#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7a n ALA 2 N 0.00 0.00 -3.65 3.17 0.00 -1.26 -5.05 120.51 113.72 1s7a n ALA 2 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1s7a n ALA 2 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1s7a n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1s7a n GLU 3 N -0.93 -2.62 0.00 0.00 2.13 -1.26 -4.95 120.64 113.00 1s7a n GLU 3 Ca 0.00 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1s7a n GLU 3 Cb 0.00 -4.73 0.00 0.00 0.27 0.00 0.00 31.44 26.98 1s7a n GLU 3 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1s7a n ASN 4 N -2.90 0.00 0.00 4.31 4.13 -1.26 -5.04 115.26 114.50 1s7a n ASN 4 Ca -0.17 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1s7a n ASN 4 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 1s7a n ASN 4 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s7a n GLY 5 N 1.01 5.28 0.40 7.41 0.00 -1.26 -5.05 105.19 112.98 1s7a n GLY 5 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.89 1s7a n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s7a n ASP 6 N 0.00 2.61 -0.66 1.61 9.92 -1.26 -4.95 116.55 123.82 1s7a n ASP 6 Ca 0.00 -2.06 -0.09 0.00 -0.53 0.00 0.00 54.79 52.11 1s7a n ASP 6 Cb 0.00 -0.16 -0.04 0.00 -0.64 0.00 0.00 41.12 40.28 1s7a n ASP 6 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1s7a n ASN 7 N 0.06 -5.78 0.02 -2.24 4.05 -1.26 -4.81 115.26 105.30 1s7a n ASN 7 Ca 0.08 0.21 0.00 0.00 0.45 0.00 0.00 54.58 55.32 1s7a n ASN 7 Cb 0.38 -4.05 0.31 0.00 1.23 0.00 0.00 39.78 37.65 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1s7a h GLU 8 N 0.00 0.47 -0.95 1.20 4.81 -2.02 -2.58 114.58 115.51 1s7a h GLU 8 Ca -0.18 -0.11 0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1s7a h GLU 8 Cb 1.15 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 1s7a h GLU 8 CO 0.26 0.53 0.60 -0.22 -0.73 0.00 0.00 179.01 179.45 1s7a h LYS 9 N 0.45 0.78 -0.68 1.92 3.64 -2.01 0.32 116.57 120.99 1s7a h LYS 9 Ca 0.09 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1s7a h LYS 9 Cb 0.36 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1s7a h LYS 9 CO 0.01 0.52 0.45 0.52 -2.27 0.00 0.00 179.45 178.68 1s7a h MET 10 N 0.81 0.83 -0.16 1.90 2.86 -1.85 0.29 114.93 119.61 1s7a h MET 10 Ca 0.48 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 58.09 1s7a h MET 10 Cb 0.67 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1s7a h MET 10 CO -0.25 0.55 0.04 0.00 1.06 0.00 0.00 176.91 178.31 1s7a h ALA 11 N 1.59 0.17 -0.09 6.32 0.00 -1.02 0.28 119.26 126.51 1s7a h ALA 11 Ca 0.27 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1s7a h ALA 11 Cb 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1s7a h ALA 11 CO -0.07 -0.40 -0.54 0.00 0.00 0.00 0.00 179.25 178.24 1s7a h ALA 12 N 1.11 0.92 -0.11 0.00 0.00 -1.38 -2.97 119.26 116.83 1s7a h ALA 12 Ca 0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1s7a h ALA 12 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1s7a h ALA 12 CO -0.09 0.69 -0.42 1.25 0.00 0.00 0.00 179.25 180.68 1s7a h LEU 13 N 0.20 0.25 -0.49 0.00 6.46 -0.33 -2.79 115.31 118.60 1s7a h LEU 13 Ca 0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1s7a h LEU 13 Cb 1.02 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1s7a h LEU 13 CO 0.09 0.65 0.33 -0.08 -0.62 0.00 0.00 178.44 178.80 1s7a h GLU 14 N 0.20 0.65 -0.45 1.25 4.81 -0.30 -2.16 114.58 118.58 1s7a h GLU 14 Ca 0.02 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1s7a h GLU 14 Cb 0.83 