4c h LEU 80 N 0.00 0.00 -0.91 2.35 3.38 -1.86 -2.25 115.31 116.01 1h4c h LEU 80 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1h4c h LEU 80 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1h4c h LEU 80 CO 0.02 0.09 0.06 0.00 0.09 0.00 0.00 178.44 178.71 1h4c h ALA 81 N 1.91 1.11 -0.18 1.53 0.00 -1.54 -0.72 119.26 121.37 1h4c h ALA 81 Ca -0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1h4c h ALA 81 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h4c h ALA 81 CO 0.01 0.58 -0.68 0.78 0.00 0.00 0.00 179.25 179.94 1h4c h GLY 82 N 0.99 0.80 0.74 0.00 0.00 -1.55 -0.57 103.07 103.49 1h4c h GLY 82 Ca 0.17 -1.06 0.03 0.00 0.00 0.00 0.00 47.33 46.47 1h4c h GLY 82 CO 0.01 0.94 0.07 -0.33 0.00 0.00 0.00 176.54 177.24 1h4c h MET 83 N 0.52 0.18 -0.46 4.80 2.07 -1.20 -1.14 114.93 119.71 1h4c h MET 83 Ca -0.02 -0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.54 1h4c h MET 83 Cb 1.29 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.96 1h4c h MET 83 CO 0.14 0.12 0.08 1.25 1.07 0.00 0.00 176.91 179.57 1h4c h LEU 84 N 0.18 0.72 -0.92 1.22 5.85 -0.99 -1.14 115.31 120.22 1h4c h LEU 84 Ca 0.12 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1h4c h LEU 84 Cb 0.11 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1h4c h LEU 84 CO -0.14 0.79 0.61 0.28 -0.34 0.00 0.00 178.44 179.63 1h4c h SER 85 N 0.62 1.03 -0.27 1.25 0.02 -0.80 0.38 113.55 115.78 1h4c h SER 85 Ca 0.14 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1h4c h SER 85 Cb 0.37 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1h4c h SER 85 CO 0.01 0.73 0.11 0.58 -1.14 0.00 0.00 176.83 177.12 1h4c h VAL 86 N 1.21 1.17 -0.23 2.27 2.07 -1.04 -2.58 116.25 119.12 1h4c h VAL 86 Ca 0.35 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1h4c h VAL 86 Cb -0.08 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1h4c h VAL 86 CO -0.09 0.18 0.08 0.24 0.02 0.00 0.00 177.57 177.99 1h4c h MET 87 N 0.29 0.32 0.00 1.57 2.07 -0.53 -1.00 114.93 117.65 1h4c h MET 87 Ca 0.09 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1h4c h MET 87 Cb 0.17 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 29.84 1h4c h MET 87 CO -0.01 0.29 0.00 1.96 1.07 0.00 0.00 176.91 180.22 1h4c h GLN 88 N 0.33 0.00 -0.04 1.72 4.20 -0.74 -3.29 115.11 117.28 1h4c h GLN 88 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1h4c h GLN 88 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1h4c h GLN 88 CO -0.01 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.19 1h4c n GLN 89 N -2.75 1.20 -4.10 1.46 6.02 -0.64 -4.99 117.38 113.58 1h4c n GLN 89 Ca 0.02 -1.15 -0.16 0.00 -0.01 0.00 0.00 57.00 55.71 1h4c n GLN 89 Cb 0.34 -1.06 -0.15 0.00 1.02 0.00 0.00 30.24 30.40 1h4c n GLN 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1h4c s GLU 90 N -0.61 0.37 0.79 -1.09 0.41 -0.47 -5.06 118.70 113.03 1h4c s GLU 90 Ca 0.04 -0.13 -0.09 0.00 -0.41 0.00 0.00 54.97 54.38 1h4c s GLU 90 Cb 0.02 -0.37 0.11 0.00 -1.78 0.00 0.00 34.13 32.11 1h4c s GLU 90 CO 0.03 0.07 1.11 0.00 -0.49 0.00 0.00 175.26 175.98 1h4c s ALA 91 N 0.03 2.93 0.00 5.21 0.00 -1.26 -4.73 121.76 123.95 1h4c s ALA 91 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1h4c s ALA 91 Cb -0.03 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1h4c s ALA 91 CO -0.00 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.50 1h4c n GLY 92 N -3.18 2.50 0.09 0.00 0.00 -1.26 -4.89 105.19 98.45 1h4c n GLY 92 Ca 0.11 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.42 1h4c n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h4c n GLU 93 N 1.22 0.62 -4.18 1.61 1.02 -1.26 -4.71 120.64 114.96 1h4c n GLU 93 Ca 0.00 0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 57.09 1h4c n GLU 93 Cb 0.00 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 29.53 1h4c n GLU 93 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1h4c s TRP 94 N -3.15 0.80 0.02 -0.32 0.52 -1.20 0.04 118.94 115.64 1h4c s TRP 94 Ca -0.03 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.79 1h4c s TRP 94 Cb 0.10 -0.48 -0.02 0.00 -1.15 0.00 0.00 33.47 31.92 1h4c s TRP 94 CO 0.82 -0.03 -0.14 -0.06 0.02 0.00 0.00 176.95 177.56 1h4c s PHE 95 N -0.90 1.27 -0.32 -1.98 0.40 -0.17 -1.10 117.98 115.18 1h4c s PHE 95 Ca -0.03 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1h4c s PHE 95 Cb -0.07 -0.78 0.08 0.00 0.51 0.00 0.00 43.02 42.75 1h4c s PHE 95 CO 0.01 0.01 0.01 -1.17 0.70 0.00 0.00 175.22 174.78 1h4c s LEU 96 N -0.76 4.21 0.24 -0.37 2.96 -0.02 -0.32 118.68 124.61 1h4c s LEU 96 Ca 0.04 -1.65 -0.14 0.00 -0.22 0.00 0.00 54.13 52.15 1h4c s LEU 96 Cb -0.07 -1.66 -0.08 0.00 0.50 0.00 0.00 46.19 44.88 1h4c s LEU 96 CO 0.00 -0.32 0.65 -0.36 -1.32 0.00 0.00 176.35 175.00 1h4c s PHE 97 N 1.10 3.49 -0.18 5.38 0.08 0.22 -0.41 117.98 127.67 1h4c s PHE 97 Ca -0.00 1.13 -0.12 0.00 0.12 0.00 0.00 56.93 58.06 1h4c s PHE 97 Cb -0.20 -2.45 0.06 0.00 -0.57 0.00 0.00 43.02 39.86 1h4c s PHE 97 CO -0.04 0.26 0.45 0.00 -0.10 0.00 0.00 175.22 175.79 1h4c s PRO 99 N 0.97 1.63 0.00 0.00 0.04 -1.26 -0.66 135.00 135.72 1h4c s PRO 99 Ca -0.06 1.30 0.27 0.00 0.04 0.00 0.00 61.00 62.55 1h4c s PRO 99 Cb -0.06 -1.82 1.52 0.00 0.04 0.00 0.00 34.50 34.19 1h4c s PRO 99 CO -0.08 -2.13 1.93 0.00 0.04 0.00 0.00 177.00 176.76 1h4c n ASP 101 N -1.07 3.57 -3.73 0.00 5.68 -1.26 -3.46 116.55 116.27 1h4c n ASP 101 Ca 0.18 -2.35 -0.28 0.00 -0.50 0.00 0.00 54.79 51.84 1h4c n ASP 101 Cb 0.12 -0.39 -0.11 0.00 -1.14 0.00 0.00 41.12 39.60 1h4c n ASP 101 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1h4c n THR 102 N 0.41 1.52 0.88 2.12 -2.24 -1.23 -0.71 114.28 115.02 1h4c n THR 102 Ca 0.17 -4.81 0.11 0.00 -2.27 0.00 0.00 64.05 57.25 1h4c n THR 102 Cb 0.64 -2.12 0.51 0.00 -2.10 0.00 0.00 70.33 67.26 1h4c n THR 102 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1h4c n PRO 103 N 1.76 0.12 -0.56 -0.78 -0.04 -1.26 -3.36 135.00 130.88 1h4c n PRO 103 Ca 0.23 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.87 1h4c n PRO 103 Cb 0.38 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.64 1h4c n PRO 103 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1h4c n TYR 104 N -1.42 1.27 -1.73 0.54 4.01 -1.26 -4.57 117.16 114.01 1h4c n TYR 104 Ca 0.07 -0.74 -0.39 0.00 -0.16 0.00 0.00 57.90 56.68 1h4c n TYR 104 Cb 0.23 -0.31 0.03 0.00 -0.31 0.00 0.00 39.34 38.97 1h4c n TYR 104 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1h4c n ILE 105 N 0.22 3.23 -2.52 -0.72 -5.35 -1.09 -4.60 119.36 108.53 1h4c n ILE 105 Ca 0.23 -0.50 -0.28 0.00 -0.27 0.00 0.00 62.75 61.93 1h4c n ILE 105 Cb 0.91 -1.66 0.00 0.00 -1.74 0.00 0.00 39.64 37.15 1h4c n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1h4c s PRO 106 N -2.59 3.47 0.00 6.28 0.04 -1.26 -4.92 135.00 136.01 1h4c s PRO 106 Ca 0.66 0.23 0.21 0.00 0.04 0.00 0.00 61.00 62.15 1h4c s PRO 106 Cb -0.45 -2.33 1.03 0.00 0.04 0.00 0.00 34.50 32.79 1h4c s PRO 106 CO 0.53 -0.31 1.67 -0.35 0.04 0.00 0.00 177.00 178.58 1h4c n PRO 107 N -2.36 0.24 -0.66 0.56 -0.04 -1.26 -2.27 135.00 129.21 1h4c n PRO 107 Ca 0.02 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 1h4c n PRO 107 Cb 0.55 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.82 1h4c n PRO 107 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1h4c n ASP 108 N -1.33 4.54 0.29 3.54 5.75 -1.26 -4.69 116.55 123.39 1h4c n ASP 108 Ca 0.09 -3.04 -0.16 0.00 -0.01 0.00 0.00 54.79 51.66 1h4c n ASP 108 Cb 0.18 -0.61 -0.08 0.00 -1.03 0.00 0.00 41.12 39.58 1h4c n ASP 108 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1h4c h LEU 109 N 2.58 -0.81 -0.47 -2.12 5.85 -1.85 0.48 115.31 118.96 1h4c h LEU 109 Ca 0.03 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1h4c h LEU 109 Cb 1.71 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.96 1h4c h