#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 0.01 3.04 0.00 -1.26 -4.54 120.51 117.76 1s7a n ALA 2 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.43 1s7a n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1s7a n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1s7a n GLU 3 N -1.94 0.65 0.00 0.00 0.28 -1.26 -4.68 120.64 113.69 1s7a n GLU 3 Ca 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1s7a n GLU 3 Cb 0.00 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.27 1s7a n GLU 3 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1s7a n ASN 4 N -2.40 0.00 0.00 -1.84 3.02 -1.26 -4.96 115.26 107.81 1s7a n ASN 4 Ca -0.05 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1s7a n ASN 4 Cb 0.60 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1s7a n ASN 4 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s7a n GLY 5 N 2.36 3.03 3.65 7.41 0.00 -1.26 -4.94 105.19 115.44 1s7a n GLY 5 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 1s7a n GLY 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s7a s ASP 6 N 0.00 -0.03 0.00 1.61 -1.08 -1.26 -4.82 116.67 111.10 1s7a s ASP 6 Ca 0.00 0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.06 1s7a s ASP 6 Cb 0.00 0.03 0.00 0.00 -1.46 0.00 0.00 42.92 41.49 1s7a s ASP 6 CO 0.00 -0.02 0.00 0.59 0.52 0.00 0.00 175.17 176.26 1s7a n ASN 7 N 0.77 4.52 0.07 -0.34 3.02 -1.26 -4.57 115.26 117.46 1s7a n ASN 7 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.40 1s7a n ASN 7 Cb 0.58 0.72 -0.08 0.00 -0.61 0.00 0.00 39.78 40.39 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1s7a h GLU 8 N 0.00 -0.11 0.00 3.52 4.57 -2.02 -2.61 114.58 117.93 1s7a h GLU 8 Ca 0.00 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1s7a h GLU 8 Cb 0.37 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1s7a h GLU 8 CO 0.00 0.06 -0.14 -0.22 -1.18 0.00 0.00 179.01 177.54 1s7a h LYS 9 N -0.27 0.00 -0.72 1.92 3.64 -2.00 -2.30 116.57 116.84 1s7a h LYS 9 Ca -0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1s7a h LYS 9 Cb 0.23 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1s7a h LYS 9 CO 0.02 0.14 0.47 1.98 -2.27 0.00 0.00 179.45 179.79 1s7a h MET 10 N 0.00 0.88 -0.32 1.90 4.05 -1.71 -1.08 114.93 118.65 1s7a h MET 10 Ca -0.00 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1s7a h MET 10 Cb 0.24 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 1s7a h MET 10 CO 0.02 0.58 0.16 0.00 0.23 0.00 0.00 176.91 177.90 1s7a h ALA 11 N 1.57 0.39 -0.09 0.39 0.00 -1.30 -2.04 119.26 118.20 1s7a h ALA 11 Ca 0.28 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 1s7a h ALA 11 Cb -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1s7a h ALA 11 CO -0.07 -0.21 -0.51 0.00 0.00 0.00 0.00 179.25 178.46 1s7a h ALA 12 N 1.16 0.98 -0.53 0.00 0.00 -1.53 -2.80 119.26 116.55 1s7a h ALA 12 Ca 0.13 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1s7a h ALA 12 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1s7a h ALA 12 CO -0.09 0.66 0.35 1.25 0.00 0.00 0.00 179.25 181.42 1s7a h LEU 13 N 0.18 0.60 -0.17 0.00 5.85 -0.54 0.36 115.31 121.60 1s7a h LEU 13 Ca 0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1s7a h LEU 13 Cb 0.96 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1s7a h LEU 13 CO 0.08 0.44 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.17 1s7a h GLU 14 N 0.72 0.37 -0.97 1.25 4.39 -1.35 -2.08 114.58 116.91 1s7a h GLU 14 Ca 0.20 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.77 