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1s7a h GLU 14 CO 0.07 0.43 -0.24 0.00 -0.73 0.00 0.00 179.01 178.54 1s7a h ALA 15 N 1.18 0.72 -0.81 2.92 0.00 -1.57 -2.97 119.26 118.73 1s7a h ALA 15 Ca 0.18 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1s7a h ALA 15 Cb -0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1s7a h ALA 15 CO -0.04 0.67 0.51 0.87 0.00 0.00 0.00 179.25 181.25 1s7a h LYS 16 N 0.81 0.92 -0.44 0.00 6.56 -1.20 -0.36 116.57 122.86 1s7a h LYS 16 Ca 0.10 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1s7a h LYS 16 Cb 0.81 -0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 32.24 1s7a h LYS 16 CO 0.07 0.61 0.22 0.82 -2.06 0.00 0.00 179.45 179.11 1s7a h ILE 17 N 0.95 1.17 -0.63 1.86 2.04 -1.28 -1.87 117.51 119.74 1s7a h ILE 17 Ca 0.34 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1s7a h ILE 17 Cb 0.10 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1s7a h ILE 17 CO -0.15 0.18 0.11 0.00 0.00 0.00 0.00 178.15 178.29 1s7a h HIS 19 N 0.97 1.02 -0.08 0.00 2.76 -0.74 -0.68 115.15 118.40 1s7a h HIS 19 Ca 0.20 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1s7a h HIS 19 Cb 0.41 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1s7a h HIS 19 CO 0.03 0.77 0.03 1.96 -1.30 0.00 0.00 177.93 179.41 1s7a h GLN 20 N 0.99 0.12 -0.67 5.26 7.50 -1.03 -1.51 115.11 125.78 1s7a h GLN 20 Ca 0.24 -0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.41 1s7a h GLN 20 Cb 0.16 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.64 1s7a h GLN 20 CO -0.02 0.26 0.44 0.82 -1.50 0.00 0.00 178.83 178.83 1s7a h ILE 21 N -0.05 1.05 -0.45 2.54 1.08 -1.22 0.13 117.51 120.58 1s7a h ILE 21 Ca 0.03 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1s7a h ILE 21 Cb 0.19 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 1s7a h ILE 21 CO -0.00 0.13 0.25 -0.08 -0.69 0.00 0.00 178.15 177.76 1s7a h GLU 22 N 0.73 0.61 -0.53 2.37 4.81 -0.38 -1.09 114.58 121.09 1s7a h GLU 22 Ca 0.28 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1s7a h GLU 22 Cb 0.18 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1s7a h GLU 22 CO -0.08 0.45 0.35 -0.92 -0.73 0.00 0.00 179.01 178.08 1s7a h TYR 23 N 0.62 0.67 0.11 0.92 5.03 0.24 7.17 116.97 131.73 1s7a h TYR 23 Ca 0.16 0.02 -0.30 0.00 2.58 0.00 0.00 58.73 61.19 1s7a h TYR 23 Cb 0.01 -0.23 0.03 0.00 1.55 0.00 0.00 36.73 38.09 1s7a h TYR 23 CO 0.00 0.42 -1.23 1.88 -1.32 0.00 0.00 178.16 177.91 1s7a h TYR 24 N 0.72 1.00 0.00 -3.82 0.05 -1.41 -3.19 116.97 110.31 1s7a h TYR 24 Ca 0.20 -0.62 -0.04 0.00 0.05 0.00 0.00 58.73 58.31 1s7a h TYR 24 Cb -0.08 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 1s7a h TYR 24 CO -0.04 1.46 -1.81 1.19 -1.05 0.00 0.00 178.16 177.91 1s7a n PHE 25 N -3.79 0.24 0.00 4.88 3.72 -0.45 -2.59 117.46 119.47 1s7a n PHE 25 Ca -0.13 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1s7a n PHE 25 Cb 0.98 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1s7a n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s7a n GLY 26 N 1.30 0.38 4.85 1.37 0.00 2.31 -4.42 105.19 110.98 1s7a n GLY 26 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1s7a n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s7a n ASP 27 N 1.79 0.00 -0.05 1.61 8.00 -1.26 -4.64 116.55 122.00 1s7a n ASP 27 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1s7a n ASP 27 Cb 0.00 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 40.35 1s7a n ASP 27 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1s7a h PHE 28 N 0.00 0.11 0.01 1.24 