#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7a h ALA 2 N 0.00 2.39 -3.72 3.04 0.00 -2.09 -3.39 119.26 115.50 1s7a h ALA 2 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1s7a h ALA 2 Cb 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 17.54 1s7a h ALA 2 CO 0.00 -0.92 -0.73 -1.21 0.00 0.00 0.00 179.25 176.38 1s7a s GLU 3 N -4.65 0.14 0.17 0.00 2.02 -1.26 -5.15 118.70 109.97 1s7a s GLU 3 Ca -0.04 -0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.03 1s7a s GLU 3 Cb 0.16 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 1s7a s GLU 3 CO 0.58 -0.01 -0.16 1.21 0.02 0.00 0.00 175.26 176.90 1s7a s ASN 4 N 0.22 3.90 0.00 -0.19 3.84 -1.26 -5.08 114.94 116.36 1s7a s ASN 4 Ca -0.02 -0.68 0.00 0.00 0.21 0.00 0.00 52.86 52.37 1s7a s ASN 4 Cb -0.04 -0.52 0.00 0.00 -0.55 0.00 0.00 41.25 40.14 1s7a s ASN 4 CO -0.01 0.12 0.00 0.61 -2.79 0.00 0.00 177.10 175.04 1s7a n GLY 5 N 0.26 1.54 3.06 1.21 0.00 -1.26 -5.02 105.19 104.98 1s7a n GLY 5 Ca -0.12 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 1s7a n GLY 5 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1s7a s ASP 6 N 0.00 4.99 -0.55 1.61 -4.77 -1.26 -5.04 116.67 111.65 1s7a s ASP 6 Ca 0.00 -2.71 -0.18 0.00 -3.30 0.00 0.00 52.55 46.36 1s7a s ASP 6 Cb 0.00 -1.78 0.10 0.00 -1.09 0.00 0.00 42.92 40.15 1s7a s ASP 6 CO 0.00 -0.36 0.59 0.20 0.70 0.00 0.00 175.17 176.30 1s7a s ASN 7 N 0.65 6.19 0.30 2.11 0.01 -1.26 -4.90 114.94 118.04 1s7a s ASN 7 Ca 0.15 -1.42 0.06 0.00 -0.71 0.00 0.00 52.86 50.93 1s7a s ASN 7 Cb -0.22 -2.26 0.49 0.00 0.41 0.00 0.00 41.25 39.67 1s7a s ASN 7 CO -0.03 -0.94 1.74 -0.33 -1.51 0.00 0.00 177.10 176.03 1s7a h GLU 8 N 9.01 0.32 -0.78 -0.60 5.08 -2.02 -2.82 114.58 122.77 1s7a h GLU 8 Ca -0.29 -0.13 0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1s7a h GLU 8 Cb 1.10 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 1s7a h GLU 8 CO 1.03 0.61 0.51 -0.22 -1.00 0.00 0.00 179.01 179.94 1s7a h LYS 9 N 0.28 0.58 -0.70 2.33 1.63 -2.01 -0.32 116.57 118.35 1s7a h LYS 9 Ca 0.04 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1s7a h LYS 9 Cb 0.71 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.17 1s7a h LYS 9 CO 0.05 0.38 0.46 1.98 -3.45 0.00 0.00 179.45 178.88 1s7a h MET 10 N 0.60 0.84 0.20 1.90 4.05 -1.92 -1.90 114.93 118.69 1s7a h MET 10 Ca 0.37 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1s7a h MET 10 Cb 0.62 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1s7a h MET 10 CO -0.14 0.56 -0.16 0.00 0.23 0.00 0.00 176.91 177.40 1s7a h ALA 11 N 1.59 -0.35 -0.28 0.39 0.00 -1.17 -1.62 119.26 117.81 1s7a h ALA 11 Ca 0.28 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1s7a h ALA 11 Cb 0.03 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1s7a h ALA 11 CO -0.08 -0.71 0.19 0.00 0.00 0.00 0.00 179.25 178.65 1s7a h ALA 12 N 0.40 1.81 -0.02 0.00 0.00 -1.47 -0.82 119.26 119.17 1s7a h ALA 12 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s7a h ALA 12 Cb 0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1s7a h ALA 12 CO -0.02 0.17 0.01 1.25 0.00 0.00 0.00 179.25 180.67 1s7a h LEU 13 N 0.37 0.01 -0.48 0.00 6.46 -0.51 -1.82 115.31 119.33 1s7a h LEU 13 Ca 0.11 -0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.73 1s7a h LEU 13 Cb -0.02 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1s7a h LEU 13 CO -0.02 0.01 -0.23 -0.33 -0.62 0.00 0.00 178.44 177.24 1s7a h GLU 14 