#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 -2.35 -5.12 0.00 -1.26 -4.94 120.51 106.84 1s7a n ALA 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1s7a n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 -3.24 0.00 0.00 4.07 -1.26 -4.98 120.64 115.23 1s7a n GLU 3 Ca 0.00 2.60 0.02 0.00 -0.06 0.00 0.00 57.16 59.72 1s7a n GLU 3 Cb 0.00 -4.16 -0.00 0.00 -0.06 0.00 0.00 31.44 27.22 1s7a n GLU 3 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1s7a n ASN 4 N 1.06 0.83 -0.18 4.31 4.05 -1.26 -4.70 115.26 119.36 1s7a n ASN 4 Ca -0.23 -0.91 -0.06 0.00 0.45 0.00 0.00 54.58 53.83 1s7a n ASN 4 Cb 0.35 0.49 0.00 0.00 1.23 0.00 0.00 39.78 41.86 1s7a n ASN 4 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1s7a h GLY 5 N 1.02 -0.12 -5.76 8.20 0.00 -2.03 -3.43 103.07 100.95 1s7a h GLY 5 Ca 0.00 0.42 0.18 0.00 0.00 0.00 0.00 47.33 47.93 1s7a h GLY 5 CO 0.00 -0.21 0.35 0.51 0.00 0.00 0.00 176.54 177.19 1s7a s ASP 6 N -5.15 -0.43 0.07 0.19 -4.77 -1.26 -5.08 116.67 100.24 1s7a s ASP 6 Ca -0.14 0.61 0.00 0.00 -3.30 0.00 0.00 52.55 49.72 1s7a s ASP 6 Cb 0.15 1.42 0.00 0.00 -1.09 0.00 0.00 42.92 43.41 1s7a s ASP 6 CO 0.69 -0.09 0.00 -3.20 0.70 0.00 0.00 175.17 173.27 1s7a n ASN 7 N 4.54 0.21 0.08 2.11 4.05 -1.26 -4.76 115.26 120.23 1s7a n ASN 7 Ca -0.11 0.11 -0.03 0.00 0.45 0.00 0.00 54.58 55.01 1s7a n ASN 7 Cb 0.54 -0.01 0.20 0.00 1.23 0.00 0.00 39.78 41.75 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1s7a h GLU 8 N 0.00 0.29 -0.28 1.20 5.08 -1.98 -3.12 114.58 115.77 1s7a h GLU 8 Ca 0.00 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1s7a h GLU 8 Cb 0.36 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1s7a h GLU 8 CO 0.00 0.66 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.44 1s7a h LYS 9 N 0.24 0.07 -0.72 2.33 3.64 -1.98 -1.35 116.57 118.80 1s7a h LYS 9 Ca 0.02 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1s7a h LYS 9 Cb 0.83 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 1s7a h LYS 9 CO 0.07 0.05 0.47 1.98 -2.27 0.00 0.00 179.45 179.75 1s7a h MET 10 N 0.07 0.90 -0.63 1.90 4.05 -1.84 -1.40 114.93 117.99 1s7a h MET 10 Ca 0.13 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1s7a h MET 10 Cb 0.18 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 30.74 1s7a h MET 10 CO -0.23 0.60 0.39 0.00 0.23 0.00 0.00 176.91 177.90 1s7a h ALA 11 N 1.56 0.82 -0.10 0.39 0.00 -1.24 -1.63 119.26 119.06 1s7a h ALA 11 Ca 0.27 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1s7a h ALA 11 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1s7a h ALA 11 CO -0.07 0.15 -0.48 0.00 0.00 0.00 0.00 179.25 178.85 1s7a h ALA 12 N 1.27 1.00 -0.56 0.00 0.00 -0.86 -2.58 119.26 117.52 1s7a h ALA 12 Ca 0.25 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1s7a h ALA 12 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1s7a h ALA 12 CO -0.10 0.64 0.37 1.25 0.00 0.00 0.00 179.25 181.42 1s7a h LEU 13 N 0.21 0.65 -0.41 0.00 6.46 -0.35 -0.74 115.31 121.12 1s7a h LEU 13 Ca 0.01 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 1s7a h LEU 13 Cb 0.92 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1s7a h LEU 13 CO 0.08 0.47 -0.24 -0.33 -0.62 0.00 0.00 178.44 177.79 1s7a h GLU 14 N 0.76 0.89 -0.73 1.25 4.39 -1.31 -2.98 114.58 116.84 1s7a h GLU 14 Ca 0.21 -0.41 0.04 0.00 0.34 0.00 0.00 59.36 59.55 1s7a h GLU 14 Cb -0.09 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 1s7a h GLU 14 CO -0.05 1.06 0.45 0.00 -1.16 