#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 1.85 -0.94 -5.12 0.00 -1.26 -5.03 120.51 110.02 1s7a n ALA 2 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.69 1s7a n ALA 2 Cb 0.00 0.08 0.25 0.00 0.00 0.00 0.00 19.45 19.78 1s7a n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1s7a s GLU 3 N -2.19 -1.56 -0.93 0.00 2.12 -1.26 -4.95 118.70 109.94 1s7a s GLU 3 Ca -0.03 -0.02 -0.00 0.00 0.36 0.00 0.00 54.97 55.28 1s7a s GLU 3 Cb 0.02 -1.55 0.31 0.00 0.26 0.00 0.00 34.13 33.17 1s7a s GLU 3 CO 0.29 -3.95 1.45 0.09 -0.54 0.00 0.00 175.26 172.61 1s7a n ASN 4 N -4.94 6.20 -1.08 -1.70 5.03 -1.26 -4.96 115.26 112.55 1s7a n ASN 4 Ca 0.13 -3.58 0.00 0.00 0.87 0.00 0.00 54.58 52.00 1s7a n ASN 4 Cb 0.59 -1.04 0.00 0.00 -1.02 0.00 0.00 39.78 38.31 1s7a n ASN 4 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s7a n GLY 5 N 0.43 -4.34 0.00 7.41 0.00 -1.26 -4.96 105.19 102.47 1s7a n GLY 5 Ca 0.36 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.32 0.00 0.00 1.61 9.92 -1.26 -4.60 116.55 122.54 1s7a n ASP 6 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1s7a n ASP 6 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1s7a n ASP 6 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1s7a n ASN 7 N 0.00 0.00 -0.09 -2.24 4.13 -1.26 -3.62 115.26 112.18 1s7a n ASN 7 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1s7a n ASN 7 Cb 0.00 0.00 0.29 0.00 -1.54 0.00 0.00 39.78 38.53 1s7a n ASN 7 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1s7a h GLU 8 N 0.00 0.73 -0.23 3.52 4.11 -1.96 -1.57 114.58 119.18 1s7a h GLU 8 Ca 0.00 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 1s7a h GLU 8 Cb 0.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1s7a h GLU 8 CO 0.00 0.58 -0.17 -0.22 0.07 0.00 0.00 179.01 179.27 1s7a h LYS 9 N 0.73 0.52 -0.57 1.06 3.64 -1.90 -2.93 116.57 117.13 1s7a h LYS 9 Ca 0.18 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1s7a h LYS 9 Cb 0.10 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1s7a h LYS 9 CO -0.02 0.82 0.20 0.52 -2.27 0.00 0.00 179.45 178.70 1s7a h MET 10 N 0.22 0.84 0.19 1.90 2.86 -1.78 0.19 114.93 119.35 1s7a h MET 10 Ca 0.04 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1s7a h MET 10 Cb 0.70 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1s7a h MET 10 CO 0.05 0.71 -0.14 0.00 1.06 0.00 0.00 176.91 178.59 1s7a h ALA 11 N 1.40 -0.31 -0.09 6.32 0.00 -1.21 0.30 119.26 125.67 1s7a h ALA 11 Ca 0.19 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1s7a h ALA 11 Cb 0.21 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1s7a h ALA 11 CO -0.01 -0.69 -0.55 0.00 0.00 0.00 0.00 179.25 178.00 1s7a h ALA 12 N 0.46 0.90 -0.19 0.00 0.00 -1.33 -2.96 119.26 116.15 1s7a h ALA 12 Ca -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1s7a h ALA 12 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1s7a h ALA 12 CO 0.00 0.69 -0.12 1.25 0.00 0.00 0.00 179.25 181.08 1s7a h LEU 13 N 0.20 0.29 -0.39 0.00 5.85 -0.24 -2.15 115.31 118.87 1s7a h LEU 13 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1s7a h LEU 13 Cb 1.