3.57 -1.80 -3.34 116.94 116.74 1s7a h PHE 28 Ca 0.00 -0.08 -0.20 0.00 3.53 0.00 0.00 57.97 61.22 1s7a h PHE 28 Cb 0.00 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1s7a h PHE 28 CO 0.00 1.07 -0.92 -0.91 -2.23 0.00 0.00 178.31 175.33 1s7a h ASN 29 N -0.87 0.22 -0.39 0.41 2.35 -1.57 -3.32 115.58 112.40 1s7a h ASN 29 Ca -0.03 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.57 1s7a h ASN 29 Cb 1.14 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.39 1s7a h ASN 29 CO 0.03 1.02 0.14 -0.07 -1.65 0.00 0.00 177.43 176.90 1s7a h LEU 30 N 0.08 0.16 -2.65 1.61 3.38 -1.66 2.69 115.31 118.93 1s7a h LEU 30 Ca -0.05 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1s7a h LEU 30 Cb 1.57 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1s7a h LEU 30 CO 0.14 0.13 0.05 -0.65 0.09 0.00 0.00 178.44 178.19 1s7a h PRO 31 N 0.30 0.00 -0.69 1.13 0.11 -1.68 -3.04 132.00 128.13 1s7a h PRO 31 Ca 0.18 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.98 1s7a h PRO 31 Cb 0.16 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.94 1s7a h PRO 31 CO -0.18 0.00 -0.96 -2.13 -0.21 0.00 0.00 178.00 174.51 1s7a n ARG 32 N -3.42 1.20 -3.40 1.05 0.63 0.13 -5.05 116.66 107.80 1s7a n ARG 32 Ca -0.02 -2.87 -0.44 0.00 -0.92 0.00 0.00 57.85 53.60 1s7a n ARG 32 Cb 0.13 -0.93 -0.06 0.00 0.45 0.00 0.00 32.46 32.05 1s7a n ARG 32 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1s7a s ASP 33 N -2.65 6.11 -0.02 6.15 1.11 0.88 -4.88 116.67 123.36 1s7a s ASP 33 Ca 0.25 -2.04 -0.23 0.00 0.18 0.00 0.00 52.55 50.72 1s7a s ASP 33 Cb 0.44 -2.14 -0.22 0.00 1.07 0.00 0.00 42.92 42.07 1s7a s ASP 33 CO -0.00 -0.74 1.09 0.07 1.18 0.00 0.00 175.17 176.77 1s7a h LYS 34 N 8.48 0.26 -0.34 8.23 2.10 -1.92 -2.60 116.57 130.78 1s7a h LYS 34 Ca -0.19 -0.26 -0.11 0.00 -2.00 0.00 0.00 60.65 58.10 1s7a h LYS 34 Cb 1.07 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 1s7a h LYS 34 CO 0.92 0.95 -0.20 0.27 -2.00 0.00 0.00 179.45 179.38 1s7a h PHE 35 N -0.32 0.86 -0.97 0.07 -0.00 -1.98 -2.97 116.94 111.63 1s7a h PHE 35 Ca -0.04 -0.23 0.02 0.00 -0.00 0.00 0.00 57.97 57.73 1s7a h PHE 35 Cb 1.05 -0.19 -0.05 0.00 -0.00 0.00 0.00 35.95 36.75 1s7a h PHE 35 CO 0.16 0.96 0.64 1.25 -0.00 0.00 0.00 178.31 181.31 1s7a h LEU 36 N 0.51 1.09 -1.70 2.10 7.12 -1.96 -0.56 115.31 121.91 1s7a h LEU 36 Ca 0.07 -0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.09 1s7a h LEU 36 Cb 0.75 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.60 1s7a h LEU 36 CO 0.06 0.77 0.26 0.50 -0.13 0.00 0.00 178.44 179.90 1s7a h LYS 37 N 1.27 0.37 -0.31 1.25 1.63 -1.31 0.10 116.57 119.58 1s7a h LYS 37 Ca 0.37 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 60.05 1s7a h LYS 37 Cb -0.09 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 1s7a h LYS 37 CO -0.09 0.25 -0.19 0.93 -3.45 0.00 0.00 179.45 176.90 1s7a h GLU 38 N 0.39 0.67 -0.25 1.90 5.08 -0.97 0.16 114.58 121.55 1s7a h GLU 38 Ca 0.16 -0.31 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 1s7a h GLU 38 Cb 0.16 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1s7a h GLU 38 CO -0.04 0.91 -0.51 1.96 -1.00 0.00 0.00 179.01 180.33 1s7a h GLN 39 N 0.43 0.80 -0.26 2.33 1.08 -0.95 -0.14 115.11 118.40 1s7a h GLN 39 Ca 0.06 -0.52 -0.12 0.00 -1.45 0.00 0.00 58.65 56.62 1s7a h GLN 39 Cb 0.73 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1s7a h GLN 39 CO 0.05 1.15 -0.35 -0.84 -0.95 0.00 0.00 178.83 177.89 1s7a h ILE 40 N 0.55 1.29 0.01 2.54 3.07 -0.83 -2.97 117.51 121.17 1s7a h ILE 40 Ca 