N 0.01 1.00 -0.74 1.25 4.39 -0.77 -2.84 114.58 116.88 1s7a h GLU 14 Ca 0.01 -0.44 0.05 0.00 0.34 0.00 0.00 59.36 59.32 1s7a h GLU 14 Cb 0.02 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 1s7a h GLU 14 CO -0.00 1.11 0.45 0.00 -1.16 0.00 0.00 179.01 179.41 1s7a h ALA 15 N 0.87 0.99 -0.75 3.43 0.00 -1.35 -1.46 119.26 120.99 1s7a h ALA 15 Ca 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1s7a h ALA 15 Cb 0.82 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1s7a h ALA 15 CO 0.07 0.19 0.24 0.87 0.00 0.00 0.00 179.25 180.62 1s7a h LYS 16 N 0.85 1.16 -0.42 0.00 6.56 -1.44 -1.09 116.57 122.19 1s7a h LYS 16 Ca 0.31 -0.25 -0.01 0.00 -1.06 0.00 0.00 60.65 59.65 1s7a h LYS 16 Cb 0.11 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.58 1s7a h LYS 16 CO -0.15 0.98 0.22 0.82 -2.06 0.00 0.00 179.45 179.27 1s7a h ILE 17 N 1.12 1.16 -0.53 1.86 2.04 -1.10 -1.02 117.51 121.04 1s7a h ILE 17 Ca 0.24 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 1s7a h ILE 17 Cb 0.30 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1s7a h ILE 17 CO -0.01 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.26 1s7a h HIS 19 N 0.87 0.91 -0.06 0.00 2.76 -0.88 -1.24 115.15 117.51 1s7a h HIS 19 Ca 0.15 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1s7a h HIS 19 Cb 0.58 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.29 1s7a h HIS 19 CO 0.04 0.83 0.02 1.96 -1.30 0.00 0.00 177.93 179.48 1s7a h GLN 20 N 0.80 0.09 -0.64 5.26 7.50 -0.98 -1.58 115.11 125.56 1s7a h GLN 20 Ca 0.15 -0.02 0.04 0.00 0.50 0.00 0.00 58.65 59.33 1s7a h GLN 20 Cb 0.47 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.95 1s7a h GLN 20 CO 0.02 0.25 0.42 0.82 -1.50 0.00 0.00 178.83 178.84 1s7a h ILE 21 N -0.09 1.05 -0.49 2.54 1.08 -1.33 0.10 117.51 120.38 1s7a h ILE 21 Ca 0.02 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1s7a h ILE 21 Cb 0.19 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 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 0.65 -0.51 2.37 4.81 -0.52 -1.07 114.58 121.03 1s7a h GLU 22 Ca 0.26 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1s7a h GLU 22 Cb 0.15 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1s7a h GLU 22 CO -0.08 0.47 0.31 -0.92 -0.73 0.00 0.00 179.01 178.06 1s7a h TYR 23 N 0.67 0.66 0.14 0.92 3.20 0.16 5.06 116.97 127.79 1s7a h TYR 23 Ca 0.18 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.75 1s7a h TYR 23 Cb -0.01 -0.22 0.03 0.00 1.54 0.00 0.00 36.73 38.07 1s7a h TYR 23 CO 0.00 0.45 -1.25 1.88 -1.64 0.00 0.00 178.16 177.61 1s7a h TYR 24 N 0.68 0.98 0.00 -3.82 0.05 -1.41 -3.19 116.97 110.26 1s7a h TYR 24 Ca 0.18 -0.64 -0.06 0.00 0.05 0.00 0.00 58.73 58.27 1s7a h TYR 24 Cb -0.02 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1s7a h TYR 24 CO -0.03 1.48 -1.63 1.19 -1.05 0.00 0.00 178.16 178.12 1s7a n PHE 25 N -3.81 0.00 -0.15 4.88 3.01 -0.44 -0.86 117.46 120.09 1s7a n PHE 25 Ca -0.14 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.34 1s7a n PHE 25 Cb 0.99 -0.36 0.05 0.00 -0.01 0.00 0.00 39.48 40.15 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 1.93 -0.69 0.00 1.37 0.00 1.65 -4.56 105.19 104.88 1s7a n GLY 26 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.65 0.00 0.07 1.61 9.92 -1.25 -5.00 116.55 117.25 1s7a n ASP 27 Ca 0.06 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.11 1s7a n ASP 27 Cb 0.20 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.53 