#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 -0.31 3.04 0.00 -1.26 -5.14 120.51 116.85 1s7a n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1s7a n ALA 2 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 -4.15 -1.92 0.00 -0.58 -1.26 -5.00 120.64 107.73 1s7a n GLU 3 Ca 0.00 -1.22 -0.01 0.00 -0.42 0.00 0.00 57.16 55.51 1s7a n GLU 3 Cb 0.00 -1.99 0.05 0.00 -0.57 0.00 0.00 31.44 28.93 1s7a n GLU 3 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1s7a n ASN 4 N -5.52 -0.63 -4.06 1.62 5.15 -1.26 -4.98 115.26 105.59 1s7a n ASN 4 Ca 0.10 -1.49 -0.30 0.00 -0.60 0.00 0.00 54.58 52.29 1s7a n ASN 4 Cb 0.58 0.29 -0.02 0.00 -0.53 0.00 0.00 39.78 40.10 1s7a n ASN 4 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s7a n GLY 5 N -0.63 -0.35 0.99 8.20 0.00 -1.26 -4.82 105.19 107.32 1s7a n GLY 5 Ca -0.08 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1s7a n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s7a n ASP 6 N -2.83 3.60 -3.38 1.61 9.92 -1.26 -4.70 116.55 119.51 1s7a n ASP 6 Ca -0.11 -2.22 -0.26 0.00 -0.53 0.00 0.00 54.79 51.67 1s7a n ASP 6 Cb 0.59 -0.39 -0.09 0.00 -0.64 0.00 0.00 41.12 40.59 1s7a n ASP 6 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1s7a n ASN 7 N 0.72 1.06 -0.04 -2.24 0.23 -1.26 -4.94 115.26 108.79 1s7a n ASN 7 Ca 0.18 -2.82 -0.15 0.00 -0.53 0.00 0.00 54.58 51.27 1s7a n ASN 7 Cb 0.61 -0.64 -0.09 0.00 -2.08 0.00 0.00 39.78 37.59 1s7a n ASN 7 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1s7a h GLU 8 N 4.66 0.38 0.18 -3.83 4.39 -1.98 0.48 114.58 118.85 1s7a h GLU 8 Ca 0.16 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1s7a h GLU 8 Cb 0.83 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1s7a h GLU 8 CO 0.54 0.90 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.98 1s7a h LYS 9 N -0.07 -0.23 -0.39 2.33 3.11 -2.00 -1.92 116.57 117.39 1s7a h LYS 9 Ca -0.01 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1s7a h LYS 9 Cb 0.92 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.19 1s7a h LYS 9 CO 0.06 -0.04 -0.14 0.52 -2.81 0.00 0.00 179.45 177.05 1s7a h MET 10 N -0.38 0.71 -0.74 1.90 2.86 -1.97 -2.16 114.93 115.16 1s7a h MET 10 Ca -0.02 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.40 1s7a h MET 10 Cb 0.30 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 1s7a h MET 10 CO 0.04 0.82 0.47 0.00 1.06 0.00 0.00 176.91 179.30 1s7a h ALA 11 N 1.20 0.97 -0.09 6.32 0.00 -0.74 -1.56 119.26 125.36 1s7a h ALA 11 Ca 0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1s7a h ALA 11 Cb 0.60 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1s7a h ALA 11 CO 0.04 0.26 -0.54 0.00 0.00 0.00 0.00 179.25 179.01 1s7a h ALA 12 N 1.31 0.91 -0.59 0.00 0.00 -1.13 -2.77 119.26 117.00 1s7a h ALA 12 Ca 0.30 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s7a h ALA 12 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1s7a h ALA 12 CO -0.11 0.69 0.38 1.25 0.00 0.00 0.00 179.25 181.46 1s7a h LEU 13 N 0.20 0.69 -0.33 0.00 6.46 -0.65 0.53 115.31 122.21 1s7a h LEU 13 Ca 0.00 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.64 1s7a h LEU 13 Cb 1.02 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1s7a h LEU 13 CO 0.09 0.51 -0.14 -0.08 -0.62 0.00 0.00 178.44 178.20 1s7a h GLU 14 N 0.80 0.69 -0.21 1.25 4.81 -1.31 -2.86 114.58 117.75 1s7a h GLU 14 Ca 0.22 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 1s7a h