0.00 0.00 179.01 179.31 1s7a h ALA 15 N 0.81 0.98 -0.92 3.43 0.00 -1.04 -0.07 119.26 122.45 1s7a h ALA 15 Ca 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1s7a h ALA 15 Cb 0.81 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1s7a h ALA 15 CO 0.07 0.19 0.60 0.87 0.00 0.00 0.00 179.25 180.98 1s7a h LYS 16 N 0.85 1.16 -0.20 0.00 1.57 -1.03 0.22 116.57 119.15 1s7a h LYS 16 Ca 0.31 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1s7a h LYS 16 Cb 0.10 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1s7a h LYS 16 CO -0.14 0.77 -0.13 0.82 -0.57 0.00 0.00 179.45 180.20 1s7a h ILE 17 N 1.20 1.32 -0.71 1.86 2.04 -1.18 -1.08 117.51 120.96 1s7a h ILE 17 Ca 0.35 -1.24 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 1s7a h ILE 17 Cb -0.07 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1s7a h ILE 17 CO -0.10 0.37 0.20 0.00 0.00 0.00 0.00 178.15 178.63 1s7a h HIS 19 N 1.06 0.72 -0.12 0.00 3.86 -0.52 -2.26 115.15 117.89 1s7a h HIS 19 Ca 0.23 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1s7a h HIS 19 Cb 0.33 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1s7a h HIS 19 CO 0.03 0.87 0.05 1.96 0.86 0.00 0.00 177.93 181.70 1s7a h GLN 20 N 0.53 0.18 -0.67 2.45 7.50 -0.84 -1.07 115.11 123.19 1s7a h GLN 20 Ca 0.06 -0.03 0.06 0.00 0.50 0.00 0.00 58.65 59.24 1s7a h GLN 20 Cb 0.82 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.28 1s7a h GLN 20 CO 0.07 0.28 0.44 0.82 -1.50 0.00 0.00 178.83 178.94 1s7a h ILE 21 N 0.04 1.01 -0.38 2.54 1.08 -1.35 0.17 117.51 120.62 1s7a h ILE 21 Ca 0.04 -0.23 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 1s7a h ILE 21 Cb 0.16 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 1s7a h ILE 21 CO -0.00 0.12 0.10 -0.08 -0.69 0.00 0.00 178.15 177.61 1s7a h GLU 22 N 0.68 0.56 -0.55 2.37 4.81 -0.71 -1.90 114.58 119.85 1s7a h GLU 22 Ca 0.29 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1s7a h GLU 22 Cb 0.26 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1s7a h GLU 22 CO -0.09 0.50 0.36 -0.92 -0.73 0.00 0.00 179.01 178.13 1s7a h TYR 23 N 0.55 0.68 0.07 0.92 3.20 0.58 8.44 116.97 131.40 1s7a h TYR 23 Ca 0.13 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.76 1s7a h TYR 23 Cb 0.19 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.24 1s7a h TYR 23 CO 0.01 0.42 -1.09 1.88 -1.64 0.00 0.00 178.16 177.74 1s7a h TYR 24 N 0.73 0.60 0.00 -3.82 0.05 -1.44 -3.19 116.97 109.89 1s7a h TYR 24 Ca 0.20 -0.37 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 1s7a h TYR 24 Cb -0.07 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.61 1s7a h TYR 24 CO -0.04 1.23 -1.65 1.19 -1.05 0.00 0.00 178.16 177.84 1s7a n PHE 25 N -3.66 0.00 -0.32 4.88 3.01 -0.74 -2.56 117.46 118.07 1s7a n PHE 25 Ca -0.08 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.40 1s7a n PHE 25 Cb 0.92 -0.35 0.07 0.00 -0.01 0.00 0.00 39.48 40.12 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 1.77 -1.61 0.00 1.37 0.00 2.69 -4.69 105.19 104.73 1s7a n GLY 26 Ca -0.04 0.94 0.00 0.00 0.00 0.00 0.00 46.02 46.91 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 -5.32 0.00 -0.01 1.61 9.92 -1.26 -4.96 116.55 116.53 1s7a n ASP 27 Ca 0.11 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.19 1s7a n ASP 27 Cb 0.38 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.72 1s7a n ASP 27 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1s7a h PHE 28 N 0.00 0.30 -0.05 1.24 0.04 -1.84 -3.33 116.94 113.30 