LEU 109 CO 0.37 -0.49 0.21 0.00 -0.34 0.00 0.00 178.44 178.18 1h4c h ALA 110 N -0.34 0.61 -0.57 1.25 0.00 -1.85 -1.74 119.26 116.62 1h4c h ALA 110 Ca -0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1h4c h ALA 110 Cb 0.64 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1h4c h ALA 110 CO 0.05 0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.63 1h4c h ALA 111 N 1.06 0.76 -0.17 0.00 0.00 -1.82 -0.34 119.26 118.74 1h4c h ALA 111 Ca 0.16 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1h4c h ALA 111 Cb 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1h4c h ALA 111 CO -0.02 0.46 -0.59 -0.09 0.00 0.00 0.00 179.25 179.01 1h4c h ARG 112 N 0.82 0.71 -0.59 0.00 2.43 -0.88 0.22 114.38 117.09 1h4c h ARG 112 Ca 0.18 -0.53 0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1h4c h ARG 112 Cb 0.34 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1h4c h ARG 112 CO 0.00 1.15 0.39 -0.07 -1.51 0.00 0.00 179.97 179.93 1h4c h LEU 113 N 0.40 0.67 -0.72 3.80 3.38 -1.23 -1.42 115.31 120.20 1h4c h LEU 113 Ca -0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1h4c h LEU 113 Cb 1.22 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1h4c h LEU 113 CO 0.13 0.49 0.28 -1.13 0.09 0.00 0.00 178.44 178.29 1h4c h ASN 114 N 0.80 1.00 -0.02 -0.43 -0.73 -0.95 -2.13 115.58 113.11 1h4c h ASN 114 Ca 0.21 -0.18 -0.06 0.00 1.87 0.00 0.00 56.30 58.15 1h4c h ASN 114 Cb -0.09 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.23 1h4c h ASN 114 CO -0.05 0.90 -0.15 -0.74 -0.37 0.00 0.00 177.43 177.03 1h4c h HIS 115 N 1.03 0.35 -0.26 0.67 2.76 -0.54 -2.75 115.15 116.41 1h4c h HIS 115 Ca 0.24 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1h4c h HIS 115 Cb 0.22 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1h4c h HIS 115 CO 0.02 0.47 0.00 1.04 -1.30 0.00 0.00 177.93 178.16 1h4c n GLN 116 N -4.23 2.25 -0.02 5.26 1.13 -0.57 -4.43 117.38 116.78 1h4c n GLN 116 Ca -0.00 -1.88 -0.02 0.00 -1.94 0.00 0.00 57.00 53.16 1h4c n GLN 116 Cb 0.30 -1.48 0.25 0.00 0.11 0.00 0.00 30.24 29.42 1h4c n GLN 116 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1h4c h ARG 117 N 3.86 0.56 -6.59 -1.09 2.43 -1.07 -3.47 114.38 109.02 1h4c h ARG 117 Ca 0.00 -0.15 -0.52 0.00 -0.81 0.00 0.00 59.98 58.50 1h4c h ARG 117 Cb 0.84 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 1h4c h ARG 117 CO 0.00 0.64 -0.92 1.63 -1.51 0.00 0.00 179.97 179.81 1h4c n LYS 118 N -4.23 -2.40 -0.22 0.20 5.02 -1.26 -1.39 118.16 113.88 1h4c n LYS 118 Ca 0.01 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1h4c n LYS 118 Cb 0.30 -4.17 0.00 0.00 -0.02 0.00 0.00 35.03 31.14 1h4c n LYS 118 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1h4c n ASP 119 N -2.87 0.00 -4.78 4.39 9.92 -1.26 -5.03 116.55 116.93 1h4c n ASP 119 Ca -0.27 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.63 1h4c n ASP 119 Cb 0.67 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.80 1h4c n ASP 119 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h4c s ALA 120 N -2.83 2.97 -0.95 2.24 0.00 -0.48 -4.97 121.76 117.74 1h4c s ALA 120 Ca 0.00 0.78 0.28 0.00 0.00 0.00 0.00 51.96 53.02 1h4c s ALA 120 Cb 0.00 -3.32 1.15 0.00 0.00 0.00 0.00 23.12 20.95 1h4c s ALA 120 CO 0.00 -0.45 1.89 -0.35 0.00 0.00 0.00 175.76 176.85 1h4c n PRO 121 N -0.51 0.05 -3.74 0.00 -0.04 -1.26 -4.82 135.00 124.68 1h4c n PRO 121 Ca 0.07 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1h4c n PRO 121 Cb 0.50 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 1h4c n PRO 121 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1h4c s VAL 122 N -3.02 -0.00 0.05 0.52 1.01 -1.26 -0.89 120.40 116.81 1h4c s VAL 122 Ca 0.13 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1h4c s VAL 122 Cb 0.18 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1h4c s VAL 122 CO 0.55 0.01 -0.05 0.68 0.00 0.00 0.00 175.10 176.28 1h4c s VAL 