GLU 14 Cb -0.07 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1s7a h GLU 14 CO -0.04 0.89 -0.46 0.00 -0.73 0.00 0.00 179.01 178.66 1s7a h ALA 15 N 0.78 0.81 -0.69 2.92 0.00 -1.21 -3.07 119.26 118.80 1s7a h ALA 15 Ca 0.08 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1s7a h ALA 15 Cb 0.67 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1s7a h ALA 15 CO 0.05 0.66 0.44 0.87 0.00 0.00 0.00 179.25 181.26 1s7a h LYS 16 N 0.44 0.84 -0.50 0.00 1.57 0.13 -1.88 116.57 117.17 1s7a h LYS 16 Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1s7a h LYS 16 Cb 0.97 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1s7a h LYS 16 CO 0.09 0.55 0.26 0.82 -0.57 0.00 0.00 179.45 180.60 1s7a h ILE 17 N 0.86 1.18 -0.89 1.86 2.04 -1.43 -2.46 117.51 118.67 1s7a h ILE 17 Ca 0.27 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1s7a h ILE 17 Cb -0.01 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 1s7a h ILE 17 CO -0.10 0.20 0.58 0.00 0.00 0.00 0.00 178.15 178.83 1s7a h HIS 19 N 1.15 0.78 -0.11 0.00 6.17 -0.87 -0.94 115.15 121.33 1s7a h HIS 19 Ca 0.34 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.43 1s7a h HIS 19 Cb -0.05 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 29.62 1s7a h HIS 19 CO -0.00 0.42 0.04 1.96 0.71 0.00 0.00 177.93 181.07 1s7a h GLN 20 N 0.78 0.17 -0.65 5.26 4.20 -1.19 -1.38 115.11 122.30 1s7a h GLN 20 Ca 0.31 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.04 1s7a h GLN 20 Cb 0.22 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1s7a h GLN 20 CO -0.10 0.27 0.43 0.82 -0.67 0.00 0.00 178.83 179.58 1s7a h ILE 21 N 0.02 1.04 -0.39 2.54 1.08 -1.28 1.00 117.51 121.52 1s7a h ILE 21 Ca 0.04 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.24 1s7a h ILE 21 Cb 0.17 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 1s7a h ILE 21 CO -0.00 0.13 0.13 -0.33 -0.69 0.00 0.00 178.15 177.38 1s7a h GLU 22 N 0.70 0.55 -0.53 2.37 5.08 -0.38 -1.52 114.58 120.84 1s7a h GLU 22 Ca 0.27 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1s7a h GLU 22 Cb 0.20 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1s7a h GLU 22 CO -0.08 0.48 0.34 -0.92 -1.00 0.00 0.00 179.01 177.84 1s7a h TYR 23 N 0.55 0.68 0.10 4.33 3.20 0.26 6.50 116.97 132.58 1s7a h TYR 23 Ca 0.13 0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.73 1s7a h TYR 23 Cb 0.16 -0.23 0.03 0.00 1.54 0.00 0.00 36.73 38.23 1s7a h TYR 23 CO 0.01 0.44 -1.19 1.88 -1.64 0.00 0.00 178.16 177.66 1s7a h TYR 24 N 0.72 1.00 0.00 -3.82 0.05 -1.43 -3.19 116.97 110.30 1s7a h TYR 24 Ca 0.19 -0.62 -0.08 0.00 0.05 0.00 0.00 58.73 58.28 1s7a h TYR 24 Cb -0.06 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 1s7a h TYR 24 CO -0.03 1.46 -1.79 1.19 -1.05 0.00 0.00 178.16 177.94 1s7a n PHE 25 N -3.83 0.32 0.00 4.88 3.72 -0.60 -2.49 117.46 119.46 1s7a n PHE 25 Ca -0.13 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1s7a n PHE 25 Cb 0.96 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.34 0.45 4.75 1.37 0.00 2.10 -4.37 105.19 110.84 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 2.00 0.00 -0.05 1.61 8.00 -1.26 -4.61 116.55 122.24 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 -0.92 -0.13 0.00 -0.02 0.00 0.00 41.12 40.05 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 0.09 0.07 1.24 3.57 -1.79 -3.34 116.94 116.77 1s7a h PHE 28 Ca 0.00 -0.06 -0.24 0.00 3.53 0.00 0.00 57.97 61.19 