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1s7a h LEU 13 CO 0.09 0.44 0.25 -0.08 -0.34 0.00 0.00 178.44 178.80 1s7a h GLU 14 N 0.29 0.51 -0.26 1.25 4.81 -0.76 -1.74 114.58 118.68 1s7a h GLU 14 Ca 0.06 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 1s7a h GLU 14 Cb 0.39 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1s7a h GLU 14 CO 0.02 0.35 -0.45 0.00 -0.73 0.00 0.00 179.01 178.20 1s7a h ALA 15 N 1.14 0.74 -0.92 2.92 0.00 -1.57 -3.06 119.26 118.51 1s7a h ALA 15 Ca 0.14 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1s7a h ALA 15 Cb -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1s7a h ALA 15 CO -0.03 0.67 0.60 0.87 0.00 0.00 0.00 179.25 181.36 1s7a h LYS 16 N 0.53 1.18 -0.68 0.00 1.57 -1.02 -2.20 116.57 115.95 1s7a h LYS 16 Ca 0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1s7a h LYS 16 Cb 0.98 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1s7a h LYS 16 CO 0.09 0.78 0.36 0.82 -0.57 0.00 0.00 179.45 180.93 1s7a h ILE 17 N 1.22 1.22 -0.88 1.86 2.04 -1.23 -2.32 117.51 119.41 1s7a h ILE 17 Ca 0.34 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1s7a h ILE 17 Cb -0.11 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 1s7a h ILE 17 CO -0.08 0.25 0.55 0.00 0.00 0.00 0.00 178.15 178.86 1s7a h HIS 19 N 1.21 0.75 -0.09 0.00 3.86 -0.90 -2.00 115.15 117.99 1s7a h HIS 19 Ca 0.32 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1s7a h HIS 19 Cb -0.08 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 1s7a h HIS 19 CO 0.00 0.65 0.04 1.96 0.86 0.00 0.00 177.93 181.44 1s7a h GLN 20 N 0.70 0.12 -0.63 2.45 7.50 -0.91 -1.69 115.11 122.65 1s7a h GLN 20 Ca 0.16 -0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.34 1s7a h GLN 20 Cb 0.29 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.76 1s7a h GLN 20 CO 0.00 0.22 0.42 0.82 -1.50 0.00 0.00 178.83 178.79 1s7a h ILE 21 N 0.00 1.03 -0.44 2.54 1.08 -1.27 0.81 117.51 121.26 1s7a h ILE 21 Ca 0.03 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1s7a h ILE 21 Cb 0.14 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 1s7a h ILE 21 CO -0.00 0.12 0.23 -0.33 -0.69 0.00 0.00 178.15 177.48 1s7a h GLU 22 N 0.67 0.61 -0.44 2.37 5.08 -0.58 -1.36 114.58 120.94 1s7a h GLU 22 Ca 0.26 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1s7a h GLU 22 Cb 0.20 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1s7a h GLU 22 CO -0.08 0.46 0.19 -0.92 -1.00 0.00 0.00 179.01 177.67 1s7a h TYR 23 N 0.62 0.64 0.09 4.33 3.20 0.02 5.19 116.97 131.06 1s7a h TYR 23 Ca 0.16 -0.04 -0.28 0.00 3.14 0.00 0.00 58.73 61.71 1s7a h TYR 23 Cb 0.04 -0.20 0.02 0.00 1.54 0.00 0.00 36.73 38.13 1s7a h TYR 23 CO 0.00 0.54 -1.17 1.88 -1.64 0.00 0.00 178.16 177.77 1s7a h TYR 24 N 0.56 0.82 0.00 -3.82 0.05 -1.44 -3.05 116.97 110.09 1s7a h TYR 24 Ca 0.15 -0.51 -0.06 0.00 0.05 0.00 0.00 58.73 58.36 1s7a h TYR 24 Cb 0.15 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1s7a h TYR 24 CO -0.01 1.36 -1.69 1.19 -1.05 0.00 0.00 178.16 177.96 1s7a n PHE 25 N -3.73 0.00 -0.29 4.88 3.01 -0.54 -2.48 117.46 118.31 1s7a n PHE 25 Ca -0.11 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.37 1s7a n PHE 25 Cb 0.95 -0.39 0.07 0.00 -0.01 0.00 0.00 39.48 40.10 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 1.85 -1.47 0.00 1.37 0.00 1.69 -4.67 105.19 103.96 1s7a n GLY 26 Ca -0.07 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 -5.21 0.00 0.03 1.61 2.03 -1.25 -5.01 116.55 108.74 1s7a n ASP 27 Ca 0.10 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.22 1s7a n ASP 27 Cb 0.35 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.61 1s7a n ASP 27 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1s7a h PHE 28 N 0.00 0.45 -0.01 -0.67 0.04 -1.83 -3.34 116.94 111.57 1s7a h PHE 28 Ca 0.00 -0.33 -0.19 0.00 2.80 0.00 0.00 57.97 60.25 1s7a h PHE 28 Cb 0.00 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1s7a h PHE 28 CO 0.00 1.28 -0.83 -0.91 -0.60 0.00 0.00 178.31 177.25 1s7a h ASN 29 N -0.47 0.30 -0.10 2.17 -0.26 -1.62 -3.30 115.58 112.29 1s7a h ASN 29 Ca -0.13 -0.23 0.03 0.00 -0.56 0.00 0.00 56.30 55.40 1s7a h ASN 29 Cb 1.55 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 38.69 1s7a h ASN 29 CO 0.12 1.00 -0.06 -0.07 -1.06 0.00 0.00 177.43 177.36 1s7a h LEU 30 N 0.14 -0.19 -1.98 1.61 4.07 -1.64 2.71 115.31 120.04 1s7a h LEU 30 Ca -0.04 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1s7a h LEU 30 Cb 1.44 0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.28 1s7a h LEU 30 CO 0.13 -0.08 0.02 -0.65 -1.08 0.00 0.00 178.44 176.78 1s7a h PRO 31 N -0.06 0.00 -0.39 1.13 0.11 -1.68 -3.12 132.00 127.99 1s7a h PRO 31 Ca 0.06 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.90 1s7a h PRO 31 Cb 0.15 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.01 1s7a h PRO 31 CO -0.14 0.00 -0.68 -2.13 -0.21 0.00 0.00 178.00 174.85 1s7a n ARG 32 N -2.55 1.18 -3.41 1.05 0.63 0.02 -5.07 116.66 108.51 1s7a n ARG 32 Ca -0.02 -2.37 -0.44 0.00 -0.92 0.00 0.00 57.85 54.10 1s7a n ARG 32 Cb 0.07 -0.51 -0.06 0.00 0.45 0.00 0.00 32.46 32.41 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 -1.94 6.09 0.08 6.15 1.11 0.89 -4.86 116.67 124.20 1s7a s ASP 33 Ca 0.24 -2.03 -0.14 0.00 0.18 0.00 0.00 52.55 50.80 1s7a s ASP 33 Cb 0.42 -2.13 -0.19 0.00 1.07 0.00 0.00 42.92 42.08 1s7a s ASP 33 CO -0.04 -0.74 1.24 0.11 1.18 0.00 0.00 175.17 176.92 1s7a h LYS 34 N 8.48 0.70 -0.06 8.23 1.79 -1.93 -1.37 116.57 132.41 1s7a h LYS 34 Ca -0.19 -0.65 -0.18 0.00 -2.18 0.00 0.00 60.65 57.45 1s7a h LYS 34 Cb 1.07 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1s7a h LYS 34 CO 0.92 1.25 -0.74 0.27 -1.08 0.00 0.00 179.45 180.07 1s7a h PHE 35 N 0.39 0.47 -0.03 -1.35 -0.00 -1.97 -3.00 116.94 111.46 1s7a h PHE 35 Ca -0.08 -0.21 -0.23 0.00 -0.00 0.00 0.00 57.97 57.44 1s7a h PHE 35 Cb 1.48 -0.07 0.02 0.00 -0.00 0.00 0.00 35.95 37.38 1s7a h PHE 35 CO 0.10 0.97 -0.88 1.25 -0.00 0.00 0.00 178.31 179.75 1s7a h LEU 36 N 0.23 0.81 -1.57 2.10 7.12 -1.95 -2.95 115.31 119.11 1s7a h LEU 36 Ca -0.03 -0.72 0.00 0.00 0.13 0.00 0.00 57.88 57.26 1s7a h LEU 36 Cb 1.32 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 41.18 1s7a h LEU 36 CO 0.12 1.43 0.29 0.07 -0.13 0.00 0.00 178.44 180.22 1s7a h LYS 37 N 0.28 0.57 -0.22 1.25 5.09 -1.30 0.24 116.57 122.49 1s7a h LYS 37 Ca -0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 60.65 60.55 1s7a h LYS 37 Cb 1.54 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 33.74 1s7a h LYS 37 CO 0.17 0.38 -0.05 0.93 -2.09 0.00 0.00 179.45 178.79 1s7a h GLU 38 N 0.59 0.43 -0.11 0.07 5.08 -1.51 -1.54 114.58 117.59 1s7a h GLU 38 Ca 0.16 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1s7a h GLU 38 Cb -0.