#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7a s ALA 2 N 0.00 -2.90 -1.09 -5.12 0.00 -1.26 -5.06 121.76 106.33 1s7a s ALA 2 Ca 0.00 1.95 -0.26 0.00 0.00 0.00 0.00 51.96 53.64 1s7a s ALA 2 Cb 0.00 -2.11 -0.21 0.00 0.00 0.00 0.00 23.12 20.80 1s7a s ALA 2 CO 0.00 -0.79 2.08 0.39 0.00 0.00 0.00 175.76 177.43 1s7a n GLU 3 N 4.35 0.40 -3.44 0.00 4.71 -1.26 -4.81 120.64 120.58 1s7a n GLU 3 Ca -0.10 -1.85 -0.43 0.00 -0.01 0.00 0.00 57.16 54.76 1s7a n GLU 3 Cb 0.55 -3.89 -0.03 0.00 -1.01 0.00 0.00 31.44 27.05 1s7a n GLU 3 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1s7a s ASN 4 N 8.12 6.54 0.00 1.62 -0.87 -1.26 -4.51 114.94 124.58 1s7a s ASN 4 Ca 0.79 -3.11 0.00 0.00 -1.57 0.00 0.00 52.86 48.97 1s7a s ASN 4 Cb -0.04 -2.11 0.00 0.00 -0.02 0.00 0.00 41.25 39.09 1s7a s ASN 4 CO 0.18 -0.41 0.00 0.61 -2.57 0.00 0.00 177.10 174.92 1s7a n GLY 5 N 3.31 0.33 3.62 0.66 0.00 -1.26 -4.96 105.19 106.89 1s7a n GLY 5 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.08 6.55 1.04 1.61 2.15 -1.26 -5.05 116.67 119.63 1s7a s ASP 6 Ca 0.00 0.63 -0.11 0.00 0.43 0.00 0.00 52.55 53.50 1s7a s ASP 6 Cb 0.00 -2.33 0.21 0.00 -0.30 0.00 0.00 42.92 40.50 1s7a s ASP 6 CO 0.00 -0.39 1.08 0.20 -0.17 0.00 0.00 175.17 175.90 1s7a s ASN 7 N 1.51 2.00 0.32 -0.34 -0.87 -1.26 -4.84 114.94 111.47 1s7a s ASN 7 Ca 0.25 1.81 0.07 0.00 -1.57 0.00 0.00 52.86 53.42 1s7a s ASN 7 Cb -0.15 -2.41 0.55 0.00 -0.02 0.00 0.00 41.25 39.21 1s7a s ASN 7 CO 0.09 -3.61 1.78 -0.33 -2.57 0.00 0.00 177.10 172.45 1s7a h GLU 8 N -2.22 0.29 -0.16 -0.60 5.08 -1.99 -2.93 114.58 112.06 1s7a h GLU 8 Ca -0.53 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 57.77 1s7a h GLU 8 Cb 1.30 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1s7a h GLU 8 CO 0.47 0.56 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.65 1s7a h LYS 9 N 0.26 -0.19 -0.72 2.33 1.63 -1.99 0.65 116.57 118.53 1s7a h LYS 9 Ca 0.04 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 1s7a h LYS 9 Cb 0.63 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 1s7a h LYS 9 CO 0.05 -0.13 0.19 0.52 -3.45 0.00 0.00 179.45 176.63 1s7a h MET 10 N -0.20 1.15 -0.57 1.90 2.86 -1.90 -0.37 114.93 117.79 1s7a h MET 10 Ca 0.11 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1s7a h MET 10 Cb 0.35 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1s7a h MET 10 CO -0.27 1.00 0.36 0.00 1.06 0.00 0.00 176.91 179.05 1s7a h ALA 11 N 1.11 0.73 -0.08 6.32 0.00 -1.18 -1.80 119.26 124.35 1s7a h ALA 11 Ca 0.23 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1s7a h ALA 11 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1s7a h ALA 11 CO -0.00 0.10 -0.53 0.00 0.00 0.00 0.00 179.25 178.81 1s7a h ALA 12 N 1.24 0.94 -0.74 0.00 0.00 -0.62 -2.92 119.26 117.17 1s7a h ALA 12 Ca 0.22 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1s7a h ALA 12 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1s7a h ALA 12 CO -0.08 0.68 0.48 1.25 0.00 0.00 0.00 179.25 181.58 1s7a h LEU 13 N 0.19 0.82 -0.21 0.00 7.12 -0.25 0.78 115.31 123.76 1s7a h LEU 13 Ca 0.00 -0.02 -0.05 0.00 0.13 0.00 0.00 57.88 57.95 1s7a h LEU 13 Cb 1.00 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 1s7a h LEU 13 CO 0.08 0.59 -0.04 -0.08 -0.13 0.00 0.00 178.44 178.86 1s7a h GLU 14 N 0.97 0.41 -0.07 1.25 4.81 -1.32 -2.95 114.58 117.67 1s7a h GLU 14 Ca 0.28 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 