#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gun s ASN 2 N 0.00 -0.18 0.37 6.12 2.20 -1.26 -5.03 114.94 117.17 3gun s ASN 2 Ca 0.00 -0.74 0.04 0.00 -0.94 0.00 0.00 52.86 51.22 3gun s ASN 2 Cb 0.00 0.74 0.72 0.00 -2.00 0.00 0.00 41.25 40.71 3gun s ASN 2 CO 0.00 -1.40 2.01 -0.29 -2.94 0.00 0.00 177.10 174.48 3gun h ILE 3 N 2.00 1.14 -0.14 0.54 6.09 -2.01 0.20 117.51 125.33 3gun h ILE 3 Ca -0.23 -0.31 -0.02 0.00 -1.37 0.00 0.00 64.86 62.92 3gun h ILE 3 Cb 1.25 0.43 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 3gun h ILE 3 CO 0.28 0.15 -0.00 -0.26 -3.07 0.00 0.00 178.15 175.25 3gun h PHE 4 N 0.69 0.28 -0.39 2.19 0.04 -1.99 -1.07 116.94 116.69 3gun h PHE 4 Ca 0.18 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 3gun h PHE 4 Cb -0.03 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 3gun h PHE 4 CO 0.00 0.48 -0.14 0.93 -0.60 0.00 0.00 178.31 178.98 3gun h GLU 5 N -0.00 0.71 -0.08 1.51 5.08 -1.89 -0.71 114.58 119.21 3gun h GLU 5 Ca 0.04 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3gun h GLU 5 Cb 0.37 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3gun h GLU 5 CO 0.01 0.82 0.05 1.98 -1.00 0.00 0.00 179.01 180.87 3gun h MET 6 N 0.64 0.10 -0.17 2.33 4.05 -0.86 -1.26 114.93 119.76 3gun h MET 6 Ca 0.11 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.38 3gun h MET 6 Cb 0.60 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 3gun h MET 6 CO 0.04 0.10 -0.48 -0.07 0.23 0.00 0.00 176.91 176.73 3gun h LEU 7 N 0.08 0.48 -0.99 3.39 3.38 -1.04 -1.39 115.31 119.23 3gun h LEU 7 Ca 0.03 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3gun h LEU 7 Cb 0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3gun h LEU 7 CO -0.01 0.89 0.64 0.03 0.09 0.00 0.00 178.44 180.08 3gun h ARG 8 N 0.35 1.16 -0.35 1.13 3.08 -0.86 0.80 114.38 119.69 3gun h ARG 8 Ca 0.02 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3gun h ARG 8 Cb 0.98 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3gun h ARG 8 CO 0.09 0.77 0.01 0.82 -1.07 0.00 0.00 179.97 180.58 3gun h ILE 9 N 1.19 1.26 -0.07 2.04 2.04 -0.73 0.15 117.51 123.39 3gun h ILE 9 Ca 0.41 -0.95 -0.20 0.00 1.00 0.00 0.00 64.86 65.12 3gun h ILE 9 Cb 0.10 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3gun h ILE 9 CO -0.15 0.32 -0.78 0.44 0.00 0.00 0.00 178.15 177.97 3gun h ASP 10 N 0.43 0.55 0.00 1.72 3.32 -0.89 -3.36 116.42 118.19 3gun h ASP 10 Ca 0.10 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.64 3gun h ASP 10 Cb 0.44 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3gun h ASP 10 CO 0.02 1.14 -1.98 -0.62 -1.72 0.00 0.00 179.24 176.07 3gun n GLU 11 N -3.83 0.83 -0.22 3.56 -0.58 0.24 -4.79 120.64 115.85 3gun n GLU 11 Ca -0.05 -0.10 0.03 0.00 -0.42 0.00 0.00 57.16 56.62 3gun n GLU 11 Cb 0.74 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 30.16 3gun n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gun n GLY 12 N 1.66 -1.64 3.02 0.62 0.00 0.04 -4.45 105.19 104.44 3gun n GLY 12 Ca -0.14 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 3gun n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gun s LEU 13 N 0.00 1.60 -0.04 0.99 2.96 -1.25 -4.18 118.68 118.76 3gun s LEU 13 Ca 0.00 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 3gun s LEU 13 Cb 0.00 -0.96 0.03 0.00 0.50 0.00 0.00 46.19 45.75 3gun s LEU 13 CO 0.00 -0.00 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.89 3gun s ARG 14 N 1.01 0.42 -0.36 1.98 1.81 0.17 -4.98 118.95 119.00 3gun s ARG 14 Ca -0.07 0.06 0.06 0.00 -1.72 0.00 0.00 55.73 54.05 3gun s ARG 14 Cb -0.15 -0.61 0.47 0.00 -0.45 0.00 0.00 34.95 34.21 3gun s ARG 14 CO -0.01 -0.15 1.42 1.28 -0.68 0.00 0.00 175.30 177.16 3gun n LEU 15 N 4.29 5.19 -3.60 2.53 4.77 -1.26 0.13 117.00 129.05 3gun n LEU 15 Ca -0.23 -4.41 -0.16 0.00 -0.03 0.00 0.00 56.01 51.18 3gun n LEU 15 Cb 0.50 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 3gun n LEU 15 CO 0.20 1.77 0.35 -1.59 -1.33 0.00 0.00 177.39 176.79 3gun s LYS 16 N -3.55 0.91 -0.05 3.23 -2.85 -1.26 -4.17 119.74 111.99 3gun s LYS 16 Ca 0.52 0.38 -0.35 0.00 -1.00 0.00 0.00 55.97 55.52 3gun s LYS 16 Cb 0.43 0.43 -0.13 0.00 -2.06 0.00 0.00 37.83 36.50 3gun s LYS 16 CO 0.01 -0.24 1.78 -0.89 0.10 0.00 0.00 175.35 176.12 3gun n ILE 17 N 1.51 0.41 -4.35 3.79 5.41 -1.25 -4.69 119.36 120.18 3gun n ILE 17 Ca -0.18 -0.07 -0.18 0.00 1.00 0.00 0.00 62.75 63.32 3gun n ILE 17 Cb 0.56 -1.70 -0.10 0.00 -0.71 0.00 0.00 39.64 37.70 3gun n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3gun s TYR 18 N 3.21 1.65 -0.46 1.39 1.13 -0.28 -4.91 117.35 119.07 3gun s TYR 18 Ca 0.90 -0.77 -0.20 0.00 -1.41 0.00 0.00 57.07 55.59 3gun s TYR 18 Cb -0.74 -0.90 0.03 0.00 -1.10 0.00 0.00 41.96 39.26 3gun s TYR 18 CO 0.50 0.15 0.65 0.15 -2.51 0.00 0.00 175.55 174.48 3gun s LYS 19 N -3.76 3.23 1.42 -3.49 1.02 -1.26 -0.05 119.74 116.85 3gun s LYS 19 Ca 0.26 -0.53 -0.23 0.00 0.02 0.00 0.00 55.97 55.49 3gun s LYS 19 Cb 0.03 -4.00 0.37 0.00 -0.52 0.00 0.00 37.83 33.71 3gun s LYS 19 CO 0.08 -1.09 0.93 0.16 -0.92 0.00 0.00 175.35 174.51 3gun s ASP 20 N 2.24 -1.06 0.26 2.83 -4.77 -0.15 -4.43 116.67 111.59 3gun s ASP 20 Ca 0.21 0.85 0.15 0.00 -3.30 0.00 0.00 52.55 50.46 3gun s ASP 20 Cb -0.15 -1.21 0.83 0.00 -1.09 0.00 0.00 42.92 41.29 3gun s ASP 20 CO 0.17 -5.36 1.42 0.00 0.70 0.00 0.00 175.17 172.10 3gun n GLU 22 N -2.05 2.25 -0.88 0.00 1.02 -1.26 -4.49 120.64 115.24 3gun n GLU 22 Ca -0.01 -1.83 0.00 0.00 -0.02 0.00 0.00 57.16 55.30 3gun n GLU 22 Cb 