123 N 0.35 0.37 0.18 2.92 -7.23 -0.73 -2.73 120.40 113.52 1h4c s VAL 123 Ca -0.01 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1h4c s VAL 123 Cb -0.03 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1h4c s VAL 123 CO -0.01 -0.71 0.13 -1.66 -0.31 0.00 0.00 175.10 172.54 1h4c s TRP 124 N -2.68 1.00 0.05 2.82 -2.14 -0.96 -0.85 118.94 116.18 1h4c s TRP 124 Ca -0.01 -1.28 -0.27 0.00 2.66 0.00 0.00 56.10 57.20 1h4c s TRP 124 Cb -0.01 -0.48 -0.05 0.00 -3.10 0.00 0.00 33.47 29.83 1h4c s TRP 124 CO -0.04 -0.63 0.84 0.08 -2.66 0.00 0.00 176.95 174.54 1h4c s VAL 125 N -4.11 4.70 -0.10 -0.66 1.01 -0.89 0.09 120.40 120.44 1h4c s VAL 125 Ca 0.33 1.79 0.03 0.00 0.00 0.00 0.00 61.98 64.13 1h4c s VAL 125 Cb 0.07 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1h4c s VAL 125 CO 0.08 0.32 -0.20 -2.28 0.00 0.00 0.00 175.10 173.03 1h4c s HIS 126 N 0.14 2.64 -2.33 5.22 2.46 -0.30 -0.04 115.29 123.06 1h4c s HIS 126 Ca 0.42 -0.77 0.23 0.00 0.47 0.00 0.00 55.06 55.41 1h4c s HIS 126 Cb -0.21 -1.73 0.46 0.00 -0.13 0.00 0.00 32.58 30.97 1h4c s HIS 126 CO 0.25 -0.25 1.42 -0.40 -2.47 0.00 0.00 174.74 173.28 1h4c n ASP 127 N 3.30 3.54 0.00 9.88 5.68 -0.53 -0.15 116.55 138.27 1h4c n ASP 127 Ca -0.18 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 1h4c n ASP 127 Cb 0.53 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1h4c n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h4c n GLY 128 N 1.50 2.75 0.14 6.12 0.00 -1.26 -3.92 105.19 110.51 1h4c n GLY 128 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1h4c n GLY 128 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h4c n GLU 129 N -0.72 0.30 -3.84 1.61 0.00 -1.26 -5.05 120.64 111.68 1h4c n GLU 129 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 57.16 57.14 1h4c n GLU 129 Cb 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 31.44 30.16 1h4c n GLU 129 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1h4c s ARG 130 N -2.25 0.77 0.42 5.31 1.70 -1.26 -5.14 118.95 118.50 1h4c s ARG 130 Ca -0.17 -0.75 -0.24 0.00 -0.47 0.00 0.00 55.73 54.10 1h4c s ARG 130 Cb 0.05 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 1h4c s ARG 130 CO 0.28 -0.23 1.13 -0.51 -1.08 0.00 0.00 175.30 174.88 1h4c s ASP 131 N -2.40 6.49 -0.67 -2.89 1.01 -1.26 -1.45 116.67 115.49 1h4c s ASP 131 Ca -0.01 2.23 0.05 0.00 0.71 0.00 0.00 52.55 55.53 1h4c s ASP 131 Cb 0.01 -2.60 0.19 0.00 1.01 0.00 0.00 42.92 41.53 1h4c s ASP 131 CO -0.07 -0.69 0.55 1.41 0.21 0.00 0.00 175.17 176.58 1h4c n HIS 132 N -0.16 3.04 0.64 4.23 8.25 0.94 -4.97 115.22 127.19 1h4c n HIS 132 Ca 0.05 -4.21 0.08 0.00 -0.26 0.00 0.00 57.72 53.39 1h4c n HIS 132 Cb 0.48 -0.55 0.37 0.00 1.12 0.00 0.00 29.99 31.41 1h4c n HIS 132 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1h4c n PRO 133 N 1.74 0.08 0.00 -0.41 -0.04 -1.26 -1.38 135.00 133.72 1h4c n PRO 133 Ca 0.23 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 1h4c n PRO 133 Cb 0.37 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.70 1h4c n PRO 133 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1h4c n THR 134 N -1.43 0.00 -3.38 0.52 -2.24 -1.26 -4.49 114.28 102.00 1h4c n THR 134 Ca 0.05 -0.26 -0.45 0.00 -2.27 0.00 0.00 64.05 61.12 1h4c n THR 134 Cb 0.17 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 1h4c n THR 134 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h4c s ILE 135 N -2.17 5.22 -0.07 2.28 1.01 -0.48 -3.55 121.20 123.44 1h4c s ILE 135 Ca 0.31 -2.19 -0.06 0.00 0.00 0.00 0.00 60.65 58.71 1h4c s ILE 135 Cb 0.20 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.41 1h4c s ILE 135 CO 0.40 -0.95 0.18 0.00 0.00 0.00 0.00 174.94 174.57 1h4c s ALA 136 N 0.64 -0.43 -0.27 9.38 0.00 -0.88 -2.10 121.76 128.11 1h4c s ALA 136 Ca 0.13 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.55 1h4c s ALA 136 Cb -0.18 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1h4c