1s7a h GLU 14 Cb -0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1s7a h GLU 14 CO -0.07 0.64 -0.47 0.00 -0.73 0.00 0.00 179.01 178.38 1s7a h ALA 15 N 0.75 1.07 -0.79 2.92 0.00 -1.29 -3.00 119.26 118.92 1s7a h ALA 15 Ca 0.06 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1s7a h ALA 15 Cb 0.49 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1s7a h ALA 15 CO 0.02 0.63 0.49 -0.22 0.00 0.00 0.00 179.25 180.17 1s7a h LYS 16 N 0.15 0.91 -0.36 0.00 3.64 0.71 0.86 116.57 122.48 1s7a h LYS 16 Ca 0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1s7a h LYS 16 Cb 0.89 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1s7a h LYS 16 CO 0.07 0.60 0.13 0.82 -2.27 0.00 0.00 179.45 178.81 1s7a h ILE 17 N 0.93 1.19 -0.30 2.00 2.04 -1.38 -1.69 117.51 120.30 1s7a h ILE 17 Ca 0.33 -0.60 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 1s7a h ILE 17 Cb 0.08 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1s7a h ILE 17 CO -0.14 0.21 -0.44 0.00 0.00 0.00 0.00 178.15 177.78 1s7a h HIS 19 N 0.60 0.83 -0.12 0.00 3.86 0.88 -0.75 115.15 120.45 1s7a h HIS 19 Ca 0.03 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1s7a h HIS 19 Cb 1.04 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1s7a h HIS 19 CO 0.07 0.46 0.04 0.37 0.86 0.00 0.00 177.93 179.74 1s7a h GLN 20 N 0.84 0.18 -0.66 2.45 5.75 -1.20 -1.81 115.11 120.66 1s7a h GLN 20 Ca 0.31 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.82 1s7a h GLN 20 Cb 0.15 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 1s7a h GLN 20 CO -0.10 0.30 0.44 0.82 -2.65 0.00 0.00 178.83 177.64 1s7a h ILE 21 N 0.03 1.04 -0.48 2.39 1.08 -1.28 0.78 117.51 121.07 1s7a h ILE 21 Ca 0.04 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1s7a h ILE 21 Cb 0.19 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 1s7a h ILE 21 CO -0.00 0.13 0.29 -0.08 -0.69 0.00 0.00 178.15 177.79 1s7a h GLU 22 N 0.71 0.64 -0.41 2.37 4.22 -0.37 -0.60 114.58 121.14 1s7a h GLU 22 Ca 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 1s7a h GLU 22 Cb 0.20 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1s7a h GLU 22 CO -0.08 0.45 0.21 -0.92 -2.18 0.00 0.00 179.01 176.49 1s7a h TYR 23 N 0.66 0.58 0.15 0.92 3.20 -0.05 4.84 116.97 127.26 1s7a h TYR 23 Ca 0.17 -0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.72 1s7a h TYR 23 Cb -0.02 -0.18 0.03 0.00 1.54 0.00 0.00 36.73 38.10 1s7a h TYR 23 CO 0.00 0.47 -1.27 1.88 -1.64 0.00 0.00 178.16 177.60 1s7a h TYR 24 N 0.53 0.99 0.00 -3.82 0.05 -1.42 -3.21 116.97 110.09 1s7a h TYR 24 Ca 0.14 -0.65 -0.07 0.00 0.05 0.00 0.00 58.73 58.21 1s7a h TYR 24 Cb 0.09 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1s7a h TYR 24 CO -0.02 1.49 -1.83 1.19 -1.05 0.00 0.00 178.16 177.94 1s7a n PHE 25 N -3.80 0.26 0.00 4.88 3.72 -0.26 -2.32 117.46 119.93 1s7a n PHE 25 Ca -0.14 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1s7a n PHE 25 Cb 1.00 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 1.33 0.45 4.87 1.37 0.00 1.58 -4.36 105.19 110.42 1s7a n GLY 26 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.99 0.00 -0.06 1.61 8.00 -1.26 -4.62 116.55 122.21 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 -0.89 -0.13 0.00 -0.02 0.00 0.00 41.12 40.08 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 0.05 0.07 1.24 3.04 -1.76 -3.34 116.94 116.24 1s7a h PHE 28 Ca 0.00 -0.04 -0.25 0.00 3.98 0.00 