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1s7a h GLU 38 CO -0.03 0.67 -0.24 0.37 -1.00 0.00 0.00 179.01 178.77 1s7a h GLN 39 N 0.16 0.36 -0.82 2.33 -0.00 -1.23 -1.64 115.11 114.27 1s7a h GLN 39 Ca 0.06 -0.24 0.03 0.00 -0.00 0.00 0.00 58.65 58.50 1s7a h GLN 39 Cb 0.51 0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.97 1s7a h GLN 39 CO 0.02 0.84 0.54 -0.84 0.00 0.00 0.00 178.83 179.39 1s7a h ILE 40 N -0.07 1.14 0.00 2.39 3.07 -0.58 -1.46 117.51 122.01 1s7a h ILE 40 Ca 0.00 -0.35 -0.12 0.00 1.55 0.00 0.00 64.86 65.94 1s7a h ILE 40 Cb 0.83 0.02 -0.02 0.00 -0.27 0.00 0.00 36.82 37.39 1s7a h ILE 40 CO 0.05 0.19 -0.58 0.50 -1.05 0.00 0.00 178.15 177.26 1s7a h LYS 41 N 1.03 0.00 0.00 0.16 1.63 -1.24 -2.03 116.57 116.11 1s7a h LYS 41 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1s7a h LYS 41 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1s7a h LYS 41 CO -0.09 0.58 0.00 1.28 -3.45 0.00 0.00 179.45 177.77 1s7a n LEU 42 N -3.47 0.00 0.00 5.20 4.77 -0.55 -4.79 117.00 118.15 1s7a n LEU 42 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1s7a n LEU 42 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1s7a n LEU 42 CO 0.41 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.94 1s7a n ASP 43 N 0.00 0.00 -1.23 -1.43 8.00 -1.24 -4.81 116.55 115.84 1s7a n ASP 43 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1s7a n ASP 43 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.38 1s7a n ASP 43 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1s7a n GLU 44 N 0.00 2.78 0.00 -1.24 2.13 -1.26 -4.83 120.64 118.22 1s7a n GLU 44 Ca 0.00 -2.28 0.00 0.00 0.66 0.00 0.00 57.16 55.54 1s7a n GLU 44 Cb 0.00 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.10 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 1.27 1.76 3.66 8.31 0.00 -0.76 -4.99 105.19 114.44 1s7a n GLY 45 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.10 2.01 -0.03 1.61 0.23 -1.26 -4.39 118.94 115.02 1s7a s TRP 46 Ca 0.00 0.23 -0.02 0.00 -2.03 0.00 0.00 56.10 54.28 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 -3.75 0.13 0.08 0.96 0.00 0.00 176.95 174.37 1s7a s VAL 47 N 4.05 5.11 0.06 4.03 1.01 0.47 -4.80 120.40 130.33 1s7a s VAL 47 Ca 0.73 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 1s7a s VAL 47 Cb -0.33 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1s7a s VAL 47 CO 0.29 0.39 0.53 -2.16 0.00 0.00 0.00 175.10 174.15 1s7a s PRO 48 N -1.69 4.13 0.00 2.72 0.04 -1.26 0.21 135.00 139.15 1s7a s PRO 48 Ca 0.23 0.65 0.02 0.00 0.04 0.00 0.00 61.00 61.95 1s7a s PRO 48 Cb -0.12 -3.22 0.14 0.00 0.04 0.00 0.00 34.50 31.33 1s7a s PRO 48 CO 0.14 0.65 0.62 1.28 0.04 0.00 0.00 177.00 179.72 1s7a n LEU 49 N 1.70 0.00 -0.15 -3.56 4.77 -1.19 -2.02 117.00 116.55 1s7a n LEU 49 Ca -0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.76 1s7a n LEU 49 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1s7a n LEU 49 CO 0.40 0.00 0.70 1.05 -1.33 0.00 0.00 177.39 178.21 1s7a h GLU 50 N 0.00 0.91 -0.16 3.23 4.11 -1.91 0.99 114.58 121.75 1s7a h GLU 50 Ca 0.00 -0.37 -0.17 0.00 0.07 0.00 0.00 59.36 58.90 1s7a h GLU 50 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1s7a h GLU 50 CO 0.00 1.02 -0.59 0.82 0.07 0.00 0.00 179.01 180.33 1s7a h ILE 51 N 0.75 1.33 0.06 -1.06 2.04 -1.82 -2.66 117.51 116.15 1s7a h ILE 51 Ca 0.11 -1.87 -0.19 0.00 1.00 0.00 0.00 64.86 63.92 1s7a h ILE 51 Cb 0.71 1.85 0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1s7a h ILE 51 CO 0.05 0.58 -0.76 0.24 0.00 0.00 0.00 178.15 178.26 1s7a h MET 52 N 0.39 0.41 -0.72 2.37 2.86 -1.61 -2.00 114.93 116.62 1s7a h MET 52 Ca -0.00 -0.52 -0.02 0.00 -2.06 0.00 0.00 59.70 57.09 1s7a h MET 52 Cb 1.14 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 1s7a h MET 52 CO 0.11 1.19 0.35 0.97 1.06 0.00 0.00 176.91 180.59 1s7a h ILE 53 N -0.13 1.23 0.00 -1.22 2.10 