1s7a h PHE 28 Cb 0.00 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1s7a h PHE 28 CO 0.00 1.07 -1.08 -0.91 -2.23 0.00 0.00 178.31 175.16 1s7a h ASN 29 N -0.90 0.36 -0.94 0.41 -0.26 -1.56 -3.33 115.58 109.35 1s7a h ASN 29 Ca -0.04 -0.34 0.06 0.00 -0.56 0.00 0.00 56.30 55.41 1s7a h ASN 29 Cb 1.12 -0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 38.21 1s7a h ASN 29 CO 0.02 1.22 0.61 -0.07 -1.06 0.00 0.00 177.43 178.14 1s7a h LEU 30 N 0.10 0.97 -1.12 1.61 4.07 -1.65 3.84 115.31 123.13 1s7a h LEU 30 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1s7a h LEU 30 Cb 1.78 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.31 1s7a h LEU 30 CO 0.17 0.64 0.05 -2.65 -1.08 0.00 0.00 178.44 175.58 1s7a n PRO 31 N -4.48 0.11 0.00 1.13 -0.02 -1.25 -3.25 135.00 127.24 1s7a n PRO 31 Ca 0.14 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1s7a n PRO 31 Cb 0.16 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.10 0.00 -1.57 -0.52 0.63 -0.52 -5.06 116.66 107.52 1s7a n ARG 32 Ca -0.01 -0.04 -0.33 0.00 -0.92 0.00 0.00 57.85 56.54 1s7a n ARG 32 Cb 0.08 -0.17 -0.03 0.00 0.45 0.00 0.00 32.46 32.78 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 4.37 0.01 6.15 1.11 1.26 -4.79 116.67 124.79 1s7a s ASP 33 Ca 0.00 0.93 -0.22 0.00 0.18 0.00 0.00 52.55 53.44 1s7a s ASP 33 Cb 0.00 -2.51 -0.17 0.00 1.07 0.00 0.00 42.92 41.31 1s7a s ASP 33 CO 0.00 -3.01 1.29 0.07 1.18 0.00 0.00 175.17 174.71 1s7a h LYS 34 N 18.66 0.24 -0.43 8.23 -0.00 -1.92 -1.74 116.57 139.60 1s7a h LYS 34 Ca -0.21 -0.14 -0.08 0.00 -0.00 0.00 0.00 60.65 60.22 1s7a h LYS 34 Cb 1.23 0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.46 1s7a h LYS 34 CO 1.14 0.69 -0.04 0.27 -0.00 0.00 0.00 179.45 181.51 1s7a h PHE 35 N -0.19 0.88 -0.49 0.07 -5.15 -1.98 -2.57 116.94 107.51 1s7a h PHE 35 Ca 0.01 -0.17 -0.04 0.00 -0.20 0.00 0.00 57.97 57.58 1s7a h PHE 35 Cb 0.66 -0.22 -0.02 0.00 0.22 0.00 0.00 35.95 36.58 1s7a h PHE 35 CO 0.10 0.87 0.15 1.25 -2.00 0.00 0.00 178.31 178.68 1s7a h LEU 36 N 0.62 0.66 -1.57 2.10 7.12 -1.95 -1.14 115.31 121.16 1s7a h LEU 36 Ca 0.12 -0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 1s7a h LEU 36 Cb 0.56 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 1s7a h LEU 36 CO 0.03 0.63 -0.11 0.50 -0.13 0.00 0.00 178.44 179.36 1s7a h LYS 37 N 0.71 0.14 -0.15 1.25 1.63 -1.03 0.33 116.57 119.45 1s7a h LYS 37 Ca 0.16 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1s7a h LYS 37 Cb 0.21 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1s7a h LYS 37 CO -0.01 0.26 0.01 1.49 -3.45 0.00 0.00 179.45 177.76 1s7a h GLU 38 N 0.14 0.25 -0.05 1.90 4.57 -0.82 0.92 114.58 121.49 1s7a h GLU 38 Ca 0.03 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1s7a h GLU 38 Cb 0.29 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1s7a h GLU 38 CO 0.02 0.45 -0.10 1.96 -1.18 0.00 0.00 179.01 180.16 1s7a h GLN 39 N 0.01 0.15 -0.91 1.92 1.08 -1.24 0.16 115.11 116.29 1s7a h GLN 39 Ca 0.04 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1s7a h GLN 39 Cb 0.33 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 1s7a h GLN 39 CO 0.00 0.68 0.60 0.97 -0.95 0.00 0.00 178.83 180.13 1s7a h ILE 40 N -0.35 1.18 0.00 2.54 2.10 -0.97 -2.08 117.51 119.92 1s7a h ILE 40 Ca 0.00 -0.40 -0.19 0.00 1.08 0.00 0.00 64.86 65.35 1s7a h ILE 40 Cb 0.67 -0.10 -0.03 0.00 -1.09 0.00 0.00 36.82 36.28 1s7a h ILE 40 CO 0.02 