#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx7 n VAL 2 N 0.00 0.00 0.00 -1.45 0.31 -1.26 -4.83 118.33 111.10 1mx7 n VAL 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1mx7 n VAL 2 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1mx7 n VAL 2 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1mx7 n ASP 3 N 2.51 0.00 0.00 4.52 8.00 -1.26 -4.78 116.55 125.54 1mx7 n ASP 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1mx7 n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1mx7 n ASP 3 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1mx7 n PHE 4 N 0.00 0.00 -1.31 1.24 3.01 -1.26 -4.48 117.46 114.66 1mx7 n PHE 4 Ca 0.00 0.00 -0.56 0.00 1.01 0.00 0.00 57.45 57.90 1mx7 n PHE 4 Cb 0.00 -0.03 -0.10 0.00 -0.01 0.00 0.00 39.48 39.34 1mx7 n PHE 4 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1mx7 n ASN 5 N 0.36 0.86 -3.61 4.37 6.94 -1.26 -4.87 115.26 118.06 1mx7 n ASN 5 Ca 0.00 0.82 -0.01 0.00 -0.02 0.00 0.00 54.58 55.36 1mx7 n ASN 5 Cb 0.00 -0.77 -0.01 0.00 -2.36 0.00 0.00 39.78 36.63 1mx7 n ASN 5 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1mx7 s GLY 6 N 3.88 -0.34 0.01 4.83 0.00 -0.62 -4.96 107.32 110.11 1mx7 s GLY 6 Ca 0.98 1.28 -0.11 0.00 0.00 0.00 0.00 44.72 46.86 1mx7 s GLY 6 CO 0.65 0.38 0.35 -0.19 0.00 0.00 0.00 173.10 174.28 1mx7 s TYR 7 N -2.35 3.65 -0.43 1.90 2.02 -1.26 0.21 117.35 121.09 1mx7 s TYR 7 Ca 0.12 0.83 0.02 0.00 -0.37 0.00 0.00 57.07 57.67 1mx7 s TYR 7 Cb 0.02 -2.17 0.15 0.00 -0.40 0.00 0.00 41.96 39.56 1mx7 s TYR 7 CO -0.04 0.62 0.29 -1.58 -1.57 0.00 0.00 175.55 173.27 1mx7 s TRP 8 N -1.19 1.51 0.63 2.71 0.52 0.90 -2.89 118.94 121.13 1mx7 s TRP 8 Ca 0.25 -2.26 -0.19 0.00 0.02 0.00 0.00 56.10 53.93 1mx7 s TRP 8 Cb -0.15 -1.39 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1mx7 s TRP 8 CO 0.14 -0.78 1.25 0.36 0.02 0.00 0.00 176.95 177.93 1mx7 n LYS 9 N 3.29 1.16 -3.92 4.98 -0.00 -1.16 -2.78 118.16 119.74 1mx7 n LYS 9 Ca 0.18 0.45 -0.31 0.00 -0.00 0.00 0.00 58.31 58.63 1mx7 n LYS 9 Cb 0.40 -2.48 -0.04 0.00 -0.00 0.00 0.00 35.03 32.91 1mx7 n LYS 9 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1mx7 s MET 10 N -3.19 3.44 -0.03 -1.58 -2.45 -1.26 -1.39 119.30 112.84 1mx7 s MET 10 Ca 0.80 -0.44 -0.05 0.00 -1.25 0.00 0.00 55.69 54.75 1mx7 s MET 10 Cb -0.39 -3.04 -0.02 0.00 1.25 0.00 0.00 34.83 32.63 1mx7 s MET 10 CO 0.43 0.61 -0.10 1.28 1.05 0.00 0.00 175.02 178.28 1mx7 n LEU 11 N 0.27 0.84 -3.57 4.11 4.32 0.10 -4.92 117.00 118.15 1mx7 n LEU 11 Ca -0.05 0.13 -0.14 0.00 -0.02 0.00 0.00 56.01 55.93 1mx7 n LEU 11 Cb 0.51 -0.43 -0.05 0.00 -1.62 0.00 0.00 43.42 41.83 1mx7 n LEU 11 CO 