1s7a h GLU 14 Cb -0.08 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 1s7a h GLU 14 CO -0.05 0.71 0.64 0.00 -1.16 0.00 0.00 179.01 179.15 1s7a h ALA 15 N 0.66 1.39 -0.41 3.43 0.00 -1.28 -1.92 119.26 121.12 1s7a h ALA 15 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1s7a h ALA 15 Cb 0.61 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1s7a h ALA 15 CO 0.03 0.50 -0.33 0.87 0.00 0.00 0.00 179.25 180.32 1s7a h LYS 16 N 1.20 0.93 -0.68 0.00 6.56 -0.85 -2.78 116.57 120.95 1s7a h LYS 16 Ca 0.40 -0.45 -0.02 0.00 -1.06 0.00 0.00 60.65 59.52 1s7a h LYS 16 Cb 0.06 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.69 1s7a h LYS 16 CO -0.13 1.11 0.36 0.82 -2.06 0.00 0.00 179.45 179.55 1s7a h ILE 17 N 0.77 1.22 -0.39 1.86 2.04 -0.71 -2.32 117.51 119.98 1s7a h ILE 17 Ca 0.08 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1s7a h ILE 17 Cb 0.91 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1s7a h ILE 17 CO 0.08 0.24 0.15 0.00 0.00 0.00 0.00 178.15 178.62 1s7a h HIS 19 N 0.48 0.73 -0.14 0.00 3.86 -1.24 -1.78 115.15 117.06 1s7a h HIS 19 Ca 0.13 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1s7a h HIS 19 Cb 0.20 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1s7a h HIS 19 CO 0.00 0.40 0.07 1.96 0.86 0.00 0.00 177.93 181.21 1s7a h GLN 20 N 0.73 0.20 -0.65 2.45 1.08 -0.99 -1.75 115.11 116.18 1s7a h GLN 20 Ca 0.29 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.51 1s7a h GLN 20 Cb 0.22 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.57 1s7a h GLN 20 CO -0.09 0.25 0.43 0.82 -0.95 0.00 0.00 178.83 179.29 1s7a h ILE 21 N 0.10 1.04 -0.50 2.54 1.08 -1.17 0.29 117.51 120.89 1s7a h ILE 21 Ca 0.05 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1s7a h ILE 21 Cb 0.12 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 1s7a h ILE 21 CO -0.01 0.13 0.33 -0.08 -0.69 0.00 0.00 178.15 177.83 1s7a h GLU 22 N 0.70 0.64 -0.36 2.37 4.22 -0.52 -1.05 114.58 120.59 1s7a h GLU 22 Ca 0.27 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.64 1s7a h GLU 22 Cb 0.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1s7a h GLU 22 CO -0.08 0.43 0.08 -0.92 -2.18 0.00 0.00 179.01 176.34 1s7a h TYR 23 N 0.66 0.61 0.12 0.92 3.20 -0.32 3.01 116.97 125.18 1s7a h TYR 23 Ca 0.18 -0.07 -0.30 0.00 3.14 0.00 0.00 58.73 61.68 1s7a h TYR 23 Cb -0.06 -0.17 0.03 0.00 1.54 0.00 0.00 36.73 38.07 1s7a h TYR 23 CO -0.00 0.61 -1.23 1.88 -1.64 0.00 0.00 178.16 177.78 1s7a h TYR 24 N 0.43 1.01 0.00 -3.82 0.05 -1.43 -3.21 116.97 110.00 1s7a h TYR 24 Ca 0.11 -0.63 -0.11 0.00 0.05 0.00 0.00 58.73 58.15 1s7a h TYR 24 Cb 0.31 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1s7a h TYR 24 CO 0.02 1.47 -1.71 1.19 -1.05 0.00 0.00 178.16 178.08 1s7a n PHE 25 N -3.81 0.47 0.00 4.88 3.01 -0.43 -2.35 117.46 119.23 1s7a n PHE 25 Ca -0.14 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1s7a n PHE 25 Cb 0.98 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1s7a n PHE 25 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s7a n GLY 26 N 1.37 0.37 4.83 1.37 0.00 1.01 -4.34 105.19 109.79 1s7a n GLY 26 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1s7a n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s7a n ASP 27 N 1.85 0.00 -0.04 1.61 2.03 -1.26 -4.60 116.55 116.13 1s7a n ASP 27 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1s7a n ASP 27 Cb 0.00 -0.78 -0.13 0.00 -0.72 0.00 0.00 41.12 39.49 1s7a n ASP 27 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1s7a