1s7a n ASP 27 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1s7a h PHE 28 N 0.00 0.63 0.04 1.24 3.57 -1.81 -3.34 116.94 117.27 1s7a h PHE 28 Ca 0.00 -0.46 -0.23 0.00 3.53 0.00 0.00 57.97 60.81 1s7a h PHE 28 Cb 0.00 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1s7a h PHE 28 CO 0.00 1.39 -1.01 -0.91 -2.23 0.00 0.00 178.31 175.55 1s7a h ASN 29 N -0.25 0.31 -0.31 0.41 -0.26 -1.61 -3.34 115.58 110.53 1s7a h ASN 29 Ca -0.19 -0.28 0.03 0.00 -0.56 0.00 0.00 56.30 55.30 1s7a h ASN 29 Cb 1.77 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 38.90 1s7a h ASN 29 CO 0.17 1.14 0.11 0.25 -1.06 0.00 0.00 177.43 178.04 1s7a h LEU 30 N 0.10 0.13 -0.91 1.61 7.12 -1.15 4.42 115.31 126.64 1s7a h LEU 30 Ca -0.07 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1s7a h LEU 30 Cb 1.69 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 1s7a h LEU 30 CO 0.16 0.11 0.00 -2.65 -0.13 0.00 0.00 178.44 175.93 1s7a n PRO 31 N -5.01 0.13 0.00 5.25 -0.02 -1.25 -3.29 135.00 130.81 1s7a n PRO 31 Ca -0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1s7a n PRO 31 Cb 0.10 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1s7a n PRO 31 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1s7a n ARG 32 N -2.11 0.81 -1.58 -0.52 0.63 -0.64 -5.01 116.66 108.24 1s7a n ARG 32 Ca 0.00 -0.03 -0.34 0.00 -0.92 0.00 0.00 57.85 56.56 1s7a n ARG 32 Cb 0.11 -0.26 -0.03 0.00 0.45 0.00 0.00 32.46 32.73 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 -0.12 4.40 0.01 6.15 1.11 1.44 -4.78 116.67 124.88 1s7a s ASP 33 Ca 0.00 0.94 -0.20 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 -2.97 1.17 0.11 1.18 0.00 0.00 175.17 174.65 1s7a h LYS 34 N 18.73 0.37 -0.45 8.23 1.79 -1.91 -1.82 116.57 141.51 1s7a h LYS 34 Ca -0.22 -0.32 -0.07 0.00 -2.18 0.00 0.00 60.65 57.86 1s7a h LYS 34 Cb 1.24 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 1s7a h LYS 34 CO 1.15 0.97 0.01 0.27 -1.08 0.00 0.00 179.45 180.77 1s7a h PHE 35 N -0.12 0.86 -0.40 -1.35 -5.15 -1.98 -2.57 116.94 106.23 1s7a h PHE 35 Ca -0.03 -0.15 -0.05 0.00 -0.20 0.00 0.00 57.97 57.54 1s7a h PHE 35 Cb 1.06 -0.23 -0.02 0.00 0.22 0.00 0.00 35.95 36.99 1s7a h PHE 35 CO 0.13 0.84 0.05 1.25 -2.00 0.00 0.00 178.31 178.58 1s7a h LEU 36 N 0.64 0.57 -1.58 2.10 7.12 -1.95 -1.52 115.31 120.69 1s7a h LEU 36 Ca 0.13 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1s7a h LEU 36 Cb 0.49 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1s7a h LEU 36 CO 0.02 0.60 0.02 0.50 -0.13 0.00 0.00 178.44 179.46 1s7a h LYS 37 N 0.59 0.29 -0.12 1.25 1.63 -0.95 0.30 116.57 119.55 1s7a h LYS 37 Ca 0.13 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 1s7a h LYS 37 Cb 0.29 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1s7a h LYS 37 CO 0.00 0.30 -0.08 1.49 -3.45 0.00 0.00 179.45 177.71 1s7a h GLU 38 N 0.28 0.28 -0.13 1.90 4.81 -0.90 -1.24 114.58 119.58 1s7a h GLU 38 Ca 0.07 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1s7a h GLU 38 Cb 0.16 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1s7a h GLU 38 CO 0.00 0.64 -0.26 1.96 -0.73 0.00 0.00 179.01 180.62 1s7a h GLN 39 N -0.09 0.40 -0.91 1.92 1.08 -1.18 0.01 115.11 116.34 1s7a h GLN 39 Ca 0.03 -0.26 0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1s7a h GLN 39 Cb 0.57 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.97 1s7a h GLN 39 CO 0.02 0.86 0.59 0.97 -0.95 0.00 