0.21 -0.91 0.50 -1.08 0.00 0.00 178.15 176.90 1s7a h LYS 41 N 1.17 0.00 0.00 2.19 3.11 -0.79 -0.25 116.57 122.00 1s7a h LYS 41 Ca 0.35 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1s7a h LYS 41 Cb -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.20 1s7a h LYS 41 CO -0.10 0.91 0.00 1.28 -2.81 0.00 0.00 179.45 178.73 1s7a n LEU 42 N -3.37 0.00 0.00 5.20 4.77 0.56 -4.77 117.00 119.39 1s7a n LEU 42 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1s7a n LEU 42 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1s7a n LEU 42 CO 0.46 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.85 1s7a n ASP 43 N 0.00 0.00 -2.71 -1.43 2.03 -1.23 -4.82 116.55 108.38 1s7a n ASP 43 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 1s7a n ASP 43 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1s7a n ASP 43 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1s7a n GLU 44 N 0.00 2.92 -1.78 -0.67 2.13 -1.26 -4.81 120.64 117.17 1s7a n GLU 44 Ca 0.00 -3.72 -0.02 0.00 0.66 0.00 0.00 57.16 54.07 1s7a n GLU 44 Cb 0.00 -2.27 0.01 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 -0.58 0.56 2.79 8.31 0.00 -0.11 -5.05 105.19 111.11 1s7a n GLY 45 Ca 0.52 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.06 -0.43 -0.06 1.61 0.52 -1.26 -4.48 118.94 111.79 1s7a s TRP 46 Ca 0.07 0.28 -0.03 0.00 0.02 0.00 0.00 56.10 56.43 1s7a s TRP 46 Cb -0.01 -0.30 -0.04 0.00 -1.15 0.00 0.00 33.47 31.97 1s7a s TRP 46 CO 0.12 -0.69 0.11 0.54 0.02 0.00 0.00 176.95 177.05 1s7a s VAL 47 N 2.38 5.07 0.12 4.03 0.11 0.31 -4.74 120.40 127.69 1s7a s VAL 47 Ca 0.09 -0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 58.83 1s7a s VAL 47 Cb -0.15 -3.27 -0.07 0.00 -1.53 0.00 0.00 36.38 31.36 1s7a s VAL 47 CO -0.17 0.47 0.59 -2.16 -3.33 0.00 0.00 175.10 170.50 1s7a s PRO 48 N -1.42 4.15 0.00 1.54 0.04 -1.26 0.18 135.00 138.23 1s7a s PRO 48 Ca 0.20 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1s7a s PRO 48 Cb -0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1s7a s PRO 48 CO 0.10 0.55 0.47 1.28 0.04 0.00 0.00 177.00 179.44 1s7a n LEU 49 N 1.26 0.00 -0.14 -3.56 4.32 -1.22 -2.43 117.00 115.23 1s7a n LEU 49 Ca -0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.84 1s7a n LEU 49 Cb 0.51 -0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.32 1s7a n LEU 49 CO 0.42 -0.00 1.05 1.05 -1.22 0.00 0.00 177.39 178.69 1s7a h GLU 50 N 0.00 0.58 -0.35 3.23 4.11 -1.91 1.89 114.58 122.13 1s7a h GLU 50 Ca 0.00 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.27 1s7a h GLU 50 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1s7a h GLU 50 CO 0.00 0.39 -0.29 0.82 0.07 0.00 0.00 179.01 180.00 1s7a h ILE 51 N 0.60 1.28 0.05 -1.06 2.04 -1.89 -2.66 117.51 115.87 1s7a h ILE 51 Ca 0.16 -1.43 -0.14 0.00 1.00 0.00 0.00 64.86 64.45 1s7a h ILE 51 Cb -0.06 1.32 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1s7a h ILE 51 CO -0.03 0.47 -0.60 0.24 0.00 0.00 0.00 178.15 178.23 1s7a h MET 52 N 0.64 0.31 0.00 2.37 2.86 -1.56 -1.61 114.93 117.93 1s7a h MET 52 Ca 0.08 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1s7a h MET 52 Cb 0.81 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1s7a h MET 52 CO 0.07 1.12 0.00 0.44 1.06 0.00 0.00 176.91 179.60 1s7a n ILE 53 N -4.25 0.29 0.00 -1.22 -6.64 0.64 -2.13 119.36 106.06 1s7a n ILE 53 Ca -0.12 0.07 0.00 0.00 -1.77 0.00 0.00 62.75 60.94 1s7a n ILE 53 Cb 0.69 -0.88 0.00 0.00 -1.44 0.00 0.00 39.64 38.02 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 -1.12 4.76 -2.13 6.28 -0.00 -1.00 -4.26 118.16 120.69 1s7a n LYS 54 Ca 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.00 1s7a n LYS 54 Cb 0.06 -0.64 -0.00 0.00 -0.00 0.00 0.00 35.03 34.45 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 -1.28 2.81 0.54 5.58 0.08 -0.61 -4.62 117.98 120.48 1s7a s PHE 55 Ca 0.00 1.47 0.37 0.00 0.12 0.00 0.00 56.93 58.89 1s7a s PHE 55 Cb 0.00 -3.54 2.01 0.00 -0.57 0.00 0.00 43.02 40.92 1s7a s PHE 55 CO 0.00 -1.87 2.26 -0.91 -0.10 0.00 0.00 175.22 174.60 1s7a h ASN 56 N 2.31 0.00 0.68 1.36 4.21 -1.90 1.39 115.58 123.62 1s7a h ASN 56 Ca -0.49 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 56.84 1s7a h ASN 56 Cb 1.25 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.43 1s7a h ASN 56 CO 0.61 0.02 -0.79 -0.09 -1.29 0.00 0.00 177.43 175.89 1s7a h ARG 57 N 0.00 0.08 0.00 0.81 9.65 -1.90 -3.21 114.38 119.82 1s7a h ARG 57 Ca -0.00 -0.08 -0.17 0.00 -1.10 0.00 0.00 59.98 58.63 1s7a h ARG 57 Cb 0.11 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 1s7a h ARG 57 CO 0.00 0.83 -1.60 -0.11 2.80 0.00 0.00 179.97 181.88 1s7a n LEU 58 N -3.66 2.32 0.30 3.80 7.94 -0.66 -4.53 117.00 122.51 1s7a n LEU 58 Ca -0.02 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.07 1s7a n LEU 58 Cb 0.75 -0.35 1.01 0.00 0.53 0.00 0.00 43.42 45.35 1s7a n LEU 58 CO 0.45 0.54 1.16 -1.13 -1.11 0.00 0.00 177.39 177.30 1s7a h ASN 59 N -0.12 0.00 0.22 1.96 -0.73 0.18 0.90 115.58 117.99 1s7a h ASN 59 Ca -0.25 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.92 1s7a h ASN 59 Cb 1.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.92 1s7a h ASN 59 CO -0.08 0.00 0.00 -1.14 -0.37 0.00 0.00 177.43 175.84 1s7a n ARG 60 N -3.32 0.21 0.00 6.67 0.63 -1.21 -4.42 116.66 115.22 1s7a n ARG 60 Ca -0.02 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1s7a n ARG 60 Cb 0.20 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.61 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 -1.26 0.00 -4.64 6.15 4.32 0.29 -5.11 117.00 116.75 1s7a n LEU 61 Ca 0.07 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.73 1s7a n LEU 61 Cb 0.10 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.80 1s7a n LEU 61 CO 0.10 0.00 -0.35 -0.89 -1.22 0.00 0.00 177.39 175.02 1s7a s THR 62 N 0.00 3.89 0.00 -5.08 2.01 -1.07 -4.99 115.64 110.40 1s7a s THR 62 Ca 0.00 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1s7a s THR 62 Cb 0.00 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1s7a s THR 62 CO 0.00 0.37 0.36 0.35 -0.69 0.00 0.00 174.62 175.01 1s7a n THR 63 N 1.41 0.00 -2.78 -0.82 -2.24 -1.26 -4.13 114.28 104.46 1s7a n THR 63 Ca -0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 1s7a n THR 63 Cb 0.53 1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 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 6.29 0.27 3.42 1.01 -1.26 -4.90 116.67 121.50 1s7a s ASP 64 Ca 0.00 -0.46 0.03 0.00 0.71 0.00 0.00 52.55 52.83 1s7a s ASP 64 Cb 0.00 -2.46 0.70 0.00 1.01 0.00 0.00 42.92 42.17 1s7a s ASP 64 CO 0.00 -1.38 1.31 0.49 0.21 0.00 0.00 175.17 175.80 1s7a n PHE 65 N 7.86 0.59 -0.15 4.23 3.72 -1.26 0.13 117.46 132.58 1s7a n PHE 65 Ca 0.01 1.01 -0.11 0.00 -0.05 0.00 0.00 57.45 58.31 1s7a n PHE 65 Cb 0.47 -1.16 -0.01 0.00 -0.94 0.00 0.00 39.48 37.84 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 