h PHE 28 N 0.00 0.13 0.06 -0.67 3.04 -1.80 -3.34 116.94 114.36 1s7a h PHE 28 Ca 0.00 -0.10 -0.24 0.00 3.98 0.00 0.00 57.97 61.61 1s7a h PHE 28 Cb 0.00 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.50 1s7a h PHE 28 CO 0.00 1.09 -1.06 -0.91 -2.02 0.00 0.00 178.31 175.41 1s7a h ASN 29 N -0.85 0.38 -0.95 0.41 4.21 -1.56 -3.33 115.58 113.89 1s7a h ASN 29 Ca -0.04 -0.35 0.06 0.00 1.21 0.00 0.00 56.30 57.17 1s7a h ASN 29 Cb 1.17 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 38.19 1s7a h ASN 29 CO 0.03 1.21 0.62 -0.07 -1.29 0.00 0.00 177.43 177.93 1s7a h LEU 30 N 0.11 0.99 -2.80 1.61 3.38 -1.64 3.49 115.31 120.45 1s7a h LEU 30 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1s7a h LEU 30 Cb 1.75 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1s7a h LEU 30 CO 0.17 0.65 0.04 -0.65 0.09 0.00 0.00 178.44 178.74 1s7a h PRO 31 N 1.13 0.00 0.00 1.13 0.11 -1.68 -3.25 132.00 129.43 1s7a h PRO 31 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1s7a h PRO 31 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1s7a h PRO 31 CO -0.14 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.19 1s7a n ARG 32 N -3.17 0.00 -1.66 1.05 5.12 -0.58 -4.94 116.66 112.48 1s7a n ARG 32 Ca -0.03 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.50 1s7a n ARG 32 Cb 0.12 -0.10 -0.03 0.00 -1.16 0.00 0.00 32.46 31.29 1s7a n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1s7a s ASP 33 N 0.00 5.06 0.01 0.55 1.11 1.15 -4.82 116.67 119.73 1s7a s ASP 33 Ca 0.00 1.37 -0.20 0.00 0.18 0.00 0.00 52.55 53.89 1s7a s ASP 33 Cb 0.00 -2.51 -0.20 0.00 1.07 0.00 0.00 42.92 41.28 1s7a s ASP 33 CO 0.00 -2.36 1.17 0.11 1.18 0.00 0.00 175.17 175.28 1s7a h LYS 34 N 16.73 0.37 -0.49 8.23 1.79 -1.91 -0.41 116.57 140.88 1s7a h LYS 34 Ca -0.32 -0.32 -0.07 0.00 -2.18 0.00 0.00 60.65 57.77 1s7a h LYS 34 Cb 1.24 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 1s7a h LYS 34 CO 1.07 0.96 0.05 0.27 -1.08 0.00 0.00 179.45 180.72 1s7a h PHE 35 N -0.12 0.90 -0.22 -1.35 -5.15 -1.98 -2.23 116.94 106.79 1s7a h PHE 35 Ca -0.03 -0.14 -0.13 0.00 -0.20 0.00 0.00 57.97 57.47 1s7a h PHE 35 Cb 1.05 -0.24 -0.01 0.00 0.22 0.00 0.00 35.95 36.97 1s7a h PHE 35 CO 0.13 0.84 -0.41 1.25 -2.00 0.00 0.00 178.31 178.11 1s7a h LEU 36 N 0.70 0.55 -1.77 2.10 7.12 -1.95 -2.62 115.31 119.45 1s7a h LEU 36 Ca 0.14 -0.25 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1s7a h LEU 36 Cb 0.45 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.42 1s7a h LEU 36 CO 0.02 0.90 -0.16 0.11 -0.13 0.00 0.00 178.44 179.18 1s7a h LYS 37 N 0.43 0.00 -0.04 1.25 1.79 -0.80 -0.33 116.57 118.86 1s7a h LYS 37 Ca 0.04 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1s7a h LYS 37 Cb 0.91 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1s7a h LYS 37 CO 0.08 0.16 -0.06 1.49 -1.08 0.00 0.00 179.45 180.03 1s7a h GLU 38 N 0.00 0.11 -0.30 3.15 4.57 -1.02 -2.33 114.58 118.76 1s7a h GLU 38 Ca -0.00 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 57.97 1s7a h GLU 38 Cb 0.34 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1s7a h GLU 38 CO 0.02 0.63 -0.38 1.96 -1.18 0.00 0.00 179.01 180.06 1s7a h GLN 39 N -0.40 0.71 -0.85 1.92 7.50 -1.40 0.93 115.11 123.51 1s7a h GLN 39 Ca 0.00 -0.36 -0.02 0.00 0.50 0.00 0.00 58.65 58.77 1s7a h GLN 39 Cb 0.62 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.12 1s7a h GLN 39 CO 0.01 0.97 0.44 0.82 -1.50 0.00 0.00 178.83 179.57 1s7a h ILE 40 N 0.58 1.25 0.03 2.54 1.08 -1.09 -3.11 117.51 