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3gun n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gun n GLY 23 N 1.34 0.48 3.81 0.62 0.00 0.58 -5.05 105.19 106.97 3gun n GLY 23 Ca 0.15 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 3gun n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gun s TYR 24 N -2.00 3.37 0.09 1.61 2.02 -1.26 -4.70 117.35 116.47 3gun s TYR 24 Ca 0.00 0.28 -0.31 0.00 -0.37 0.00 0.00 57.07 56.67 3gun s TYR 24 Cb 0.00 -1.79 -0.09 0.00 -0.40 0.00 0.00 41.96 39.68 3gun s TYR 24 CO 0.00 0.59 1.72 0.71 -1.57 0.00 0.00 175.55 176.99 3gun s TYR 25 N -1.16 2.31 0.04 2.71 2.02 -1.25 -0.98 117.35 121.03 3gun s TYR 25 Ca 0.22 0.19 -0.07 0.00 -0.37 0.00 0.00 57.07 57.04 3gun s TYR 25 Cb -0.12 -4.04 -0.01 0.00 -0.40 0.00 0.00 41.96 37.40 3gun s TYR 25 CO 0.12 -4.22 0.13 0.99 -1.57 0.00 0.00 175.55 171.00 3gun s THR 26 N 2.71 0.12 0.21 -0.71 2.01 0.93 -1.07 115.64 119.85 3gun s THR 26 Ca 0.76 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 3gun s THR 26 Cb -0.42 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.21 3gun s THR 26 CO 0.34 -0.56 0.51 -0.51 -0.69 0.00 0.00 174.62 173.71 3gun s ILE 27 N -2.58 0.02 0.00 1.82 2.07 -0.89 -1.13 121.20 120.51 3gun s ILE 27 Ca -0.05 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 3gun s ILE 27 Cb -0.01 -1.79 0.00 0.00 0.13 0.00 0.00 42.46 40.79 3gun s ILE 27 CO -0.04 -0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 3gun n GLY 28 N -0.35 2.93 3.05 1.50 0.00 0.35 -1.45 105.19 111.22 3gun n GLY 28 Ca -0.07 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3gun n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gun s ILE 29 N 0.00 3.97 -1.56 -0.61 1.01 -1.26 0.45 121.20 123.20 3gun s ILE 29 Ca 0.00 -3.98 -0.00 0.00 0.00 0.00 0.00 60.65 56.67 3gun s ILE 29 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3gun s ILE 29 CO 0.00 -1.07 0.00 0.61 0.00 0.00 0.00 174.94 174.49 3gun n GLY 30 N 2.23 -0.39 3.58 6.18 0.00 -1.24 -4.87 105.19 110.68 3gun n GLY 30 Ca 0.21 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3gun n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gun s HIS 31 N -2.91 2.65 -0.11 1.61 5.04 -0.53 -4.92 115.29 116.12 3gun s HIS 31 Ca 0.00 0.44 -0.29 0.00 -1.54 0.00 0.00 55.06 53.66 3gun s HIS 31 Cb -0.00 -4.47 -0.05 0.00 0.04 0.00 0.00 32.58 28.10 3gun s HIS 31 CO 0.00 -1.52 1.65 -1.17 -2.34 0.00 0.00 174.74 171.36 3gun s LEU 32 N 4.81 4.17 -0.08 8.88 2.96 -1.26 -2.09 118.68 136.06 3gun s LEU 32 Ca 0.43 2.03 -0.23 0.00 -0.22 0.00 0.00 54.13 56.14 3gun s LEU 32 Cb -0.08 -3.53 -0.29 0.00 0.50 0.00 0.00 46.19 42.79 3gun s LEU 32 CO 0.26 -1.05 0.79 -0.07 -1.32 0.00 0.00 176.35 174.96 3gun h LEU 33 N 10.80 0.33 -7.00 -0.68 3.38 -1.46 -3.49 115.31 117.18 3gun h LEU 33 Ca -0.37 -0.93 0.06 0.00 0.09 0.00 0.00 57.88 56.72 3gun h LEU 33 Cb 1.17 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.61 3gun h LEU 33 CO 0.97 1.33 0.47 0.28 0.09 0.00 0.00 178.44 181.58 3gun s THR 34 N -2.38 0.00 -2.40 0.22 -1.32 -1.23 -4.91 115.64 103.62 3gun s THR 34 Ca -0.16 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.54 3gun s THR 34 Cb 0.01 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.44 3gun s THR 34 CO 0.78 0.00 1.52 0.29 -2.21 0.00 0.00 174.62 175.00 3gun n LYS 35 N 0.57 1.93 -2.44 7.08 5.02 -1.26 -3.95 118.16 125.11 3gun n LYS 35 Ca -0.12 -1.39 -0.37 0.00 -2.02 0.00 0.00 58.31 54.41 3gun n LYS 35 Cb 0.58 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 3gun n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gun s SER 36 N -1.63 6.69 0.00 4.39 0.15 -1.26 -4.97 113.70 117.07 3gun s SER 36 Ca 0.34 2.18 0.25 0.00 0.70 0.00 0.00 55.95 59.42 3gun s SER 36 Cb 0.19 -2.60 1.34 0.00 -1.71 0.00 0.00 66.02 63.24 3gun s SER 36 CO 0.28 -0.55 1.84 -0.81 1.20 0.00 0.00 173.24 175.21 3gun n PRO 37 N 0.08 0.50 -3.48 5.44 -0.04 -1.26 -4.79 135.00 131.45 3gun n PRO 37 Ca 0.04 0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 3gun n PRO 37 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 3gun n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gun s ASP 38 N -2.38 6.13 0.32 3.54 3.68 -1.26 -4.98 116.67 121.73 3gun s ASP 38 Ca 0.28 -0.08 0.06 0.00 2.13 0.00 0.00 52.55 54.95 3gun s ASP 38 Cb 0.17 -2.17 0.74 0.00 -1.45 0.00 0.00 42.92 40.21 3gun s ASP 38 CO 0.35 -0.20 1.83 0.25 0.13 0.00 0.00 175.17 177.53 3gun h LEU 39 N 8.56 0.76 -0.24 -1.34 5.85 -2.00 -2.09 115.31 124.81 3gun h LEU 39 Ca -0.32 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3gun h LEU 39 Cb 1.16 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 3gun h LEU 39 CO 0.63 0.36 -0.15 0.78 -0.34 0.00 0.00 178.44 179.71 3gun h ASN 40 N 0.79 -0.50 -0.71 1.25 2.35 -1.99 -0.12 115.58 116.65 3gun h ASN 40 Ca 0.50 0.11 0.16 0.00 -0.55 0.00 0.00 56.30 56.51 3gun h ASN 40 Cb 0.73 0.26 -0.04 0.00 0.05 0.00 0.00 38.32 39.31 3gun h ASN 40 CO -0.26 -0.19 0.48 0.00 -1.65 0.00 0.00 177.43 175.81 3gun h ALA 41 N 1.03 2.25 0.00 -0.83 0.00 -1.80 -0.07 119.26 119.83 3gun h ALA 41 Ca 0.13 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3gun h ALA 41 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gun h ALA 41 CO -0.32 -0.44 -0.79 0.00 0.00 0.00 0.00 179.25 177.69 3gun h ALA 42 N 1.66 0.69 -0.19 0.00 0.00 -0.90 -2.36 119.26 118.17 3gun h ALA 42 Ca 0.35 -0.72 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 3gun h ALA 42 Cb 0.