s ALA 136 CO -0.04 -0.10 0.15 -1.17 0.00 0.00 0.00 175.76 174.59 1h4c s LEU 137 N 0.31 3.84 -0.06 0.00 2.96 -0.03 -0.61 118.68 125.10 1h4c s LEU 137 Ca -0.02 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1h4c s LEU 137 Cb -0.03 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1h4c s LEU 137 CO -0.01 -0.03 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.19 1h4c s VAL 138 N 1.65 1.01 0.33 1.68 1.01 0.56 -1.78 120.40 124.85 1h4c s VAL 138 Ca 0.07 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 1h4c s VAL 138 Cb -0.16 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 1h4c s VAL 138 CO 0.08 0.32 0.80 0.21 0.00 0.00 0.00 175.10 176.52 1h4c s ASN 139 N 0.64 6.91 0.39 3.32 3.84 -0.07 -0.99 114.94 128.99 1h4c s ASN 139 Ca -0.13 1.45 0.27 0.00 0.21 0.00 0.00 52.86 54.66 1h4c s ASN 139 Cb -0.15 -2.44 1.37 0.00 -0.55 0.00 0.00 41.25 39.49 1h4c s ASN 139 CO 0.03 -0.19 1.51 -1.14 -2.79 0.00 0.00 177.10 174.51 1h4c n ARG 140 N -0.16 -0.04 0.34 0.43 3.00 0.11 -1.51 116.66 118.82 1h4c n ARG 140 Ca 0.03 1.25 0.20 0.00 -0.00 0.00 0.00 57.85 59.34 1h4c n ARG 140 Cb 0.53 -2.37 1.08 0.00 0.00 0.00 0.00 32.46 31.69 1h4c n ARG 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1h4c h ALA 141 N 1.69 1.12 0.00 5.13 0.00 -1.93 -0.52 119.26 124.76 1h4c h ALA 141 Ca 0.83 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.68 1h4c h ALA 141 Cb 2.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 1h4c h ALA 141 CO -0.57 -0.12 -0.30 0.82 0.00 0.00 0.00 179.25 179.08 1h4c h ILE 142 N 0.00 0.65 -0.15 0.00 1.08 -1.62 -3.36 117.51 114.11 1h4c h ILE 142 Ca 0.00 -1.41 0.05 0.00 -0.39 0.00 0.00 64.86 63.11 1h4c h ILE 142 Cb 0.24 1.94 -0.06 0.00 -3.07 0.00 0.00 36.82 35.87 1h4c h ILE 142 CO 0.00 0.29 -0.28 -0.08 -0.69 0.00 0.00 178.15 177.40 1h4c h GLU 143 N 0.00 -0.32 -0.47 2.37 4.81 -1.29 -0.12 114.58 119.56 1h4c h GLU 143 Ca -0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1h4c h GLU 143 Cb 0.91 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1h4c h GLU 143 CO 0.04 -0.22 0.21 -1.35 -0.73 0.00 0.00 179.01 176.97 1h4c h PRO 144 N -0.34 0.66 -0.41 0.92 0.11 -1.80 -0.12 132.00 131.02 1h4c h PRO 144 Ca 0.11 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 1h4c h PRO 144 Cb 0.50 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1h4c h PRO 144 CO -0.34 0.52 -0.06 1.25 -0.21 0.00 0.00 178.00 179.16 1h4c h LEU 145 N 0.66 0.77 -0.55 2.35 5.85 -1.52 -1.47 115.31 121.40 1h4c h LEU 145 Ca 0.16 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1h4c h LEU 145 Cb 0.09 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1h4c h LEU 145 CO -0.02 0.93 0.25 0.25 -0.34 0.00 0.00 178.44 179.51 1h4c h LEU 146 N 0.60 0.73 -0.42 2.25 5.85 -0.79 0.40 115.31 123.93 1h4c h LEU 146 Ca 0.11 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1h4c h LEU 146 Cb 0.58 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1h4c h LEU 146 CO 0.03 0.67 0.21 0.25 -0.34 0.00 0.00 178.44 179.27 1h4c h LEU 147 N 0.74 0.55 -0.60 2.25 5.85 -0.90 -0.80 115.31 122.40 1h4c h LEU 147 Ca 0.19 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1h4c h LEU 147 Cb 0.15 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1h4c h LEU 147 CO -0.02 0.51 0.23 -0.08 -0.34 0.00 0.00 178.44 178.74 1h4c h GLU 148 N 0.55 0.89 -0.38 1.25 4.81 -0.95 0.32 114.58 121.07 1h4c h GLU 148 Ca 0.15 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1h4c h GLU 148 Cb 0.10 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1h4c h GLU 148 CO -0.02 0.77 0.14 -0.92 -0.73 0.00 0.00 179.01 178.25 1h4c h TYR 149 N 0.83 0.59 -0.30 0.92 3.20 -0.65 -1.49 116.97 120.07 1h4c h TYR 149 Ca 0.20 -0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.85 1h4c h TYR 149 Cb 0.21 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1h4c h TYR 149 CO 0.01 0.54 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.52 