#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 -0.62 -0.80 3.17 0.00 -1.26 -4.53 120.51 116.47 1s7a n ALA 2 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1s7a n ALA 2 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1s7a n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s7a n GLU 3 N -2.19 0.00 -2.24 0.00 1.02 -1.26 -4.62 120.64 111.35 1s7a n GLU 3 Ca -0.06 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.69 1s7a n GLU 3 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 1s7a n GLU 3 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1s7a s ASN 4 N -4.00 6.52 -0.10 1.62 2.47 -1.26 -5.03 114.94 115.16 1s7a s ASN 4 Ca 0.00 2.43 -0.01 0.00 0.42 0.00 0.00 52.86 55.69 1s7a s ASN 4 Cb 0.00 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.21 1s7a s ASN 4 CO 0.00 -0.69 -0.00 -0.83 -3.72 0.00 0.00 177.10 171.86 1s7a s GLY 5 N -1.00 0.58 0.00 1.21 0.00 -1.26 -5.08 107.32 101.76 1s7a s GLY 5 Ca 0.56 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1s7a s GLY 5 CO 0.42 1.14 0.00 1.34 0.00 0.00 0.00 173.10 176.00 1s7a n ASP 6 N 5.09 0.00 -3.88 1.64 -0.08 -1.26 -4.31 116.55 113.76 1s7a n ASP 6 Ca -0.08 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.90 1s7a n ASP 6 Cb 0.49 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.80 1s7a n ASP 6 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1s7a s ASN 7 N -4.00 3.63 0.20 1.67 2.47 -1.26 -4.99 114.94 112.66 1s7a s ASN 7 Ca 0.00 -1.13 0.03 0.00 0.42 0.00 0.00 52.86 52.18 1s7a s ASN 7 Cb 0.00 -1.02 0.11 0.00 -1.45 0.00 0.00 41.25 38.89 1s7a s ASN 7 CO 0.00 -0.27 1.46 -0.08 -3.72 0.00 0.00 177.10 174.50 1s7a h GLU 8 N 8.03 0.23 -0.16 0.43 4.81 -2.00 -2.81 114.58 123.12 1s7a h GLU 8 Ca -0.17 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1s7a h GLU 8 Cb 1.08 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1s7a h GLU 8 CO 0.40 0.87 -0.17 0.87 -0.73 0.00 0.00 179.01 180.25 1s7a h LYS 9 N 0.15 -0.19 -0.24 1.92 1.57 -1.97 0.26 116.57 118.07 1s7a h LYS 9 Ca -0.03 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1s7a h LYS 9 Cb 1.32 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1s7a h LYS 9 CO 0.12 -0.13 -0.45 0.00 -0.57 0.00 0.00 179.45 178.42 1s7a h MET 10 N -0.20 0.61 -0.56 3.15 -0.00 -1.99 -2.03 114.93 113.92 1s7a h MET 10 Ca 0.11 -0.34 0.03 0.00 -0.00 0.00 0.00 59.70 59.50 1s7a h MET 10 Cb 0.35 0.02 -0.04 0.00 -0.00 0.00 0.00 31.60 31.93 1s7a h MET 10 CO -0.27 0.94 0.33 0.00 -0.00 0.00 0.00 176.91 177.91 1s7a h ALA 11 N 1.01 0.72 -0.09 -3.00 0.00 -1.11 -0.73 119.26 116.05 1s7a h ALA 11 Ca 0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1s7a h ALA 11 Cb 0.98 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1s7a h ALA 11 CO 0.09 0.05 -0.55 0.00 0.00 0.00 0.00 179.25 178.84 1s7a h ALA 12 N 1.25 0.91 -0.43 0.00 0.00 -0.89 -3.00 119.26 117.10 1s7a h ALA 12 Ca 0.23 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1s7a h ALA 12 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1s7a h ALA 12 CO -0.10 0.69 -0.00 1.25 0.00 0.00 0.00 179.25 181.08 1s7a h LEU 13 N 0.20 0.67 -0.35 0.00 5.85 -0.58 0.31 115.31 121.42 1s7a h LEU 13 Ca 0.00 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1s7a h LEU 13 Cb 1.03 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1s7a h LEU 13 CO 0.09 0.75 0.21 -0.08 -0.34 0.00 0.00 178.44 179.07 1s7a h GLU 14 N 0.66 0.47 -0.08 1.25 4.22 -1.02 -1.74 114.58 118.35 1s7a