118.79 1s7a h ILE 40 Ca 0.05 -0.67 -0.32 0.00 -0.39 0.00 0.00 64.86 63.53 1s7a h ILE 40 Cb 0.91 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.76 1s7a h ILE 40 CO 0.08 0.30 -1.85 1.17 -0.69 0.00 0.00 178.15 177.16 1s7a n LYS 41 N -4.34 0.66 0.00 2.37 4.81 -0.88 -1.47 118.16 119.31 1s7a n LYS 41 Ca 0.09 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1s7a n LYS 41 Cb 0.12 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1s7a n LYS 41 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1s7a n LEU 42 N -3.11 0.00 -3.52 3.14 0.00 0.32 -4.17 117.00 109.66 1s7a n LEU 42 Ca -0.22 0.43 -0.29 0.00 0.00 0.00 0.00 56.01 55.93 1s7a n LEU 42 Cb 1.06 -0.12 -0.14 0.00 0.00 0.00 0.00 43.42 44.23 1s7a n LEU 42 CO 0.44 -0.12 -0.32 -0.62 0.00 0.00 0.00 177.39 176.77 1s7a s ASP 43 N -2.30 3.33 0.00 1.96 2.15 -1.26 -4.87 116.67 115.69 1s7a s ASP 43 Ca 0.00 -1.71 0.00 0.00 0.43 0.00 0.00 52.55 51.27 1s7a s ASP 43 Cb 0.00 -0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.21 1s7a s ASP 43 CO 0.00 -0.38 0.00 1.21 -0.17 0.00 0.00 175.17 175.83 1s7a n GLU 44 N 4.69 0.00 0.00 4.34 0.00 -1.26 -3.47 120.64 124.93 1s7a n GLU 44 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1s7a n GLU 44 Cb 0.40 -0.94 0.00 0.00 0.00 0.00 0.00 31.44 30.89 1s7a n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s7a n GLY 45 N -0.46 2.37 3.57 8.31 0.00 -0.54 -4.89 105.19 113.54 1s7a n GLY 45 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1s7a n GLY 45 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s7a n TRP 46 N -1.59 1.66 -4.02 1.61 7.02 -1.23 -4.30 117.44 116.59 1s7a n TRP 46 Ca 0.00 0.02 -0.34 0.00 -1.02 0.00 0.00 57.50 56.16 1s7a n TRP 46 Cb 0.00 -2.67 -0.06 0.00 -2.42 0.00 0.00 31.31 26.16 1s7a n TRP 46 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1s7a s VAL 47 N 10.17 5.06 0.12 -0.99 1.01 0.16 -4.85 120.40 131.08 1s7a s VAL 47 Ca 1.01 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.65 1s7a s VAL 47 Cb -0.30 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1s7a s VAL 47 CO 0.32 0.42 0.52 -2.16 0.00 0.00 0.00 175.10 174.20 1s7a s PRO 48 N -1.59 3.97 0.00 2.72 0.04 -1.26 0.18 135.00 139.05 1s7a s PRO 48 Ca 0.22 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1s7a s PRO 48 Cb -0.12 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1s7a s PRO 48 CO 0.12 0.52 0.33 1.28 0.04 0.00 0.00 177.00 179.29 1s7a n LEU 49 N 0.98 0.00 -0.10 -3.56 4.77 -1.23 -1.50 117.00 116.35 1s7a n LEU 49 Ca -0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 1s7a n LEU 49 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1s7a n LEU 49 CO 0.42 0.00 0.97 -0.08 -1.33 0.00 0.00 177.39 177.37 1s7a h GLU 50 N 0.00 0.45 -0.62 3.23 4.81 -1.90 2.35 114.58 122.89 1s7a h GLU 50 Ca 0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1s7a h GLU 50 Cb 0.00 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1s7a h GLU 50 CO 0.00 0.36 0.25 0.82 -0.73 0.00 0.00 179.01 179.70 1s7a h ILE 51 N 0.42 1.23 0.04 2.32 1.08 -1.67 -2.03 117.51 118.91 1s7a h ILE 51 Ca 0.12 -0.73 -0.17 0.00 -0.39 0.00 0.00 64.86 63.68 1s7a h ILE 51 Cb 0.03 0.55 0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1s7a h ILE 51 CO -0.02 0.29 -0.70 0.24 -0.69 0.00 0.00 178.15 177.26 1s7a h MET 52 N 0.87 0.40 -0.75 2.37 2.86 -1.57 -2.76 114.93 116.35 1s7a h MET 52 Ca 0.21 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 1s7a h MET 52 Cb 0.21 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1s7a h