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gun h ALA 42 CO -0.09 0.99 -0.69 0.87 0.00 0.00 0.00 179.25 180.33 3gun h LYS 43 N 0.00 0.76 -0.08 0.00 1.57 0.50 -1.90 116.57 117.41 3gun h LYS 43 Ca -0.01 -0.57 -0.21 0.00 -1.87 0.00 0.00 60.65 57.99 3gun h LYS 43 Cb 1.40 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.82 3gun h LYS 43 CO 0.10 1.19 -0.81 0.66 -0.57 0.00 0.00 179.45 180.02 3gun h SER 44 N 0.55 0.68 -0.66 0.86 4.64 -1.32 -2.41 113.55 115.89 3gun h SER 44 Ca -0.03 -0.47 0.05 0.00 -0.47 0.00 0.00 61.79 60.88 3gun h SER 44 Cb 1.30 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 3gun h SER 44 CO 0.14 1.24 0.37 -0.33 -0.87 0.00 0.00 176.83 177.39 3gun h GLU 45 N 0.37 0.68 0.12 4.77 4.39 -1.41 -1.25 114.58 122.24 3gun h GLU 45 Ca -0.05 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3gun h GLU 45 Cb 1.42 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3gun h GLU 45 CO 0.15 0.45 -0.09 1.25 -1.16 0.00 0.00 179.01 179.61 3gun h LEU 46 N 0.70 -0.22 -0.78 1.33 5.85 -1.04 0.79 115.31 121.93 3gun h LEU 46 Ca 0.29 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.05 3gun h LEU 46 Cb 0.15 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3gun h LEU 46 CO -0.16 -0.14 0.51 0.44 -0.34 0.00 0.00 178.44 178.74 3gun h ASP 47 N -0.21 0.86 -0.61 1.25 5.19 -1.26 -1.49 116.42 120.15 3gun h ASP 47 Ca -0.00 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 3gun h ASP 47 Cb 0.19 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 3gun h ASP 47 CO -0.01 0.61 0.38 0.50 -3.12 0.00 0.00 179.24 177.61 3gun h LYS 48 N 1.01 0.74 -0.14 3.56 3.64 -1.11 0.70 116.57 124.98 3gun h LYS 48 Ca 0.30 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3gun h LYS 48 Cb -0.05 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 3gun h LYS 48 CO -0.09 0.49 -0.37 0.00 -2.27 0.00 0.00 179.45 177.22 3gun h ALA 49 N 1.26 1.13 0.04 5.00 0.00 -0.10 -3.33 119.26 123.26 3gun h ALA 49 Ca 0.24 -0.39 -0.35 0.00 0.00 0.00 0.00 54.91 54.42 3gun h ALA 49 Cb -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3gun h ALA 49 CO -0.09 0.57 -2.07 -0.89 0.00 0.00 0.00 179.25 176.77 3gun n ILE 50 N -4.06 1.62 -0.65 0.00 2.08 -0.63 -5.01 119.36 112.70 3gun n ILE 50 Ca -0.01 -0.71 0.00 0.00 0.56 0.00 0.00 62.75 62.58 3gun n ILE 50 Cb 0.45 -1.27 0.00 0.00 -0.75 0.00 0.00 39.64 38.08 3gun n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gun n GLY 51 N 1.88 1.08 3.76 7.39 0.00 0.22 -5.09 105.19 114.43 3gun n GLY 51 Ca -0.30 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 3gun n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gun s ARG 52 N -1.64 1.45 -0.52 1.61 1.70 -1.19 -5.08 118.95 115.28 3gun s ARG 52 Ca 0.00 -0.77 -0.27 0.00 -0.47 0.00 0.00 55.73 54.22 3gun s ARG 52 Cb 0.00 0.51 0.03 0.00 -0.57 0.00 0.00 34.95 34.92 3gun s ARG 52 CO 0.00 -0.66 1.07 -0.80 -1.08 0.00 0.00 175.30 173.82 3gun s ASN 53 N -2.89 6.49 0.04 -2.89 0.02 -1.26 -4.44 114.94 110.01 3gun s ASN 53 Ca 0.10 0.12 -0.20 0.00 -1.02 0.00 0.00 52.86 51.87 3gun s ASN 53 Cb -0.03 -2.51 -0.15 0.00 0.02 0.00 0.00 41.25 38.58 3gun s ASN 53 CO 0.03 -1.27 1.32 0.00 0.02 0.00 0.00 177.10 177.19 3gun s ASN 55 N -6.24 6.85 -0.05 0.00 -0.87 -1.26 -3.97 114.94 109.39 3gun s ASN 55 Ca -0.14 -2.55 0.00 0.00 -1.57 0.00 0.00 52.86 48.60 3gun s ASN 55 Cb 0.05 -2.38 0.00 0.00 -0.02 0.00 0.00 41.25 38.91 3gun s ASN 55 CO 0.77 -0.86 0.00 0.61 -2.57 0.00 0.00 177.10 175.04 3gun n GLY 56 N 4.70 0.47 2.99 0.66 0.00 -1.26 -5.03 105.19 107.72 3gun n GLY 56 Ca 0.28 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3gun n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gun s VAL 57 N -1.92 0.51 0.21 1.61 1.01 -1.26 -3.84 120.40 116.72 3gun s VAL 57 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3gun s VAL 57 Cb 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 3gun s VAL 57 CO 0.00 0.03 -0.04 0.27 0.00 0.00 0.00 175.10 175.36 3gun s ILE 58 N -0.39 1.15 0.62 2.22 -4.36 -1.26 -4.75 121.20 114.43 3gun s ILE 58 Ca 0.00 -2.06 -0.11 0.00 -0.26 0.00 0.00 60.65 58.23 3gun s ILE 58 Cb -0.04 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.45 3gun s ILE 58 CO -0.00 -0.46 1.02 0.42 0.24 0.00 0.00 174.94 176.16 3gun s THR 59 N -3.34 4.56 0.32 8.37 -4.23 -1.26 -4.93 115.64 115.14 3gun s THR 59 Ca 0.25 0.78 0.01 0.00 -1.18 0.00 0.00 61.69 61.55 3gun s THR 59 Cb 0.04 -3.82 0.22 0.00 1.34 0.00 0.00 72.50 70.29 3gun s THR 59 CO 0.06 -1.06 1.94 0.50 -0.54 0.00 0.00 174.62 175.53 3gun h LYS 60 N -0.32 0.83 -0.45 3.99 3.64 -2.02 -0.88 116.57 121.36 3gun h LYS 60 Ca -0.44 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 3gun h LYS 60 Cb 1.20 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3gun h LYS 60 CO 0.62 0.62 0.28 -0.44 -2.27 0.00 0.00 179.45 178.26 3gun h ASP 61 N 0.84 0.47 -0.56 4.20 3.32 -1.99 -0.48 116.42 122.22 3gun h ASP 61 Ca 0.21 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 3gun h ASP 61 Cb 0.04 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3gun h ASP 61 CO -0.03 0.34 0.11 -0.33 -1.72 0.00 0.00 179.24 177.61 3gun h GLU 62 N 0.57 0.96 -0.59 3.56 5.08 -1.78 -2.20 114.58 120.17 3gun h GLU 62 Ca 0.17 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3gun h GLU 62 Cb -0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3gun h GLU 62 CO -0.06 0.87 0.17 0.00 -1.00 0.00 0.00 179.01 178.99 3gun h ALA 63 N 1.21 0.77 0.00 3.43 0.00 -0.74 -1.41 119.26 122.52 3gun h ALA 63 Ca 0.19 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3gun h ALA 63 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gun