1s7a h PHE 28 Ca 0.00 -0.22 -0.17 0.00 2.80 0.00 0.00 57.97 60.38 1s7a h PHE 28 Cb 0.00 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1s7a h PHE 28 CO 0.00 1.21 -0.70 -0.91 -0.60 0.00 0.00 178.31 177.31 1s7a h ASN 29 N -0.64 0.31 -0.11 2.17 -0.26 -1.62 -3.29 115.58 112.13 1s7a h ASN 29 Ca -0.10 -0.20 0.02 0.00 -0.56 0.00 0.00 56.30 55.46 1s7a h ASN 29 Cb 1.38 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.52 1s7a h ASN 29 CO 0.07 0.91 -0.04 -0.07 -1.06 0.00 0.00 177.43 177.25 1s7a h LEU 30 N 0.18 -0.14 -2.87 1.61 3.38 -1.64 2.36 115.31 118.19 1s7a h LEU 30 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1s7a h LEU 30 Cb 1.25 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1s7a h LEU 30 CO 0.11 -0.05 0.03 -0.65 0.09 0.00 0.00 178.44 177.97 1s7a h PRO 31 N -0.02 0.00 -0.62 1.13 0.11 -1.67 -3.13 132.00 127.81 1s7a h PRO 31 Ca 0.06 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.86 1s7a h PRO 31 Cb 0.11 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 30.92 1s7a h PRO 31 CO -0.13 0.00 -0.85 -2.13 -0.21 0.00 0.00 178.00 174.68 1s7a n ARG 32 N -3.11 1.16 -3.38 1.05 0.63 -0.22 -5.06 116.66 107.73 1s7a n ARG 32 Ca -0.03 -2.66 -0.45 0.00 -0.92 0.00 0.00 57.85 53.79 1s7a n ARG 32 Cb 0.10 -0.78 -0.05 0.00 0.45 0.00 0.00 32.46 32.18 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 -2.30 6.17 -0.00 6.15 1.11 0.78 -4.86 116.67 123.71 1s7a s ASP 33 Ca 0.25 -2.02 -0.21 0.00 0.18 0.00 0.00 52.55 50.76 1s7a s ASP 33 Cb 0.43 -2.16 -0.22 0.00 1.07 0.00 0.00 42.92 42.05 1s7a s ASP 33 CO -0.02 -0.76 1.12 0.11 1.18 0.00 0.00 175.17 176.81 1s7a h LYS 34 N 8.53 0.34 -0.20 8.23 1.79 -1.93 -2.47 116.57 130.86 1s7a h LYS 34 Ca -0.20 -0.32 -0.15 0.00 -2.18 0.00 0.00 60.65 57.80 1s7a h LYS 34 Cb 1.08 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1s7a h LYS 34 CO 0.94 0.99 -0.46 0.27 -1.08 0.00 0.00 179.45 180.11 1s7a h PHE 35 N -0.19 0.84 -0.94 -1.35 -5.15 -1.98 -2.99 116.94 105.18 1s7a h PHE 35 Ca -0.04 -0.32 0.02 0.00 -0.20 0.00 0.00 57.97 57.43 1s7a h PHE 35 Cb 1.11 -0.15 -0.05 0.00 0.22 0.00 0.00 35.95 37.08 1s7a h PHE 35 CO 0.15 1.09 0.62 1.25 -2.00 0.00 0.00 178.31 179.42 1s7a h LEU 36 N 0.35 1.05 -1.75 2.10 7.12 -1.96 -0.44 115.31 121.79 1s7a h LEU 36 Ca -0.00 -0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.01 1s7a h LEU 36 Cb 1.07 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.93 1s7a h LEU 36 CO 0.10 0.75 0.22 0.50 -0.13 0.00 0.00 178.44 179.88 1s7a h LYS 37 N 1.24 0.33 -0.19 1.25 1.63 -1.39 0.23 116.57 119.67 1s7a h LYS 37 Ca 0.36 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.04 1s7a h LYS 37 Cb -0.09 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.47 1s7a h LYS 37 CO -0.09 0.22 -0.25 1.49 -3.45 0.00 0.00 179.45 177.36 1s7a h GLU 38 N 0.34 0.50 -0.22 1.90 4.81 -0.96 -0.48 114.58 120.47 1s7a h GLU 38 Ca 0.13 -0.29 -0.15 0.00 -0.13 0.00 0.00 59.36 58.93 1s7a h GLU 38 Cb 0.11 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1s7a h GLU 38 CO -0.03 0.88 -0.43 1.96 -0.73 0.00 0.00 179.01 180.66 1s7a h GLN 39 N 0.16 0.68 -0.47 1.92 1.08 -0.71 -0.15 115.11 117.62 1s7a h GLN 39 Ca 0.02 -0.44 -0.09 0.00 -1.45 0.00 0.00 58.65 56.69 1s7a h GLN 39 Cb 0.81 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 1s7a h GLN 39 CO 0.06 1.06 -0.08 -0.84 -0.95 0.00 0.00 178.83 178.08 1s7a h ILE 40 N 0.38 1.26 0.00 2.54 3.07 -0.60 -2.70 117.51 121.46 1s7a h ILE 40 Ca 0.01 -1.15 -0.14 0.00 1.55 0.00 0.00 