0.00 57.97 61.67 1s7a h PHE 28 Cb 0.00 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 1s7a h PHE 28 CO 0.00 1.05 -1.10 -0.91 -2.02 0.00 0.00 178.31 175.32 1s7a h ASN 29 N -0.94 0.37 -0.83 0.41 4.21 -1.56 -3.33 115.58 113.90 1s7a h ASN 29 Ca -0.03 -0.36 0.05 0.00 1.21 0.00 0.00 56.30 57.17 1s7a h ASN 29 Cb 1.07 -0.12 -0.05 0.00 -1.12 0.00 0.00 38.32 38.10 1s7a h ASN 29 CO 0.01 1.24 0.54 0.25 -1.29 0.00 0.00 177.43 178.17 1s7a h LEU 30 N 0.10 0.84 -2.27 1.61 5.85 -1.63 3.59 115.31 123.40 1s7a h LEU 30 Ca -0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1s7a h LEU 30 Cb 1.80 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.65 1s7a h LEU 30 CO 0.18 0.56 0.08 -0.65 -0.34 0.00 0.00 178.44 178.27 1s7a h PRO 31 N 0.97 0.00 0.00 5.25 0.11 -1.68 -3.16 132.00 133.49 1s7a h PRO 31 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1s7a h PRO 31 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1s7a h PRO 31 CO -0.11 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 175.55 1s7a n ARG 32 N -2.76 0.00 -1.57 1.05 0.63 -0.58 -5.05 116.66 108.37 1s7a n ARG 32 Ca -0.02 -0.06 -0.33 0.00 -0.92 0.00 0.00 57.85 56.51 1s7a n ARG 32 Cb 0.13 -0.31 -0.03 0.00 0.45 0.00 0.00 32.46 32.70 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 0.00 4.39 0.01 6.15 1.11 1.18 -4.78 116.67 124.72 1s7a s ASP 33 Ca 0.00 0.93 -0.21 0.00 0.18 0.00 0.00 52.55 53.46 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 -2.99 1.17 0.11 1.18 0.00 0.00 175.17 174.64 1s7a h LYS 34 N 18.67 0.37 -0.39 8.23 1.79 -1.92 -1.63 116.57 141.68 1s7a h LYS 34 Ca -0.21 -0.31 -0.09 0.00 -2.18 0.00 0.00 60.65 57.86 1s7a h LYS 34 Cb 1.23 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 1s7a h LYS 34 CO 1.14 0.96 -0.09 0.27 -1.08 0.00 0.00 179.45 180.66 1s7a h PHE 35 N -0.13 0.84 -0.37 -1.35 -0.00 -1.98 -2.76 116.94 111.19 1s7a h PHE 35 Ca -0.03 -0.18 -0.06 0.00 -0.00 0.00 0.00 57.97 57.70 1s7a h PHE 35 Cb 1.05 -0.21 -0.02 0.00 -0.00 0.00 0.00 35.95 36.78 1s7a h PHE 35 CO 0.13 0.88 -0.00 1.25 -0.00 0.00 0.00 178.31 180.57 1s7a h LEU 36 N 0.56 0.55 -2.05 2.10 7.12 -1.95 -1.53 115.31 120.11 1s7a h LEU 36 Ca 0.10 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 1s7a h LEU 36 Cb 0.61 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1s7a h LEU 36 CO 0.04 0.62 -0.09 0.50 -0.13 0.00 0.00 178.44 179.38 1s7a h LYS 37 N 0.56 0.00 -0.11 1.25 3.11 -1.02 -1.47 116.57 118.89 1s7a h LYS 37 Ca 0.12 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.88 1s7a h LYS 37 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1s7a h LYS 37 CO 0.01 0.09 -0.22 0.93 -2.81 0.00 0.00 179.45 177.46 1s7a h GLU 38 N 0.00 0.34 -0.34 1.90 5.08 -1.04 -1.59 114.58 118.93 1s7a h GLU 38 Ca -0.00 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 57.98 1s7a h GLU 38 Cb 0.24 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1s7a h GLU 38 CO 0.01 0.82 -0.40 1.96 -1.00 0.00 0.00 179.01 180.40 1s7a h GLN 39 N -0.09 0.87 -0.51 2.33 1.08 -1.42 -0.31 115.11 117.07 1s7a h GLN 39 Ca 0.00 -0.48 -0.08 0.00 -1.45 0.00 0.00 58.65 56.64 1s7a h GLN 39 Cb 0.80 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 1s7a h GLN 39 CO 0.05 1.13 -0.01 -0.84 -0.95 0.00 0.00 178.83 178.21 1s7a h ILE 40 N 0.67 1.25 0.00 2.54 3.07 -1.33 -2.80 117.51 120.90 1s7a h ILE 40 Ca 0.05 -1.05 -0.16 0.00 1.55 0.00 0.00 64.86 65.24 1s7a h ILE 40 Cb 0.99 0.87 -0.02 0.00 -0.27 0.00 0.00 36.82 38.39 1s7a h ILE 40 CO 0.10 0.37 -0.76 0.50 -1.05 0.00 0.00 178.15 177.31 1s7a h LYS 41 N 0.79 0.00 0.00 0.16 1.63 -1.21 0.22 116.57 118.16 1s7a h LYS 41 Ca 0.15 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1s7a h LYS 41 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1s7a h LYS 41 CO 0.02 0.76 0.00 1.28 -3.45 0.00 0.00 179.45 178.07 1s7a n LEU 42 N -3.40 0.00 0.00 5.20 4.32 -0.13 -4.72 117.00 118.26 1s7a n LEU 42 Ca 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 1s7a n LEU 42 Cb 0.80 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.60 1s7a n LEU 42 CO 0.44 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.08 1s7a n ASP 43 N -0.60 0.00 -2.45 -1.43 8.00 -1.26 -4.88 116.55 113.92 1s7a n ASP 43 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 1s7a n ASP 43 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 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 2.97 -2.14 -1.24 2.13 -1.26 -4.84 120.64 116.26 1s7a n GLU 44 Ca 0.00 -3.66 -0.04 0.00 0.66 0.00 0.00 57.16 54.12 1s7a n GLU 44 Cb 0.00 -2.28 0.02 0.00 0.27 0.00 0.00 31.44 29.45 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 -0.72 0.32 2.68 8.31 0.00 0.76 -5.02 105.19 111.52 1s7a n GLY 45 Ca 0.54 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.09 0.64 -0.05 1.61 0.52 -1.26 -4.29 118.94 113.02 1s7a s TRP 46 Ca 0.06 -0.59 -0.03 0.00 0.02 0.00 0.00 56.10 55.56 1s7a s TRP 46 Cb -0.01 -0.87 -0.04 0.00 -1.15 0.00 0.00 33.47 31.41 1s7a s TRP 46 CO 0.18 -0.56 0.11 0.08 0.02 0.00 0.00 176.95 176.79 1s7a s VAL 47 N 1.99 5.04 0.28 4.03 1.01 0.64 -4.81 120.40 128.58 1s7a s VAL 47 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1s7a s VAL 47 Cb -0.16 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 1s7a s VAL 47 CO -0.08 0.46 0.61 -2.16 0.00 0.00 0.00 175.10 173.93 1s7a s PRO 48 N -1.44 3.79 0.00 2.72 0.05 -1.26 0.19 135.00 139.04 1s7a s PRO 48 Ca 0.20 0.30 0.08 0.00 0.05 0.00 0.00 61.00 61.63 1s7a s PRO 48 Cb -0.12 -2.58 0.48 0.00 0.05 0.00 0.00 34.50 32.34 1s7a s PRO 48 CO 0.10 0.22 0.96 1.28 0.05 0.00 0.00 177.00 179.61 1s7a n LEU 49 N -0.52 0.00 0.05 -3.56 4.77 -0.95 -2.52 117.00 114.27 1s7a n LEU 49 Ca 0.01 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1s7a n LEU 49 Cb 0.53 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1s7a n LEU 49 CO 0.46 -0.02 0.71 -0.08 -1.33 0.00 0.00 177.39 177.13 1s7a h GLU 50 N 0.00 -0.09 -0.27 3.23 4.81 -1.92 0.93 114.58 121.27 1s7a h GLU 50 Ca 0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1s7a h GLU 50 Cb 0.01 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1s7a h GLU 50 CO 0.00 0.17 -0.11 0.82 -0.73 0.00 0.00 179.01 179.16 1s7a h ILE 51 N -0.36 1.22 0.08 2.32 5.03 -1.90 -0.06 117.51 123.84 1s7a h ILE 51 Ca -0.01 -0.95 -0.17 0.00 -0.12 0.00 0.00 64.86 63.61 1s7a h ILE 51 Cb 0.31 1.14 0.02 0.00 -3.03 0.00 0.00 36.82 35.26 1s7a h ILE 51 CO 0.02 0.31 -0.72 0.24 -0.68 0.00 0.00 178.15 177.31 1s7a h MET 52 N 0.41 0.34 -0.00 2.37 2.86 -1.59 -2.79 114.93 116.54 1s7a h MET 52 Ca 0.08 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1s7a h MET 52 Cb 0.45 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1s7a h MET 52 CO 0.03 1.18 -0.00 0.44 1.06 0.00 0.00 176.91 179.62 1s7a n ILE 53 N -4.17 0.00 0.35 -1.22 -6.64 0.32 -3.17 119.36 104.83 1s7a n ILE 53 Ca -0.12 -0.00 0.06 0.00 -1.77 0.00 0.00 62.75 60.92 1s7a