h GLU 14 Ca 0.13 -0.04 -0.23 0.00 0.08 0.00 0.00 59.36 59.30 1s7a h GLU 14 Cb 0.42 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1s7a h GLU 14 CO 0.02 0.35 -0.87 0.00 -2.18 0.00 0.00 179.01 176.33 1s7a h ALA 15 N 1.09 0.32 -0.90 2.92 0.00 -1.51 -2.48 119.26 118.71 1s7a h ALA 15 Ca 0.13 -0.64 0.05 0.00 0.00 0.00 0.00 54.91 54.44 1s7a h ALA 15 Cb 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1s7a h ALA 15 CO -0.02 0.72 0.57 -0.22 0.00 0.00 0.00 179.25 180.29 1s7a h LYS 16 N 0.41 1.04 -0.13 0.00 3.11 -0.76 0.73 116.57 120.98 1s7a h LYS 16 Ca -0.07 -0.06 -0.18 0.00 -2.81 0.00 0.00 60.65 57.52 1s7a h LYS 16 Cb 1.50 -0.23 0.01 0.00 -1.00 0.00 0.00 32.23 32.50 1s7a h LYS 16 CO 0.17 0.69 -0.61 0.82 -2.81 0.00 0.00 179.45 177.70 1s7a h ILE 17 N 1.07 1.32 -0.66 2.00 2.04 -1.33 -3.07 117.51 118.88 1s7a h ILE 17 Ca 0.37 -1.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 1s7a h ILE 17 Cb 0.10 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1s7a h ILE 17 CO -0.15 0.58 0.37 0.00 0.00 0.00 0.00 178.15 178.96 1s7a h HIS 19 N 0.90 0.81 -0.13 0.00 3.86 -0.88 -1.00 115.15 118.71 1s7a h HIS 19 Ca 0.23 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1s7a h HIS 19 Cb 0.02 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1s7a h HIS 19 CO -0.01 0.44 0.05 1.96 0.86 0.00 0.00 177.93 181.24 1s7a h GLN 20 N 0.82 0.20 -0.67 2.45 1.08 -1.30 -1.81 115.11 115.88 1s7a h GLN 20 Ca 0.31 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.53 1s7a h GLN 20 Cb 0.19 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 1s7a h GLN 20 CO -0.10 0.29 0.44 0.82 -0.95 0.00 0.00 178.83 179.33 1s7a h ILE 21 N 0.06 1.03 -0.48 2.54 1.08 -1.09 0.82 117.51 121.47 1s7a h ILE 21 Ca 0.04 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1s7a h ILE 21 Cb 0.17 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1s7a h ILE 21 CO -0.00 0.13 0.31 -0.08 -0.69 0.00 0.00 178.15 177.82 1s7a h GLU 22 N 0.71 0.64 -0.43 2.37 4.81 -0.40 -1.01 114.58 121.27 1s7a h GLU 22 Ca 0.28 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1s7a h GLU 22 Cb 0.21 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1s7a h GLU 22 CO -0.09 0.43 0.19 -0.92 -0.73 0.00 0.00 179.01 177.90 1s7a h TYR 23 N 0.66 0.64 0.10 0.92 3.20 -0.15 3.91 116.97 126.24 1s7a h TYR 23 Ca 0.18 -0.04 -0.29 0.00 3.14 0.00 0.00 58.73 61.71 1s7a h TYR 23 Cb -0.06 -0.20 0.03 0.00 1.54 0.00 0.00 36.73 38.04 1s7a h TYR 23 CO 0.00 0.54 -1.21 1.88 -1.64 0.00 0.00 178.16 177.73 1s7a h TYR 24 N 0.56 1.02 0.00 -3.82 0.05 -1.42 -3.27 116.97 110.09 1s7a h TYR 24 Ca 0.15 -0.63 -0.08 0.00 0.05 0.00 0.00 58.73 58.22 1s7a h TYR 24 Cb 0.16 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1s7a h TYR 24 CO -0.00 1.47 -1.43 1.19 -1.05 0.00 0.00 178.16 178.33 1s7a n PHE 25 N -3.80 0.72 0.00 4.88 3.72 -0.41 -2.74 117.46 119.82 1s7a n PHE 25 Ca -0.13 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1s7a n PHE 25 Cb 0.97 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.31 0.47 4.68 1.37 0.00 1.29 -4.36 105.19 109.94 1s7a n GLY 26 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1s7a n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s7a n ASP 27 N 2.02 0.00 -0.06 1.61 8.00 -1.26 -4.63 116.55 122.23 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 -1.13 -0.13 0.00 -0.02 0.00 0.00 41.12 39.84 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 0.06 0.06 1.24 3.57 -1.79 -3.34 116.94 116.73 1s7a h PHE 28 Ca 0.00 -0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.22 1s7a h PHE 28 Cb 0.00 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1s7a h PHE 28 CO 0.00 1.06 -1.07 -0.91 -2.23 0.00 0.00 178.31 175.16 1s7a h ASN 29 N -0.93 0.38 -0.75 0.41 -0.26 -1.59 -3.33 115.58 109.51 1s7a h ASN 29 Ca -0.03 -0.36 0.05 0.00 -0.56 0.00 0.00 56.30 55.40 1s7a h ASN 29 Cb 1.08 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 38.18 1s7a h ASN 29 CO 0.01 1.22 0.50 -0.07 -1.06 0.00 0.00 177.43 178.02 1s7a h LEU 30 N 0.12 0.74 -2.57 1.61 3.38 -1.69 3.27 115.31 120.17 1s7a h LEU 30 Ca -0.09 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1s7a h LEU 30 Cb 1.75 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1s7a h LEU 30 CO 0.17 0.49 0.09 -0.65 0.09 0.00 0.00 178.44 178.63 1s7a h PRO 31 N 0.84 0.00 0.00 1.13 0.11 -1.69 -3.22 132.00 129.18 1s7a h PRO 31 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1s7a h PRO 31 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1s7a h PRO 31 CO -0.10 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 175.56 1s7a n ARG 32 N -3.39 0.00 -1.63 1.05 0.63 -0.61 -4.96 116.66 107.75 1s7a n ARG 32 Ca -0.02 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.52 1s7a n ARG 32 Cb 0.17 -0.23 -0.03 0.00 0.45 0.00 0.00 32.46 32.82 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 4.96 0.01 6.15 1.11 1.08 -4.82 116.67 125.16 1s7a s ASP 33 Ca 0.00 1.38 -0.21 0.00 0.18 0.00 0.00 52.55 53.90 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 -2.43 1.16 0.11 1.18 0.00 0.00 175.17 175.19 1s7a h LYS 34 N 17.21 0.37 -0.42 8.23 1.79 -1.91 -2.01 116.57 139.82 1s7a h LYS 34 Ca -0.31 -0.33 -0.08 0.00 -2.18 0.00 0.00 60.65 57.75 1s7a h LYS 34 Cb 1.25 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 1s7a h LYS 34 CO 1.08 0.98 -0.04 0.27 -1.08 0.00 0.00 179.45 180.65 1s7a h PHE 35 N -0.13 0.86 -0.37 -1.35 -5.15 -1.98 -2.68 116.94 106.14 1s7a h PHE 35 Ca -0.04 -0.17 -0.05 0.00 -0.20 0.00 0.00 57.97 57.52 1s7a h PHE 35 Cb 1.08 -0.22 -0.02 0.00 0.22 0.00 0.00 35.95 37.02 1s7a h PHE 35 CO 0.14 0.86 0.01 1.25 -2.00 0.00 0.00 178.31 178.57 1s7a h LEU 36 N 0.61 0.55 -1.63 2.10 7.12 -1.95 -1.66 115.31 120.44 1s7a h LEU 36 Ca 0.11 -0.10 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 1s7a h LEU 36 Cb 0.55 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 1s7a h LEU 36 CO 0.03 0.61 -0.20 0.50 -0.13 0.00 0.00 178.44 179.25 1s7a h LYS 37 N 0.56 0.00 -0.14 1.25 3.11 -1.07 0.10 116.57 120.39 1s7a h LYS 37 Ca 0.12 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.91 1s7a h LYS 37 Cb 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.56 1s7a h LYS 37 CO 0.01 0.20 -0.10 0.93 -2.81 0.00 0.00 179.45 177.67 1s7a h GLU 38 N 0.00 0.31 -0.16 1.90 4.39 -0.98 -1.46 114.58 118.58 1s7a h GLU 38 Ca -0.00 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 1s7a h GLU 38 Cb 0.36 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1s7a h GLU 38 CO 0.03 0.68 -0.30 1.96 -1.16 0.00 0.00 179.01 180.21 1s7a h GLN 39 N -0.06 0.48 -0.91 2.33 7.50 -1.32 0.22 115.11 123.36 1s7a h GLN 39 Ca 0.03 -0.31 0.06 0.00 0.50 0.00 0.00 58.65 58.93 1s7a h GLN 39 Cb 0.61 0.04 -0.06 0.00 0.05 0.00 0.00 27.48 28.12 1s7a h GLN 39 CO 0.03 0.91 0.59 0.97 -1.50 0.00 0.00 178.83 179.83 1s7a h ILE 40 N 0.11 1.08 0.00 2.54 6.09 -0.85 -1.09 117.51 125.40 1s7a h ILE 40 Ca 0.01 -0.36 -0.20 0.00 -1.37 0.00 0.00 64.86 62.94 1s7a h ILE 40 Cb 0.89 -0.