64.86 65.12 1s7a h ILE 40 Cb 1.03 0.98 -0.02 0.00 -0.27 0.00 0.00 36.82 38.54 1s7a h ILE 40 CO 0.10 0.40 -0.69 0.11 -1.05 0.00 0.00 178.15 177.02 1s7a h LYS 41 N 0.77 0.00 -0.93 0.16 1.57 -1.05 0.30 116.57 117.39 1s7a h LYS 41 Ca 0.13 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.15 1s7a h LYS 41 Cb 0.57 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.76 1s7a h LYS 41 CO 0.04 0.69 0.44 1.25 -0.57 0.00 0.00 179.45 181.29 1s7a h LEU 42 N 0.00 0.39 0.00 2.94 5.85 -0.67 -3.44 115.31 120.38 1s7a h LEU 42 Ca -0.01 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1s7a h LEU 42 Cb 1.31 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.46 1s7a h LEU 42 CO 0.09 -0.01 0.00 -0.67 -0.34 0.00 0.00 178.44 177.51 1s7a n ASP 43 N -5.03 0.00 -1.97 1.25 -0.08 -1.22 -5.01 116.55 104.50 1s7a n ASP 43 Ca 0.24 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.29 1s7a n ASP 43 Cb 0.71 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.28 1s7a n ASP 43 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1s7a n GLU 44 N 0.00 2.61 0.00 -0.67 2.13 -1.26 -4.83 120.64 118.62 1s7a n GLU 44 Ca 0.00 -3.41 0.00 0.00 0.66 0.00 0.00 57.16 54.41 1s7a n GLU 44 Cb 0.00 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 29.55 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 -0.96 2.65 3.66 8.31 0.00 0.09 -4.87 105.19 114.06 1s7a n GLY 45 Ca 0.51 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.28 1.66 -0.01 1.61 0.23 -1.26 -3.96 118.94 114.94 1s7a s TRP 46 Ca 0.00 -0.06 0.07 0.00 -2.03 0.00 0.00 56.10 54.08 1s7a s TRP 46 Cb 0.00 -4.06 -0.02 0.00 0.03 0.00 0.00 33.47 29.42 1s7a s TRP 46 CO 0.00 -4.55 -0.23 0.08 0.96 0.00 0.00 176.95 173.20 1s7a s VAL 47 N 4.39 1.83 0.32 4.03 1.01 0.34 -4.77 120.40 127.55 1s7a s VAL 47 Ca 0.80 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1s7a s VAL 47 Cb -0.37 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 1s7a s VAL 47 CO 0.35 0.47 0.69 -2.16 0.00 0.00 0.00 175.10 174.46 1s7a s PRO 48 N -0.66 3.90 0.00 2.72 0.05 -1.26 0.19 135.00 139.95 1s7a s PRO 48 Ca 0.09 0.52 0.00 0.00 0.05 0.00 0.00 61.00 61.66 1s7a s PRO 48 Cb -0.09 -2.48 0.00 0.00 0.05 0.00 0.00 34.50 31.98 1s7a s PRO 48 CO -0.00 0.16 0.45 1.28 0.05 0.00 0.00 177.00 178.93 1s7a n LEU 49 N -0.51 0.00 -0.12 -3.56 4.77 -1.25 -1.66 117.00 114.67 1s7a n LEU 49 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 1s7a n LEU 49 Cb 0.53 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1s7a n LEU 49 CO 0.44 -0.00 0.69 1.05 -1.33 0.00 0.00 177.39 178.23 1s7a h GLU 50 N 0.00 0.74 -0.76 3.23 4.11 -1.92 1.44 114.58 121.42 1s7a h GLU 50 Ca 0.00 -0.30 -0.01 0.00 0.07 0.00 0.00 59.36 59.11 1s7a h GLU 50 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1s7a h GLU 50 CO 0.00 0.91 0.42 0.82 0.07 0.00 0.00 179.01 181.23 1s7a h ILE 51 N 0.53 1.23 0.07 -1.06 1.08 -1.71 0.35 117.51 118.00 1s7a h ILE 51 Ca 0.09 -0.56 -0.21 0.00 -0.39 0.00 0.00 64.86 63.79 1s7a h ILE 51 Cb 0.66 0.21 0.02 0.00 -3.07 0.00 0.00 36.82 34.65 1s7a h ILE 51 CO 0.05 0.25 -0.86 0.24 -0.69 0.00 0.00 178.15 177.13 1s7a h MET 52 N 1.05 0.46 -0.08 2.37 2.86 -1.61 -3.19 114.93 116.78 1s7a h MET 52 Ca 0.27 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1s7a h MET 52 Cb 0.03 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1s7a h MET 52 CO -0.04 1.23 0.00 0.44 1.06 0.00 0.00 176.91 179.60 1s7a n ILE 53 N -4.06 0.10 -0.05 -1.22 -6.64 0.49 -3.81 119.36 104.19 1s7a n ILE 53 Ca -0.12 -0.21 -0.01 0.00 -1.77 0.00 0.00 62.75 60.64 1s7a n ILE 53 Cb 0.81 0.14 -0.12 0.00 -1.44 0.00 0.00 39.64 39.03 1s7a n ILE 53 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1s7a n LYS 54 N -0.11 1.11 -2.28 6.28 4.81 0.12 -4.36 118.16 123.73 1s7a n LYS 54 Ca 0.17 -0.07 -0.37 0.00 -0.87 0.00 0.00 58.31 57.17 1s7a n LYS 54 Cb 0.24 -1.38 -0.01 0.00 0.02 0.00 0.00 35.03 33.90 1s7a n LYS 54 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1s7a s PHE 55 N -2.68 2.87 0.61 5.64 0.08 -1.21 -4.76 117.98 118.53 1s7a s PHE 55 Ca -0.07 1.55 0.32 0.00 0.12 0.00 0.00 56.93 58.85 1s7a s PHE 55 Cb 0.07 -3.34 1.91 0.00 -0.57 0.00 0.00 43.02 41.09 1s7a s PHE 55 CO 0.64 -1.44 2.26 -2.95 -0.10 0.00 0.00 175.22 173.62 1s7a h ASN 56 N 1.92 0.00 -0.54 1.36 7.08 -1.93 0.16 115.58 123.63 1s7a h ASN 56 Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 1s7a h ASN 56 Cb 1.25 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.46 1s7a h ASN 56 CO 0.60 0.00 0.36 0.03 -2.08 0.00 0.00 177.43 176.33 1s7a h ARG 57 N 0.00 0.71 0.05 4.14 3.08 -1.91 -2.41 114.38 118.05 1s7a h ARG 57 Ca 0.01 -0.04 -0.36 0.00 0.07 0.00 0.00 59.98 59.65 1s7a h ARG 57 Cb 0.07 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1s7a h ARG 57 CO -0.00 0.47 -2.15 -0.11 -1.07 0.00 0.00 179.97 177.11 1s7a n LEU 58 N -4.71 2.18 0.28 3.04 0.00 -0.81 -4.09 117.00 112.89 1s7a n LEU 58 Ca 0.03 0.11 0.18 0.00 0.00 0.00 0.00 56.01 56.33 1s7a n LEU 58 Cb 0.02 -0.67 0.91 0.00 0.00 0.00 0.00 43.42 43.68 1s7a n LEU 58 CO 0.35 0.77 1.15 -1.13 0.00 0.00 0.00 177.39 178.54 1s7a h ASN 59 N 0.03 0.00 0.37 1.96 -0.73 -0.74 0.26 115.58 116.73 1s7a h ASN 59 Ca -0.47 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.70 1s7a h ASN 59 Cb 2.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.60 1s7a h ASN 59 CO 0.02 0.00 0.00 -1.14 -0.37 0.00 0.00 177.43 175.94 1s7a n ARG 60 N -3.25 0.20 0.00 6.67 0.63 -0.91 -4.79 116.66 115.22 1s7a n ARG 60 Ca -0.00 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1s7a n ARG 60 Cb 0.32 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.73 1s7a n ARG 60 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1s7a n LEU 61 N -1.32 0.00 0.00 6.15 4.32 0.92 -5.07 117.00 122.00 1s7a n LEU 61 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1s7a n LEU 61 Cb 0.15 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1s7a n LEU 61 CO 0.14 0.00 0.06 0.41 -1.22 0.00 0.00 177.39 176.78 1s7a n THR 62 N 0.00 0.00 -0.80 -5.08 -1.04 -1.26 -4.73 114.28 101.37 1s7a n THR 62 Ca 0.00 0.62 0.00 0.00 -2.04 0.00 0.00 64.05 62.63 1s7a n THR 62 Cb 0.00 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 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 -0.23 0.00 -2.87 12.58 -1.04 -1.25 -4.91 114.28 116.55 1s7a n THR 63 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1s7a n THR 63 Cb 0.00 -0.22 -0.04 0.00 -1.82 0.00 0.00 70.33 68.24 1s7a n THR 63 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1s7a s ASP 64 N -2.55 6.70 0.32 8.00 -1.08 -1.26 -4.82 116.67 121.99 1s7a s ASP 64 Ca 0.00 0.70 0.08 0.00 -0.52 0.00 0.00 52.55 52.81 1s7a s ASP 64 Cb 0.00 -2.44 0.93 0.00 -1.46 0.00 0.00 42.92 39.96 1s7a s ASP 64 CO 0.00 -0.70 1.60 -0.26 0.52 0.00 0.00 175.17 176.33 1s7a h PHE 65 N 8.19 0.39 -0.22 -5.34 0.04 -1.95 1.44 116.94 119.49 1s7a h PHE 65 Ca -0.23 0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.46 1s7a h PHE 65 Cb 1.09 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.22 