0.99 -2.73 117.51 117.75 1s7a h ILE 53 Ca -0.11 -0.63 -0.22 0.00 1.08 0.00 0.00 64.86 64.97 1s7a h ILE 53 Cb 1.50 0.30 -0.03 0.00 -1.09 0.00 0.00 36.82 37.50 1s7a h ILE 53 CO 0.15 0.27 -1.17 0.50 -1.08 0.00 0.00 178.15 176.82 1s7a h LYS 54 N 1.02 0.00 -6.41 2.19 3.64 -1.57 -2.08 116.57 113.37 1s7a h LYS 54 Ca 0.25 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 59.01 1s7a h LYS 54 Cb 0.10 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 32.01 1s7a h LYS 54 CO -0.03 0.76 0.18 1.19 -2.27 0.00 0.00 179.45 179.27 1s7a n PHE 55 N -3.22 1.25 0.29 1.91 3.72 -0.75 -4.42 117.46 116.24 1s7a n PHE 55 Ca -0.05 0.69 0.18 0.00 -0.05 0.00 0.00 57.45 58.23 1s7a n PHE 55 Cb 0.94 -2.26 0.94 0.00 -0.94 0.00 0.00 39.48 38.17 1s7a n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1s7a h ASN 56 N 2.54 0.00 0.74 4.37 2.35 -1.89 0.17 115.58 123.86 1s7a h ASN 56 Ca -0.41 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.26 1s7a h ASN 56 Cb 1.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 1s7a h ASN 56 CO 0.64 0.00 -0.38 0.03 -1.65 0.00 0.00 177.43 176.07 1s7a h ARG 57 N 0.00 0.00 0.00 0.81 2.47 -1.86 -3.11 114.38 112.69 1s7a h ARG 57 Ca 0.03 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.57 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 0.38 -1.63 -0.11 0.56 0.00 0.00 179.97 179.17 1s7a n LEU 58 N -3.63 1.36 0.28 3.04 -0.00 0.10 -4.55 117.00 113.61 1s7a n LEU 58 Ca -0.01 0.09 0.18 0.00 -0.00 0.00 0.00 56.01 56.27 1s7a n LEU 58 Cb 0.49 -0.34 0.90 0.00 -0.00 0.00 0.00 43.42 44.47 1s7a n LEU 58 CO 0.37 0.35 1.15 -1.13 -0.00 0.00 0.00 177.39 178.13 1s7a h ASN 59 N -0.30 0.00 0.66 1.96 -0.73 -0.03 0.19 115.58 117.33 1s7a h ASN 59 Ca -0.28 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.89 1s7a h ASN 59 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1s7a h ASN 59 CO -0.14 0.00 0.00 0.03 -0.37 0.00 0.00 177.43 176.95 1s7a h ARG 60 N 0.00 0.00 0.00 6.67 3.08 -1.72 -3.43 114.38 118.98 1s7a h ARG 60 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1s7a h ARG 60 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1s7a h ARG 60 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1s7a n LEU 61 N -3.01 0.00 -4.79 3.04 4.32 0.68 -5.12 117.00 112.12 1s7a n LEU 61 Ca -0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.69 1s7a n LEU 61 Cb 0.22 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.96 1s7a n LEU 61 CO 0.24 0.00 -0.25 -0.89 -1.22 0.00 0.00 177.39 175.27 1s7a s THR 62 N 1.09 4.55 0.00 -5.08 2.01 -1.19 -5.00 115.64 112.02 1s7a s THR 62 Ca 0.00 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1s7a s THR 62 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.28 1s7a s THR 62 CO 0.00 0.07 0.45 0.35 -0.69 0.00 0.00 174.62 174.80 1s7a n THR 63 N 0.25 0.16 -1.65 -0.82 -2.24 -1.26 -4.41 114.28 104.31 1s7a n THR 63 Ca -0.08 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1s7a n THR 63 Cb 0.52 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.89 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 -0.16 4.50 0.31 3.42 1.01 -1.26 -4.78 116.67 119.70 1s7a s ASP 64 Ca 0.00 0.75 0.16 0.00 0.71 0.00 0.00 52.55 54.18 1s7a s ASP 64 Cb 0.00 -2.51 1.09 0.00 1.01 0.00 0.00 42.92 42.51 1s7a s ASP 64 CO 0.00 -2.96 1.32 0.49 0.21 0.00 0.00 175.17 174.23 1s7a n PHE 65 N 15.80 0.94 -0.04 4.23 3.01 -1.26 0.19 117.46 140.34 1s7a n PHE 65 Ca 0.36 0.99 -0.13 0.00 1.01 0.00 