0.00 178.83 180.32 1s7a h ILE 40 N -0.01 1.10 0.00 2.54 2.10 -0.47 -0.28 117.51 122.48 1s7a h ILE 40 Ca 0.00 -0.37 -0.12 0.00 1.08 0.00 0.00 64.86 65.46 1s7a h ILE 40 Cb 0.85 -0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 36.50 1s7a h ILE 40 CO 0.06 0.19 -0.56 0.50 -1.08 0.00 0.00 178.15 177.26 1s7a h LYS 41 N 1.07 0.00 0.00 2.19 3.64 -1.16 -1.97 116.57 120.34 1s7a h LYS 41 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1s7a h LYS 41 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1s7a h LYS 41 CO -0.13 0.56 0.00 -0.11 -2.27 0.00 0.00 179.45 177.49 1s7a n LEU 42 N -3.35 0.00 -3.17 5.20 7.94 -0.02 -4.44 117.00 119.16 1s7a n LEU 42 Ca 0.01 0.44 0.02 0.00 -1.11 0.00 0.00 56.01 55.37 1s7a n LEU 42 Cb 0.70 -0.19 -0.01 0.00 0.53 0.00 0.00 43.42 44.45 1s7a n LEU 42 CO 0.41 -0.19 0.10 -1.81 -1.11 0.00 0.00 177.39 174.79 1s7a s ASP 43 N -2.65 -1.31 0.00 1.96 1.01 -1.26 -4.90 116.67 109.51 1s7a s ASP 43 Ca 0.00 0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.68 1s7a s ASP 43 Cb 0.00 1.98 0.00 0.00 1.01 0.00 0.00 42.92 45.91 1s7a s ASP 43 CO 0.00 -0.29 0.00 1.21 0.21 0.00 0.00 175.17 176.30 1s7a n GLU 44 N 5.42 0.00 -2.05 8.23 2.13 -1.26 -3.61 120.64 129.49 1s7a n GLU 44 Ca 0.02 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.81 1s7a n GLU 44 Cb 0.52 -2.52 0.02 0.00 0.27 0.00 0.00 31.44 29.73 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 -2.00 0.40 2.75 8.31 0.00 -0.74 -5.03 105.19 108.88 1s7a n GLY 45 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.07 1.49 -0.13 1.61 0.23 -1.24 -4.42 118.94 113.40 1s7a s TRP 46 Ca 0.05 -1.40 -0.06 0.00 -2.03 0.00 0.00 56.10 52.65 1s7a s TRP 46 Cb -0.01 -1.43 -0.04 0.00 0.03 0.00 0.00 33.47 32.02 1s7a s TRP 46 CO 0.14 -0.78 0.08 0.54 0.96 0.00 0.00 176.95 177.90 1s7a s VAL 47 N 1.70 5.02 0.41 4.03 0.11 0.09 -4.85 120.40 126.90 1s7a s VAL 47 Ca 0.05 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1s7a s VAL 47 Cb -0.17 -3.20 -0.07 0.00 -1.53 0.00 0.00 36.38 31.41 1s7a s VAL 47 CO -0.18 0.56 0.78 -2.16 -3.33 0.00 0.00 175.10 170.77 1s7a s PRO 48 N -0.54 3.81 0.00 1.54 0.05 -1.26 0.15 135.00 138.75 1s7a s PRO 48 Ca 0.11 0.52 0.08 0.00 0.05 0.00 0.00 61.00 61.76 1s7a s PRO 48 Cb -0.12 -2.38 0.46 0.00 0.05 0.00 0.00 34.50 32.52 1s7a s PRO 48 CO 0.02 -0.04 0.92 1.28 0.05 0.00 0.00 177.00 179.23 1s7a n LEU 49 N -1.24 0.00 -0.09 -3.56 4.77 -1.24 -2.82 117.00 112.81 1s7a n LEU 49 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1s7a n LEU 49 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1s7a n LEU 49 CO 0.47 0.00 0.89 1.05 -1.33 0.00 0.00 177.39 178.47 1s7a h GLU 50 N 0.00 0.44 -0.17 3.23 4.11 -1.91 1.45 114.58 121.73 1s7a h GLU 50 Ca 0.00 -0.08 -0.11 0.00 0.07 0.00 0.00 59.36 59.24 1s7a h GLU 50 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1s7a h GLU 50 CO 0.00 0.46 -0.37 0.82 0.07 0.00 0.00 179.01 179.99 1s7a h ILE 51 N 0.33 1.29 0.06 -1.06 2.04 -1.93 -1.35 117.51 116.90 1s7a h ILE 51 Ca 0.10 -1.46 -0.16 0.00 1.00 0.00 0.00 64.86 64.34 1s7a h ILE 51 Cb 0.18 1.57 0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1s7a h ILE 51 CO -0.01 0.45 -0.66 0.24 0.00 0.00 0.00 178.15 178.17 1s7a h MET 52 N 0.31 0.33 0.00 2.37 2.86 -1.59 -1.85 114.93 117.37 1s7a h MET 52 Ca 0.03 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1s7a h MET 52 Cb 0.79 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1s7a h MET 