0.52 -0.49 0.28 -0.55 -1.22 0.00 0.00 177.39 175.93 1mx7 s SER 12 N -5.24 -0.44 0.35 -1.43 0.15 -1.20 -4.99 113.70 100.90 1mx7 s SER 12 Ca -0.09 0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.83 1mx7 s SER 12 Cb 0.01 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1mx7 s SER 12 CO 0.13 -0.72 0.10 0.54 1.20 0.00 0.00 173.24 174.49 1mx7 s ASN 13 N -1.95 4.43 -0.04 5.45 4.22 -1.26 0.14 114.94 125.94 1mx7 s ASN 13 Ca -0.05 -0.91 -0.03 0.00 -2.14 0.00 0.00 52.86 49.73 1mx7 s ASN 13 Cb -0.01 -0.61 0.01 0.00 1.28 0.00 0.00 41.25 41.93 1mx7 s ASN 13 CO -0.01 -0.31 0.09 -0.70 -2.04 0.00 0.00 177.10 174.12 1mx7 s GLU 14 N -3.80 0.09 -1.65 3.55 -6.30 -0.97 -4.89 118.70 104.73 1mx7 s GLU 14 Ca 0.37 0.16 0.00 0.00 -2.50 0.00 0.00 54.97 53.00 1mx7 s GLU 14 Cb -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 34.13 34.13 1mx7 s GLU 14 CO 0.21 -0.04 0.00 -1.71 0.02 0.00 0.00 175.26 173.74 1mx7 n ASN 15 N 3.26 -5.53 -0.10 -1.70 5.15 -1.26 -3.37 115.26 111.70 1mx7 n ASN 15 Ca -0.15 0.38 -0.06 0.00 -0.60 0.00 0.00 54.58 54.16 1mx7 n ASN 15 Cb 0.58 -4.40 0.01 0.00 -0.53 0.00 0.00 39.78 35.43 1mx7 n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1mx7 h PHE 16 N 0.00 -0.27 -0.03 1.20 3.04 -1.94 -1.40 116.94 117.53 1mx7 h PHE 16 Ca -0.32 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.63 1mx7 h PHE 16 Cb 1.23 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.91 1mx7 h PHE 16 CO 0.58 -0.19 -0.15 0.93 -2.02 0.00 0.00 178.31 177.46 1mx7 h GLU 17 N -0.04 0.05 0.00 1.11 5.08 -1.91 -2.42 114.58 116.45 1mx7 h GLU 17 Ca 0.18 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 1mx7 h GLU 17 Cb 0.31 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1mx7 h GLU 17 CO -0.39 0.20 -0.89 1.49 -1.00 0.00 0.00 179.01 178.42 1mx7 h GLU 18 N 0.05 0.00 0.24 2.33 4.57 -1.87 -3.21 114.58 116.70 1mx7 h GLU 18 Ca 0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1mx7 h GLU 18 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1mx7 h GLU 18 CO 0.02 0.89 -0.12 -0.92 -1.18 0.00 0.00 179.01 177.71 1mx7 h TYR 19 N 0.00 -0.30 0.00 0.92 3.20 -0.76 -3.13 116.97 116.89 1mx7 h TYR 19 Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1mx7 h TYR 19 Cb 1.68 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 40.05 1mx7 h TYR 19 CO 0.00 -0.00 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.40 1mx7 h LEU 20 N -0.60 0.00 -0.80 2.82 3.38 -1.65 -2.62 115.31 115.84 1mx7 h LEU 20 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1mx7 h LEU 20 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1mx7 h LEU 20 CO 0.05 0.05 -0.56 -0.09 0.09 0.00 0.00 178.44 177.98 