0.00 57.45 59.67 1s7a n PHE 65 Cb 0.52 -1.38 -0.01 0.00 -0.01 0.00 0.00 39.48 38.60 1s7a n PHE 65 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1s7a h ASN 66 N 0.00 0.85 -0.21 4.37 4.21 -1.86 -2.67 115.58 120.27 1s7a h ASN 66 Ca 0.69 -0.47 -0.12 0.00 1.21 0.00 0.00 56.30 57.62 1s7a h ASN 66 Cb 1.82 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 38.77 1s7a h ASN 66 CO -0.65 1.24 -0.34 0.58 -1.29 0.00 0.00 177.43 176.97 1s7a h VAL 67 N 0.57 1.33 -0.14 2.81 2.07 0.18 -0.79 116.25 122.28 1s7a h VAL 67 Ca 0.00 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1s7a h VAL 67 Cb 1.17 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1s7a h VAL 67 CO 0.12 0.48 0.07 0.40 0.02 0.00 0.00 177.57 178.66 1s7a h ILE 68 N 0.28 1.13 -0.27 4.57 5.03 -1.15 0.31 117.51 127.41 1s7a h ILE 68 Ca 0.02 -0.37 -0.10 0.00 -0.12 0.00 0.00 64.86 64.28 1s7a h ILE 68 Cb 0.92 1.12 -0.01 0.00 -3.03 0.00 0.00 36.82 35.82 1s7a h ILE 68 CO 0.08 0.12 -0.27 -0.37 -0.68 0.00 0.00 178.15 177.02 1s7a h VAL 69 N 0.10 1.27 -0.00 1.67 -1.51 -1.52 -2.44 116.25 113.82 1s7a h VAL 69 Ca 0.05 -1.33 -0.19 0.00 -1.23 0.00 0.00 66.70 64.00 1s7a h VAL 69 Cb 0.13 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1s7a h VAL 69 CO -0.01 0.42 -0.85 -0.08 -1.23 0.00 0.00 177.57 175.83 1s7a h GLU 70 N 0.47 0.16 0.10 5.19 4.22 -0.90 -2.36 114.58 121.46 1s7a h GLU 70 Ca 0.06 -0.17 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 1s7a h GLU 70 Cb 0.72 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1s7a h GLU 70 CO 0.05 0.92 -0.05 0.00 -2.18 0.00 0.00 179.01 177.75 1s7a h ALA 71 N 1.02 -0.13 0.00 2.92 0.00 -0.20 -3.11 119.26 119.76 1s7a h ALA 71 Ca -0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1s7a h ALA 71 Cb 1.47 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1s7a h ALA 71 CO 0.13 -0.37 -0.32 1.37 0.00 0.00 0.00 179.25 180.06 1s7a h LEU 72 N -0.54 0.00 -1.47 0.00 8.10 -1.53 -2.46 115.31 117.41 1s7a h LEU 72 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1s7a h LEU 72 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 1s7a h LEU 72 CO 0.02 0.32 0.18 -1.28 -4.11 0.00 0.00 178.44 173.56 1s7a h SER 73 N 0.00 0.00 0.65 0.17 0.87 -1.35 0.21 113.55 114.11 1s7a h SER 73 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1s7a h SER 73 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1s7a h SER 73 CO 0.04 0.00 -1.38 0.29 -0.53 0.00 0.00 176.83 175.25 1s7a n LYS 74 N -2.37 0.63 -1.14 2.24 4.76 -0.93 -4.95 118.16 116.40 1s7a n LYS 74 Ca -0.01 0.04 -0.34 0.00 -2.87 0.00 0.00 58.31 55.12 1s7a n LYS 74 Cb 0.21 -1.73 0.10 0.00 -1.84 0.00 0.00 35.03 31.77 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 -2.59 -0.21 -0.90 4.39 2.88 0.74 -4.95 113.62 112.98 1s7a n SER 75 Ca -0.03 0.56 0.05 0.00 -1.33 0.00 0.00 58.87 58.11 1s7a n SER 75 Cb 0.61 -1.36 0.10 0.00 -0.75 0.00 0.00 64.21 62.82 1s7a n SER 75 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1s7a n LYS 76 N -2.07 0.74 -0.37 -1.46 0.00 -1.26 -4.76 118.16 108.98 1s7a n LYS 76 Ca 0.11 -2.45 0.05 0.00 -0.00 0.00 0.00 58.31 56.03 1s7a n LYS 76 Cb 0.51 -0.82 0.21 0.00 -0.00 0.00 0.00 35.03 34.92 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 2.88 -2.57 0.58 0.00 -1.26 -4.90 120.51 114.88 1s7a n ALA 77 Ca 0.11 -0.93 -0.09 0.00 0.00 0.00 0.00 53.44 52.53 1s7a n ALA 77 Cb 0.87 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 