52 CO 0.06 1.15 0.00 0.44 1.06 0.00 0.00 176.91 179.62 1s7a n ILE 53 N -4.21 0.00 0.08 -1.22 -6.64 0.49 -2.70 119.36 105.17 1s7a n ILE 53 Ca -0.12 0.00 0.02 0.00 -1.77 0.00 0.00 62.75 60.89 1s7a n ILE 53 Cb 0.72 -0.54 -0.04 0.00 -1.44 0.00 0.00 39.64 38.35 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 -0.93 2.08 -2.54 6.28 4.81 -0.51 -4.37 118.16 122.97 1s7a n LYS 54 Ca 0.17 -0.03 -0.40 0.00 -0.87 0.00 0.00 58.31 57.17 1s7a n LYS 54 Cb 0.08 -0.98 -0.05 0.00 0.02 0.00 0.00 35.03 34.10 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 -2.02 3.67 0.64 5.64 0.08 -0.70 -4.81 117.98 120.48 1s7a s PHE 55 Ca -0.00 1.73 0.34 0.00 0.12 0.00 0.00 56.93 59.12 1s7a s PHE 55 Cb 0.03 -3.21 1.88 0.00 -0.57 0.00 0.00 43.02 41.15 1s7a s PHE 55 CO 0.21 -0.33 2.11 -0.91 -0.10 0.00 0.00 175.22 176.20 1s7a h ASN 56 N 4.14 0.00 0.81 1.36 -0.26 -1.91 0.15 115.58 119.87 1s7a h ASN 56 Ca -0.46 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.25 1s7a h ASN 56 Cb 1.21 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1s7a h ASN 56 CO 0.68 0.00 -0.14 -0.09 -1.06 0.00 0.00 177.43 176.83 1s7a h ARG 57 N 0.00 0.00 0.00 0.81 9.65 -1.90 -2.86 114.38 120.08 1s7a h ARG 57 Ca 0.03 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.76 1s7a h ARG 57 Cb 0.43 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1s7a h ARG 57 CO -0.00 0.14 -1.41 -0.11 2.80 0.00 0.00 179.97 181.39 1s7a n LEU 58 N -3.34 0.90 0.28 3.80 7.94 0.37 -4.56 117.00 122.38 1s7a n LEU 58 Ca -0.00 0.15 0.18 0.00 -1.11 0.00 0.00 56.01 55.23 1s7a n LEU 58 Cb 0.35 -0.36 0.93 0.00 0.53 0.00 0.00 43.42 44.87 1s7a n LEU 58 CO 0.30 0.09 1.15 -1.13 -1.11 0.00 0.00 177.39 176.70 1s7a h ASN 59 N -0.40 0.00 -0.53 1.96 -1.24 -1.30 -0.99 115.58 113.08 1s7a h ASN 59 Ca -0.23 0.00 0.15 0.00 0.71 0.00 0.00 56.30 56.93 1s7a h ASN 59 Cb 1.10 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.13 1s7a h ASN 59 CO -0.14 0.00 0.55 -0.09 -1.29 0.00 0.00 177.43 176.46 1s7a h ARG 60 N 0.00 0.00 0.00 6.67 2.43 -1.70 -3.39 114.38 118.39 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 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1s7a h ARG 60 CO -0.00 0.00 0.00 -0.11 -1.51 0.00 0.00 179.97 178.35 1s7a n LEU 61 N -3.71 0.00 -4.33 3.80 7.94 -0.42 -5.09 117.00 115.19 1s7a n LEU 61 Ca 0.10 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.67 1s7a n LEU 61 Cb 0.76 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.57 1s7a n LEU 61 CO 0.28 -0.44 -0.43 -0.89 -1.11 0.00 0.00 177.39 174.80 1s7a s THR 62 N -0.88 3.07 0.00 1.96 2.01 -0.96 -4.93 115.64 115.91 1s7a s THR 62 Ca 0.00 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1s7a s THR 62 Cb 0.00 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1s7a s THR 62 CO 0.00 0.49 0.36 0.41 -0.69 0.00 0.00 174.62 175.19 1s7a n THR 63 N 4.02 0.00 -2.47 -0.82 -1.04 -1.26 -4.06 114.28 108.65 1s7a n THR 63 Ca -0.18 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 1s7a n THR 63 Cb 0.52 0.83 -0.02 0.00 -1.82 0.00 0.00 70.33 69.83 1s7a n THR 63 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1s7a s ASP 64 N 0.00 6.40 0.25 8.00 1.01 -1.26 -4.73 116.67 126.34 1s7a s ASP 64 Ca 0.00 0.50 0.05 0.00 0.71 0.00 0.00 52.55 53.81 1s7a s ASP 64 Cb 0.00 -2.55 0.70 0.00 1.01 0.00 0.00 42.92 42.09 1s7a s ASP 64 CO 0.00 -1.45 1.23 0.49 0.21 0.00 0.00 175.17 175.66 1s7a n PHE 65 N 8.64 0.59 -0.08 4.23 3.72 -1.26 0.11 