0.78 -0.17 4.37 -0.26 -1.94 0.30 115.58 118.67 1s7a h ASN 66 Ca 0.53 -0.34 -0.10 0.00 -0.56 0.00 0.00 56.30 55.84 1s7a h ASN 66 Cb 1.14 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 38.19 1s7a h ASN 66 CO -0.77 0.93 -0.27 0.58 -1.06 0.00 0.00 177.43 176.84 1s7a h VAL 67 N 0.61 1.35 -0.17 2.81 2.07 0.69 -0.69 116.25 122.92 1s7a h VAL 67 Ca 0.11 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 1s7a h VAL 67 Cb 0.56 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1s7a h VAL 67 CO 0.03 0.45 -0.06 -0.29 0.02 0.00 0.00 177.57 177.73 1s7a h ILE 68 N 0.12 1.30 -0.29 4.57 -0.00 0.05 -3.00 117.51 120.26 1s7a h ILE 68 Ca 0.01 -1.06 -0.08 0.00 -0.00 0.00 0.00 64.86 63.73 1s7a h ILE 68 Cb 0.86 1.65 -0.02 0.00 -0.00 0.00 0.00 36.82 39.31 1s7a h ILE 68 CO 0.06 0.31 -0.17 1.62 -0.00 0.00 0.00 178.15 179.98 1s7a h VAL 69 N 0.03 1.25 -0.11 2.19 3.04 -0.45 -0.10 116.25 122.10 1s7a h VAL 69 Ca 0.04 -1.13 0.02 0.00 -1.01 0.00 0.00 66.70 64.62 1s7a h VAL 69 Cb 0.51 1.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 1s7a h VAL 69 CO 0.02 0.37 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.60 1s7a h GLU 70 N 0.47 0.01 -0.14 4.17 3.07 -1.04 2.12 114.58 123.24 1s7a h GLU 70 Ca 0.08 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.83 1s7a h GLU 70 Cb 0.57 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1s7a h GLU 70 CO 0.04 0.01 -0.39 0.00 -1.40 0.00 0.00 179.01 177.26 1s7a h ALA 71 N 1.10 1.07 -0.13 3.43 0.00 -1.38 -2.46 119.26 120.89 1s7a h ALA 71 Ca 0.05 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1s7a h ALA 71 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1s7a h ALA 71 CO -0.10 0.59 -0.70 1.25 0.00 0.00 0.00 179.25 180.29 1s7a h LEU 72 N 0.26 0.68 -1.05 0.00 7.12 0.05 -2.45 115.31 119.92 1s7a h LEU 72 Ca 0.03 -0.43 0.00 0.00 0.13 0.00 0.00 57.88 57.61 1s7a h LEU 72 Cb 0.81 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1s7a h LEU 72 CO 0.06 1.18 0.00 -1.28 -0.13 0.00 0.00 178.44 178.28 1s7a h SER 73 N 0.41 0.00 0.29 1.25 0.87 0.36 -2.82 113.55 113.92 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 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1s7a h SER 73 CO 0.13 0.00 -0.89 0.29 -0.53 0.00 0.00 176.83 175.83 1s7a n LYS 74 N -2.99 0.11 -1.13 2.24 4.76 -0.94 -4.96 118.16 115.26 1s7a n LYS 74 Ca 0.02 -0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1s7a n LYS 74 Cb 0.35 -1.53 0.11 0.00 -1.84 0.00 0.00 35.03 32.11 1s7a n LYS 74 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1s7a n SER 75 N -1.67 -0.15 -2.80 4.39 7.64 -0.94 -4.98 113.62 115.11 1s7a n SER 75 Ca 0.04 0.56 -0.10 0.00 1.01 0.00 0.00 58.87 60.37 1s7a n SER 75 Cb 0.37 -1.37 0.06 0.00 -1.01 0.00 0.00 64.21 62.27 1s7a n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s7a n LYS 76 N -2.15 1.09 -0.62 1.43 5.02 -1.26 -4.92 118.16 116.75 1s7a n LYS 76 Ca 0.11 -2.47 0.09 0.00 -2.02 0.00 0.00 58.31 54.02 1s7a n LYS 76 Cb 0.51 -0.92 0.34 0.00 -0.02 0.00 0.00 35.03 34.94 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 -0.03 3.14 -3.84 7.82 0.00 -1.26 -4.92 120.51 121.42 1s7a n ALA 77 Ca 0.08 -1.70 -0.29 0.00 0.00 0.00 0.00 53.44 51.53 1s7a n ALA 77 Cb 0.76 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 0.85 -2.00 0.00 0.00 1.02 -1.26 -4.70 120.64 114.55 1s7a n GLU 78 Ca 0.25 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1s7a n GLU 78 