h ALA 63 CO 0.01 0.45 -0.35 0.93 0.00 0.00 0.00 179.25 180.29 3gun h GLU 64 N 0.84 0.00 0.10 0.00 4.39 -0.99 0.49 114.58 119.40 3gun h GLU 64 Ca 0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 3gun h GLU 64 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3gun h GLU 64 CO -0.00 0.35 -0.05 -0.22 -1.16 0.00 0.00 179.01 177.92 3gun h LYS 65 N 0.00 -0.13 -0.81 2.33 3.64 -0.97 -1.31 116.57 119.31 3gun h LYS 65 Ca -0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3gun h LYS 65 Cb 0.69 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.48 3gun h LYS 65 CO 0.05 0.24 0.47 -0.07 -2.27 0.00 0.00 179.45 177.87 3gun h LEU 66 N -0.53 0.70 -0.11 5.20 3.38 -1.06 -1.44 115.31 121.45 3gun h LEU 66 Ca -0.01 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gun h LEU 66 Cb 0.43 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3gun h LEU 66 CO 0.02 0.42 0.03 0.15 0.09 0.00 0.00 178.44 179.16 3gun h PHE 67 N 0.82 0.06 -0.84 1.13 3.57 -0.83 0.10 116.94 120.96 3gun h PHE 67 Ca 0.38 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.91 3gun h PHE 67 Cb 0.29 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 3gun h PHE 67 CO -0.06 0.03 0.54 -0.91 -2.23 0.00 0.00 178.31 175.69 3gun h ASN 68 N 0.09 0.90 -0.71 0.41 4.21 -0.91 -0.84 115.58 118.74 3gun h ASN 68 Ca 0.05 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.55 3gun h ASN 68 Cb 0.03 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 36.99 3gun h ASN 68 CO -0.05 0.63 0.44 1.56 -1.29 0.00 0.00 177.43 178.72 3gun h GLN 69 N 1.06 0.95 -0.10 0.81 4.20 -0.75 -1.73 115.11 119.55 3gun h GLN 69 Ca 0.33 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.77 3gun h GLN 69 Cb -0.01 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 3gun h GLN 69 CO -0.11 0.65 -0.75 -0.44 -0.67 0.00 0.00 178.83 177.51 3gun h ASP 70 N 0.96 0.62 -0.30 1.46 3.32 -0.19 -0.42 116.42 121.87 3gun h ASP 70 Ca 0.26 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3gun h ASP 70 Cb -0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3gun h ASP 70 CO -0.05 1.17 0.02 0.58 -1.72 0.00 0.00 179.24 179.24 3gun h VAL 71 N 0.35 1.25 -0.96 -1.35 2.07 -1.06 -0.47 116.25 116.08 3gun h VAL 71 Ca -0.04 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.65 3gun h VAL 71 Cb 1.35 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 3gun h VAL 71 CO 0.14 0.28 0.63 -0.78 0.02 0.00 0.00 177.57 177.86 3gun h ASP 72 N 0.32 1.03 -0.41 0.57 1.82 -1.20 -1.54 116.42 117.00 3gun h ASP 72 Ca 0.09 -0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.64 3gun h ASP 72 Cb 0.39 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 3gun h ASP 72 CO 0.01 0.70 -0.03 0.00 -1.61 0.00 0.00 179.24 178.31 3gun h ALA 73 N 1.45 1.05 -0.47 -0.78 0.00 -0.68 -1.33 119.26 118.49 3gun h ALA 73 Ca 0.38 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3gun h ALA 73 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3gun h ALA 73 CO -0.12 0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 3gun h ALA 74 N 1.21 0.63 -0.20 0.00 0.00 -0.27 0.14 119.26 120.77 3gun h ALA 74 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3gun h ALA 74 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gun h ALA 74 CO 0.03 0.44 0.01 0.28 0.00 0.00 0.00 179.25 180.01 3gun h VAL 75 N 0.69 1.24 -0.59 0.00 2.07 -1.12 -1.79 116.25 116.74 3gun h VAL 75 Ca 0.13 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3gun h VAL 75 Cb 0.52 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3gun h VAL 75 CO 0.03 0.25 0.31 0.03 0.02 0.00 0.00 177.57 178.21 3gun h ARG 76 N 0.11 0.82 -0.66 1.57 3.08 -1.20 -1.18 114.38 116.92 3gun h ARG 76 Ca 0.06 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.06 3gun h ARG 76 Cb 0.36 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3gun h ARG 76 CO 0.01 0.61 0.40 0.78 -1.07 0.00 0.00 179.97 180.70 3gun h GLY 77 N 0.90 0.95 0.82 0.04 0.00 -0.45 -0.42 103.07 104.91 3gun h GLY 77 Ca 0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3gun h GLY 77 CO -0.03 0.24 0.02 -2.22 0.00 0.00 0.00 176.54 174.55 3gun h ILE 78 N 0.77 1.23 0.00 2.60 2.04 -0.91 -2.84 117.51 120.40 3gun h ILE 78 Ca 0.27 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3gun h ILE 78 Cb 0.06 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3gun h ILE 78 CO -0.12 0.23 -0.13 -0.07 0.00 0.00 0.00 178.15 178.06 3gun h LEU 79 N 0.08 0.00 -1.28 1.44 3.38 -0.73 -2.32 115.31 115.88 3gun h LEU 79 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gun h LEU 79 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3gun h LEU 79 CO 0.00 0.13 -0.14 0.54 0.09 0.00 0.00 178.44 179.07 3gun n ARG 80 N -3.26 1.71 -3.64 1.13 1.74 -0.21 -4.77 116.66 109.36 3gun n ARG 80 Ca 0.00 -1.28 -0.37 0.00 -0.77 0.00 0.00 57.85 55.44 3gun n ARG 80 Cb 0.39 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.25 3gun n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gun s ASN 81 N -2.17 6.04 0.48 0.55 3.84 -0.88 -4.99 114.94 117.81 3gun s ASN 81 Ca 0.28 0.05 0.21 0.00 0.21 0.00 0.00 52.86 53.61 3gun s ASN 81 Cb 0.20 -2.10 1.22 0.00 -0.55 0.00 0.00 41.25 40.01 3gun s ASN 81 CO 0.40 0.01 2.01 0.00 -2.79 0.00 0.00 177.10 176.73 3gun h ALA 82 N 7.91 1.42 0.15 1.71 0.00 -1.88 -0.83 119.26 127.74 3gun h ALA 82 Ca -0.37 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.09 3gun h ALA 82 Cb 1.18 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.96 3gun h ALA 82 CO 0.61 0.21 -1.28 0.87 0.00 0.00 0.00 179.25 179.66 