117.46 133.41 1s7a n PHE 65 Ca 0.13 0.94 -0.13 0.00 -0.05 0.00 0.00 57.45 58.35 1s7a n PHE 65 Cb 0.49 -1.15 -0.01 0.00 -0.94 0.00 0.00 39.48 37.87 1s7a n PHE 65 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1s7a h ASN 66 N 0.00 0.92 -0.43 4.37 4.21 -1.95 -1.91 115.58 120.78 1s7a h ASN 66 Ca 0.52 -0.45 -0.14 0.00 1.21 0.00 0.00 56.30 57.44 1s7a h ASN 66 Cb 1.16 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.09 1s7a h ASN 66 CO -0.71 1.23 -0.29 1.62 -1.29 0.00 0.00 177.43 177.98 1s7a h VAL 67 N 0.68 1.27 -0.01 2.81 3.04 0.44 -2.02 116.25 122.46 1s7a h VAL 67 Ca 0.04 -1.46 -0.02 0.00 -1.01 0.00 0.00 66.70 64.24 1s7a h VAL 67 Cb 1.03 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1s7a h VAL 67 CO 0.10 0.50 -0.09 0.16 -1.01 0.00 0.00 177.57 177.23 1s7a h ILE 68 N 0.80 1.52 -0.83 3.17 3.07 -1.23 -3.06 117.51 120.95 1s7a h ILE 68 Ca 0.09 -1.67 0.09 0.00 1.55 0.00 0.00 64.86 64.91 1s7a h ILE 68 Cb 0.88 2.60 -0.06 0.00 -0.27 0.00 0.00 36.82 39.97 1s7a h ILE 68 CO 0.08 0.45 0.54 -0.37 -1.05 0.00 0.00 178.15 177.80 1s7a h VAL 69 N -0.56 0.98 -0.40 0.16 -1.51 -1.41 0.86 116.25 114.38 1s7a h VAL 69 Ca -0.01 -0.28 -0.03 0.00 -1.23 0.00 0.00 66.70 65.15 1s7a h VAL 69 Cb 0.77 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 1s7a h VAL 69 CO 0.02 0.15 0.11 -0.08 -1.23 0.00 0.00 177.57 176.54 1s7a h GLU 70 N 0.83 0.58 -0.23 5.19 4.57 -1.37 0.21 114.58 124.36 1s7a h GLU 70 Ca 0.38 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.40 1s7a h GLU 70 Cb 0.37 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1s7a h GLU 70 CO -0.15 0.52 -0.10 0.00 -1.18 0.00 0.00 179.01 178.10 1s7a h ALA 71 N 1.56 0.32 0.00 2.92 0.00 -0.75 -3.06 119.26 120.25 1s7a h ALA 71 Ca 0.13 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1s7a h ALA 71 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1s7a h ALA 71 CO -0.01 0.16 -0.55 1.25 0.00 0.00 0.00 179.25 180.11 1s7a h LEU 72 N 0.19 0.00 -1.79 0.00 5.85 -1.01 0.12 115.31 118.68 1s7a h LEU 72 Ca 0.05 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.99 1s7a h LEU 72 Cb 0.59 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1s7a h LEU 72 CO 0.03 0.55 0.59 0.77 -0.34 0.00 0.00 178.44 180.04 1s7a h SER 73 N 0.00 0.18 0.00 1.25 4.64 -0.47 -2.92 113.55 116.23 1s7a h SER 73 Ca -0.01 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1s7a h SER 73 Cb 1.06 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1s7a h SER 73 CO 0.07 0.07 -1.04 2.29 -0.87 0.00 0.00 176.83 177.35 1s7a n LYS 74 N -4.39 0.75 -3.78 4.77 2.85 -1.17 -4.96 118.16 112.22 1s7a n LYS 74 Ca 0.18 -0.01 -0.37 0.00 -1.05 0.00 0.00 58.31 57.06 1s7a n LYS 74 Cb 0.80 -1.02 -0.13 0.00 -0.65 0.00 0.00 35.03 34.04 1s7a n LYS 74 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1s7a s SER 75 N -2.29 5.03 -0.38 -5.58 1.04 0.41 -5.02 113.70 106.91 1s7a s SER 75 Ca -0.00 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.80 1s7a s SER 75 Cb 0.00 -1.86 0.16 0.00 0.10 0.00 0.00 66.02 64.42 1s7a s SER 75 CO 0.04 -0.16 0.39 -0.54 0.98 0.00 0.00 173.24 173.94 1s7a s LYS 76 N 1.50 0.69 0.00 4.02 1.02 -1.26 -4.06 119.74 121.65 1s7a s LYS 76 Ca 0.03 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.01 1s7a s LYS 76 Cb -0.17 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 1s7a s LYS 76 CO 0.02 -1.22 0.33 0.00 -0.92 0.00 0.00 175.35 173.56 1s7a n ALA 77 N 4.02 1.81 -1.91 5.17 0.00 -1.26 -4.72 120.51 123.63 1s7a n ALA 77 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1s7a n ALA 77 Cb 0.46 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.06 -1.19 0.00 0.00 4.71 -1.26 -4.84 120.64 118.00 1s7a n GLU 78 Ca 0.00 0.90 0.09 0.00 -0.01 0.00 0.00 57.16 58.15 1s7a n GLU 78 Cb 0.07 -5.19 0.50 0.00 -1.01 0.00 0.00 31.44 25.81 1s7a n GLU 78 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1s7a n LEU 79 N -2.05 0.00 0.00 -4.62 -0.00 -1.26 -4.88 117.00 104.19 1s7a n LEU 79 Ca -0.17 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1s7a n LEU 79 Cb 0.58 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1s7a n LEU 79 CO 0.23 -0.07 0.00 0.23 -0.00 0.00 0.00 177.39 177.78 1s7a n MET 80 N -1.18 0.00 -4.59 1.47 2.81 -1.26 -4.60 117.12 109.77 1s7a n MET 80 Ca 0.11 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.76 1s7a n MET 80 Cb 0.11 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.46 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 0.29 1.51 0.03 0.03 0.41 0.37 -4.80 118.70 116.53 1s7a s GLU 81 Ca 0.00 -0.43 0.08 0.00 -0.41 0.00 0.00 54.97 54.21 1s7a s GLU 81 Cb 0.00 -1.30 -0.02 0.00 -1.78 0.00 0.00 34.13 31.02 1s7a s GLU 81 CO 0.00 0.10 -0.23 0.42 -0.49 0.00 0.00 175.26 175.07 1s7a s ILE 82 N 0.38 1.83 1.30 -1.63 -1.09 -1.26 0.93 121.20 121.65 1s7a s ILE 82 Ca -0.09 -1.19 -0.20 0.00 -2.23 0.00 0.00 60.65 56.94 1s7a s ILE 82 Cb -0.13 -1.56 0.32 0.00 -1.58 0.00 0.00 42.46 39.51 1s7a s ILE 82 CO 0.02 0.33 1.03 -0.55 -1.23 0.00 0.00 174.94 174.54 1s7a s SER 83 N -1.02 0.06 0.12 3.58 0.15 -1.24 -4.92 113.70 110.43 1s7a s SER 83 Ca 0.09 0.78 0.26 0.00 0.70 0.00 0.00 55.95 57.78 1s7a s SER 83 Cb -0.09 -1.11 0.72 0.00 -1.71 0.00 0.00 66.02 63.84 1s7a s SER 83 CO 0.01 -4.67 1.64 -0.62 1.20 0.00 0.00 173.24 170.80 1s7a n GLU 84 N -5.15 0.20 0.07 5.44 -0.58 -1.26 -3.44 120.64 115.91 1s7a n GLU 84 Ca 0.12 0.12 0.12 0.00 -0.42 0.00 0.00 57.16 57.10 1s7a n GLU 84 Cb 0.59 -1.69 0.45 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.44 -3.06 1.62 8.00 -1.26 -4.90 116.55 115.38 1s7a n ASP 85 Ca 0.05 0.57 -0.20 0.00 0.71 0.00 0.00 54.79 55.92 1s7a n ASP 85 Cb 0.41 -0.68 0.06 0.00 -0.02 0.00 0.00 41.12 40.89 1s7a n ASP 85 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s7a n LYS 86 N -1.94 -6.53 -0.85 -1.24 5.02 -1.22 -4.89 118.16 106.51 1s7a n LYS 86 Ca 0.04 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1s7a n LYS 86 Cb 0.29 -5.35 -0.00 0.00 -0.02 0.00 0.00 35.03 29.95 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 -4.59 0.00 -3.47 -0.18 5.66 -1.26 -4.83 114.28 105.60 1s7a n THR 87 Ca 0.00 -0.29 -0.14 0.00 -3.05 0.00 0.00 64.05 60.57 1s7a n THR 87 Cb 0.55 0.57 -0.03 0.00 -1.55 0.00 0.00 70.33 69.86 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 0.05 1.09 -2.85 -1.26 -3.62 119.74 114.27 1s7a s LYS 88 Ca 0.10 -0.18 0.03 0.00 -1.00 0.00 0.00 55.97 54.92 1s7a s LYS 88 Cb 0.11 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.38 1s7a s LYS 88 CO -0.05 -0.44 -0.09 0.96 0.10 0.00 0.00 175.35 175.82 1s7a s ILE 89 N -2.70 0.68 0.09 3.79 -4.36 0.40 -3.73 121.20 115.37 1s7a s ILE 89 Ca -0.03 -1.20 -0.14 0.00 -0.26 0.00 0.00 60.65 59.03 1s7a s ILE 89 Cb -0.01 -0.79 0.02 0.00 1.25 0.00 0.00 42.46 42.93 1s7a s ILE 89 CO -0.04 -0.39 0.32 -0.60 0.24 0.00 0.00 174.94 174.47 1s7a s ARG 90 N -1.80 0.94 -0.04 0.37 3.52 0.26 -0.73 118.95 121.48 1s7a s ARG 90 