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.10 1s7a h ILE 40 CO 0.07 0.19 -0.94 0.50 -3.07 0.00 0.00 178.15 174.90 1s7a h LYS 41 N 1.05 0.00 -0.04 2.19 3.64 -1.18 -2.44 116.57 119.78 1s7a h LYS 41 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1s7a h LYS 41 Cb 0.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1s7a h LYS 41 CO -0.14 0.91 -0.03 -0.11 -2.27 0.00 0.00 179.45 177.82 1s7a n LEU 42 N -3.32 -0.05 -3.15 5.20 7.94 0.75 -4.31 117.00 120.06 1s7a n LEU 42 Ca -0.00 0.20 0.05 0.00 -1.11 0.00 0.00 56.01 55.15 1s7a n LEU 42 Cb 0.91 -0.07 -0.00 0.00 0.53 0.00 0.00 43.42 44.79 1s7a n LEU 42 CO 0.46 -0.12 0.33 -0.62 -1.11 0.00 0.00 177.39 176.32 1s7a s ASP 43 N -3.56 -1.00 0.00 1.96 -1.08 -1.26 -4.93 116.67 106.80 1s7a s ASP 43 Ca -0.01 0.23 0.00 0.00 -0.52 0.00 0.00 52.55 52.26 1s7a s ASP 43 Cb 0.00 1.68 0.00 0.00 -1.46 0.00 0.00 42.92 43.14 1s7a s ASP 43 CO 0.03 -0.18 0.00 1.21 0.52 0.00 0.00 175.17 176.74 1s7a n GLU 44 N 5.31 -0.03 -1.47 4.34 0.00 -1.26 -3.75 120.64 123.79 1s7a n GLU 44 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1s7a n GLU 44 Cb 0.55 -2.91 0.00 0.00 0.00 0.00 0.00 31.44 29.08 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 -2.02 0.67 2.68 8.31 0.00 -0.92 -5.06 105.19 108.85 1s7a n GLY 45 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.98 -0.06 -0.11 1.61 0.23 -1.25 -4.62 118.94 111.76 1s7a s TRP 46 Ca 0.00 -0.08 -0.05 0.00 -2.03 0.00 0.00 56.10 53.93 1s7a s TRP 46 Cb 0.00 -0.53 -0.04 0.00 0.03 0.00 0.00 33.47 32.93 1s7a s TRP 46 CO 0.00 -0.60 0.09 0.08 0.96 0.00 0.00 176.95 177.49 1s7a s VAL 47 N 2.24 5.08 0.18 4.03 1.01 -0.38 -4.73 120.40 127.83 1s7a s VAL 47 Ca 0.05 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 1s7a s VAL 47 Cb -0.16 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 1s7a s VAL 47 CO -0.13 0.61 0.58 -2.16 0.00 0.00 0.00 175.10 174.00 1s7a s PRO 48 N -0.94 4.00 0.00 2.72 0.04 -1.26 0.18 135.00 139.74 1s7a s PRO 48 Ca 0.14 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1s7a s PRO 48 Cb -0.12 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1s7a s PRO 48 CO 0.03 0.43 0.46 1.28 0.04 0.00 0.00 177.00 179.25 1s7a n LEU 49 N 0.63 0.00 -0.17 -3.56 4.32 -1.26 -1.61 117.00 115.36 1s7a n LEU 49 Ca -0.04 0.02 -0.09 0.00 -0.02 0.00 0.00 56.01 55.88 1s7a n LEU 49 Cb 0.52 -0.02 0.01 0.00 -1.62 0.00 0.00 43.42 42.30 1s7a n LEU 49 CO 0.43 -0.02 0.85 1.05 -1.22 0.00 0.00 177.39 178.48 1s7a h GLU 50 N 0.00 0.83 -0.77 3.23 4.11 -1.91 2.27 114.58 122.33 1s7a h GLU 50 Ca 0.00 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 1s7a h GLU 50 Cb 0.00 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1s7a h GLU 50 CO 0.00 0.83 0.45 0.82 0.07 0.00 0.00 179.01 181.18 1s7a h ILE 51 N 0.70 1.22 0.10 -1.06 1.08 -1.70 -1.72 117.51 116.13 1s7a h ILE 51 Ca 0.15 -0.50 -0.25 0.00 -0.39 0.00 0.00 64.86 63.87 1s7a h ILE 51 Cb 0.41 0.16 0.03 0.00 -3.07 0.00 0.00 36.82 34.35 1s7a h ILE 51 CO 0.01 0.23 -1.05 0.24 -0.69 0.00 0.00 178.15 176.89 1s7a h MET 52 N 1.05 0.53 -0.76 2.37 2.86 -1.57 -2.73 114.93 116.68 1s7a h MET 52 Ca 0.27 -0.71 -0.02 0.00 -2.06 0.00 0.00 59.70 57.18 1s7a h MET 52 Cb -0.02 0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1s7a h MET 52 CO -0.05 1.31 0.39 0.82 1.06 0.00 0.00 176.91 180.44 1s7a h ILE 53 N 0.09 1.23 0.00 -1.22 5.03 0.40 -2.37 117.51 120.67 1s7a h