0.01 -1.48 -0.19 0.00 1.55 0.00 0.00 64.86 64.75 1s7a h ILE 40 Cb 1.12 1.47 -0.02 0.00 -0.27 0.00 0.00 36.82 39.13 1s7a h ILE 40 CO 0.11 0.47 -0.87 0.11 -1.05 0.00 0.00 178.15 176.92 1s7a h LYS 41 N 0.48 0.11 0.00 0.16 1.79 -0.92 -2.78 116.57 115.41 1s7a h LYS 41 Ca 0.05 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1s7a h LYS 41 Cb 0.84 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1s7a h LYS 41 CO 0.07 0.91 0.00 -0.11 -1.08 0.00 0.00 179.45 179.24 1s7a n LEU 42 N -3.60 0.00 -3.30 2.94 7.94 -0.07 -4.65 117.00 116.26 1s7a n LEU 42 Ca -0.02 0.47 0.03 0.00 -1.11 0.00 0.00 56.01 55.37 1s7a n LEU 42 Cb 0.81 -0.14 -0.02 0.00 0.53 0.00 0.00 43.42 44.60 1s7a n LEU 42 CO 0.47 -0.14 0.41 -0.62 -1.11 0.00 0.00 177.39 176.39 1s7a s ASP 43 N -2.41 -0.89 0.00 1.96 2.15 -1.26 -4.93 116.67 111.29 1s7a s ASP 43 Ca 0.00 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.81 1s7a s ASP 43 Cb 0.00 1.86 0.00 0.00 -0.30 0.00 0.00 42.92 44.48 1s7a s ASP 43 CO 0.00 -0.17 0.00 1.21 -0.17 0.00 0.00 175.17 176.04 1s7a n GLU 44 N 5.32 0.00 0.00 4.34 2.13 -1.26 -3.67 120.64 127.50 1s7a n GLU 44 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1s7a n GLU 44 Cb 0.52 -0.55 0.00 0.00 0.27 0.00 0.00 31.44 31.68 1s7a n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s7a n GLY 45 N -1.16 0.54 3.66 8.31 0.00 -1.05 -5.03 105.19 110.46 1s7a n GLY 45 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s7a n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s7a s TRP 46 N -2.15 2.08 0.04 1.61 0.23 -1.24 -4.36 118.94 115.15 1s7a s TRP 46 Ca 0.00 0.25 0.00 0.00 -2.03 0.00 0.00 56.10 54.33 1s7a s TRP 46 Cb 0.00 -3.90 -0.04 0.00 0.03 0.00 0.00 33.47 29.56 1s7a s TRP 46 CO 0.00 -3.73 0.16 0.08 0.96 0.00 0.00 176.95 174.42 1s7a s VAL 47 N 3.83 5.10 0.02 4.03 1.01 0.50 -4.82 120.40 130.06 1s7a s VAL 47 Ca 0.72 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 1s7a s VAL 47 Cb -0.33 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 1s7a s VAL 47 CO 0.29 0.20 0.45 -2.16 0.00 0.00 0.00 175.10 173.88 1s7a s PRO 48 N -2.28 3.99 0.00 2.72 0.04 -1.26 0.20 135.00 138.40 1s7a s PRO 48 Ca 0.31 0.50 0.04 0.00 0.04 0.00 0.00 61.00 61.88 1s7a s PRO 48 Cb -0.13 -3.23 0.21 0.00 0.04 0.00 0.00 34.50 31.40 1s7a s PRO 48 CO 0.23 0.68 0.77 1.28 0.04 0.00 0.00 177.00 179.99 1s7a n LEU 49 N 1.80 0.00 -0.15 -3.56 4.77 -1.24 -1.74 117.00 116.87 1s7a n LEU 49 Ca -0.13 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 1s7a n LEU 49 Cb 0.52 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1s7a n LEU 49 CO 0.38 -0.07 0.77 1.05 -1.33 0.00 0.00 177.39 178.19 1s7a h GLU 50 N 0.00 0.81 -0.70 3.23 4.11 -1.91 1.89 114.58 122.00 1s7a h GLU 50 Ca 0.00 -0.28 -0.03 0.00 0.07 0.00 0.00 59.36 59.12 1s7a h GLU 50 Cb 0.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1s7a h GLU 50 CO 0.00 0.89 0.33 0.82 0.07 0.00 0.00 179.01 181.12 1s7a h ILE 51 N 0.65 1.23 0.12 -1.06 5.03 -1.75 0.17 117.51 121.89 1s7a h ILE 51 Ca 0.12 -0.65 -0.21 0.00 -0.12 0.00 0.00 64.86 64.00 1s7a h ILE 51 Cb 0.55 0.33 0.02 0.00 -3.03 0.00 0.00 36.82 34.70 1s7a h ILE 51 CO 0.03 0.27 -0.90 0.24 -0.68 0.00 0.00 178.15 177.11 1s7a h MET 52 N 1.00 0.40 -0.02 2.37 2.86 -1.52 -2.74 114.93 117.28 1s7a h MET 52 Ca 0.24 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1s7a h MET 52 Cb 0.11 0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1s7a h MET 52 CO -0.03 1.26 0.00 0.44 1.06 0.00 0.00 176.91 179.64 1s7a n ILE 53 N -4.05 0.02 -0.01 -1.22 -6.64 0.64 -3.37 119.36 104.72 1s7a n ILE 53 Ca -0.13 -0.05 0.02 0.00 -1.77 0.00 0.00 62.75 60.82 1s7a n ILE 53 Cb 0.85 -0.25 -0.06 0.00 -1.44 0.00 0.00 39.64 38.74 1s7a n ILE 53 CO 0.00 0.00 0.00 2.29 -1.77 0.00 0.00 176.55 177.07 1s7a n LYS 54 N -0.70 0.74 -2.51 6.28 -0.00 0.58 -4.48 118.16 118.07 1s7a n LYS 54 Ca 0.18 -0.06 -0.41 0.00 -0.00 0.00 0.00 58.31 58.02 1s7a n LYS 54 Cb 0.12 -1.18 -0.04 0.00 -0.00 0.00 0.00 35.03 33.94 1s7a n LYS 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1s7a s PHE 55 N -2.46 3.58 0.64 5.58 0.08 -1.03 -4.81 117.98 119.57 1s7a s PHE 55 Ca -0.03 1.58 0.34 0.00 0.12 0.00 0.00 56.93 58.94 1s7a s PHE 55 Cb 0.04 -3.28 1.87 0.00 -0.57 0.00 0.00 43.02 41.08 1s7a s PHE 55 CO 0.31 -0.64 2.10 -0.91 -0.10 0.00 0.00 175.22 175.98 1s7a h ASN 56 N 5.21 0.00 -0.53 1.36 4.21 -1.92 0.41 115.58 124.32 1s7a h ASN 56 Ca -0.44 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.08 1s7a h ASN 56 Cb 1.21 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.38 1s7a h ASN 56 CO 0.73 0.00 0.34 0.03 -1.29 0.00 0.00 177.43 177.24 1s7a h ARG 57 N 0.00 0.68 0.00 0.81 2.47 -1.90 -3.15 114.38 113.29 1s7a h ARG 57 Ca 0.03 -0.04 -0.18 0.00 -1.26 0.00 0.00 59.98 58.53 1s7a h ARG 57 Cb 0.44 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 1s7a h ARG 57 CO -0.00 0.45 -1.69 -0.11 0.56 0.00 0.00 179.97 179.17 1s7a n LEU 58 N -4.74 0.22 0.28 3.04 7.94 -0.69 -4.48 117.00 118.57 1s7a n LEU 58 Ca 0.03 -0.01 0.18 0.00 -1.11 0.00 0.00 56.01 55.11 1s7a n LEU 58 Cb 0.04 0.20 0.91 0.00 0.53 0.00 0.00 43.42 45.09 1s7a n LEU 58 CO 0.34 0.28 1.15 -1.13 -1.11 0.00 0.00 177.39 176.93 1s7a h ASN 59 N 0.00 0.00 -0.12 1.96 -0.73 -0.28 0.31 115.58 116.72 1s7a h ASN 59 Ca -0.27 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.90 1s7a h ASN 59 Cb 1.61 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.20 1s7a h ASN 59 CO 0.01 0.00 0.00 0.54 -0.37 0.00 0.00 177.43 177.61 1s7a n ARG 60 N -3.28 1.28 0.00 6.67 5.12 -1.19 -4.58 116.66 120.67 1s7a n ARG 60 Ca -0.00 -0.43 0.00 0.00 -1.93 0.00 0.00 57.85 55.48 1s7a n ARG 60 Cb 0.32 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.49 1s7a n ARG 60 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1s7a n LEU 61 N -0.17 0.00 0.00 0.55 4.77 0.11 -5.06 117.00 117.19 1s7a n LEU 61 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1s7a n LEU 61 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1s7a n LEU 61 CO 0.04 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.51 1s7a n THR 62 N -0.01 0.00 -0.58 -5.08 -1.04 -1.21 -4.94 114.28 101.41 1s7a n THR 62 Ca 0.00 0.37 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 1s7a n THR 62 Cb 0.00 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 1s7a n THR 62 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1s7a n THR 63 N -2.09 0.00 -2.80 12.58 -1.04 -1.26 -4.95 114.28 114.72 1s7a n THR 63 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1s7a n THR 63 Cb 0.00 -0.12 -0.04 0.00 -1.82 0.00 0.00 70.33 68.35 1s7a n THR 63 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1s7a s ASP 64 N -2.87 6.42 0.30 8.00 1.11 -1.26 -4.88 116.67 123.48 1s7a s ASP 64 Ca 0.00 -0.11 0.03 0.00 0.18 0.00 0.00 52.55 52.65 1s7a s ASP 64 Cb 0.00 -2.45 0.75 0.00 1.07 0.00 0.00 42.92 42.29 1s7a s ASP 64 CO 0.00 -1.18 1.63 -0.26 1.18 0.00 0.00 175.17 176.54 1s7a h PHE 65 N 9.24 0.33 -0.19 4.23 0.04 -1.96 1.74 116.94 130.37 1s7a h PHE 65 Ca -0.25 0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.44 1s7a h PHE 65 