Cb 0.91 -4.80 0.00 0.00 -0.02 0.00 0.00 31.44 27.53 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 -3.69 0.35 -3.87 -4.62 -0.00 -1.26 -4.95 117.00 98.96 1s7a n LEU 79 Ca 0.06 -0.49 -0.09 0.00 -0.00 0.00 0.00 56.01 55.49 1s7a n LEU 79 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.86 1s7a n LEU 79 CO 0.66 0.09 0.25 -0.32 -0.00 0.00 0.00 177.39 178.07 1s7a s MET 80 N -0.29 1.50 0.04 1.96 0.00 -1.26 -3.69 119.30 117.56 1s7a s MET 80 Ca 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 55.69 54.61 1s7a s MET 80 Cb 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 34.83 35.31 1s7a s MET 80 CO 0.00 -0.64 0.03 -1.21 0.00 0.00 0.00 175.02 173.20 1s7a s GLU 81 N -3.94 0.56 0.03 4.11 0.41 -0.25 -4.81 118.70 114.81 1s7a s GLU 81 Ca 0.15 -0.92 0.09 0.00 -0.41 0.00 0.00 54.97 53.87 1s7a s GLU 81 Cb -0.01 0.21 -0.03 0.00 -1.78 0.00 0.00 34.13 32.52 1s7a s GLU 81 CO 0.03 -0.12 -0.25 0.42 -0.49 0.00 0.00 175.26 174.85 1s7a s ILE 82 N -2.98 2.23 0.00 -1.63 1.09 -1.26 -1.65 121.20 116.99 1s7a s ILE 82 Ca -0.02 -1.29 0.00 0.00 -1.10 0.00 0.00 60.65 58.24 1s7a s ILE 82 Cb 0.01 -1.86 0.00 0.00 -1.06 0.00 0.00 42.46 39.56 1s7a s ILE 82 CO -0.06 0.41 0.00 -1.54 -0.10 0.00 0.00 174.94 173.65 1s7a n SER 83 N 1.89 -1.29 0.09 3.58 3.41 -1.21 -4.93 113.62 115.16 1s7a n SER 83 Ca -0.17 -0.25 -0.20 0.00 -0.26 0.00 0.00 58.87 57.98 1s7a n SER 83 Cb 0.52 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 1s7a n SER 83 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1s7a h GLU 84 N 0.00 0.36 0.00 4.33 3.07 -2.00 -3.30 114.58 117.04 1s7a h GLU 84 Ca 0.00 -0.62 0.00 0.00 -0.50 0.00 0.00 59.36 58.24 1s7a h GLU 84 Cb 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1s7a h GLU 84 CO 0.00 1.26 0.00 -3.47 -1.40 0.00 0.00 179.01 175.40 1s7a n ASP 85 N -3.56 0.53 -2.38 1.42 -0.08 -1.26 -4.90 116.55 106.32 1s7a n ASP 85 Ca -0.19 0.61 -0.12 0.00 -1.51 0.00 0.00 54.79 53.59 1s7a n ASP 85 Cb 1.07 -0.73 0.05 0.00 2.34 0.00 0.00 41.12 43.85 1s7a n ASP 85 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1s7a n LYS 86 N -2.06 -4.24 -0.49 -0.67 3.00 -1.24 -4.93 118.16 107.52 1s7a n LYS 86 Ca 0.03 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1s7a n LYS 86 Cb 0.25 -4.48 0.01 0.00 0.00 0.00 0.00 35.03 30.81 1s7a n LYS 86 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1s7a n THR 87 N -3.33 0.09 -3.46 3.15 -2.24 -1.26 -4.94 114.28 102.29 1s7a n THR 87 Ca -0.09 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1s7a n THR 87 Cb 0.57 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1s7a n THR 87 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1s7a s LYS 88 N -0.14 1.15 0.09 -0.78 -2.85 -1.26 -3.45 119.74 112.50 1s7a s LYS 88 Ca 0.02 -0.27 0.02 0.00 -1.00 0.00 0.00 55.97 54.74 1s7a s LYS 88 Cb 0.02 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1s7a s LYS 88 CO 0.00 -0.47 -0.07 0.96 0.10 0.00 0.00 175.35 175.87 1s7a s ILE 89 N -3.02 0.70 0.09 3.79 -4.36 0.49 -3.34 121.20 115.55 1s7a s ILE 89 Ca -0.01 -1.77 -0.13 0.00 -0.26 0.00 0.00 60.65 58.48 1s7a s ILE 89 Cb -0.01 -1.48 0.02 0.00 1.25 0.00 0.00 42.46 42.25 1s7a s ILE 89 CO -0.07 -0.76 0.31 0.00 0.24 0.00 0.00 174.94 174.66 1s7a s ARG 90 N -3.36 0.92 0.06 0.37 1.70 -0.66 -0.53 118.95 117.46 1s7a s ARG 90 Ca 0.08 -0.72 -0.23 0.00 -0.47 0.00 0.00 55.73 54.39 1s7a s ARG 90 Cb 0.02 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.73 