ILE 53 Ca -0.16 -0.61 0.00 0.00 -0.12 0.00 0.00 64.86 63.97 1s7a h ILE 53 Cb 1.76 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 35.77 1s7a h ILE 53 CO 0.20 0.27 -0.56 2.29 -0.68 0.00 0.00 178.15 179.66 1s7a n LYS 54 N -4.34 0.24 -2.23 2.37 -0.00 -0.66 -4.41 118.16 109.13 1s7a n LYS 54 Ca 0.08 0.08 -0.42 0.00 -0.00 0.00 0.00 58.31 58.04 1s7a n LYS 54 Cb 0.12 -1.66 -0.03 0.00 -0.00 0.00 0.00 35.03 33.46 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 -3.14 2.81 0.51 5.58 0.08 -0.89 -4.87 117.98 118.05 1s7a s PHE 55 Ca 0.07 0.80 0.36 0.00 0.12 0.00 0.00 56.93 58.29 1s7a s PHE 55 Cb 0.14 -3.66 1.93 0.00 -0.57 0.00 0.00 43.02 40.85 1s7a s PHE 55 CO 0.71 -2.46 2.22 -0.97 -0.10 0.00 0.00 175.22 174.62 1s7a h ASN 56 N 7.94 0.00 -0.64 1.36 -0.73 -1.88 0.66 115.58 122.29 1s7a h ASN 56 Ca -0.37 0.00 0.02 0.00 1.87 0.00 0.00 56.30 57.82 1s7a h ASN 56 Cb 1.17 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.73 1s7a h ASN 56 CO 0.91 0.03 0.41 0.03 -0.37 0.00 0.00 177.43 178.44 1s7a h ARG 57 N 0.00 0.79 0.00 6.67 2.47 -1.90 -3.07 114.38 119.35 1s7a h ARG 57 Ca -0.00 -0.05 -0.20 0.00 -1.26 0.00 0.00 59.98 58.48 1s7a h ARG 57 Cb 0.16 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.26 1s7a h ARG 57 CO 0.00 0.52 -1.74 -0.11 0.56 0.00 0.00 179.97 179.21 1s7a n LEU 58 N -4.68 0.12 0.27 3.04 7.94 -0.97 -4.45 117.00 118.28 1s7a n LEU 58 Ca 0.06 -0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.13 1s7a n LEU 58 Cb 0.05 0.23 0.90 0.00 0.53 0.00 0.00 43.42 45.14 1s7a n LEU 58 CO 0.34 0.28 1.15 -1.13 -1.11 0.00 0.00 177.39 176.93 1s7a h ASN 59 N 0.00 0.00 0.00 1.96 -1.24 0.26 0.41 115.58 116.97 1s7a h ASN 59 Ca -0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.72 1s7a h ASN 59 Cb 1.65 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.70 1s7a h ASN 59 CO 0.01 0.00 0.02 -0.09 -1.29 0.00 0.00 177.43 176.09 1s7a h ARG 60 N 0.00 0.00 0.00 6.67 9.65 -1.73 -3.29 114.38 125.68 1s7a h ARG 60 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1s7a h ARG 60 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1s7a h ARG 60 CO -0.00 0.00 0.00 -0.11 2.80 0.00 0.00 179.97 182.66 1s7a n LEU 61 N -2.30 0.00 -3.81 3.80 7.94 0.13 -5.09 117.00 117.66 1s7a n LEU 61 Ca -0.02 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.77 1s7a n LEU 61 Cb 0.06 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.59 1s7a n LEU 61 CO 0.10 -0.42 -0.06 0.28 -1.11 0.00 0.00 177.39 176.18 1s7a s THR 62 N -0.85 0.09 0.00 1.96 -1.32 -1.24 -5.04 115.64 109.24 1s7a s THR 62 Ca 0.00 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 1s7a s THR 62 Cb 0.00 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1s7a s THR 62 CO 0.00 -0.41 0.24 0.35 -2.21 0.00 0.00 174.62 172.59 1s7a n THR 63 N 0.86 0.00 -1.67 5.08 -2.24 -1.26 -4.53 114.28 110.52 1s7a n THR 63 Ca -0.20 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 60.87 1s7a n THR 63 Cb 0.58 1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 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 4.86 0.35 3.42 1.01 -1.26 -4.80 116.67 120.08 1s7a s ASP 64 Ca 0.00 1.15 0.16 0.00 0.71 0.00 0.00 52.55 54.57 1s7a s ASP 64 Cb 0.00 -2.51 1.18 0.00 1.01 0.00 0.00 42.92 42.60 1s7a s ASP 64 CO 0.00 -2.54 1.61 -0.26 0.21 0.00 0.00 175.17 174.19 1s7a h PHE 65 N 17.53 0.77 -0.21 4.23 0.04 -1.97 0.73 116.94 138.06 1s7a h PHE 65 Ca -0.28 0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.38 