3gun h LYS 83 N 0.00 0.48 0.13 0.00 1.57 -1.94 -3.37 116.57 113.45 3gun h LYS 83 Ca -0.00 -0.72 -0.30 0.00 -1.87 0.00 0.00 60.65 57.76 3gun h LYS 83 Cb 0.37 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3gun h LYS 83 CO 0.02 1.32 -1.48 -0.07 -0.57 0.00 0.00 179.45 178.68 3gun h LEU 84 N 0.18 0.44 -0.06 2.94 3.38 -1.69 -3.38 115.31 117.13 3gun h LEU 84 Ca -0.18 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.25 3gun h LEU 84 Cb 1.96 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 3gun h LEU 84 CO 0.23 1.47 -0.13 0.50 0.09 0.00 0.00 178.44 180.60 3gun h LYS 85 N 0.08 -0.19 0.00 1.13 3.64 -1.14 0.27 116.57 120.36 3gun h LYS 85 Ca -0.23 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 3gun h LYS 85 Cb 2.02 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.88 3gun h LYS 85 CO 0.18 -0.12 -0.25 -1.00 -2.27 0.00 0.00 179.45 175.98 3gun h PRO 86 N -0.19 0.00 -0.06 1.90 0.13 -1.77 0.04 132.00 132.05 3gun h PRO 86 Ca 0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 3gun h PRO 86 Cb 0.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 3gun h PRO 86 CO -0.17 0.25 -0.07 0.28 -0.23 0.00 0.00 178.00 178.06 3gun h VAL 87 N 0.00 1.38 -0.33 1.56 2.07 -1.57 -2.55 116.25 116.81 3gun h VAL 87 Ca -0.00 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.34 3gun h VAL 87 Cb 0.50 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.27 3gun h VAL 87 CO 0.03 0.34 -0.06 0.22 0.02 0.00 0.00 177.57 178.12 3gun h TYR 88 N -0.28 -0.14 0.00 1.57 3.20 -0.72 -2.09 116.97 118.51 3gun h TYR 88 Ca 0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3gun h TYR 88 Cb 0.59 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 3gun h TYR 88 CO 0.09 -0.12 -0.13 -0.44 -1.64 0.00 0.00 178.16 175.92 3gun h ASP 89 N 0.02 0.00 0.87 -2.11 3.32 -0.95 -1.45 116.42 116.12 3gun h ASP 89 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3gun h ASP 89 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3gun h ASP 89 CO -0.32 0.13 0.00 0.77 -1.72 0.00 0.00 179.24 178.10 3gun h SER 90 N 0.00 0.00 -4.03 6.45 4.64 -0.94 -3.46 113.55 116.21 3gun h SER 90 Ca -0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3gun h SER 90 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3gun h SER 90 CO 0.02 0.00 0.36 -0.76 -0.87 0.00 0.00 176.83 175.57 3gun s LEU 91 N -6.17 3.99 0.83 5.97 1.43 -0.55 -5.06 118.68 119.13 3gun s LEU 91 Ca 0.00 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 3gun s LEU 91 Cb 0.10 -4.45 0.09 0.00 0.03 0.00 0.00 46.19 41.96 3gun s LEU 91 CO 0.52 -0.42 1.09 1.51 0.23 0.00 0.00 176.35 179.28 3gun s ASP 92 N -2.01 4.07 0.18 2.29 -4.77 -1.26 -4.76 116.67 110.41 3gun s ASP 92 Ca 0.61 1.63 -0.18 0.00 -3.30 0.00 0.00 52.55 51.31 3gun s ASP 92 Cb -0.13 -2.33 0.13 0.00 -1.09 0.00 0.00 42.92 39.50 3gun s ASP 92 CO 0.17 -2.28 1.63 0.00 0.70 0.00 0.00 175.17 175.39 3gun h ALA 93 N -1.30 0.16 -0.39 2.11 0.00 -1.97 -0.88 119.26 116.99 3gun h ALA 93 Ca -0.46 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3gun h ALA 93 Cb 1.26 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3gun h ALA 93 CO 0.54 -0.54 -0.11 0.28 0.00 0.00 0.00 179.25 179.41 3gun h VAL 94 N -0.10 1.28 -0.53 0.00 2.07 -1.94 -2.67 116.25 114.37 3gun h VAL 94 Ca 0.22 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 3gun h VAL 94 Cb 0.44 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3gun h VAL 94 CO -0.53 0.40 0.32 0.03 0.02 0.00 0.00 177.57 177.81 3gun h ARG 95 N 0.56 0.71 -1.88 1.57 3.08 -1.78 -2.31 114.38 114.34 3gun h ARG 95 Ca 0.10 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3gun h ARG 95 Cb 0.64 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3gun h ARG 95 CO 0.04 0.50 0.00 0.54 -1.07 0.00 0.00 179.97 179.99 3gun n ARG 96 N -4.43 0.00 0.00 0.04 1.74 -0.36 -1.12 116.66 112.54 3gun n ARG 96 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3gun n ARG 96 Cb 0.08 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3gun n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gun n ALA 98 N 0.98 0.00 -0.02 7.54 0.00 -0.87 -1.46 120.51 126.67 3gun n ALA 98 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3gun n ALA 98 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3gun n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gun h ALA 99 N 0.00 0.15 -0.84 0.00 0.00 -1.41 0.19 119.26 117.36 3gun h ALA 99 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gun h ALA 99 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3gun h ALA 99 CO 0.00 -0.27 0.46 0.82 0.00 0.00 0.00 179.25 180.27 3gun h ILE 100 N 0.04 1.25 -0.15 0.00 2.04 -1.53 -1.65 117.51 117.51 3gun h ILE 100 Ca 0.04 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3gun h ILE 100 Cb 0.16 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3gun h ILE 100 CO -0.00 0.27 0.04 -1.13 0.00 0.00 0.00 178.15 177.33 3gun h ASN 101 N 1.17 0.03 -0.68 1.72 -0.73 -1.74 0.17 115.58 115.51 3gun h ASN 101 Ca 0.30 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.53 3gun h ASN 101 Cb 0.03 0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.59 3gun h ASN 101 CO -0.05 0.04 0.41 -0.08 -0.37 0.00 0.00 177.43 177.38 3gun h GLU 102 N 0.11 0.75 -0.22 6.67 4.81 -0.81 -0.14 114.58 125.75 3gun h GLU 102 Ca 0.07 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 3gun h GLU 102 Cb 0.05 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3gun h GLU 102 CO -0.08 0.50 -0.51 0.28 -0.73 0.00 0.00 179.01 178.46 3gun h VAL 103 N 0.77 1.31 -0.96 