1s7a h PHE 65 CO 0.79 -0.36 -0.36 -0.91 -0.60 0.00 0.00 178.31 176.87 1s7a h ASN 66 N 0.09 0.69 -0.15 2.17 4.21 -1.98 0.93 115.58 121.55 1s7a h ASN 66 Ca 0.67 -0.53 -0.09 0.00 1.21 0.00 0.00 56.30 57.56 1s7a h ASN 66 Cb 1.51 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 1s7a h ASN 66 CO -0.78 1.09 -0.26 0.58 -1.29 0.00 0.00 177.43 176.77 1s7a h VAL 67 N 0.32 1.36 -0.30 2.81 2.07 -0.71 -2.46 116.25 119.34 1s7a h VAL 67 Ca 0.02 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 65.99 1s7a h VAL 67 Cb 0.95 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1s7a h VAL 67 CO 0.08 0.45 0.03 -0.29 0.02 0.00 0.00 177.57 177.87 1s7a h ILE 68 N 0.05 1.24 -0.55 4.57 2.10 0.17 -2.51 117.51 122.58 1s7a h ILE 68 Ca 0.01 -0.84 0.04 0.00 1.08 0.00 0.00 64.86 65.15 1s7a h ILE 68 Cb 0.85 1.21 -0.04 0.00 -1.09 0.00 0.00 36.82 37.75 1s7a h ILE 68 CO 0.06 0.27 0.30 0.58 -1.08 0.00 0.00 178.15 178.28 1s7a h VAL 69 N 0.32 0.99 -0.20 2.19 2.07 -0.85 0.16 116.25 120.92 1s7a h VAL 69 Ca 0.09 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1s7a h VAL 69 Cb 0.37 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1s7a h VAL 69 CO 0.01 0.11 0.12 -0.33 0.02 0.00 0.00 177.57 177.49 1s7a h GLU 70 N 0.58 0.28 0.09 1.57 5.08 -1.33 0.50 114.58 121.36 1s7a h GLU 70 Ca 0.24 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1s7a h GLU 70 Cb 0.11 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1s7a h GLU 70 CO -0.14 0.24 -0.05 0.00 -1.00 0.00 0.00 179.01 178.06 1s7a h ALA 71 N 1.02 -0.13 -0.02 3.43 0.00 -1.11 -3.02 119.26 119.44 1s7a h ALA 71 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1s7a h ALA 71 Cb 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1s7a h ALA 71 CO -0.01 -0.37 -0.31 1.37 0.00 0.00 0.00 179.25 179.93 1s7a h LEU 72 N -0.53 0.03 0.00 0.00 8.10 -0.69 -1.63 115.31 120.59 1s7a h LEU 72 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1s7a h LEU 72 Cb 0.44 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1s7a h LEU 72 CO 0.02 0.34 0.00 -1.54 -4.11 0.00 0.00 178.44 173.15 1s7a n SER 73 N -4.17 0.00 -0.00 0.17 3.41 0.17 -2.58 113.62 110.62 1s7a n SER 73 Ca -0.02 -0.50 0.06 0.00 -0.26 0.00 0.00 58.87 58.15 1s7a n SER 73 Cb 0.36 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 1s7a n SER 73 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s7a n LYS 74 N -1.08 1.84 -1.13 4.33 4.76 -0.62 -5.02 118.16 121.24 1s7a n LYS 74 Ca 0.15 -0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.19 1s7a n LYS 74 Cb 0.10 -1.15 0.10 0.00 -1.84 0.00 0.00 35.03 32.24 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 -1.58 -0.25 -2.83 4.39 2.88 -1.07 -4.96 113.62 110.21 1s7a n SER 75 Ca 0.00 0.55 -0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1s7a n SER 75 Cb 0.24 -1.36 0.05 0.00 -0.75 0.00 0.00 64.21 62.40 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 1.69 -0.37 -1.46 2.85 -1.26 -4.85 118.16 112.70 1s7a n LYS 76 Ca 0.11 -3.40 0.05 0.00 -1.05 0.00 0.00 58.31 54.02 1s7a n LYS 76 Cb 0.51 -1.51 0.21 0.00 -0.65 0.00 0.00 35.03 33.58 1s7a n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s7a n ALA 77 N -0.62 2.88 -2.72 0.58 0.00 -1.26 -4.89 120.51 114.49 1s7a n ALA 77 Ca 0.06 -0.92 -0.17 0.00 0.00 0.00 0.00 53.44 52.41 1s7a n ALA 77 Cb 0.80 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 1s7a n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1s7a n GLU 78 N 0.53 -0.97 0.00 0.00 2.13 -1.26 -4.74 