n ILE 53 Cb 0.76 -0.49 -0.09 0.00 -1.44 0.00 0.00 39.64 38.39 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 -1.13 1.77 -2.31 6.28 -0.00 -0.04 -4.29 118.16 118.43 1s7a n LYS 54 Ca 0.19 -0.05 -0.39 0.00 -0.00 0.00 0.00 58.31 58.06 1s7a n LYS 54 Cb 0.18 -1.19 -0.02 0.00 -0.00 0.00 0.00 35.03 33.99 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 -2.51 3.13 0.37 5.58 0.40 -1.05 -4.77 117.98 119.12 1s7a s PHE 55 Ca 0.01 1.56 0.10 0.00 -0.60 0.00 0.00 56.93 58.00 1s7a s PHE 55 Cb 0.09 -3.40 0.71 0.00 0.51 0.00 0.00 43.02 40.94 1s7a s PHE 55 CO 0.54 -1.26 1.85 -0.97 0.70 0.00 0.00 175.22 176.08 1s7a h ASN 56 N 2.84 0.14 0.70 1.36 -1.24 -1.92 0.86 115.58 118.32 1s7a h ASN 56 Ca -0.48 -0.04 -0.03 0.00 0.71 0.00 0.00 56.30 56.46 1s7a h ASN 56 Cb 1.23 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 40.24 1s7a h ASN 56 CO 0.63 0.42 -0.12 0.08 -1.29 0.00 0.00 177.43 177.15 1s7a h ARG 57 N 0.13 0.00 0.00 6.67 0.11 -1.93 -2.90 114.38 116.46 1s7a h ARG 57 Ca 0.02 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.92 1s7a h ARG 57 Cb 0.55 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.60 1s7a h ARG 57 CO 0.04 0.12 -1.61 -0.11 0.10 0.00 0.00 179.97 178.51 1s7a n LEU 58 N -3.37 1.20 0.28 0.08 0.00 -0.90 -4.56 117.00 109.72 1s7a n LEU 58 Ca -0.01 0.10 0.18 0.00 0.00 0.00 0.00 56.01 56.28 1s7a n LEU 58 Cb 0.31 -0.33 0.91 0.00 0.00 0.00 0.00 43.42 44.31 1s7a n LEU 58 CO 0.30 0.31 1.15 -1.13 0.00 0.00 0.00 177.39 178.03 1s7a h ASN 59 N -0.32 0.00 0.00 1.96 -1.24 0.60 -1.50 115.58 115.08 1s7a h ASN 59 Ca -0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1s7a h ASN 59 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1s7a h ASN 59 CO -0.15 0.00 0.39 -0.09 -1.29 0.00 0.00 177.43 176.29 1s7a h ARG 60 N 0.00 0.00 0.00 6.67 2.43 -1.67 -3.39 114.38 118.43 1s7a h ARG 60 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1s7a h ARG 60 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1s7a h ARG 60 CO -0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 1s7a n LEU 61 N -2.62 0.00 -4.82 3.80 4.77 -0.56 -5.09 117.00 112.47 1s7a n LEU 61 Ca -0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 1s7a n LEU 61 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1s7a n LEU 61 CO 0.10 0.00 0.38 -0.89 -1.33 0.00 0.00 177.39 175.65 1s7a s THR 62 N 0.68 4.63 0.00 -5.08 2.01 -1.25 -4.95 115.64 111.67 1s7a s THR 62 Ca 0.00 1.18 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1s7a s THR 62 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1s7a s THR 62 CO 0.00 0.20 0.30 0.35 -0.69 0.00 0.00 174.62 174.77 1s7a n THR 63 N 0.69 0.00 -2.75 -0.82 -2.24 -1.26 -4.33 114.28 103.57 1s7a n THR 63 Ca -0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1s7a n THR 63 Cb 0.51 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.00 6.18 0.28 3.42 1.01 -1.26 -4.88 116.67 121.42 1s7a s ASP 64 Ca 0.00 -0.82 0.14 0.00 0.71 0.00 0.00 52.55 52.58 1s7a s ASP 64 Cb 0.00 -2.47 0.97 0.00 1.01 0.00 0.00 42.92 42.43 1s7a s ASP 64 CO 0.00 -1.58 1.23 0.49 0.21 0.00 0.00 175.17 175.52 1s7a n PHE 65 N 8.30 0.84 -0.07 4.23 3.72 -1.26 0.17 117.46 133.39 1s7a n PHE 65 Ca -0.01 0.93 -0.15 0.00 -0.05 0.00 0.00 57.45 58.16 1s7a n PHE 65 Cb 0.47 -1.30 -0.05 0.00 -0.94 0.00 0.00 39.48 37.66 1s7a n PHE 65 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1s7a h ASN 66 N 0.00 0.96 0.01 4.37 -1.24 -1.90 -2.03 115.58 115.76 1s7a h ASN 66 Ca 0.63 -0.55 -0.15 0.00 0.71 0.00 0.00 56.30 56.94 1s7a h ASN 66 Cb 1.61 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.38 1s7a h ASN 66 CO -0.63 1.33 -0.51 0.58 -1.29 0.00 0.00 177.43 176.92 1s7a h VAL 67 N 0.64 1.32 -0.02 2.57 2.07 0.14 -2.23 116.25 120.74 1s7a h VAL 67 Ca 0.01 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 1s7a h VAL 67 Cb 1.18 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1s7a h VAL 67 CO 0.13 0.54 -0.10 0.16 0.02 0.00 0.00 177.57 178.31 1s7a h ILE 68 N 0.43 1.52 -0.58 4.57 3.07 -1.12 -2.99 117.51 122.41 1s7a h ILE 68 Ca 0.02 -1.69 0.06 0.00 1.55 0.00 0.00 64.86 64.79 1s7a h ILE 68 Cb 1.04 2.60 -0.05 0.00 -0.27 0.00 0.00 36.82 40.14 1s7a h ILE 68 CO 0.10 0.45 0.30 -0.37 -1.05 0.00 0.00 178.15 177.58 1s7a h VAL 69 N -0.55 0.94 -0.30 0.16 -1.51 -1.42 0.46 116.25 114.03 1s7a h VAL 69 Ca -0.01 -0.19 0.04 0.00 -1.23 0.00 0.00 66.70 65.31 1s7a h VAL 69 Cb 0.79 0.32 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 1s7a h VAL 69 CO 0.02 0.10 0.20 -0.08 -1.23 0.00 0.00 177.57 176.59 1s7a h GLU 70 N 0.57 0.21 -0.23 5.19 4.22 -1.45 0.31 114.58 123.39 1s7a h GLU 70 Ca 0.26 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.63 1s7a h GLU 70 Cb 0.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1s7a h GLU 70 CO -0.18 0.14 -0.11 0.00 -2.18 0.00 0.00 179.01 176.68 1s7a h ALA 71 N 1.84 0.33 -0.10 2.92 0.00 -0.77 -3.04 119.26 120.43 1s7a h ALA 71 Ca 0.13 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.53 1s7a h ALA 71 Cb 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s7a h ALA 71 CO -0.02 0.17 -0.81 -0.07 0.00 0.00 0.00 179.25 178.52 1s7a h LEU 72 N 0.20 0.75 -2.47 0.00 3.38 -0.64 -2.60 115.31 113.93 1s7a h LEU 72 Ca 0.05 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1s7a h LEU 72 Cb 0.60 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1s7a h LEU 72 CO 0.03 1.29 0.09 0.77 0.09 0.00 0.00 178.44 180.72 1s7a h SER 73 N 0.41 0.00 0.00 -0.43 4.64 -0.42 -1.24 113.55 116.51 1s7a h SER 73 Ca -0.06 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1s7a h SER 73 Cb 1.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 1s7a h SER 73 CO 0.15 0.00 -1.90 1.17 -0.87 0.00 0.00 176.83 175.39 1s7a n LYS 74 N -2.88 0.67 -1.13 4.77 4.81 -1.14 -4.99 118.16 118.25 1s7a n LYS 74 Ca -0.02 -0.14 -0.34 0.00 -0.87 0.00 0.00 58.31 56.93 1s7a n LYS 74 Cb 0.15 -1.44 0.11 0.00 0.02 0.00 0.00 35.03 33.87 1s7a n LYS 74 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1s7a n SER 75 N -2.22 -0.12 0.00 3.14 2.88 -0.47 -4.94 113.62 111.89 1s7a n SER 75 Ca -0.07 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1s7a n SER 75 Cb 0.58 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1s7a n SER 75 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1s7a n LYS 76 N -2.17 1.83 -0.33 -1.46 5.02 -1.26 -4.68 118.16 115.11 1s7a n LYS 76 Ca 0.11 -1.12 0.04 0.00 -2.02 0.00 0.00 58.31 55.33 1s7a n LYS 76 Cb 0.51 -0.85 0.18 0.00 -0.02 0.00 0.00 35.03 34.85 1s7a n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s7a n ALA 77 N -0.32 2.86 -0.85 7.82 0.00 -1.26 -4.95 120.51 123.81 1s7a n ALA 77 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1s7a n ALA 77 Cb 0.30 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.41 0.00 -3.43 0.00 1.02 -1.26 -4.81 120.64 112.58 1s7a n GLU 78 Ca 0.13 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.13 