1mx7 h ARG 21 N 0.00 0.13 -0.12 1.13 1.12 -1.54 0.10 114.38 115.19 1mx7 h ARG 21 Ca -0.00 -0.08 -0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1mx7 h ARG 21 Cb 0.31 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.27 1mx7 h ARG 21 CO 0.01 0.65 0.07 0.00 -3.11 0.00 0.00 179.97 177.58 1mx7 h ALA 22 N 1.33 0.16 0.00 2.80 0.00 -1.44 -2.86 119.26 119.25 1mx7 h ALA 22 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mx7 h ALA 22 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1mx7 h ALA 22 CO 0.08 -0.30 -0.66 1.28 0.00 0.00 0.00 179.25 179.64 1mx7 n LEU 23 N -4.95 0.60 -3.47 0.00 4.32 -1.23 -4.98 117.00 107.29 1mx7 n LEU 23 Ca -0.05 0.04 -0.21 0.00 -0.02 0.00 0.00 56.01 55.77 1mx7 n LEU 23 Cb 0.07 -0.19 0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1mx7 n LEU 23 CO 0.34 0.06 -0.01 -0.67 -1.22 0.00 0.00 177.39 175.89 1mx7 n ASP 24 N -1.76 -5.10 -2.85 -1.43 -0.08 -0.02 -5.02 116.55 100.29 1mx7 n ASP 24 Ca 0.04 -0.82 0.00 0.00 -1.51 0.00 0.00 54.79 52.50 1mx7 n ASP 24 Cb 0.38 -4.45 0.00 0.00 2.34 0.00 0.00 41.12 39.40 1mx7 n ASP 24 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1mx7 n VAL 25 N -3.76 0.00 -1.98 5.18 0.24 -0.96 -4.95 118.33 112.11 1mx7 n VAL 25 Ca -0.13 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.77 1mx7 n VAL 25 Cb 0.62 -1.34 -0.01 0.00 -1.47 0.00 0.00 33.84 31.65 1mx7 n VAL 25 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1mx7 s ASN 26 N -1.33 6.46 0.27 -1.34 0.01 -1.26 -4.95 114.94 112.80 1mx7 s ASN 26 Ca 0.00 2.81 -0.04 0.00 -0.71 0.00 0.00 52.86 54.92 1mx7 s ASN 26 Cb 0.00 -2.65 0.34 0.00 0.41 0.00 0.00 41.25 39.35 1mx7 s ASN 26 CO 0.00 -0.76 1.94 1.62 -1.51 0.00 0.00 177.10 178.39 1mx7 h VAL 27 N 2.82 1.24 0.00 1.60 3.04 -1.99 -2.62 116.25 120.34 1mx7 h VAL 27 Ca -0.50 -0.45 -0.01 0.00 -1.01 0.00 0.00 66.70 64.73 1mx7 h VAL 27 Cb 1.24 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1mx7 h VAL 27 CO 0.64 0.23 -0.05 0.00 -1.01 0.00 0.00 177.57 177.38 1mx7 h ALA 28 N 1.42 1.03 0.15 3.17 0.00 -2.01 -3.08 119.26 119.94 1mx7 h ALA 28 Ca 0.33 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 1mx7 h ALA 28 Cb -0.13 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.68 1mx7 h ALA 28 CO -0.07 0.06 -0.97 1.25 0.00 0.00 0.00 179.25 179.52 1mx7 h LEU 29 N 0.00 0.59 -1.59 0.00 5.85 -1.85 -3.08 115.31 115.22 1mx7 h LEU 29 Ca -0.00 -0.92 0.01 0.00 0.84 0.00 0.00 57.88 57.82 1mx7 h LEU 29 Cb 0.47 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1mx7 h LEU 29 CO 0.01 1.46 0.29 -0.09 -0.34 0.00 0.00 178.44 179.77 1mx7 h ARG 30 N -0.18 0.54 -0.00 1.25 2.43 -1.56 0.37 114.38 117.23 1mx7 