120.64 116.33 1s7a n GLU 78 Ca 0.15 0.06 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1s7a n GLU 78 Cb 0.58 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1s7a n GLU 78 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1s7a n LEU 79 N -1.99 0.74 0.00 4.31 7.94 -1.26 -5.02 117.00 121.72 1s7a n LEU 79 Ca 0.05 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1s7a n LEU 79 Cb 0.20 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.93 1s7a n LEU 79 CO 0.39 -0.22 0.00 0.23 -1.11 0.00 0.00 177.39 176.68 1s7a n MET 80 N -1.60 1.83 -3.93 1.96 2.81 -1.26 -4.52 117.12 112.40 1s7a n MET 80 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 1s7a n MET 80 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 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 1.20 0.53 0.02 0.03 0.41 -1.12 -4.93 118.70 114.84 1s7a s GLU 81 Ca 0.00 -0.68 0.08 0.00 -0.41 0.00 0.00 54.97 53.95 1s7a s GLU 81 Cb 0.00 0.21 -0.02 0.00 -1.78 0.00 0.00 34.13 32.53 1s7a s GLU 81 CO 0.00 -0.12 -0.22 0.42 -0.49 0.00 0.00 175.26 174.84 1s7a s ILE 82 N -2.25 1.80 0.00 -1.63 1.01 -1.26 -2.71 121.20 116.15 1s7a s ILE 82 Ca -0.08 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1s7a s ILE 82 Cb -0.03 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1s7a s ILE 82 CO -0.03 0.34 0.00 -1.54 0.00 0.00 0.00 174.94 173.71 1s7a n SER 83 N 2.06 -0.85 0.16 3.58 3.41 -1.26 -4.85 113.62 115.87 1s7a n SER 83 Ca -0.16 -0.13 0.08 0.00 -0.26 0.00 0.00 58.87 58.39 1s7a n SER 83 Cb 0.53 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.55 1s7a n SER 83 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1s7a h GLU 84 N 0.00 0.00 0.00 4.33 4.81 -2.00 -3.21 114.58 118.51 1s7a h GLU 84 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s7a h GLU 84 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1s7a h GLU 84 CO 0.00 0.18 -0.04 -3.47 -0.73 0.00 0.00 179.01 174.95 1s7a n ASP 85 N -3.05 0.26 -0.68 1.04 -0.08 -1.26 -4.89 116.55 107.89 1s7a n ASP 85 Ca 0.01 0.47 -0.09 0.00 -1.51 0.00 0.00 54.79 53.68 1s7a n ASP 85 Cb 0.63 -0.52 -0.04 0.00 2.34 0.00 0.00 41.12 43.53 1s7a n ASP 85 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1s7a n LYS 86 N -1.72 -1.30 -1.96 -0.67 2.85 -1.21 -4.85 118.16 109.29 1s7a n LYS 86 Ca 0.06 0.76 -0.26 0.00 -1.05 0.00 0.00 58.31 57.82 1s7a n LYS 86 Cb 0.37 -4.93 0.03 0.00 -0.65 0.00 0.00 35.03 29.85 1s7a n LYS 86 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1s7a n THR 87 N -2.40 2.69 -3.48 0.58 -2.24 -1.26 -4.83 114.28 103.34 1s7a n THR 87 Ca -0.09 -4.10 -0.14 0.00 -2.27 0.00 0.00 64.05 57.45 1s7a n THR 87 Cb 0.46 -1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 67.50 1s7a n THR 87 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1s7a s LYS 88 N -3.63 1.10 0.03 -0.78 2.47 -1.26 -3.86 119.74 113.81 1s7a s LYS 88 Ca 0.53 -0.11 0.02 0.00 -1.56 0.00 0.00 55.97 54.85 1s7a s LYS 88 Cb 0.42 0.51 -0.02 0.00 -1.46 0.00 0.00 37.83 37.29 1s7a s LYS 88 CO 0.01 -0.42 -0.08 0.96 0.16 0.00 0.00 175.35 175.98 1s7a s ILE 89 N -2.44 0.59 0.07 5.43 -4.36 0.51 -4.19 121.20 116.81 1s7a s ILE 89 Ca -0.04 -0.79 -0.08 0.00 -0.26 0.00 0.00 60.65 59.48 1s7a s ILE 89 Cb -0.01 -0.59 -0.00 0.00 1.25 0.00 0.00 42.46 43.11 1s7a s ILE 89 CO -0.02 -0.16 0.17 0.00 0.24 0.00 0.00 174.94 175.16 1s7a s ARG 90 N -1.04 0.78 -0.15 0.37 1.70 -1.10 0.13 118.95 119.64 1s7a s ARG 90 Ca -0.04 -0.91 -0.08 0.00 -0.47 0.00 0.00 55.73 54.23 1s7a s ARG 90 Cb -0.07 