1h4c h LEU 150 N 0.47 0.88 -1.96 2.82 3.38 -1.04 -2.55 115.31 117.31 1h4c h LEU 150 Ca 0.13 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1h4c h LEU 150 Cb 0.21 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1h4c h LEU 150 CO -0.01 1.21 -0.05 1.56 0.09 0.00 0.00 178.44 181.24 1h4c h GLN 151 N 0.64 0.00 0.00 1.13 4.20 -0.84 -0.86 115.11 119.37 1h4c h GLN 151 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1h4c h GLN 151 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1h4c h GLN 151 CO 0.11 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 178.32 1h4c n ALA 152 N -2.49 1.99 -0.39 3.87 0.00 -0.57 -4.87 120.51 118.04 1h4c n ALA 152 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1h4c n ALA 152 Cb 0.14 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1h4c n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4c n GLY 153 N 0.40 0.79 3.88 0.00 0.00 -0.33 -5.07 105.19 104.86 1h4c n GLY 153 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1h4c n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h4c s GLU 154 N -0.61 3.63 0.00 1.61 0.41 -0.99 -5.01 118.70 117.74 1h4c s GLU 154 Ca 0.00 0.58 0.00 0.00 -0.41 0.00 0.00 54.97 55.14 1h4c s GLU 154 Cb 0.00 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 1h4c s GLU 154 CO 0.00 -0.38 0.00 2.89 -0.49 0.00 0.00 175.26 177.28 1h4c n ARG 155 N -2.36 4.20 -2.23 1.61 1.85 -1.26 -4.48 116.66 113.98 1h4c n ARG 155 Ca 0.04 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.47 1h4c n ARG 155 Cb 0.54 -0.50 -0.03 0.00 -1.05 0.00 0.00 32.46 31.43 1h4c n ARG 155 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1h4c s ARG 156 N -0.34 4.26 -0.01 2.89 0.52 -1.26 -4.78 118.95 120.23 1h4c s ARG 156 Ca 0.00 1.94 -0.23 0.00 -0.52 0.00 0.00 55.73 56.91 1h4c s ARG 156 Cb 0.00 -3.69 -0.15 0.00 0.52 0.00 0.00 34.95 31.64 1h4c s ARG 156 CO 0.00 -0.64 1.06 0.28 0.02 0.00 0.00 175.30 176.02 1h4c h VAL 157 N 5.15 0.48 -0.88 3.52 2.07 -1.99 -2.51 116.25 122.11 1h4c h VAL 157 Ca -0.36 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 66.58 1h4c h VAL 157 Cb 1.16 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1h4c h VAL 157 CO 0.92 0.09 0.56 0.24 0.02 0.00 0.00 177.57 179.41 1h4c h MET 158 N -0.93 1.04 -0.78 1.57 2.86 -1.94 -0.75 114.93 116.01 1h4c h MET 158 Ca -0.05 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1h4c h MET 158 Cb 0.54 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1h4c h MET 158 CO 0.08 0.69 0.50 0.28 1.06 0.00 0.00 176.91 179.52 1h4c h VAL 159 N 1.08 1.13 -0.38 -2.22 2.07 -1.97 -1.10 116.25 114.86 1h4c h VAL 159 Ca 0.36 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1h4c h VAL 159 Cb 0.05 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1h4c h VAL 159 CO -0.13 0.18 0.08 0.15 0.02 0.00 0.00 177.57 177.86 1h4c h PHE 160 N 0.98 0.65 -0.57 1.57 3.57 -0.90 -0.23 116.94 122.02 1h4c h PHE 160 Ca 0.31 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1h4c h PHE 160 Cb -0.01 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1h4c h PHE 160 CO -0.03 0.65 0.38 0.52 -2.23 0.00 0.00 178.31 177.60 1h4c h MET 161 N 0.47 0.72 -0.08 1.11 2.86 -0.62 0.11 114.93 119.51 1h4c h MET 161 Ca 0.12 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1h4c h MET 161 Cb 0.34 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1h4c h MET 161 CO 0.00 0.48 -0.08 0.00 1.06 0.00 0.00 176.91 178.37 1h4c h ARG 162 N 0.75 0.19 -0.63 1.72 3.08 -0.92 -0.59 114.38 117.97 1h4c h ARG 162 Ca 0.21 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.25 1h4c h ARG 162 Cb -0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1h4c h ARG 162 CO -0.05 0.63 0.42 1.25 -1.07 0.00 0.00 179.97 181.15 1h4c h LEU 163 N -0.23 0.44 0.00 3.04 5.85 -0.49 -1.41 115.31 122.50 1h4c h LEU 163 Ca 0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1h4c h LEU 163 Cb 