1s7a n GLU 78 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.96 1s7a n GLU 78 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1s7a n LEU 79 N 0.00 -4.38 0.00 -4.62 0.00 -1.26 -4.64 117.00 102.10 1s7a n LEU 79 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 56.01 55.51 1s7a n LEU 79 Cb 0.00 -2.55 -0.01 0.00 0.00 0.00 0.00 43.42 40.86 1s7a n LEU 79 CO 0.00 -0.32 -0.07 0.23 0.00 0.00 0.00 177.39 177.24 1s7a n MET 80 N -2.44 -0.72 -4.29 1.96 2.81 -1.26 -4.94 117.12 108.24 1s7a n MET 80 Ca -0.14 0.48 -0.16 0.00 -1.81 0.00 0.00 57.70 56.07 1s7a n MET 80 Cb 0.59 -0.88 -0.10 0.00 -0.71 0.00 0.00 33.22 32.11 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 -0.61 1.20 0.03 0.03 0.41 -1.18 -4.98 118.70 113.59 1s7a s GLU 81 Ca 0.00 -1.56 0.08 0.00 -0.41 0.00 0.00 54.97 53.08 1s7a s GLU 81 Cb 0.00 -0.68 -0.02 0.00 -1.78 0.00 0.00 34.13 31.65 1s7a s GLU 81 CO 0.00 0.02 -0.23 0.42 -0.49 0.00 0.00 175.26 174.98 1s7a s ILE 82 N -3.32 1.81 0.92 -1.63 1.01 -1.26 -2.51 121.20 116.22 1s7a s ILE 82 Ca 0.22 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 1s7a s ILE 82 Cb 0.03 -1.54 0.15 0.00 0.01 0.00 0.00 42.46 41.11 1s7a s ILE 82 CO 0.04 0.33 0.32 -1.54 0.00 0.00 0.00 174.94 174.09 1s7a n SER 83 N 2.02 -2.91 0.07 3.58 3.41 -1.21 -4.81 113.62 113.77 1s7a n SER 83 Ca -0.17 -0.35 0.13 0.00 -0.26 0.00 0.00 58.87 58.22 1s7a n SER 83 Cb 0.53 -0.72 0.42 0.00 -0.26 0.00 0.00 64.21 64.18 1s7a n SER 83 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s7a n GLU 84 N -1.23 0.19 0.03 4.33 1.02 -1.26 -3.25 120.64 120.47 1s7a n GLU 84 Ca 0.05 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 1s7a n GLU 84 Cb 0.27 -1.71 0.16 0.00 -0.02 0.00 0.00 31.44 30.15 1s7a n GLU 84 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s7a n ASP 85 N -2.03 0.61 -2.39 1.62 9.92 -1.26 -4.99 116.55 118.03 1s7a n ASP 85 Ca 0.06 -0.13 -0.07 0.00 -0.53 0.00 0.00 54.79 54.12 1s7a n ASP 85 Cb 0.41 0.36 0.03 0.00 -0.64 0.00 0.00 41.12 41.28 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 -1.83 -1.11 -0.49 -1.24 5.02 -1.20 -4.97 118.16 112.35 1s7a n LYS 86 Ca 0.04 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1s7a n LYS 86 Cb 0.40 -3.72 0.00 0.00 -0.02 0.00 0.00 35.03 31.68 1s7a n LYS 86 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1s7a n THR 87 N -2.29 0.00 -3.47 -0.18 5.66 -1.26 -4.80 114.28 107.93 1s7a n THR 87 Ca -0.03 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.83 1s7a n THR 87 Cb 0.56 0.07 -0.03 0.00 -1.55 0.00 0.00 70.33 69.37 1s7a n THR 87 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1s7a s LYS 88 N 0.00 1.13 0.10 1.09 -2.85 -1.26 -2.24 119.74 115.70 1s7a s LYS 88 Ca 0.00 -0.18 0.04 0.00 -1.00 0.00 0.00 55.97 54.83 1s7a s LYS 88 Cb 0.00 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 1s7a s LYS 88 CO 0.00 -0.45 -0.10 0.96 0.10 0.00 0.00 175.35 175.87 1s7a s ILE 89 N -2.70 0.92 0.08 3.79 -4.36 0.49 -3.35 121.20 116.07 1s7a s ILE 89 Ca -0.03 -1.64 -0.14 0.00 -0.26 0.00 0.00 60.65 58.58 1s7a s ILE 89 Cb -0.01 -1.36 0.02 0.00 1.25 0.00 0.00 42.46 42.37 1s7a s ILE 89 CO -0.04 -0.57 0.31 0.00 0.24 0.00 0.00 174.94 174.88 1s7a s ARG 90 N -2.82 0.90 -0.11 0.37 1.04 -1.04 -0.26 118.95 117.03 1s7a s ARG 90 Ca 0.05 -0.66 -0.11 0.00 -1.04 0.00 0.00 55.73 53.98 1s7a s ARG 90 Cb -0.03 0.39 -0.05 0.00 -2.04 0.00 0.00 34.95 33.23 1s7a s ARG 90 