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1s7a s ARG 90 CO 0.00 -0.23 0.12 0.50 -1.08 0.00 0.00 175.30 174.61 1s7a s ARG 91 N -3.57 3.68 -0.38 3.89 3.52 -1.26 -2.78 118.95 122.05 1s7a s ARG 91 Ca 0.03 -0.20 -0.28 0.00 -0.13 0.00 0.00 55.73 55.15 1s7a s ARG 91 Cb 0.04 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.18 1s7a s ARG 91 CO -0.09 0.58 1.79 -1.12 -0.81 0.00 0.00 175.30 175.65 1s7a s SER 92 N -0.45 5.80 0.56 -2.12 0.01 -1.26 -4.80 113.70 111.43 1s7a s SER 92 Ca 0.11 1.12 0.33 0.00 1.31 0.00 0.00 55.95 58.82 1s7a s SER 92 Cb -0.12 -2.53 1.59 0.00 0.21 0.00 0.00 66.02 65.17 1s7a s SER 92 CO 0.02 -1.81 2.09 1.55 0.41 0.00 0.00 173.24 175.49 1s7a h PRO 93 N 13.17 0.00 -0.19 12.44 0.13 -1.96 -0.71 132.00 154.88 1s7a h PRO 93 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1s7a h PRO 93 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1s7a h PRO 93 CO 1.07 0.07 0.00 0.43 -0.23 0.00 0.00 178.00 179.33 1s7a n SER 94 N -3.33 1.79 -4.26 1.44 7.64 -1.26 -4.80 113.62 110.84 1s7a n SER 94 Ca -0.01 -1.75 -0.32 0.00 1.01 0.00 0.00 58.87 57.80 1s7a n SER 94 Cb 0.24 -0.12 -0.16 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.75 3.01 0.52 1.43 1.02 -0.27 -5.11 119.74 118.58 1s7a s LYS 95 Ca 0.32 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 55.25 1s7a s LYS 95 Cb 0.17 -2.33 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 1s7a s LYS 95 CO 0.26 0.23 1.18 -1.25 -0.92 0.00 0.00 175.35 174.85 1s7a s PRO 96 N 0.24 3.42 -0.17 -1.68 0.04 -1.26 -4.81 135.00 130.77 1s7a s PRO 96 Ca -0.15 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.69 1s7a s PRO 96 Cb -0.17 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1s7a s PRO 96 CO 0.07 -0.83 -0.14 -0.48 0.04 0.00 0.00 177.00 175.66 1s7a s LEU 97 N -3.51 1.99 0.30 -3.56 0.05 -1.26 -5.12 118.68 107.58 1s7a s LEU 97 Ca 0.70 -0.65 -0.03 0.00 0.05 0.00 0.00 54.13 54.20 1s7a s LEU 97 Cb -0.29 -1.27 -0.04 0.00 -2.05 0.00 0.00 46.19 42.54 1s7a s LEU 97 CO 0.33 -0.07 0.54 -2.16 -0.55 0.00 0.00 176.35 174.44 1s7a s PRO 98 N 1.41 3.56 -0.43 1.48 0.04 -1.26 -4.96 135.00 134.84 1s7a s PRO 98 Ca 0.03 -0.15 -0.08 0.00 0.04 0.00 0.00 61.00 60.85 1s7a s PRO 98 Cb -0.14 -2.67 0.10 0.00 0.04 0.00 0.00 34.50 31.83 1s7a s PRO 98 CO -0.10 0.20 0.27 -2.00 0.04 0.00 0.00 177.00 175.41 1s7a s GLU 99 N -3.81 2.46 0.32 4.56 2.12 -1.26 -4.70 118.70 118.39 1s7a s GLU 99 Ca 0.42 -1.61 -0.06 0.00 0.36 0.00 0.00 54.97 54.08 1s7a s GLU 99 Cb -0.10 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 1s7a s GLU 99 CO 0.32 -1.04 0.60 0.14 -0.54 0.00 0.00 175.26 174.75 1s7a s VAL 100 N 1.35 4.98 0.07 3.70 -7.23 -1.26 -5.06 120.40 116.94 1s7a s VAL 100 Ca 0.04 0.15 -0.23 0.00 -1.81 0.00 0.00 61.98 60.14 1s7a s VAL 100 Cb -0.24 -3.74 -0.06 0.00 0.56 0.00 0.00 36.38 32.90 1s7a s VAL 100 CO 0.00 -0.38 0.68 0.42 -0.31 0.00 0.00 175.10 175.51 1s7a s THR 101 N -2.17 4.69 0.23 5.32 -4.23 -1.26 -4.81 115.64 113.41 1s7a s THR 101 Ca 0.45 1.46 -0.32 0.00 -1.18 0.00 0.00 61.69 62.11 1s7a s THR 101 Cb -0.11 -4.03 -0.13 0.00 1.34 0.00 0.00 72.50 69.57 1s7a s THR 101 CO 0.31 0.46 1.47 -0.67 -0.54 0.00 0.00 174.62 175.65 1s7a n ASP 102 N 2.25 3.00 0.00 3.99 -0.08 -1.26 -5.18 116.55 119.27 1s7a n ASP 102 Ca -0.06 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.35 1s7a n ASP 102 Cb 0.50 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.51 1s7a n ASP 102 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53