MET 52 CO -0.02 1.16 0.38 0.97 1.06 0.00 0.00 176.91 180.46 1s7a h ILE 53 N -0.13 1.23 0.00 -1.22 2.10 0.40 -2.48 117.51 117.41 1s7a h ILE 53 Ca -0.10 -0.63 -0.15 0.00 1.08 0.00 0.00 64.86 65.06 1s7a h ILE 53 Cb 1.44 0.25 -0.02 0.00 -1.09 0.00 0.00 36.82 37.40 1s7a h ILE 53 CO 0.14 0.27 -0.73 0.07 -1.08 0.00 0.00 178.15 176.82 1s7a h LYS 54 N 1.06 0.00 -6.50 2.19 2.10 -1.47 -2.71 116.57 111.24 1s7a h LYS 54 Ca 0.26 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.31 1s7a h LYS 54 Cb 0.08 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 31.49 1s7a h LYS 54 CO -0.04 0.73 0.60 1.19 -2.00 0.00 0.00 179.45 179.93 1s7a n PHE 55 N -3.36 2.00 0.29 0.07 3.01 -0.93 -4.54 117.46 113.99 1s7a n PHE 55 Ca 0.01 0.44 0.18 0.00 1.01 0.00 0.00 57.45 59.09 1s7a n PHE 55 Cb 0.80 -2.44 0.94 0.00 -0.01 0.00 0.00 39.48 38.76 1s7a n PHE 55 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1s7a h ASN 56 N 4.58 0.00 0.31 4.37 -1.07 -1.87 0.53 115.58 122.42 1s7a h ASN 56 Ca -0.45 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 55.83 1s7a h ASN 56 Cb 1.29 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.52 1s7a h ASN 56 CO 0.79 0.00 -0.40 0.03 0.07 0.00 0.00 177.43 177.92 1s7a h ARG 57 N 0.00 0.13 0.00 4.14 2.47 -1.87 -3.20 114.38 116.05 1s7a h ARG 57 Ca 0.03 -0.06 -0.15 0.00 -1.26 0.00 0.00 59.98 58.55 1s7a h ARG 57 Cb 0.43 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 1s7a h ARG 57 CO -0.00 0.51 -1.57 1.28 0.56 0.00 0.00 179.97 180.75 1s7a n LEU 58 N -4.05 1.80 0.29 3.04 4.77 -0.06 -4.52 117.00 118.27 1s7a n LEU 58 Ca -0.02 -0.03 0.18 0.00 -0.03 0.00 0.00 56.01 56.11 1s7a n LEU 58 Cb 0.45 -0.14 0.93 0.00 -2.33 0.00 0.00 43.42 42.34 1s7a n LEU 58 CO 0.40 0.48 1.15 -1.13 -1.33 0.00 0.00 177.39 176.97 1s7a h ASN 59 N 0.00 0.00 0.18 -1.43 -0.73 0.30 0.68 115.58 114.58 1s7a h ASN 59 Ca -0.23 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.94 1s7a h ASN 59 Cb 1.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.00 1s7a h ASN 59 CO -0.02 0.00 0.00 0.54 -0.37 0.00 0.00 177.43 177.58 1s7a n ARG 60 N -3.26 0.03 0.00 6.67 1.74 -1.21 -4.75 116.66 115.88 1s7a n ARG 60 Ca -0.01 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 1s7a n ARG 60 Cb 0.29 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1s7a n ARG 60 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1s7a n LEU 61 N -1.43 0.00 -4.52 0.55 0.00 0.23 -5.09 117.00 106.74 1s7a n LEU 61 Ca 0.02 0.00 -0.54 0.00 0.00 0.00 0.00 56.01 55.49 1s7a n LEU 61 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.42 1s7a n LEU 61 CO 0.05 0.00 0.56 0.41 0.00 0.00 0.00 177.39 178.41 1s7a n THR 62 N 0.00 0.52 -0.32 1.96 -1.04 -1.26 -4.84 114.28 109.30 1s7a n THR 62 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1s7a n THR 62 Cb 0.00 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 1s7a n THR 62 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1s7a n THR 63 N 1.42 0.00 -1.69 12.58 -2.24 -1.26 -4.74 114.28 118.35 1s7a n THR 63 Ca 0.18 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 1s7a n THR 63 Cb 0.16 1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1s7a n THR 63 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1s7a s ASP 64 N -0.17 5.41 0.28 3.42 1.11 -1.26 -4.75 116.67 120.71 1s7a s ASP 64 Ca 0.00 1.63 0.13 0.00 0.18 0.00 0.00 52.55 54.49 1s7a s ASP 64 Cb 0.00 -2.51 0.95 0.00 1.07 0.00 0.00 42.92 42.43 1s7a s ASP 64 CO 0.00 -2.04 1.27 0.49 1.18 0.00 0.00 175.17 176.07 1s7a n PHE 65 N 