CO -0.00 -0.31 0.23 0.50 -0.04 0.00 0.00 175.30 175.68 1s7a s ARG 91 N -3.22 3.83 -0.34 3.89 3.00 -1.26 -3.11 118.95 121.73 1s7a s ARG 91 Ca -0.00 0.02 -0.28 0.00 -1.00 0.00 0.00 55.73 54.47 1s7a s ARG 91 Cb 0.01 -3.28 -0.03 0.00 0.00 0.00 0.00 34.95 31.65 1s7a s ARG 91 CO -0.08 0.57 1.95 0.45 0.00 0.00 0.00 175.30 178.19 1s7a s SER 92 N -0.52 5.63 0.61 -2.12 0.15 -1.26 -4.79 113.70 111.40 1s7a s SER 92 Ca 0.16 1.34 0.38 0.00 0.70 0.00 0.00 55.95 58.53 1s7a s SER 92 Cb -0.13 -2.52 1.91 0.00 -1.71 0.00 0.00 66.02 63.56 1s7a s SER 92 CO 0.05 -1.91 2.19 1.55 1.20 0.00 0.00 173.24 176.32 1s7a h PRO 93 N 14.06 0.00 -0.07 5.44 0.13 -1.99 -0.04 132.00 149.53 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1s7a h PRO 93 CO 1.04 0.02 0.00 0.43 -0.23 0.00 0.00 178.00 179.26 1s7a n SER 94 N -3.18 1.23 -4.33 1.44 7.64 -1.26 -4.81 113.62 110.36 1s7a n SER 94 Ca -0.02 -1.52 -0.32 0.00 1.01 0.00 0.00 58.87 58.03 1s7a n SER 94 Cb 0.18 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.18 1s7a n SER 94 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1s7a s LYS 95 N -1.91 2.42 0.52 1.43 -2.85 -0.03 -5.11 119.74 114.20 1s7a s LYS 95 Ca 0.36 -0.86 -0.21 0.00 -1.00 0.00 0.00 55.97 54.26 1s7a s LYS 95 Cb 0.19 -2.18 -0.06 0.00 -2.06 0.00 0.00 37.83 33.71 1s7a s LYS 95 CO 0.29 0.49 1.14 -1.25 0.10 0.00 0.00 175.35 176.13 1s7a s PRO 96 N -0.42 3.47 -0.20 1.78 0.04 -1.26 -4.84 135.00 133.58 1s7a s PRO 96 Ca 0.04 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1s7a s PRO 96 Cb -0.12 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.33 1s7a s PRO 96 CO 0.01 -0.76 -0.13 -0.48 0.04 0.00 0.00 177.00 175.68 1s7a s LEU 97 N -3.56 2.37 0.33 -3.56 0.05 -1.26 -5.09 118.68 107.96 1s7a s LEU 97 Ca 0.70 -0.87 -0.04 0.00 0.05 0.00 0.00 54.13 53.97 1s7a s LEU 97 Cb -0.26 -1.34 -0.05 0.00 -2.05 0.00 0.00 46.19 42.50 1s7a s LEU 97 CO 0.29 -0.11 0.59 -2.16 -0.55 0.00 0.00 176.35 174.42 1s7a s PRO 98 N 1.33 3.59 0.09 1.48 0.04 -1.26 -4.92 135.00 135.35 1s7a s PRO 98 Ca -0.00 -0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.08 1s7a s PRO 98 Cb -0.16 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 1s7a s PRO 98 CO -0.09 0.14 -0.16 -2.00 0.04 0.00 0.00 177.00 174.93 1s7a s GLU 99 N -3.88 1.94 0.19 4.56 2.12 -1.26 -4.37 118.70 117.99 1s7a s GLU 99 Ca 0.44 -1.09 -0.15 0.00 0.36 0.00 0.00 54.97 54.53 1s7a s GLU 99 Cb -0.10 -2.18 -0.07 0.00 0.26 0.00 0.00 34.13 32.04 1s7a s GLU 99 CO 0.33 0.50 0.60 0.14 -0.54 0.00 0.00 175.26 176.29 1s7a s VAL 100 N -1.10 4.79 -0.19 3.70 -7.23 -1.26 -5.07 120.40 114.05 1s7a s VAL 100 Ca 0.18 0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 61.16 1s7a s VAL 100 Cb -0.11 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 1s7a s VAL 100 CO 0.09 0.16 0.05 0.42 -0.31 0.00 0.00 175.10 175.51 1s7a s THR 101 N -1.57 4.53 -0.37 5.32 -4.23 -1.26 -5.07 115.64 112.99 1s7a s THR 101 Ca 0.41 -0.12 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 1s7a s THR 101 Cb -0.14 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1s7a s THR 101 CO 0.20 0.44 0.41 -0.62 -0.54 0.00 0.00 174.62 174.51 1s7a s ASP 102 N 0.62 6.20 0.00 3.99 -1.08 -1.26 -5.33 116.67 119.82 1s7a s ASP 102 Ca 0.02 -0.36 0.00 0.00 -0.52 0.00 0.00 52.55 51.70 1s7a s ASP 102 Cb -0.13 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1s7a s ASP 102 CO 0.02 -0.45 0.35 -0.62 0.52 0.00 0.00 175.17 174.99