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1s7a h PHE 65 CO 0.91 -0.25 -0.40 -0.91 -0.60 0.00 0.00 178.31 177.05 1s7a h ASN 66 N 0.17 0.69 -0.17 2.17 2.35 -1.94 -1.74 115.58 117.11 1s7a h ASN 66 Ca 0.58 -0.55 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 1s7a h ASN 66 Cb 1.19 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1s7a h ASN 66 CO -0.70 1.11 -0.39 0.58 -1.65 0.00 0.00 177.43 176.39 1s7a h VAL 67 N 0.29 1.34 -0.28 2.81 2.07 -1.17 -1.70 116.25 119.61 1s7a h VAL 67 Ca 0.00 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1s7a h VAL 67 Cb 1.00 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1s7a h VAL 67 CO 0.09 0.50 0.12 -0.29 0.02 0.00 0.00 177.57 178.01 1s7a h ILE 68 N 0.21 1.17 -0.37 4.57 2.10 0.24 -1.92 117.51 123.51 1s7a h ILE 68 Ca -0.00 -0.51 -0.07 0.00 1.08 0.00 0.00 64.86 65.36 1s7a h ILE 68 Cb 1.00 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1s7a h ILE 68 CO 0.09 0.17 -0.05 -0.37 -1.08 0.00 0.00 178.15 176.91 1s7a h VAL 69 N 0.30 1.27 -0.54 2.19 -1.51 -1.37 -2.26 116.25 114.34 1s7a h VAL 69 Ca 0.09 -1.10 0.03 0.00 -1.23 0.00 0.00 66.70 64.49 1s7a h VAL 69 Cb 0.17 1.23 -0.04 0.00 -2.13 0.00 0.00 31.29 30.52 1s7a h VAL 69 CO -0.01 0.36 0.32 -0.08 -1.23 0.00 0.00 177.57 176.93 1s7a h GLU 70 N 0.50 0.61 0.14 5.19 4.81 -1.20 1.99 114.58 126.61 1s7a h GLU 70 Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1s7a h GLU 70 Cb 0.55 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1s7a h GLU 70 CO 0.03 0.40 -0.07 0.00 -0.73 0.00 0.00 179.01 178.64 1s7a h ALA 71 N 1.25 -0.18 0.00 2.92 0.00 -1.28 -2.83 119.26 119.13 1s7a h ALA 71 Ca 0.22 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1s7a h ALA 71 Cb 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1s7a h ALA 71 CO -0.11 -0.49 -0.62 1.37 0.00 0.00 0.00 179.25 179.40 1s7a h LEU 72 N -0.41 0.00 -1.40 0.00 8.10 -1.22 0.47 115.31 120.85 1s7a h LEU 72 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 1s7a h LEU 72 Cb 0.33 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.53 1s7a h LEU 72 CO 0.03 0.62 0.15 0.77 -4.11 0.00 0.00 178.44 175.91 1s7a h SER 73 N 0.00 0.50 0.00 0.17 4.64 0.33 -2.95 113.55 116.24 1s7a h SER 73 Ca -0.01 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1s7a h SER 73 Cb 1.18 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1s7a h SER 73 CO 0.08 0.46 -1.30 0.29 -0.87 0.00 0.00 176.83 175.49 1s7a n LYS 74 N -4.38 0.63 -3.81 4.77 4.76 -1.08 -4.61 118.16 114.45 1s7a n LYS 74 Ca 0.03 -0.05 -0.36 0.00 -2.87 0.00 0.00 58.31 55.06 1s7a n LYS 74 Cb 0.14 -1.15 -0.13 0.00 -1.84 0.00 0.00 35.03 32.06 1s7a n LYS 74 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1s7a s SER 75 N -2.87 4.82 -1.62 4.39 0.01 0.16 -4.45 113.70 114.15 1s7a s SER 75 Ca -0.02 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1s7a s SER 75 Cb 0.04 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1s7a s SER 75 CO 0.26 -0.05 0.00 1.17 0.41 0.00 0.00 173.24 175.02 1s7a n LYS 76 N 4.87 -1.18 -0.16 12.44 0.00 -1.26 -4.14 118.16 128.73 1s7a n LYS 76 Ca -0.17 0.99 0.02 0.00 0.00 0.00 0.00 58.31 59.15 1s7a n LYS 76 Cb 0.51 -5.24 0.09 0.00 0.00 0.00 0.00 35.03 30.39 1s7a n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s7a n ALA 77 N 0.37 2.67 -0.10 3.14 0.00 -1.11 -3.52 120.51 121.95 1s7a n ALA 77 Ca -0.17 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 1s7a n ALA 77 Cb 0.57 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 1s7a n ALA 77 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1s7a