0.32 2.07 -1.00 -0.93 116.25 117.83 3gun h VAL 103 Ca 0.29 -1.74 0.05 0.00 0.82 0.00 0.00 66.70 66.12 3gun h VAL 103 Cb 0.10 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 3gun h VAL 103 CO -0.14 0.55 0.63 0.15 0.02 0.00 0.00 177.57 178.77 3gun h PHE 104 N 0.48 1.16 0.03 1.57 3.04 0.33 0.70 116.94 124.25 3gun h PHE 104 Ca 0.02 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.88 3gun h PHE 104 Cb 1.06 -0.38 0.01 0.00 2.56 0.00 0.00 35.95 39.19 3gun h PHE 104 CO 0.05 0.64 -0.46 1.96 -2.02 0.00 0.00 178.31 178.48 3gun h GLN 105 N 1.17 0.27 0.00 1.11 4.20 -0.89 -3.40 115.11 117.57 3gun h GLN 105 Ca 0.39 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3gun h GLN 105 Cb 0.08 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3gun h GLN 105 CO -0.13 1.05 -1.49 -1.33 -0.67 0.00 0.00 178.83 176.26 3gun n MET 106 N -4.34 0.82 0.00 1.46 2.81 -0.37 -5.08 117.12 112.42 3gun n MET 106 Ca -0.11 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 3gun n MET 106 Cb 0.62 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 3gun n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gun n GLY 107 N 1.55 -2.21 0.17 3.03 0.00 0.23 -4.36 105.19 103.59 3gun n GLY 107 Ca -0.02 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 3gun n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gun h VAL 108 N 0.00 0.67 -0.37 1.61 2.07 -1.93 -2.15 116.25 116.14 3gun h VAL 108 Ca 0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3gun h VAL 108 Cb 0.00 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3gun h VAL 108 CO 0.00 0.01 0.17 0.74 0.02 0.00 0.00 177.57 178.51 3gun h THR 109 N 0.07 1.18 -0.27 2.57 2.02 -1.97 0.65 112.91 117.15 3gun h THR 109 Ca 0.19 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 3gun h THR 109 Cb 0.28 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3gun h THR 109 CO -0.35 0.19 0.16 1.23 0.37 0.00 0.00 175.52 177.13 3gun h GLY 110 N 0.46 0.39 1.08 2.16 0.00 -1.73 -2.46 103.07 102.98 3gun h GLY 110 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 3gun h GLY 110 CO -0.01 0.16 0.02 -2.08 0.00 0.00 0.00 176.54 174.62 3gun h VAL 111 N 0.34 1.27 0.00 4.60 2.07 -1.06 -2.63 116.25 120.84 3gun h VAL 111 Ca 0.10 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3gun h VAL 111 Cb 0.01 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3gun h VAL 111 CO -0.02 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.99 3gun n ALA 112 N -2.48 1.76 0.93 1.67 0.00 0.19 -2.39 120.51 120.19 3gun n ALA 112 Ca 0.03 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3gun n ALA 112 Cb 0.34 -1.32 0.58 0.00 0.00 0.00 0.00 19.45 19.05 3gun n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gun n GLY 113 N 0.21 -1.46 2.70 0.00 0.00 -0.94 -4.27 105.19 101.42 3gun n GLY 113 Ca 0.03 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3gun n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gun n PHE 114 N -1.54 2.75 -0.24 1.61 3.01 -1.01 -4.80 117.46 117.24 3gun n PHE 114 Ca 0.07 -2.79 0.04 0.00 1.01 0.00 0.00 57.45 55.78 3gun n PHE 114 Cb 0.33 -1.87 0.17 0.00 -0.01 0.00 0.00 39.48 38.10 3gun n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3gun h THR 115 N 3.24 0.64 -0.17 4.37 2.02 -1.86 -1.91 112.91 119.24 3gun h THR 115 Ca 0.52 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.54 3gun h THR 115 Cb 0.49 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3gun h THR 115 CO 1.55 0.07 0.02 0.78 0.37 0.00 0.00 175.52 178.32 3gun h ASN 116 N 0.39 0.27 -0.68 4.18 4.21 -1.96 -2.56 115.58 119.43 3gun h ASN 116 Ca 0.39 -0.27 0.13 0.00 1.21 0.00 0.00 56.30 57.77 3gun h ASN 116 Cb 0.60 -0.07 -0.09 0.00 -1.12 0.00 0.00 38.32 37.64 3gun h ASN 116 CO -0.41 0.47 0.20 0.58 -1.29 0.00 0.00 177.43 176.98 3gun h VAL 117 N 0.06 0.64 -0.66 2.81 2.07 -1.74 -0.34 116.25 119.09 3gun h VAL 117 Ca 0.05 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3gun h VAL 117 Cb 0.32 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3gun h VAL 117 CO 0.00 0.06 0.42 -0.07 0.02 0.00 0.00 177.57 178.01 3gun h LEU 118 N 0.34 0.77 -0.40 2.57 3.38 -1.23 -0.27 115.31 120.47 3gun h LEU 118 Ca 0.36 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 3gun h LEU 118 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3gun h LEU 118 CO -0.41 0.58 0.04 -0.09 0.09 0.00 0.00 178.44 178.65 3gun h ARG 119 N 0.89 0.67 -0.14 1.13 2.43 -0.92 -1.05 114.38 117.40 3gun h ARG 119 Ca 0.24 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3gun h ARG 119 Cb -0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3gun h ARG 119 CO -0.05 0.74 0.06 0.52 -1.51 0.00 0.00 179.97 179.73 3gun h MET 120 N 0.51 0.20 -0.51 0.20 2.86 -0.73 -1.57 114.93 115.89 3gun h MET 120 Ca 0.12 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.80 3gun h MET 120 Cb 0.40 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 3gun h MET 120 CO 0.01 0.28 0.18 -0.07 1.06 0.00 0.00 176.91 178.37 3gun h LEU 121 N 0.08 0.17 -1.80 1.22 3.38 -1.02 0.15 115.31 117.49 3gun h LEU 121 Ca 0.05 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3gun h LEU 121 Cb 0.15 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3gun h LEU 121 CO -0.00 0.12 -0.07 -0.61 0.09 0.00 0.00 178.44 177.96 3gun h GLN 122 N 0.35 0.03 -0.31 1.13 4.15 -0.89 -1.73 115.11 117.85 3gun h GLN 122 Ca 0.25 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 3gun h GLN 122 Cb 0.28 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.96 3gun h GLN 122 CO -0.26 0.11 0.00 