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 0.54 -0.96 0.00 0.00 4.71 -1.26 -4.76 120.64 118.92 1s7a n GLU 78 Ca 0.15 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 1s7a n GLU 78 Cb 0.59 -1.02 0.00 0.00 -1.01 0.00 0.00 31.44 29.99 1s7a n GLU 78 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1s7a n LEU 79 N -1.60 2.52 0.00 -4.62 0.00 -1.26 -5.00 117.00 107.03 1s7a n LEU 79 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.00 1s7a n LEU 79 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 43.42 43.54 1s7a n LEU 79 CO 0.22 -0.01 0.00 1.15 0.00 0.00 0.00 177.39 178.75 1s7a n MET 80 N -0.68 1.57 -4.05 1.96 0.00 -1.26 -4.27 117.12 110.39 1s7a n MET 80 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.63 1s7a n MET 80 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 1s7a n MET 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1s7a s GLU 81 N -0.14 0.65 0.02 3.17 0.41 -1.05 -4.83 118.70 116.93 1s7a s GLU 81 Ca 0.00 -1.18 0.08 0.00 -0.41 0.00 0.00 54.97 53.46 1s7a s GLU 81 Cb 0.00 0.23 -0.02 0.00 -1.78 0.00 0.00 34.13 32.56 1s7a s GLU 81 CO 0.00 -0.14 -0.23 0.42 -0.49 0.00 0.00 175.26 174.82 1s7a s ILE 82 N -3.91 1.81 1.07 -1.63 -1.09 -1.26 -2.81 121.20 113.38 1s7a s ILE 82 Ca 0.07 -1.17 -0.18 0.00 -2.23 0.00 0.00 60.65 57.14 1s7a s ILE 82 Cb 0.07 -1.55 0.27 0.00 -1.58 0.00 0.00 42.46 39.68 1s7a s ILE 82 CO -0.10 0.34 0.71 -0.24 -1.23 0.00 0.00 174.94 174.42 1s7a n SER 83 N 2.05 -3.13 0.06 3.58 2.88 -1.25 -4.90 113.62 112.91 1s7a n SER 83 Ca -0.17 -0.77 0.13 0.00 -1.33 0.00 0.00 58.87 56.73 1s7a n SER 83 Cb 0.53 -0.76 0.37 0.00 -0.75 0.00 0.00 64.21 63.59 1s7a n SER 83 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1s7a n GLU 84 N -4.67 0.19 0.05 -1.46 -0.58 -1.26 -3.40 120.64 109.51 1s7a n GLU 84 Ca 0.11 0.12 0.13 0.00 -0.42 0.00 0.00 57.16 57.09 1s7a n GLU 84 Cb 0.46 -1.68 0.35 0.00 -0.57 0.00 0.00 31.44 29.99 1s7a n GLU 84 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1s7a n ASP 85 N -2.00 0.53 -2.35 1.62 9.92 -1.26 -4.93 116.55 118.08 1s7a n ASP 85 Ca 0.05 0.25 -0.18 0.00 -0.53 0.00 0.00 54.79 54.38 1s7a n ASP 85 Cb 0.41 -0.22 0.02 0.00 -0.64 0.00 0.00 41.12 40.68 1s7a n ASP 85 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1s7a n LYS 86 N -1.88 -3.18 -1.21 -1.24 5.02 -1.22 -4.88 118.16 109.57 1s7a n LYS 86 Ca 0.05 0.79 0.04 0.00 -2.02 0.00 0.00 58.31 57.16 1s7a n LYS 86 Cb 0.39 -5.30 0.04 0.00 -0.02 0.00 0.00 35.03 30.14 1s7a n LYS 86 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1s7a n THR 87 N -4.21 0.27 -3.47 -0.18 -2.24 -1.26 -4.67 114.28 98.52 1s7a n THR 87 Ca -0.13 -1.09 -0.13 0.00 -2.27 0.00 0.00 64.05 60.43 1s7a n THR 87 Cb 0.62 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.39 1.13 0.05 -0.78 -2.85 -1.26 -3.18 119.74 112.45 1s7a s LYS 88 Ca 0.29 -0.21 0.03 0.00 -1.00 0.00 0.00 55.97 55.08 1s7a s LYS 88 Cb 0.32 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.59 1s7a s LYS 88 CO -0.13 -0.45 -0.10 0.96 0.10 0.00 0.00 175.35 175.73 1s7a s ILE 89 N -2.79 0.74 0.09 3.79 -4.36 0.57 -3.88 121.20 115.36 1s7a s ILE 89 Ca -0.02 -1.13 -0.13 0.00 -0.26 0.00 0.00 60.65 59.11 1s7a s ILE 89 Cb -0.01 -0.76 0.02 0.00 1.25 0.00 0.00 42.46 42.96 1s7a s ILE 89 CO -0.05 -0.31 0.31 0.00 0.24 0.00 0.00 174.94 175.13 1s7a s ARG 90 N -1.58 0.93 -0.01 0.37 1.70 -1.12 0.18 118.95 119.41 1s7a s ARG 90 Ca -0.07 -0.72 -0.21 0.00 -0.47 0.00 0.00 55.73 54.26 