0.59 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1h4c h LEU 163 CO 0.02 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 178.39 1h4c n ALA 164 N -2.50 2.40 -1.04 1.25 0.00 0.35 -4.89 120.51 116.08 1h4c n ALA 164 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1h4c n ALA 164 Cb 0.34 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1h4c n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4c n GLY 165 N 1.22 0.80 3.94 0.00 0.00 -0.53 -4.72 105.19 105.89 1h4c n GLY 165 Ca 0.12 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 1h4c n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h4c s GLY 166 N -2.65 1.72 0.05 -0.02 0.00 -0.24 -4.58 107.32 101.59 1h4c s GLY 166 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 44.72 43.51 1h4c s GLY 166 CO 0.00 -0.55 0.20 -2.38 0.00 0.00 0.00 173.10 170.37 1h4c s HIS 167 N -3.48 0.06 0.38 1.90 -3.43 -1.11 -4.79 115.29 104.83 1h4c s HIS 167 Ca 0.66 -0.32 -0.25 0.00 -0.80 0.00 0.00 55.06 54.35 1h4c s HIS 167 Cb -0.08 -0.03 -0.09 0.00 -1.43 0.00 0.00 32.58 30.96 1h4c s HIS 167 CO 0.48 -0.46 1.10 0.00 -2.00 0.00 0.00 174.74 173.86 1h4c s ALA 168 N -2.82 3.15 -0.14 -1.38 0.00 -1.26 -2.27 121.76 117.05 1h4c s ALA 168 Ca -0.03 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 1h4c s ALA 168 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1h4c s ALA 168 CO -0.05 -0.33 -0.09 0.08 0.00 0.00 0.00 175.76 175.36 1h4c s VAL 169 N -1.49 3.39 -0.44 0.00 1.01 0.11 -4.88 120.40 118.10 1h4c s VAL 169 Ca 0.56 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1h4c s VAL 169 Cb -0.27 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1h4c s VAL 169 CO 0.34 0.51 1.16 -0.62 0.00 0.00 0.00 175.10 176.49 1h4c s ASP 170 N 0.31 6.66 -0.23 3.32 -1.08 -1.26 -1.16 116.67 123.23 1h4c s ASP 170 Ca -0.08 0.63 0.12 0.00 -0.52 0.00 0.00 52.55 52.70 1h4c s ASP 170 Cb -0.15 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.23 1h4c s ASP 170 CO 0.05 -1.20 1.38 0.49 0.52 0.00 0.00 175.17 176.40 1h4c n PHE 171 N 7.76 0.74 0.26 -5.34 3.01 0.78 -4.76 117.46 119.92 1h4c n PHE 171 Ca 0.12 -1.35 0.18 0.00 1.01 0.00 0.00 57.45 57.42 1h4c n PHE 171 Cb 0.48 -0.37 0.92 0.00 -0.01 0.00 0.00 39.48 40.50 1h4c n PHE 171 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1h4c h SER 172 N 1.04 0.00 -0.00 4.37 4.64 -1.68 -0.99 113.55 120.93 1h4c h SER 172 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1h4c h SER 172 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1h4c h SER 172 CO 0.24 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.30 1h4c n ASP 173 N -3.52 0.10 -4.28 4.97 5.75 -1.26 -4.45 116.55 113.86 1h4c n ASP 173 Ca -0.00 -1.09 -0.45 0.00 -0.01 0.00 0.00 54.79 53.24 1h4c n ASP 173 Cb 0.26 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 1h4c n ASP 173 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1h4c s HIS 174 N -2.00 3.69 -0.16 2.11 3.76 -0.38 -4.99 115.29 117.32 1h4c s HIS 174 Ca 0.45 -2.16 -0.29 0.00 -0.15 0.00 0.00 55.06 52.90 1h4c s HIS 174 Cb 0.21 -3.68 -0.07 0.00 1.11 0.00 0.00 32.58 30.15 1h4c s HIS 174 CO 0.35 -0.96 2.15 1.17 -0.85 0.00 0.00 174.74 176.60 1h4c n LYS 175 N 3.84 2.12 -0.95 1.40 3.00 -1.26 -3.04 118.16 123.27 1h4c n LYS 175 Ca 0.13 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 59.09 1h4c n LYS 175 Cb 0.45 -3.10 0.00 0.00 0.00 0.00 0.00 35.03 32.38 1h4c n LYS 175 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1h4c n ASP 176 N 10.36 -3.71 0.18 3.14 8.00 -1.26 -4.83 116.55 128.43 1h4c n ASP 176 Ca 0.28 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.92 1h4c n ASP 176 Cb 0.42 -1.89 0.58 0.00 -0.02 0.00 0.00 41.12 40.21 1h4c n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h4c h ALA 177 N 0.00 1.00 -0.15 2.24 0.00 -1.79 -3.14 119.26 117.42 1h4c h ALA 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h4c h ALA 177 