1s7a h PHE 65 Cb 1.24 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1s7a h PHE 65 CO 0.97 -0.36 -0.44 -0.91 -0.60 0.00 0.00 178.31 176.97 1s7a h ASN 66 N 0.12 0.76 -0.26 2.17 2.35 -1.95 -1.29 115.58 117.48 1s7a h ASN 66 Ca 0.78 -0.55 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 1s7a h ASN 66 Cb 1.91 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 40.06 1s7a h ASN 66 CO -0.72 1.17 -0.42 0.58 -1.65 0.00 0.00 177.43 176.39 1s7a h VAL 67 N 0.37 1.30 -0.19 2.81 2.07 -0.41 -1.69 116.25 120.51 1s7a h VAL 67 Ca 0.01 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 1s7a h VAL 67 Cb 1.05 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1s7a h VAL 67 CO 0.10 0.52 -0.04 -0.29 0.02 0.00 0.00 177.57 177.88 1s7a h ILE 68 N 0.49 1.28 -0.29 4.57 2.10 0.13 -3.02 117.51 122.76 1s7a h ILE 68 Ca 0.02 -0.99 -0.07 0.00 1.08 0.00 0.00 64.86 64.90 1s7a h ILE 68 Cb 1.01 1.55 -0.02 0.00 -1.09 0.00 0.00 36.82 38.27 1s7a h ILE 68 CO 0.10 0.30 -0.12 -0.37 -1.08 0.00 0.00 178.15 176.98 1s7a h VAL 69 N 0.09 1.23 -0.88 2.19 -1.51 -1.28 -2.73 116.25 113.36 1s7a h VAL 69 Ca 0.05 -1.00 0.05 0.00 -1.23 0.00 0.00 66.70 64.58 1s7a h VAL 69 Cb 0.47 1.14 -0.05 0.00 -2.13 0.00 0.00 31.29 30.72 1s7a h VAL 69 CO 0.02 0.33 0.57 -0.08 -1.23 0.00 0.00 177.57 177.18 1s7a h GLU 70 N 0.45 0.99 -0.28 5.19 4.81 -1.18 0.42 114.58 124.98 1s7a h GLU 70 Ca 0.08 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 1s7a h GLU 70 Cb 0.48 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1s7a h GLU 70 CO 0.03 0.66 -0.30 0.00 -0.73 0.00 0.00 179.01 178.67 1s7a h ALA 71 N 1.51 0.95 -0.03 2.92 0.00 -1.41 -2.95 119.26 120.25 1s7a h ALA 71 Ca 0.37 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1s7a h ALA 71 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1s7a h ALA 71 CO -0.13 0.61 -0.74 -0.07 0.00 0.00 0.00 179.25 178.92 1s7a h LEU 72 N 0.50 0.27 -1.88 0.00 3.38 -1.20 -3.03 115.31 113.35 1s7a h LEU 72 Ca 0.06 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1s7a h LEU 72 Cb 0.77 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1s7a h LEU 72 CO 0.06 0.92 0.46 -1.28 0.09 0.00 0.00 178.44 178.69 1s7a h SER 73 N 0.15 0.00 0.00 -0.43 0.87 -0.78 0.39 113.55 113.75 1s7a h SER 73 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1s7a h SER 73 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1s7a h SER 73 CO 0.11 0.00 -1.27 0.29 -0.53 0.00 0.00 176.83 175.43 1s7a n LYS 74 N -3.39 0.63 -1.11 2.24 4.76 -1.15 -4.99 118.16 115.15 1s7a n LYS 74 Ca 0.05 -0.07 -0.34 0.00 -2.87 0.00 0.00 58.31 55.08 1s7a n LYS 74 Cb 0.59 -1.43 0.11 0.00 -1.84 0.00 0.00 35.03 32.46 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 -1.72 -0.16 -2.68 4.39 2.88 0.14 -4.97 113.62 111.49 1s7a n SER 75 Ca 0.01 0.55 -0.05 0.00 -1.33 0.00 0.00 58.87 58.05 1s7a n SER 75 Cb 0.38 -1.37 0.10 0.00 -0.75 0.00 0.00 64.21 62.57 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 -2.20 0.48 -0.61 -1.46 4.81 -1.26 -4.98 118.16 112.94 1s7a n LYS 76 Ca 0.11 -1.15 0.09 0.00 -0.87 0.00 0.00 58.31 56.49 1s7a n LYS 76 Cb 0.51 -0.41 0.35 0.00 0.02 0.00 0.00 35.03 35.49 1s7a n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s7a n ALA 77 N 0.30 3.13 -1.22 3.14 0.00 -1.26 -4.90 120.51 119.71 1s7a n ALA 77 Ca -0.04 -1.68 -0.10 0.00 0.00 0.00 0.00 53.44 51.62 1s7a n ALA 77 Cb 0.74 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 0.88 -1.67 0.00 0.00 