1.04 -1.93 0.00 0.00 178.83 177.79 3gun n GLN 123 N -4.43 2.06 -2.75 1.69 6.02 -0.62 -4.93 117.38 114.41 3gun n GLN 123 Ca -0.02 -1.61 -0.21 0.00 -0.01 0.00 0.00 57.00 55.14 3gun n GLN 123 Cb 0.16 -1.43 0.02 0.00 1.02 0.00 0.00 30.24 30.02 3gun n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gun n LYS 124 N 0.82 -3.53 -2.76 -1.09 5.02 -0.61 -4.93 118.16 111.07 3gun n LYS 124 Ca 0.17 0.91 -0.43 0.00 -2.02 0.00 0.00 58.31 56.94 3gun n LYS 124 Cb 0.43 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 3gun n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gun n ARG 125 N -3.52 3.66 -0.11 1.97 1.74 0.43 -4.86 116.66 115.98 3gun n ARG 125 Ca -0.16 -3.90 -0.09 0.00 -0.77 0.00 0.00 57.85 52.92 3gun n ARG 125 Cb 0.64 -2.86 -0.02 0.00 -1.02 0.00 0.00 32.46 29.21 3gun n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3gun h TRP 126 N 6.27 0.48 -0.09 -1.55 -0.00 -1.89 -1.34 115.95 117.83 3gun h TRP 126 Ca 0.31 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.18 3gun h TRP 126 Cb 0.74 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 29.74 3gun h TRP 126 CO 1.10 0.44 0.06 -0.44 -0.00 0.00 0.00 178.44 179.60 3gun h ASP 127 N 0.39 0.10 -0.52 -3.49 5.19 -1.89 -0.89 116.42 115.31 3gun h ASP 127 Ca 0.11 -0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.54 3gun h ASP 127 Cb 0.15 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.59 3gun h ASP 127 CO -0.01 0.09 0.28 -0.33 -3.12 0.00 0.00 179.24 176.15 3gun h GLU 128 N 0.10 0.52 -0.22 3.56 5.08 -1.96 0.48 114.58 122.14 3gun h GLU 128 Ca 0.03 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3gun h GLU 128 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3gun h GLU 128 CO -0.01 0.35 0.12 0.00 -1.00 0.00 0.00 179.01 178.47 3gun h ALA 129 N 1.27 0.27 -0.85 3.43 0.00 -1.05 -0.68 119.26 121.65 3gun h ALA 129 Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3gun h ALA 129 Cb 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3gun h ALA 129 CO -0.15 -0.28 0.46 0.00 0.00 0.00 0.00 179.25 179.28 3gun h ALA 130 N 1.10 1.09 -0.48 0.00 0.00 -0.85 -0.29 119.26 119.83 3gun h ALA 130 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gun h ALA 130 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3gun h ALA 130 CO -0.05 0.60 0.25 0.28 0.00 0.00 0.00 179.25 180.33 3gun h VAL 131 N 1.18 1.18 -0.13 0.00 2.07 -0.55 -2.62 116.25 117.39 3gun h VAL 131 Ca 0.30 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 3gun h VAL 131 Cb 0.04 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3gun h VAL 131 CO -0.05 0.19 -0.50 0.78 0.02 0.00 0.00 177.57 178.02 3gun h ASN 132 N 0.63 0.36 0.11 0.57 2.35 -0.72 -2.95 115.58 115.95 3gun h ASN 132 Ca 0.17 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3gun h ASN 132 Cb 0.09 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3gun h ASN 132 CO -0.02 0.81 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.24 3gun h LEU 133 N 0.27 0.24 0.00 1.61 3.38 -0.91 -2.47 115.31 117.43 3gun h LEU 133 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3gun h LEU 133 Cb 0.98 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3gun h LEU 133 CO 0.08 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.12 3gun n ALA 134 N -2.48 1.60 -2.40 1.53 0.00 -1.00 -3.66 120.51 114.10 3gun n ALA 134 Ca -0.01 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 3gun n ALA 134 Cb 0.36 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.61 3gun n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gun n LYS 135 N -1.49 4.63 -3.88 0.00 5.02 -0.93 -4.76 118.16 116.75 3gun n LYS 135 Ca 0.03 -3.99 -0.10 0.00 -2.02 0.00 0.00 58.31 52.23 3gun n LYS 135 Cb 0.15 -2.62 -0.09 0.00 -0.02 0.00 0.00 35.03 32.45 3gun n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gun s SER 136 N -0.37 0.08 0.18 4.39 1.04 -1.24 -5.04 113.70 112.74 3gun s SER 136 Ca 0.43 -0.40 -0.13 0.00 0.48 0.00 0.00 55.95 56.34 3gun s SER 136 Cb 0.15 0.25 0.11 0.00 0.10 0.00 0.00 66.02 66.63 3gun s SER 136 CO -0.05 -0.51 1.82 -0.09 0.98 0.00 0.00 173.24 175.39 3gun h ARG 137 N 3.66 0.65 -0.82 4.02 2.43 -1.92 -2.72 114.38 119.68 3gun h ARG 137 Ca -0.32 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 58.96 3gun h ARG 137 Cb 1.19 -0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 30.44 3gun h ARG 137 CO 0.48 0.43 -0.29 2.35 -1.51 0.00 0.00 179.97 181.43 3gun h TRP 138 N 0.67 -0.72 -0.80 2.20 7.01 -1.96 -1.44 115.95 120.91 3gun h TRP 138 Ca 0.22 0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 3gun h TRP 138 Cb 0.01 0.44 -0.04 0.00 -2.10 0.00 0.00 29.16 27.47 3gun h TRP 138 CO -0.06 -0.38 0.44 -0.92 -2.79 0.00 0.00 178.44 174.73 3gun h TYR 139 N -0.04 1.09 -0.04 2.65 3.20 -1.77 -1.04 116.97 121.02 3gun h TYR 139 Ca 0.35 -0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.98 3gun h TYR 139 Cb 0.60 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3gun h TYR 139 CO -0.71 0.76 -0.86 -0.91 -1.64 0.00 0.00 178.16 174.80 3gun h ASN 140 N 1.12 0.54 0.40 -2.11 2.35 -1.20 -3.20 115.58 113.48 3gun h ASN 140 Ca 0.28 -0.40 -0.31 0.00 -0.55 0.00 0.00 56.30 55.32 3gun h ASN 140 Cb 0.03 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 3gun h ASN 140 CO -0.05 1.18 -1.77 1.56 -1.65 0.00 0.00 177.43 176.70 3gun h GLN 141 N 0.26 0.08 -2.19 0.81 4.20 -1.18 -3.38 115.11 113.71 3gun h GLN 141 Ca -0.06 -0.13 -0.59 0.00 0.06 0.00 0.00 58.65 57.93 3gun h GLN 141 Cb 1.47 0.05 -0.42 0.00 0.30 0.00 0.00 27.48 28.89 3gun h GLN 141 CO 0.15 