h ARG 30 Ca -0.16 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 1mx7 h ARG 30 Cb 1.75 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 31.18 1mx7 h ARG 30 CO 0.18 0.36 -0.34 -0.22 -1.51 0.00 0.00 179.97 178.44 1mx7 h LYS 31 N 0.55 0.23 0.02 0.20 3.64 -1.66 -3.20 116.57 116.36 1mx7 h LYS 31 Ca 0.17 -0.25 -0.27 0.00 -1.27 0.00 0.00 60.65 59.03 1mx7 h LYS 31 Cb 0.00 0.07 0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1mx7 h LYS 31 CO -0.04 0.97 -1.06 0.82 -2.27 0.00 0.00 179.45 177.87 1mx7 h ILE 32 N -0.40 1.30 0.00 2.00 1.08 -1.43 -3.30 117.51 116.76 1mx7 h ILE 32 Ca -0.04 -2.31 -0.02 0.00 -0.39 0.00 0.00 64.86 62.10 1mx7 h ILE 32 Cb 1.09 2.43 -0.00 0.00 -3.07 0.00 0.00 36.82 37.27 1mx7 h ILE 32 CO 0.07 0.71 -0.08 0.00 -0.69 0.00 0.00 178.15 178.16 1mx7 h ALA 33 N 0.43 1.30 0.49 1.87 0.00 -0.40 -2.28 119.26 120.67 1mx7 h ALA 33 Ca -0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1mx7 h ALA 33 Cb 1.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1mx7 h ALA 33 CO 0.20 0.10 -0.24 -0.97 0.00 0.00 0.00 179.25 178.35 1mx7 h ASN 34 N 0.00 -0.56 0.00 0.00 -1.24 -1.62 -3.02 115.58 109.14 1mx7 h ASN 34 Ca -0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1mx7 h ASN 34 Cb 0.24 0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.44 1mx7 h ASN 34 CO 0.01 -0.22 0.00 0.00 -1.29 0.00 0.00 177.43 175.93 1mx7 n LEU 35 N -5.28 0.00 -4.52 0.34 -0.00 -1.20 -4.73 117.00 101.61 1mx7 n LEU 35 Ca -0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.55 1mx7 n LEU 35 Cb 0.31 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.62 1mx7 n LEU 35 CO 0.31 0.00 -0.28 -0.22 -0.00 0.00 0.00 177.39 177.20 1mx7 s LEU 36 N -1.91 3.55 -0.35 1.47 2.96 -0.86 -5.08 118.68 118.45 1mx7 s LEU 36 Ca 0.44 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1mx7 s LEU 36 Cb 0.20 -1.92 0.09 0.00 0.50 0.00 0.00 46.19 45.06 1mx7 s LEU 36 CO 0.34 0.07 0.08 -0.54 -1.32 0.00 0.00 176.35 174.97 1mx7 s LYS 37 N 0.98 1.93 -0.30 1.98 1.02 -1.26 -4.76 119.74 119.33 1mx7 s LYS 37 Ca 0.03 -1.68 -0.29 0.00 0.02 0.00 0.00 55.97 54.06 1mx7 s LYS 37 Cb -0.14 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1mx7 s LYS 37 CO 0.03 -0.88 1.61 -2.14 -0.92 0.00 0.00 175.35 173.05 1mx7 s PRO 38 N 1.08 3.62 0.97 -1.68 0.02 -1.26 -4.91 135.00 132.84 1mx7 s PRO 38 Ca 0.05 1.42 -0.12 0.00 0.02 0.00 0.00 61.00 62.36 1mx7 s PRO 38 Cb -0.21 -4.07 0.17 0.00 0.02 0.00 0.00 34.50 30.41 1mx7 s PRO 38 CO -0.05 -1.51 1.11 0.16 -0.33 0.00 0.00 177.00 176.38 1mx7 s ASP 39 N 4.65 2.90 0.06 2.53 1.47 -0.96 -4.82 116.67 122.49 1mx7 s ASP 39 Ca 0.71 1.12 0.02 0.00 1.18 0.00 0.00 52.55 