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1h4c h ALA 177 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1h4c n PHE 178 N -2.48 0.42 -1.86 0.00 3.72 -1.26 -2.68 117.46 113.33 1h4c n PHE 178 Ca 0.01 -0.80 -0.40 0.00 -0.05 0.00 0.00 57.45 56.21 1h4c n PHE 178 Cb 0.22 -0.18 0.01 0.00 -0.94 0.00 0.00 39.48 38.59 1h4c n PHE 178 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1h4c s VAL 179 N -2.28 2.19 0.21 -4.37 -7.23 -1.19 -4.98 120.40 102.74 1h4c s VAL 179 Ca 0.30 0.17 0.11 0.00 -1.81 0.00 0.00 61.98 60.75 1h4c s VAL 179 Cb 0.24 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1h4c s VAL 179 CO 0.07 0.03 -0.20 0.54 -0.31 0.00 0.00 175.10 175.22 1h4c s ASN 180 N -0.51 3.62 -0.54 4.85 4.22 -1.26 -4.39 114.94 120.93 1h4c s ASN 180 Ca 0.59 -0.84 -0.20 0.00 -2.14 0.00 0.00 52.86 50.27 1h4c s ASN 180 Cb -0.43 -0.35 0.06 0.00 1.28 0.00 0.00 41.25 41.81 1h4c s ASN 180 CO 0.55 0.10 0.70 -0.69 -2.04 0.00 0.00 177.10 175.73 1h4c s VAL 181 N -1.81 4.76 0.07 3.54 1.01 0.11 -4.93 120.40 123.15 1h4c s VAL 181 Ca 0.23 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1h4c s VAL 181 Cb -0.08 -4.39 -0.28 0.00 0.00 0.00 0.00 36.38 31.63 1h4c s VAL 181 CO 0.12 -0.94 1.13 0.78 0.00 0.00 0.00 175.10 176.18 1h4c h ASN 182 N 9.11 0.73 -5.34 3.32 2.35 -1.95 -3.46 115.58 120.33 1h4c h ASN 182 Ca -0.28 -0.70 -0.15 0.00 -0.55 0.00 0.00 56.30 54.63 1h4c h ASN 182 Cb 1.09 -0.23 -0.14 0.00 0.05 0.00 0.00 38.32 39.08 1h4c h ASN 182 CO 1.02 1.52 -0.58 0.42 -1.65 0.00 0.00 177.43 178.16 1h4c s THR 183 N -2.89 0.12 0.26 2.81 -4.23 -1.26 -5.02 115.64 105.43 1h4c s THR 183 Ca -0.08 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1h4c s THR 183 Cb 0.06 -1.85 0.24 0.00 1.34 0.00 0.00 72.50 72.29 1h4c s THR 183 CO 0.92 -0.56 1.79 -0.65 -0.54 0.00 0.00 174.62 175.58 1h4c h PRO 184 N 2.86 0.72 -0.64 3.99 0.11 -1.99 -1.38 132.00 135.66 1h4c h PRO 184 Ca -0.34 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 65.86 1h4c h PRO 184 Cb 1.19 -0.16 -0.10 0.00 0.11 0.00 0.00 31.00 32.04 1h4c h PRO 184 CO 0.58 0.48 0.08 1.49 -0.21 0.00 0.00 178.00 180.42 1h4c h GLU 185 N 0.74 0.18 -0.43 1.05 4.81 -2.01 -1.38 114.58 117.54 1h4c h GLU 185 Ca 0.45 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.57 1h4c h GLU 185 Cb 0.53 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1h4c h GLU 185 CO -0.30 0.12 -0.10 1.49 -0.73 0.00 0.00 179.01 179.49 1h4c h GLU 186 N 0.19 0.83 -0.67 1.92 4.81 -1.76 -3.20 114.58 116.70 1h4c h GLU 186 Ca 0.34 -0.31 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1h4c h GLU 186 Cb 0.55 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 1h4c h GLU 186 CO -0.49 0.94 0.31 1.25 -0.73 0.00 0.00 179.01 180.29 1h4c h LEU 187 N 0.66 0.38 -1.23 1.64 5.85 -0.25 -1.97 115.31 120.40 1h4c h LEU 187 Ca 0.11 0.07 0.21 0.00 0.84 0.00 0.00 57.88 59.11 1h4c h LEU 187 Cb 0.63 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 1h4c h LEU 187 CO 0.04 0.22 0.62 0.00 -0.34 0.00 0.00 178.44 178.98 1h4c h ALA 188 N 1.42 1.95 -0.13 1.25 0.00 -1.32 -0.57 119.26 121.86 1h4c h ALA 188 Ca 0.33 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1h4c h ALA 188 Cb 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1h4c h ALA 188 CO -0.28 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 178.51 1h4c h ARG 189 N 0.58 0.21 -0.01 0.00 3.08 -1.46 -3.15 114.38 113.63 1h4c h ARG 189 Ca 0.55 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1h4c h ARG 189 Cb 1.11 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1h4c h ARG 189 CO -0.30 0.37 -0.03 0.91 -1.07 0.00 0.00 179.97 179.85 1h4c n TRP 190 N -4.26 0.00 1.36 3.04 7.02 -0.23 -5.17 117.44 119.20 1h4c n TRP 190 Ca -0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.58 1h4c n TRP 190 Cb 0.28 -0.03 0.65 0.00 -2.42 0.00 0.00 31.31 29.79 1h4c n TRP 190 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71