1s7a s ARG 90 Cb -0.10 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1s7a s ARG 90 CO 0.01 -0.33 0.61 0.50 -1.08 0.00 0.00 175.30 175.01 1s7a s ARG 91 N -3.48 4.35 -0.33 3.89 3.52 -1.26 -2.54 118.95 123.09 1s7a s ARG 91 Ca 0.01 0.76 -0.28 0.00 -0.13 0.00 0.00 55.73 56.09 1s7a s ARG 91 Cb 0.02 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1s7a s ARG 91 CO -0.09 0.31 1.98 0.45 -0.81 0.00 0.00 175.30 177.14 1s7a s SER 92 N -0.02 5.59 0.60 -2.12 0.15 -1.26 -4.79 113.70 111.86 1s7a s SER 92 Ca 0.32 1.38 0.38 0.00 0.70 0.00 0.00 55.95 58.73 1s7a s SER 92 Cb -0.18 -2.52 1.91 0.00 -1.71 0.00 0.00 66.02 63.52 1s7a s SER 92 CO 0.17 -1.94 2.19 1.55 1.20 0.00 0.00 173.24 176.42 1s7a h PRO 93 N 14.25 0.00 -0.00 5.44 0.13 -1.96 -0.02 132.00 149.84 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 0.02 -0.03 0.43 -0.23 0.00 0.00 178.00 179.23 1s7a n SER 94 N -3.19 0.30 -4.23 1.44 7.64 -1.26 -4.72 113.62 109.60 1s7a n SER 94 Ca -0.02 -0.77 -0.32 0.00 1.01 0.00 0.00 58.87 58.77 1s7a n SER 94 Cb 0.18 -0.08 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 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 -2.24 3.10 0.49 1.43 -0.14 -0.02 -5.11 119.74 117.24 1s7a s LYS 95 Ca 0.38 -0.84 -0.21 0.00 -1.36 0.00 0.00 55.97 53.93 1s7a s LYS 95 Cb 0.21 -2.38 -0.07 0.00 -1.68 0.00 0.00 37.83 33.91 1s7a s LYS 95 CO 0.41 0.15 1.12 -1.25 -0.76 0.00 0.00 175.35 175.02 1s7a s PRO 96 N 0.44 3.66 -0.17 -1.68 0.04 -1.26 -4.82 135.00 131.21 1s7a s PRO 96 Ca -0.15 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1s7a s PRO 96 Cb -0.17 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1s7a s PRO 96 CO 0.06 -0.60 -0.14 -0.48 0.04 0.00 0.00 177.00 175.89 1s7a s LEU 97 N -3.32 2.00 0.35 -3.56 0.05 -1.26 -5.12 118.68 107.82 1s7a s LEU 97 Ca 0.67 -0.67 -0.06 0.00 0.05 0.00 0.00 54.13 54.12 1s7a s LEU 97 Cb -0.25 -1.26 -0.05 0.00 -2.05 0.00 0.00 46.19 42.59 1s7a s LEU 97 CO 0.29 -0.08 0.64 -2.16 -0.55 0.00 0.00 176.35 174.49 1s7a s PRO 98 N 1.42 3.64 0.10 1.48 0.04 -1.26 -4.97 135.00 135.45 1s7a s PRO 98 Ca 0.03 0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.26 1s7a s PRO 98 Cb -0.14 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 1s7a s PRO 98 CO -0.10 0.09 -0.18 -2.00 0.04 0.00 0.00 177.00 174.84 1s7a s GLU 99 N -3.87 1.82 0.36 4.56 -6.30 -1.26 -4.82 118.70 109.18 1s7a s GLU 99 Ca 0.46 -1.15 -0.25 0.00 -2.50 0.00 0.00 54.97 51.53 1s7a s GLU 99 Cb -0.10 -2.12 -0.10 0.00 0.00 0.00 0.00 34.13 31.81 1s7a s GLU 99 CO 0.33 0.49 0.98 0.14 0.02 0.00 0.00 175.26 177.22 1s7a s VAL 100 N -1.10 4.08 0.00 3.70 -7.23 -1.26 -5.03 120.40 113.56 1s7a s VAL 100 Ca 0.17 1.62 -0.18 0.00 -1.81 0.00 0.00 61.98 61.78 1s7a s VAL 100 Cb -0.11 -3.85 -0.06 0.00 0.56 0.00 0.00 36.38 32.93 1s7a s VAL 100 CO 0.09 0.04 0.52 0.42 -0.31 0.00 0.00 175.10 175.86 1s7a s THR 101 N -1.70 4.93 0.14 5.32 -4.23 -1.26 -5.07 115.64 113.76 1s7a s THR 101 Ca 0.54 1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 62.10 1s7a s THR 101 Cb -0.18 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.76 1s7a s THR 101 CO 0.24 0.49 0.35 -1.81 -0.54 0.00 0.00 174.62 173.34 1s7a s ASP 102 N -0.59 6.45 0.00 3.99 1.11 -1.26 -5.36 116.67 121.01 1s7a s ASP 102 Ca 0.28 0.51 0.00 0.00 0.18 0.00 0.00 52.55 53.51 1s7a s ASP 102 Cb -0.18 -2.06 0.00 0.00 1.07 0.00 0.00 42.92 41.76 1s7a s ASP 102 CO 0.16 0.06 0.00 1.21 1.18 0.00 0.00 175.17 177.78