4.07 -1.26 -4.67 120.64 117.99 1s7a n GLU 78 Ca 0.25 0.77 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 1s7a n GLU 78 Cb 0.91 -5.05 0.00 0.00 -0.06 0.00 0.00 31.44 27.24 1s7a n GLU 78 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1s7a n LEU 79 N -1.18 0.00 -4.49 4.31 -0.00 -1.26 -4.76 117.00 109.62 1s7a n LEU 79 Ca -0.10 -0.25 -0.28 0.00 -0.00 0.00 0.00 56.01 55.38 1s7a n LEU 79 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.83 1s7a n LEU 79 CO 0.15 0.00 -0.49 -0.32 -0.00 0.00 0.00 177.39 176.73 1s7a s MET 80 N -1.19 1.76 -0.15 1.96 1.75 -1.26 -2.57 119.30 119.59 1s7a s MET 80 Ca 0.00 -1.29 -0.08 0.00 -1.25 0.00 0.00 55.69 53.07 1s7a s MET 80 Cb 0.00 -2.05 0.06 0.00 2.84 0.00 0.00 34.83 35.68 1s7a s MET 80 CO 0.00 0.45 0.36 -2.00 -0.65 0.00 0.00 175.02 173.18 1s7a s GLU 81 N -2.41 0.33 0.03 4.11 2.56 -0.98 -4.73 118.70 117.62 1s7a s GLU 81 Ca 0.20 0.71 0.09 0.00 0.00 0.00 0.00 54.97 55.97 1s7a s GLU 81 Cb -0.10 -0.05 -0.03 0.00 2.00 0.00 0.00 34.13 35.96 1s7a s GLU 81 CO 0.11 -0.16 -0.26 0.42 -0.56 0.00 0.00 175.26 174.80 1s7a s ILE 82 N 1.38 2.11 0.35 -3.70 1.09 -1.26 -1.88 121.20 119.29 1s7a s ILE 82 Ca -0.09 -1.32 -0.05 0.00 -1.10 0.00 0.00 60.65 58.09 1s7a s ILE 82 Cb -0.09 -1.79 0.08 0.00 -1.06 0.00 0.00 42.46 39.60 1s7a s ILE 82 CO -0.11 0.41 0.18 -0.24 -0.10 0.00 0.00 174.94 175.08 1s7a n SER 83 N 1.94 -2.00 0.07 3.58 2.88 -1.25 -4.83 113.62 114.01 1s7a n SER 83 Ca -0.17 -0.18 0.13 0.00 -1.33 0.00 0.00 58.87 57.32 1s7a n SER 83 Cb 0.52 -0.25 0.36 0.00 -0.75 0.00 0.00 64.21 64.09 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 -1.85 0.20 0.03 -1.46 -0.58 -1.26 -3.41 120.64 112.31 1s7a n GLU 84 Ca 0.03 0.12 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 1s7a n GLU 84 Cb 0.12 -1.69 0.21 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.02 0.57 -2.51 1.62 2.03 -1.26 -4.96 116.55 110.02 1s7a n ASP 85 Ca 0.05 -0.07 -0.14 0.00 0.52 0.00 0.00 54.79 55.16 1s7a n ASP 85 Cb 0.41 0.23 0.05 0.00 -0.72 0.00 0.00 41.12 41.09 1s7a n ASP 85 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1s7a n LYS 86 N -1.78 -4.78 -0.89 -0.67 4.81 -1.22 -4.93 118.16 108.70 1s7a n LYS 86 Ca 0.04 0.54 0.03 0.00 -0.87 0.00 0.00 58.31 58.04 1s7a n LYS 86 Cb 0.39 -4.66 0.03 0.00 0.02 0.00 0.00 35.03 30.80 1s7a n LYS 86 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1s7a n THR 87 N -3.69 0.22 -3.47 3.15 5.66 -1.26 -4.83 114.28 110.06 1s7a n THR 87 Ca -0.07 -0.70 -0.14 0.00 -3.05 0.00 0.00 64.05 60.10 1s7a n THR 87 Cb 0.57 0.62 -0.04 0.00 -1.55 0.00 0.00 70.33 69.93 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 -0.33 1.12 0.01 1.09 -2.85 -1.26 -4.02 119.74 113.50 1s7a s LYS 88 Ca 0.18 -0.15 0.02 0.00 -1.00 0.00 0.00 55.97 55.01 1s7a s LYS 88 Cb 0.19 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.47 1s7a s LYS 88 CO -0.07 -0.43 -0.05 0.96 0.10 0.00 0.00 175.35 175.85 1s7a s ILE 89 N -2.59 0.40 0.10 3.79 -4.36 0.49 -3.86 121.20 115.16 1s7a s ILE 89 Ca -0.03 -0.51 -0.13 0.00 -0.26 0.00 0.00 60.65 59.72 1s7a s ILE 89 Cb -0.01 -0.40 0.02 0.00 1.25 0.00 0.00 42.46 43.33 1s7a s ILE 89 CO -0.03 -0.08 0.31 0.00 0.24 0.00 0.00 174.94 175.38 1s7a s ARG 90 N -0.64 0.94 0.20 0.37 1.70 -0.79 -1.25 118.95 119.49 1s7a s ARG 90 Ca -0.03 -0.75 -0.30 0.00 -0.47 0.00 0.00 55.73 54.18 1s7a s ARG 90 Cb -0.05 0.40 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 1s7a s ARG 90 CO -0.00 -0.34 1.18 