0.71 -0.68 0.00 -0.67 0.00 0.00 178.83 178.33 3gun h PRO 143 N 3.80 -0.12 -0.49 0.00 0.13 -1.74 -1.67 132.00 131.91 3gun h PRO 143 Ca 0.16 0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.18 3gun h PRO 143 Cb 0.66 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3gun h PRO 143 CO 0.78 -0.08 -0.19 -0.44 -0.23 0.00 0.00 178.00 177.84 3gun h ASP 144 N -0.13 1.01 -0.05 1.44 3.32 -1.94 0.24 116.42 120.32 3gun h ASP 144 Ca 0.04 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3gun h ASP 144 Cb 0.18 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3gun h ASP 144 CO -0.10 1.16 0.00 -2.11 -1.72 0.00 0.00 179.24 176.47 3gun n ARG 145 N -4.12 1.15 -0.03 3.56 1.85 -1.23 -3.10 116.66 114.74 3gun n ARG 145 Ca 0.00 -0.23 -0.06 0.00 -1.00 0.00 0.00 57.85 56.57 3gun n ARG 145 Cb 0.45 -1.20 -0.03 0.00 -1.05 0.00 0.00 32.46 30.62 3gun n ARG 145 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gun n ALA 146 N -0.46 2.15 -0.29 2.89 0.00 -0.63 -4.58 120.51 119.59 3gun n ALA 146 Ca 0.09 -0.28 0.07 0.00 0.00 0.00 0.00 53.44 53.31 3gun n ALA 146 Cb 0.09 0.37 0.29 0.00 0.00 0.00 0.00 19.45 20.20 3gun n ALA 146 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3gun h LYS 147 N -0.11 0.88 -0.20 0.00 2.10 -0.60 -0.14 116.57 118.50 3gun h LYS 147 Ca -0.16 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.29 3gun h LYS 147 Cb 1.20 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 3gun h LYS 147 CO -0.06 0.58 -0.44 0.00 -2.00 0.00 0.00 179.45 177.54 3gun h ARG 148 N 0.91 0.65 -0.26 0.07 3.08 -1.78 0.16 114.38 117.21 3gun h ARG 148 Ca 0.41 -0.43 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3gun h ARG 148 Cb 0.36 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 3gun h ARG 148 CO -0.17 1.05 -0.02 0.28 -1.07 0.00 0.00 179.97 180.04 3gun h VAL 149 N 0.34 0.79 -0.71 2.04 2.07 -1.72 -1.38 116.25 117.68 3gun h VAL 149 Ca 0.00 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3gun h VAL 149 Cb 1.04 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3gun h VAL 149 CO 0.10 0.01 0.29 0.40 0.02 0.00 0.00 177.57 178.38 3gun h ILE 150 N 0.05 1.25 -0.36 4.57 2.04 -0.91 -1.82 117.51 122.33 3gun h ILE 150 Ca 0.13 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3gun h ILE 150 Cb 0.18 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3gun h ILE 150 CO -0.23 0.31 0.08 0.74 0.00 0.00 0.00 178.15 179.05 3gun h THR 151 N 1.02 1.17 -0.45 -0.27 2.02 -0.81 -1.10 112.91 114.49 3gun h THR 151 Ca 0.24 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 3gun h THR 151 Cb 0.21 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3gun h THR 151 CO -0.02 0.22 -0.08 0.74 0.37 0.00 0.00 175.52 176.75 3gun h THR 152 N 0.52 1.27 -0.58 3.16 2.02 -0.67 0.52 112.91 119.15 3gun h THR 152 Ca 0.12 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 66.13 3gun h THR 152 Cb 0.22 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3gun h THR 152 CO -0.00 0.40 0.38 -0.26 0.37 0.00 0.00 175.52 176.42 3gun h PHE 153 N 0.68 0.72 -0.19 3.16 0.04 -0.93 0.22 116.94 120.65 3gun h PHE 153 Ca 0.12 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 3gun h PHE 153 Cb 0.61 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 3gun h PHE 153 CO 0.05 0.45 -0.00 -0.09 -0.60 0.00 0.00 178.31 178.12 3gun h ARG 154 N 0.78 0.34 0.00 1.51 2.43 -0.29 -3.38 114.38 115.77 3gun h ARG 154 Ca 0.21 -0.11 -0.35 0.00 -0.81 0.00 0.00 59.98 58.92 3gun h ARG 154 Cb -0.08 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.38 3gun h ARG 154 CO -0.05 0.55 -2.33 0.25 -1.51 0.00 0.00 179.97 176.88 3gun n THR 155 N -4.70 1.35 -1.12 0.20 -2.24 0.09 -4.79 114.28 103.07 3gun n THR 155 Ca -0.04 -0.84 -0.04 0.00 -2.27 0.00 0.00 64.05 60.85 3gun n THR 155 Cb 0.23 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 67.96 3gun n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gun n GLY 156 N 1.72 0.68 3.57 3.38 0.00 0.77 -5.03 105.19 110.28 3gun n GLY 156 Ca -0.31 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 3gun n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gun s THR 157 N -2.00 1.92 -2.09 2.61 -4.23 -1.26 -4.70 115.64 105.89 3gun s THR 157 Ca 0.00 -2.05 0.13 0.00 -1.18 0.00 0.00 61.69 58.60 3gun s THR 157 Cb 0.00 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 71.31 3gun s THR 157 CO 0.00 -0.06 1.38 0.79 -0.54 0.00 0.00 174.62 176.19 3gun n TRP 158 N -0.88 0.24 0.16 3.99 7.02 -1.26 -4.56 117.44 122.16 3gun n TRP 158 Ca -0.05 -0.12 0.11 0.00 -1.02 0.00 0.00 57.50 56.42 3gun n TRP 158 Cb 0.66 0.00 0.63 0.00 -2.42 0.00 0.00 31.31 30.18 3gun n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3gun h ASP 159 N 1.48 0.05 0.69 -0.99 5.19 -1.97 -1.16 116.42 119.72 3gun h ASP 159 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gun h ASP 159 Cb 0.33 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3gun h ASP 159 CO 0.00 0.04 0.00 0.00 -3.12 0.00 0.00 179.24 176.16 3gun n ALA 160 N -2.56 1.65 0.28 3.45 0.00 -1.26 -2.08 120.51 119.98 3gun n ALA 160 Ca 0.01 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.61 3gun n ALA 160 Cb 0.22 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.44 3gun n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gun n TYR 161 N -2.17 0.31 1.71 0.00 4.02 -0.44 -4.98 117.16 115.61 3gun n TYR 161 Ca 0.02 -0.22 0.15 0.00 -0.01 0.00 0.00 57.90 57.84 3gun n TYR 161 Cb 0.22 -0.01 0.71 0.00 -0.02 0.00 0.00 39.34 40.24 3gun n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02