1s7a s ARG 90 CO -0.03 -0.32 0.70 0.50 -1.08 0.00 0.00 175.30 175.07 1s7a s ARG 91 N -3.44 4.43 -0.33 3.89 3.52 -1.26 -1.09 118.95 124.67 1s7a s ARG 91 Ca 0.01 0.97 -0.28 0.00 -0.13 0.00 0.00 55.73 56.30 1s7a s ARG 91 Cb 0.02 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1s7a s ARG 91 CO -0.09 0.41 2.00 -1.54 -0.81 0.00 0.00 175.30 175.27 1s7a s SER 92 N -0.45 5.55 0.60 -2.12 1.04 -1.24 -4.78 113.70 112.30 1s7a s SER 92 Ca 0.35 1.38 0.35 0.00 0.48 0.00 0.00 55.95 58.52 1s7a s SER 92 Cb -0.20 -2.52 1.92 0.00 0.10 0.00 0.00 66.02 65.32 1s7a s SER 92 CO 0.22 -1.96 2.23 1.55 0.98 0.00 0.00 173.24 176.25 1s7a h PRO 93 N 14.42 0.00 0.00 4.02 0.13 -1.96 0.94 132.00 149.55 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 0.03 0.00 0.43 -0.23 0.00 0.00 178.00 179.27 1s7a n SER 94 N -3.43 0.00 -4.27 1.44 7.64 -1.26 -4.66 113.62 109.08 1s7a n SER 94 Ca -0.02 -0.26 -0.32 0.00 1.01 0.00 0.00 58.87 59.28 1s7a n SER 94 Cb 0.14 -0.21 -0.16 0.00 -1.01 0.00 0.00 64.21 62.97 1s7a n SER 94 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1s7a s LYS 95 N -2.42 2.93 0.52 1.43 2.20 0.32 -5.11 119.74 119.61 1s7a s LYS 95 Ca 0.27 -0.85 -0.21 0.00 -0.36 0.00 0.00 55.97 54.83 1s7a s LYS 95 Cb 0.17 -2.31 -0.06 0.00 -1.51 0.00 0.00 37.83 34.11 1s7a s LYS 95 CO 0.35 0.27 1.14 -1.25 -0.36 0.00 0.00 175.35 175.51 1s7a s PRO 96 N 0.14 3.48 -0.19 4.03 0.04 -1.26 -4.84 135.00 136.40 1s7a s PRO 96 Ca -0.12 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.61 1s7a s PRO 96 Cb -0.16 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.28 1s7a s PRO 96 CO 0.06 -0.76 -0.14 -0.48 0.04 0.00 0.00 177.00 175.72 1s7a s LEU 97 N -3.55 2.21 0.33 -3.56 0.05 -1.26 -5.06 118.68 107.84 1s7a s LEU 97 Ca 0.70 -0.77 -0.04 0.00 0.05 0.00 0.00 54.13 54.06 1s7a s LEU 97 Cb -0.26 -1.32 -0.05 0.00 -2.05 0.00 0.00 46.19 42.52 1s7a s LEU 97 CO 0.30 -0.09 0.59 -2.16 -0.55 0.00 0.00 176.35 174.44 1s7a s PRO 98 N 1.36 3.60 0.07 1.48 0.04 -1.26 -4.94 135.00 135.34 1s7a s PRO 98 Ca 0.01 -0.03 0.04 0.00 0.04 0.00 0.00 61.00 61.07 1s7a s PRO 98 Cb -0.15 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1s7a s PRO 98 CO -0.10 0.14 -0.00 -2.00 0.04 0.00 0.00 177.00 175.08 1s7a s GLU 99 N -3.87 2.61 0.03 4.56 2.12 -1.26 -4.59 118.70 118.29 1s7a s GLU 99 Ca 0.44 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 55.01 1s7a s GLU 99 Cb -0.10 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 1s7a s GLU 99 CO 0.33 0.56 0.02 0.14 -0.54 0.00 0.00 175.26 175.77 1s7a s VAL 100 N -1.25 4.26 -0.12 3.70 -7.23 -1.26 -5.11 120.40 113.39 1s7a s VAL 100 Ca 0.24 -0.67 -0.05 0.00 -1.81 0.00 0.00 61.98 59.69 1s7a s VAL 100 Cb -0.12 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 1s7a s VAL 100 CO 0.16 0.29 0.05 0.42 -0.31 0.00 0.00 175.10 175.71 1s7a s THR 101 N -1.19 4.71 -0.36 5.32 -4.23 -1.26 -5.07 115.64 113.56 1s7a s THR 101 Ca 0.23 -0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.45 1s7a s THR 101 Cb -0.12 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1s7a s THR 101 CO 0.14 0.56 0.65 -0.62 -0.54 0.00 0.00 174.62 174.82 1s7a s ASP 102 N -0.51 6.43 0.00 3.99 2.15 -1.26 -5.33 116.67 122.14 1s7a s ASP 102 Ca 0.10 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1s7a s ASP 102 Cb -0.12 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1s7a s ASP 102 CO 0.02 -0.62 0.25 1.21 -0.17 0.00 0.00 175.17 175.86