n GLU 78 N 0.09 0.79 0.00 0.00 -0.00 -1.26 -4.62 120.64 115.64 1s7a n GLU 78 Ca 0.06 0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.27 1s7a n GLU 78 Cb 0.33 -1.49 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 1s7a n GLU 78 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1s7a n LEU 79 N -2.88 0.00 0.00 -1.84 0.00 -1.23 -4.75 117.00 106.30 1s7a n LEU 79 Ca -0.35 0.99 0.00 0.00 0.00 0.00 0.00 56.01 56.64 1s7a n LEU 79 Cb 1.07 -0.49 0.00 0.00 0.00 0.00 0.00 43.42 44.00 1s7a n LEU 79 CO 0.35 -0.49 0.00 0.23 0.00 0.00 0.00 177.39 177.48 1s7a n MET 80 N -2.53 2.68 -4.43 1.96 2.81 -1.26 -4.74 117.12 111.61 1s7a n MET 80 Ca 0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 1s7a n MET 80 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.38 1s7a n MET 80 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1s7a s GLU 81 N 2.48 1.24 0.03 0.03 2.02 -1.15 -4.91 118.70 118.44 1s7a s GLU 81 Ca 0.00 -1.08 0.08 0.00 0.02 0.00 0.00 54.97 53.99 1s7a s GLU 81 Cb 0.00 -1.45 -0.02 0.00 0.10 0.00 0.00 34.13 32.76 1s7a s GLU 81 CO 0.00 0.35 -0.22 0.42 0.02 0.00 0.00 175.26 175.83 1s7a s ILE 82 N -1.01 1.80 0.00 -1.63 1.09 -1.26 -2.96 121.20 117.23 1s7a s ILE 82 Ca 0.07 -1.17 0.00 0.00 -1.10 0.00 0.00 60.65 58.45 1s7a s ILE 82 Cb -0.10 -1.54 0.00 0.00 -1.06 0.00 0.00 42.46 39.77 1s7a s ILE 82 CO 0.03 0.33 0.00 -0.24 -0.10 0.00 0.00 174.94 174.96 1s7a n SER 83 N 2.03 -0.95 0.07 3.58 2.88 -1.26 -4.92 113.62 115.04 1s7a n SER 83 Ca -0.17 -0.32 -0.16 0.00 -1.33 0.00 0.00 58.87 56.90 1s7a n SER 83 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 1s7a n SER 83 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1s7a h GLU 84 N 0.00 0.23 0.00 -1.46 4.11 -2.01 -3.28 114.58 112.17 1s7a h GLU 84 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1s7a h GLU 84 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1s7a h GLU 84 CO 0.00 1.10 0.00 -0.25 0.07 0.00 0.00 179.01 179.93 1s7a n ASP 85 N -3.44 0.47 -1.67 3.06 8.00 -1.26 -4.86 116.55 116.84 1s7a n ASP 85 Ca -0.14 0.60 -0.18 0.00 0.71 0.00 0.00 54.79 55.79 1s7a n ASP 85 Cb 1.03 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 1s7a n ASP 85 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1s7a n LYS 86 N -2.01 -1.33 -0.63 -1.24 4.81 -1.24 -4.85 118.16 111.67 1s7a n LYS 86 Ca 0.03 1.01 0.05 0.00 -0.87 0.00 0.00 58.31 58.53 1s7a n LYS 86 Cb 0.25 -5.37 0.21 0.00 0.02 0.00 0.00 35.03 30.13 1s7a n LYS 86 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1s7a n THR 87 N -3.18 2.25 -3.46 3.15 -2.24 -1.26 -4.70 114.28 104.83 1s7a n THR 87 Ca -0.19 -3.21 -0.13 0.00 -2.27 0.00 0.00 64.05 58.25 1s7a n THR 87 Cb 0.62 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1s7a n THR 87 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1s7a s LYS 88 N -3.25 1.14 0.04 -0.78 0.00 -1.26 -3.71 119.74 111.93 1s7a s LYS 88 Ca 0.39 -0.24 0.02 0.00 0.00 0.00 0.00 55.97 56.14 1s7a s LYS 88 Cb 0.37 0.53 -0.02 0.00 0.00 0.00 0.00 37.83 38.71 1s7a s LYS 88 CO -0.06 -0.46 -0.08 0.96 0.00 0.00 0.00 175.35 175.71 1s7a s ILE 89 N -2.92 0.54 0.09 3.79 -4.36 0.52 -4.14 121.20 114.71 1s7a s ILE 89 Ca -0.02 -1.10 -0.11 0.00 -0.26 0.00 0.00 60.65 59.16 1s7a s ILE 89 Cb -0.01 -0.63 0.01 0.00 1.25 0.00 0.00 42.46 43.08 1s7a s ILE 89 CO -0.06 -0.40 0.26 -0.60 0.24 0.00 0.00 174.94 174.38 1s7a s ARG 90 N -1.64 0.88 -0.01 0.37 3.52 -1.16 0.19 118.95 121.10 1s7a s ARG 90 Ca -0.10 -0.79 -0.18 0.00 -0.13 0.00 0.00 55.73 54.53 1s7a s ARG 