Ca -0.06 -0.72 -0.16 0.00 -0.13 0.00 0.00 55.73 54.65 1s7a s ARG 90 Cb -0.09 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 1s7a s ARG 90 CO 0.00 -0.34 0.42 0.50 -0.81 0.00 0.00 175.30 175.08 1s7a s ARG 91 N -3.51 4.07 -0.34 5.12 3.52 -1.26 0.14 118.95 126.68 1s7a s ARG 91 Ca 0.02 0.40 -0.28 0.00 -0.13 0.00 0.00 55.73 55.74 1s7a s ARG 91 Cb 0.02 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 1s7a s ARG 91 CO -0.10 0.51 2.00 -1.12 -0.81 0.00 0.00 175.30 175.79 1s7a s SER 92 N -0.51 5.55 0.56 -2.12 0.01 -1.26 -4.79 113.70 111.14 1s7a s SER 92 Ca 0.24 1.37 0.32 0.00 1.31 0.00 0.00 55.95 59.19 1s7a s SER 92 Cb -0.16 -2.52 1.67 0.00 0.21 0.00 0.00 66.02 65.22 1s7a s SER 92 CO 0.12 -1.97 2.14 1.55 0.41 0.00 0.00 173.24 175.49 1s7a h PRO 93 N 14.44 0.00 -0.06 12.44 0.13 -1.98 0.20 132.00 157.16 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 0.07 0.00 0.43 -0.23 0.00 0.00 178.00 179.31 1s7a n SER 94 N -3.49 1.00 -4.29 1.44 7.64 -1.26 -4.78 113.62 109.89 1s7a n SER 94 Ca -0.02 -1.48 -0.32 0.00 1.01 0.00 0.00 58.87 58.06 1s7a n SER 94 Cb 0.20 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.92 2.85 0.54 1.43 -0.14 0.06 -5.11 119.74 117.45 1s7a s LYS 95 Ca 0.35 -0.84 -0.20 0.00 -1.36 0.00 0.00 55.97 53.92 1s7a s LYS 95 Cb 0.18 -2.30 -0.06 0.00 -1.68 0.00 0.00 37.83 33.97 1s7a s LYS 95 CO 0.29 0.31 1.17 -1.25 -0.76 0.00 0.00 175.35 175.10 1s7a s PRO 96 N 0.04 3.33 -0.17 -1.68 0.04 -1.26 -4.82 135.00 130.49 1s7a s PRO 96 Ca -0.09 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.69 1s7a s PRO 96 Cb -0.15 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1s7a s PRO 96 CO 0.06 -0.89 -0.17 -0.48 0.04 0.00 0.00 177.00 175.56 1s7a s LEU 97 N -3.69 2.02 0.28 -3.56 0.05 -1.26 -5.11 118.68 107.40 1s7a s LEU 97 Ca 0.72 -0.63 -0.02 0.00 0.05 0.00 0.00 54.13 54.25 1s7a s LEU 97 Cb -0.27 -1.35 -0.04 0.00 -2.05 0.00 0.00 46.19 42.48 1s7a s LEU 97 CO 0.31 -0.04 0.50 -2.16 -0.55 0.00 0.00 176.35 174.41 1s7a s PRO 98 N 1.37 3.55 -0.51 1.48 0.04 -1.26 -4.89 135.00 134.78 1s7a s PRO 98 Ca 0.04 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 60.85 1s7a s PRO 98 Cb -0.13 -2.71 0.13 0.00 0.04 0.00 0.00 34.50 31.82 1s7a s PRO 98 CO -0.11 0.25 0.30 -2.00 0.04 0.00 0.00 177.00 175.48 1s7a s GLU 99 N -3.72 2.19 0.12 4.56 2.12 -1.26 -4.56 118.70 118.15 1s7a s GLU 99 Ca 0.41 -2.22 -0.29 0.00 0.36 0.00 0.00 54.97 53.23 1s7a s GLU 99 Cb -0.10 -3.58 -0.06 0.00 0.26 0.00 0.00 34.13 30.64 1s7a s GLU 99 CO 0.32 -1.11 0.92 0.14 -0.54 0.00 0.00 175.26 174.99 1s7a s VAL 100 N 0.45 4.47 -0.16 3.70 -7.23 -1.26 -5.04 120.40 115.33 1s7a s VAL 100 Ca 0.13 2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 62.29 1s7a s VAL 100 Cb -0.22 -4.29 -0.01 0.00 0.56 0.00 0.00 36.38 32.42 1s7a s VAL 100 CO -0.04 0.35 -0.10 0.42 -0.31 0.00 0.00 175.10 175.43 1s7a s THR 101 N -0.20 3.20 -0.14 5.32 -4.23 -1.26 -4.95 115.64 113.38 1s7a s THR 101 Ca 0.45 -0.59 -0.29 0.00 -1.18 0.00 0.00 61.69 60.07 1s7a s THR 101 Cb -0.23 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1s7a s THR 101 CO 0.29 0.49 1.14 -1.81 -0.54 0.00 0.00 174.62 174.19 1s7a s ASP 102 N 0.69 7.07 0.00 3.99 1.11 -1.26 -5.29 116.67 122.98 1s7a s ASP 102 Ca -0.05 1.61 0.00 0.00 0.18 0.00 0.00 52.55 54.29 1s7a s ASP 102 Cb -0.15 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.29 1s7a s ASP 102 CO 0.02 -0.63 0.47 -1.84 1.18 0.00 0.00 175.17 174.37