11.96 0.82 -0.06 4.23 3.72 -1.26 0.15 117.46 137.02 1s7a n PHE 65 Ca 0.29 0.95 -0.14 0.00 -0.05 0.00 0.00 57.45 58.50 1s7a n PHE 65 Cb 0.47 -1.29 -0.06 0.00 -0.94 0.00 0.00 39.48 37.65 1s7a n PHE 65 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1s7a h ASN 66 N 0.00 0.66 -0.13 4.37 4.21 -1.88 -0.00 115.58 122.80 1s7a h ASN 66 Ca 0.63 -0.54 -0.10 0.00 1.21 0.00 0.00 56.30 57.50 1s7a h ASN 66 Cb 1.59 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.60 1s7a h ASN 66 CO -0.66 1.08 -0.30 0.58 -1.29 0.00 0.00 177.43 176.85 1s7a h VAL 67 N 0.27 1.37 -0.21 2.81 2.07 0.95 -1.27 116.25 122.24 1s7a h VAL 67 Ca 0.01 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 1s7a h VAL 67 Cb 0.97 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1s7a h VAL 67 CO 0.08 0.47 0.02 -0.29 0.02 0.00 0.00 177.57 177.87 1s7a h ILE 68 N 0.04 1.24 -0.28 4.57 -0.00 0.16 -2.98 117.51 120.25 1s7a h ILE 68 Ca 0.00 -0.82 -0.08 0.00 -0.00 0.00 0.00 64.86 63.96 1s7a h ILE 68 Cb 0.90 1.38 -0.02 0.00 -0.00 0.00 0.00 36.82 39.08 1s7a h ILE 68 CO 0.07 0.25 -0.18 1.62 -0.00 0.00 0.00 178.15 179.90 1s7a h VAL 69 N 0.13 1.25 -0.58 2.19 3.04 -1.05 -2.59 116.25 118.64 1s7a h VAL 69 Ca 0.06 -1.15 0.05 0.00 -1.01 0.00 0.00 66.70 64.65 1s7a h VAL 69 Cb 0.36 1.23 -0.03 0.00 -2.01 0.00 0.00 31.29 30.84 1s7a h VAL 69 CO 0.01 0.37 0.38 -0.08 -1.01 0.00 0.00 177.57 177.24 1s7a h GLU 70 N 0.46 0.57 -0.42 4.17 4.81 -1.08 -1.41 114.58 121.69 1s7a h GLU 70 Ca 0.08 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1s7a h GLU 70 Cb 0.58 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1s7a h GLU 70 CO 0.04 0.38 -0.18 0.00 -0.73 0.00 0.00 179.01 178.52 1s7a h ALA 71 N 1.68 0.59 -0.32 2.92 0.00 -1.36 -2.87 119.26 119.90 1s7a h ALA 71 Ca 0.24 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1s7a h ALA 71 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1s7a h ALA 71 CO -0.07 0.54 0.08 -0.07 0.00 0.00 0.00 179.25 179.73 1s7a h LEU 72 N 0.69 0.43 -1.85 0.00 3.38 -1.23 -1.99 115.31 114.74 1s7a h LEU 72 Ca 0.10 -0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.23 1s7a h LEU 72 Cb 0.74 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1s7a h LEU 72 CO 0.06 0.44 0.56 -1.28 0.09 0.00 0.00 178.44 178.30 1s7a h SER 73 N 0.46 0.12 0.83 -0.43 0.87 -1.15 0.20 113.55 114.46 1s7a h SER 73 Ca 0.11 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1s7a h SER 73 Cb 0.18 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1s7a h SER 73 CO -0.00 0.05 -1.19 0.29 -0.53 0.00 0.00 176.83 175.45 1s7a n LYS 74 N -4.37 0.61 -1.11 2.24 4.76 -0.77 -4.94 118.16 114.58 1s7a n LYS 74 Ca 0.16 0.09 -0.34 0.00 -2.87 0.00 0.00 58.31 55.35 1s7a n LYS 74 Cb 0.79 -1.78 0.11 0.00 -1.84 0.00 0.00 35.03 32.30 1s7a n LYS 74 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1s7a n SER 75 N -2.64 -0.16 -2.71 4.39 2.88 0.70 -4.97 113.62 111.11 1s7a n SER 75 Ca -0.02 0.55 -0.08 0.00 -1.33 0.00 0.00 58.87 57.99 1s7a n SER 75 Cb 0.59 -1.37 0.10 0.00 -0.75 0.00 0.00 64.21 62.77 1s7a n SER 75 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1s7a n LYS 76 N -2.21 1.17 -0.34 -1.46 3.00 -1.26 -4.93 118.16 112.13 1s7a n LYS 76 Ca 0.11 -2.12 0.05 0.00 -0.00 0.00 0.00 58.31 56.35 1s7a n LYS 76 Cb 0.51 -0.38 0.19 0.00 0.00 0.00 0.00 35.03 35.35 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 -0.40 2.87 -0.34 3.14 0.00 -1.26 -5.02 120.51 119.49 1s7a n ALA 77 Ca 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 53.44 52.64 1s7a n ALA 77 Cb 0.83 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 1s7a n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s7a n GLU 78 N 0.44 -0.37 -0.37 0.00 -0.58 -1.26 -4.59 120.64 113.91 1s7a n GLU 78 Ca 0.13 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1s7a n GLU 78 Cb 0.55 -0.