0.50 -1.08 0.00 0.00 175.30 175.56 1s7a s ARG 91 N -3.58 4.52 -0.32 3.89 3.00 -1.26 -2.31 118.95 122.89 1s7a s ARG 91 Ca 0.02 1.86 -0.28 0.00 -1.00 0.00 0.00 55.73 56.33 1s7a s ARG 91 Cb 0.02 -3.23 -0.03 0.00 0.00 0.00 0.00 34.95 31.71 1s7a s ARG 91 CO -0.10 -0.03 2.00 0.45 0.00 0.00 0.00 175.30 177.62 1s7a s SER 92 N -0.04 5.58 0.55 -2.12 0.15 -1.06 -4.79 113.70 111.97 1s7a s SER 92 Ca 0.51 1.44 0.25 0.00 0.70 0.00 0.00 55.95 58.85 1s7a s SER 92 Cb -0.32 -2.52 1.58 0.00 -1.71 0.00 0.00 66.02 63.04 1s7a s SER 92 CO 0.37 -1.93 2.19 1.55 1.20 0.00 0.00 173.24 176.62 1s7a h PRO 93 N 14.31 0.00 0.00 5.44 0.13 -1.93 0.90 132.00 150.85 1s7a h PRO 93 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1s7a h PRO 93 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s7a h PRO 93 CO 1.03 0.03 0.00 0.77 -0.23 0.00 0.00 178.00 179.60 1s7a h SER 94 N 0.00 0.00 -3.20 1.44 0.02 -1.95 -3.39 113.55 106.47 1s7a h SER 94 Ca -0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 1s7a h SER 94 Cb 0.07 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.28 1s7a h SER 94 CO 0.00 0.00 -0.84 -0.54 -1.14 0.00 0.00 176.83 174.31 1s7a s LYS 95 N -3.66 3.09 0.53 3.45 -0.14 0.31 -5.10 119.74 118.22 1s7a s LYS 95 Ca -0.01 -0.81 -0.20 0.00 -1.36 0.00 0.00 55.97 53.58 1s7a s LYS 95 Cb 0.09 -2.55 -0.06 0.00 -1.68 0.00 0.00 37.83 33.63 1s7a s LYS 95 CO 0.32 -0.06 1.17 -1.25 -0.76 0.00 0.00 175.35 174.77 1s7a s PRO 96 N 0.95 3.35 -0.18 -1.68 0.04 -1.26 -4.78 135.00 131.44 1s7a s PRO 96 Ca -0.03 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1s7a s PRO 96 Cb -0.15 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1s7a s PRO 96 CO -0.04 -0.89 -0.15 -0.48 0.04 0.00 0.00 177.00 175.49 1s7a s LEU 97 N -3.65 2.15 0.32 -3.56 0.05 -1.26 -5.02 118.68 107.72 1s7a s LEU 97 Ca 0.72 -0.73 -0.04 0.00 0.05 0.00 0.00 54.13 54.13 1s7a s LEU 97 Cb -0.28 -1.33 -0.05 0.00 -2.05 0.00 0.00 46.19 42.48 1s7a s LEU 97 CO 0.32 -0.07 0.58 -2.16 -0.55 0.00 0.00 176.35 174.46 1s7a s PRO 98 N 1.36 3.59 0.10 1.48 0.04 -1.26 -4.93 135.00 135.38 1s7a s PRO 98 Ca 0.02 -0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.10 1s7a s PRO 98 Cb -0.14 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 1s7a s PRO 98 CO -0.10 0.15 -0.18 -2.00 0.04 0.00 0.00 177.00 174.91 1s7a s GLU 99 N -3.84 1.87 0.24 4.56 2.12 -1.26 -4.69 118.70 117.70 1s7a s GLU 99 Ca 0.43 -1.12 -0.16 0.00 0.36 0.00 0.00 54.97 54.48 1s7a s GLU 99 Cb -0.10 -2.14 -0.08 0.00 0.26 0.00 0.00 34.13 32.06 1s7a s GLU 99 CO 0.33 0.50 0.68 0.14 -0.54 0.00 0.00 175.26 176.37 1s7a s VAL 100 N -1.10 4.69 -0.00 3.70 -7.23 -1.26 -5.08 120.40 114.12 1s7a s VAL 100 Ca 0.17 1.03 0.05 0.00 -1.81 0.00 0.00 61.98 61.42 1s7a s VAL 100 Cb -0.11 -3.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 1s7a s VAL 100 CO 0.09 0.06 -0.14 0.42 -0.31 0.00 0.00 175.10 175.22 1s7a s THR 101 N -1.69 3.07 0.09 5.32 -4.23 -1.26 -5.09 115.64 111.85 1s7a s THR 101 Ca 0.46 -0.92 -0.31 0.00 -1.18 0.00 0.00 61.69 59.74 1s7a s THR 101 Cb -0.14 -2.27 -0.07 0.00 1.34 0.00 0.00 72.50 71.37 1s7a s THR 101 CO 0.19 0.45 1.31 -0.62 -0.54 0.00 0.00 174.62 175.42 1s7a s ASP 102 N -1.16 6.93 0.00 3.99 -1.08 -1.26 -5.35 116.67 118.74 1s7a s ASP 102 Ca 0.14 2.19 0.00 0.00 -0.52 0.00 0.00 52.55 54.36 1s7a s ASP 102 Cb -0.11 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1s7a s ASP 102 CO 0.04 -0.58 0.35 -0.62 0.52 0.00 0.00 175.17 174.88