90 Cb -0.10 0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 33.61 1s7a s ARG 90 CO 0.00 -0.30 0.52 0.50 -0.81 0.00 0.00 175.30 175.22 1s7a s ARG 91 N -3.53 4.21 -0.32 5.12 3.00 -1.26 -2.92 118.95 123.25 1s7a s ARG 91 Ca 0.02 0.60 -0.28 0.00 -1.00 0.00 0.00 55.73 55.07 1s7a s ARG 91 Cb 0.03 -3.32 -0.03 0.00 0.00 0.00 0.00 34.95 31.63 1s7a s ARG 91 CO -0.09 0.44 1.97 -1.12 0.00 0.00 0.00 175.30 176.50 1s7a s SER 92 N -0.38 5.63 0.54 -2.12 0.01 -1.26 -4.79 113.70 111.33 1s7a s SER 92 Ca 0.28 1.42 0.31 0.00 1.31 0.00 0.00 55.95 59.28 1s7a s SER 92 Cb -0.17 -2.52 1.54 0.00 0.21 0.00 0.00 66.02 65.07 1s7a s SER 92 CO 0.15 -1.90 2.08 1.55 0.41 0.00 0.00 173.24 175.53 1s7a h PRO 93 N 14.09 0.00 -0.06 12.44 0.13 -1.99 -0.75 132.00 155.86 1s7a h PRO 93 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1s7a h PRO 93 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s7a h PRO 93 CO 1.03 0.08 0.00 0.43 -0.23 0.00 0.00 178.00 179.31 1s7a n SER 94 N -3.40 1.26 -4.26 1.44 7.64 -1.26 -4.78 113.62 110.25 1s7a n SER 94 Ca -0.01 -1.51 -0.32 0.00 1.01 0.00 0.00 58.87 58.04 1s7a n SER 94 Cb 0.25 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.25 1s7a n SER 94 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1s7a s LYS 95 N -1.93 3.12 0.52 1.43 1.02 -0.29 -5.11 119.74 118.50 1s7a s LYS 95 Ca 0.36 -0.83 -0.21 0.00 0.02 0.00 0.00 55.97 55.32 1s7a s LYS 95 Cb 0.19 -2.38 -0.06 0.00 -0.52 0.00 0.00 37.83 35.06 1s7a s LYS 95 CO 0.30 0.20 1.16 -1.25 -0.92 0.00 0.00 175.35 174.84 1s7a s PRO 96 N 0.32 3.45 -0.17 -1.68 0.04 -1.26 -4.81 135.00 130.89 1s7a s PRO 96 Ca -0.16 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.60 1s7a s PRO 96 Cb -0.17 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1s7a s PRO 96 CO 0.08 -0.80 -0.16 -0.48 0.04 0.00 0.00 177.00 175.69 1s7a s LEU 97 N -3.55 1.93 0.31 -3.56 0.05 -1.26 -5.11 118.68 107.49 1s7a s LEU 97 Ca 0.70 -0.60 -0.03 0.00 0.05 0.00 0.00 54.13 54.25 1s7a s LEU 97 Cb -0.27 -1.29 -0.04 0.00 -2.05 0.00 0.00 46.19 42.53 1s7a s LEU 97 CO 0.31 -0.05 0.56 -2.16 -0.55 0.00 0.00 176.35 174.46 1s7a s PRO 98 N 1.40 3.58 0.13 1.48 0.04 -1.26 -4.98 135.00 135.39 1s7a s PRO 98 Ca 0.04 -0.09 -0.12 0.00 0.04 0.00 0.00 61.00 60.87 1s7a s PRO 98 Cb -0.13 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 1s7a s PRO 98 CO -0.11 0.18 0.49 -2.00 0.04 0.00 0.00 177.00 175.59 1s7a s GLU 99 N -3.83 3.86 0.45 4.56 2.12 -1.26 -4.61 118.70 119.99 1s7a s GLU 99 Ca 0.43 0.32 -0.20 0.00 0.36 0.00 0.00 54.97 55.87 1s7a s GLU 99 Cb -0.10 -2.91 -0.10 0.00 0.26 0.00 0.00 34.13 31.28 1s7a s GLU 99 CO 0.33 0.48 0.98 0.14 -0.54 0.00 0.00 175.26 176.65 1s7a s VAL 100 N -1.50 4.25 0.24 3.70 -7.23 -1.26 -5.04 120.40 113.56 1s7a s VAL 100 Ca 0.38 1.37 -0.17 0.00 -1.81 0.00 0.00 61.98 61.74 1s7a s VAL 100 Cb -0.14 -3.57 -0.08 0.00 0.56 0.00 0.00 36.38 33.15 1s7a s VAL 100 CO 0.19 -0.33 0.70 0.42 -0.31 0.00 0.00 175.10 175.77 1s7a s THR 101 N -2.17 4.65 0.18 5.32 -4.23 -1.26 -5.06 115.64 113.07 1s7a s THR 101 Ca 0.63 1.10 -0.15 0.00 -1.18 0.00 0.00 61.69 62.09 1s7a s THR 101 Cb -0.11 -3.76 -0.07 0.00 1.34 0.00 0.00 72.50 69.90 1s7a s THR 101 CO 0.16 0.08 0.59 -1.81 -0.54 0.00 0.00 174.62 173.11 1s7a s ASP 102 N -1.87 6.84 0.00 3.99 1.01 -1.26 -5.25 116.67 120.12 1s7a s ASP 102 Ca 0.46 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.85 1s7a s ASP 102 Cb -0.14 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1s7a s ASP 102 CO 0.20 0.05 0.00 -0.62 0.21 0.00 0.00 175.17 175.01