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.97 1s7a n GLU 78 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1s7a n LEU 79 N 0.00 0.60 -4.21 -4.62 -0.00 -1.26 -4.89 117.00 102.63 1s7a n LEU 79 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 1s7a n LEU 79 Cb 0.08 -1.06 -0.11 0.00 -0.00 0.00 0.00 43.42 42.34 1s7a n LEU 79 CO 0.00 -0.30 -0.42 -0.04 -0.00 0.00 0.00 177.39 176.63 1s7a s MET 80 N -0.60 0.94 -0.10 1.96 -1.94 -1.26 -2.78 119.30 115.51 1s7a s MET 80 Ca 0.00 -1.25 -0.06 0.00 -1.71 0.00 0.00 55.69 52.67 1s7a s MET 80 Cb 0.00 -0.64 0.04 0.00 2.01 0.00 0.00 34.83 36.24 1s7a s MET 80 CO 0.00 0.10 0.24 -1.21 -0.01 0.00 0.00 175.02 174.14 1s7a s GLU 81 N -3.00 0.23 0.00 2.03 2.02 -0.30 -4.81 118.70 114.87 1s7a s GLU 81 Ca 0.09 0.45 0.05 0.00 0.02 0.00 0.00 54.97 55.57 1s7a s GLU 81 Cb -0.02 -0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 1s7a s GLU 81 CO 0.01 -0.11 -0.13 0.42 0.02 0.00 0.00 175.26 175.47 1s7a s ILE 82 N 0.82 3.19 1.36 -1.63 1.01 -1.26 -0.39 121.20 124.29 1s7a s ILE 82 Ca -0.06 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.49 1s7a s ILE 82 Cb -0.07 -2.33 0.33 0.00 0.01 0.00 0.00 42.46 40.40 1s7a s ILE 82 CO -0.05 0.43 0.81 -1.20 0.00 0.00 0.00 174.94 174.93 1s7a n SER 83 N 1.77 -3.49 0.06 3.58 7.64 -1.21 -4.89 113.62 117.08 1s7a n SER 83 Ca -0.16 -0.64 0.13 0.00 1.01 0.00 0.00 58.87 59.20 1s7a n SER 83 Cb 0.52 -1.03 0.36 0.00 -1.01 0.00 0.00 64.21 63.06 1s7a n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1s7a n GLU 84 N -5.04 0.20 0.06 1.43 -0.58 -1.26 -3.49 120.64 111.95 1s7a n GLU 84 Ca 0.10 0.12 0.13 0.00 -0.42 0.00 0.00 57.16 57.08 1s7a n GLU 84 Cb 0.56 -1.69 0.34 0.00 -0.57 0.00 0.00 31.44 30.09 1s7a n GLU 84 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1s7a n ASP 85 N -2.01 0.62 -2.44 1.62 -0.08 -1.26 -4.96 116.55 108.04 1s7a n ASP 85 Ca 0.05 0.33 -0.09 0.00 -1.51 0.00 0.00 54.79 53.57 1s7a n ASP 85 Cb 0.41 -0.33 0.05 0.00 2.34 0.00 0.00 41.12 43.58 1s7a n ASP 85 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1s7a n LYS 86 N -2.02 -2.52 -0.34 -0.67 4.81 -1.23 -4.95 118.16 111.24 1s7a n LYS 86 Ca 0.05 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1s7a n LYS 86 Cb 0.41 -4.20 0.00 0.00 0.02 0.00 0.00 35.03 31.26 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 -2.63 0.00 -3.46 3.15 -2.24 -1.26 -4.81 114.28 103.02 1s7a n THR 87 Ca -0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 1s7a n THR 87 Cb 0.58 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.00 1.14 0.12 -0.78 -2.85 -1.26 -3.58 119.74 112.54 1s7a s LYS 88 Ca 0.00 -0.27 0.04 0.00 -1.00 0.00 0.00 55.97 54.75 1s7a s LYS 88 Cb 0.00 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 1s7a s LYS 88 CO 0.00 -0.47 -0.11 0.96 0.10 0.00 0.00 175.35 175.83 1s7a s ILE 89 N -3.02 1.11 0.06 3.79 -4.36 0.46 -3.32 121.20 115.93 1s7a s ILE 89 Ca -0.01 -1.84 -0.14 0.00 -0.26 0.00 0.00 60.65 58.40 1s7a s ILE 89 Cb -0.01 -1.61 0.02 0.00 1.25 0.00 0.00 42.46 42.12 1s7a s ILE 89 CO -0.07 -0.62 0.33 -0.60 0.24 0.00 0.00 174.94 174.22 1s7a s ARG 90 N -3.19 0.88 0.05 0.37 3.00 0.47 0.36 118.95 120.89 1s7a s ARG 90 Ca 0.11 -0.57 -0.22 0.00 -1.00 0.00 0.00 55.73 54.05 1s7a s ARG 90 Cb -0.01 0.38 -0.06 0.00 0.00 0.00 0.00 34.95 35.26 1s7a s ARG 90 CO 0.01 -0.30 0.66 0.50 0.00 0.00 0.00 175.30 176.17 1s7a s ARG 91 N -2.92 4.38 -0.33 5.12 3.52 -1.26 -1.15 118.95 126.30 1s7a s ARG 91 Ca -0.02 0.88 -0.28 0.00 -0.13 0.00 0.00 55.73 56.18 1s7a s ARG 91 Cb 0.00 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 1s7a s ARG 91 CO -0.06 0.44 1.99 -1.54 -0.81 0.00 0.00 175.30 175.32 1s7a s SER 92 N -0.50 5.57 0.58 -2.12 1.04 -1.12 -4.79 113.70 112.36 1s7a s SER 92 Ca 0.33 1.38 0.35 0.00 0.48 0.00 0.00 55.95 58.49 1s7a s SER 92 Cb -0.20 -2.52 1.78 0.00 0.10 0.00 0.00 66.02 65.19 1s7a s SER 92 CO 0.20 -1.96 2.16 1.55 0.98 0.00 0.00 173.24 176.18 1s7a h PRO 93 N 14.36 0.00 0.00 4.02 0.13 -1.93 -0.25 132.00 148.33 1s7a h PRO 93 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 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 1.04 0.04 0.00 0.43 -0.23 0.00 0.00 178.00 179.28 1s7a n SER 94 N -3.31 0.00 -4.20 1.44 7.64 -1.26 -4.64 113.62 109.29 1s7a n SER 94 Ca -0.02 0.08 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 1s7a n SER 94 Cb 0.19 -0.35 -0.16 0.00 -1.01 0.00 0.00 64.21 62.89 1s7a n SER 94 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1s7a s LYS 95 N -2.69 3.10 0.49 1.43 2.20 -0.11 -5.11 119.74 119.06 1s7a s LYS 95 Ca 0.21 -0.80 -0.21 0.00 -0.36 0.00 0.00 55.97 54.82 1s7a s LYS 95 Cb 0.17 -2.57 -0.07 0.00 -1.51 0.00 0.00 37.83 33.85 1s7a s LYS 95 CO 0.42 -0.06 1.09 -1.25 -0.36 0.00 0.00 175.35 175.19 1s7a s PRO 96 N 0.97 3.67 -0.19 4.03 0.04 -1.26 -4.82 135.00 137.45 1s7a s PRO 96 Ca -0.03 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.55 1s7a s PRO 96 Cb -0.15 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.27 1s7a s PRO 96 CO -0.04 -0.57 -0.15 -0.48 0.04 0.00 0.00 177.00 175.80 1s7a s LEU 97 N -3.44 2.21 0.31 -3.56 0.05 -1.26 -5.10 118.68 107.89 1s7a s LEU 97 Ca 0.68 -0.76 -0.03 0.00 0.05 0.00 0.00 54.13 54.07 1s7a s LEU 97 Cb -0.21 -1.35 -0.04 0.00 -2.05 0.00 0.00 46.19 42.53 1s7a s LEU 97 CO 0.25 -0.07 0.55 -2.16 -0.55 0.00 0.00 176.35 174.37 1s7a s PRO 98 N 1.34 3.57 -0.36 1.48 0.04 -1.26 -4.91 135.00 134.91 1s7a s PRO 98 Ca 0.02 -0.12 -0.00 0.00 0.04 0.00 0.00 61.00 60.94 1s7a s PRO 98 Cb -0.15 -2.66 0.10 0.00 0.04 0.00 0.00 34.50 31.84 1s7a s PRO 98 CO -0.10 0.19 0.11 -2.00 0.04 0.00 0.00 177.00 175.24 1s7a s GLU 99 N -3.82 1.88 -0.03 4.56 -6.30 -1.26 -4.70 118.70 109.04 1s7a s GLU 99 Ca 0.42 -1.75 -0.22 0.00 -2.50 0.00 0.00 54.97 50.93 1s7a s GLU 99 Cb -0.10 -3.37 -0.05 0.00 0.00 0.00 0.00 34.13 30.61 1s7a s GLU 99 CO 0.32 -0.95 0.64 0.14 0.02 0.00 0.00 175.26 175.44 1s7a s VAL 100 N 1.07 4.96 -0.10 3.70 -7.23 -1.26 -5.06 120.40 116.48 1s7a s VAL 100 Ca 0.07 1.33 0.00 0.00 -1.81 0.00 0.00 61.98 61.57 1s7a s VAL 100 Cb -0.21 -3.98 -0.02 0.00 0.56 0.00 0.00 36.38 32.73 1s7a s VAL 100 CO -0.05 0.35 -0.09 0.42 -0.31 0.00 0.00 175.10 175.41 1s7a s THR 101 N 0.25 3.45 0.31 5.32 -4.23 -1.26 -5.09 115.64 114.38 1s7a s THR 101 Ca 0.34 -0.55 -0.29 0.00 -1.18 0.00 0.00 61.69 60.01 1s7a s THR 101 Cb -0.18 -2.43 -0.10 0.00 1.34 0.00 0.00 72.50 71.13 1s7a s THR 101 CO 0.17 0.55 1.29 1.51 -0.54 0.00 0.00 174.62 177.60 1s7a s ASP 102 N -0.21 6.84 0.00 3.99 1.47 -1.26 -5.37 116.67 122.14 1s7a s ASP 102 Ca 0.02 2.61 0.00 0.00 1.18 0.00 0.00 52.55 56.36 1s7a s ASP 102 Cb -0.13 -2.64 0.00 0.00 -0.34 0.00 0.00 42.92 39.81 1s7a s ASP 102 CO 0.03 -0.49 0.00 1.21 0.68 0.00 0.00 175.17 176.60