55.57 1mx7 s ASP 39 Cb -0.21 -1.76 -0.03 0.00 -0.34 0.00 0.00 42.92 40.58 1mx7 s ASP 39 CO 0.31 -2.95 -0.07 -0.54 0.68 0.00 0.00 175.17 172.60 1mx7 s LYS 40 N -5.07 0.59 -0.12 2.11 1.02 -1.12 -2.11 119.74 115.04 1mx7 s LYS 40 Ca 0.65 -0.92 -0.04 0.00 0.02 0.00 0.00 55.97 55.68 1mx7 s LYS 40 Cb -0.17 -0.20 0.06 0.00 -0.52 0.00 0.00 37.83 36.99 1mx7 s LYS 40 CO 0.56 0.01 0.13 -2.00 -0.92 0.00 0.00 175.35 173.14 1mx7 s GLU 41 N -2.30 0.05 0.02 1.68 2.12 -1.22 -0.07 118.70 118.98 1mx7 s GLU 41 Ca -0.04 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 1mx7 s GLU 41 Cb -0.05 -0.93 -0.04 0.00 0.26 0.00 0.00 34.13 33.37 1mx7 s GLU 41 CO -0.02 -0.48 0.18 0.42 -0.54 0.00 0.00 175.26 174.83 1mx7 s ILE 42 N 2.23 5.34 -0.12 -3.70 1.01 0.13 -3.71 121.20 122.38 1mx7 s ILE 42 Ca 0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1mx7 s ILE 42 Cb -0.14 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.85 1mx7 s ILE 42 CO -0.07 0.25 0.29 -0.69 0.00 0.00 0.00 174.94 174.72 1mx7 s VAL 43 N -1.39 -0.03 0.08 2.92 1.01 -1.14 -1.59 120.40 120.25 1mx7 s VAL 43 Ca 0.30 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1mx7 s VAL 43 Cb -0.13 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 1mx7 s VAL 43 CO 0.22 0.05 -0.11 -1.58 0.00 0.00 0.00 175.10 173.68 1mx7 s GLN 44 N 1.27 0.77 -0.29 2.72 0.74 -1.26 -1.45 119.66 122.16 1mx7 s GLN 44 Ca -0.09 -0.99 0.01 0.00 0.05 0.00 0.00 55.36 54.33 1mx7 s GLN 44 Cb -0.10 -0.62 0.15 0.00 1.10 0.00 0.00 33.01 33.55 1mx7 s GLN 44 CO -0.09 0.12 0.36 0.34 -0.55 0.00 0.00 175.29 175.46 1mx7 s ASP 45 N -1.97 0.97 0.84 6.67 2.15 -1.04 -4.91 116.67 119.38 1mx7 s ASP 45 Ca -0.01 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.44 1mx7 s ASP 45 Cb -0.07 0.83 0.00 0.00 -0.30 0.00 0.00 42.92 43.37 1mx7 s ASP 45 CO 0.01 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 1mx7 n GLY 46 N 5.33 1.81 0.14 2.66 0.00 -1.26 -3.22 105.19 110.65 1mx7 n GLY 46 Ca -0.01 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.61 1mx7 n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mx7 n ASP 47 N 7.95 2.44 -4.43 1.61 9.92 -1.26 -4.97 116.55 127.81 1mx7 n ASP 47 Ca 0.00 -2.92 -0.36 0.00 -0.53 0.00 0.00 54.79 50.99 1mx7 n ASP 47 Cb 0.00 -0.38 -0.13 0.00 -0.64 0.00 0.00 41.12 39.98 1mx7 n ASP 47 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1mx7 s HIS 48 N -2.59 3.05 -0.12 1.24 2.46 -1.20 -2.88 115.29 115.26 1mx7 s HIS 48 Ca 0.28 -0.49 -0.02 0.00 0.47 0.00 0.00 55.06 55.30 1mx7 s HIS 48 Cb 0.24 -2.15 -0.03 0.00 -0.13 0.00 0.00 32.58 30.52 1mx7 s HIS 48 CO 0.03 -0.32 -0.05 1.41 -2.47 0.00 0.00 174.74 173.34 1mx7 s MET 49 N 1.30 3.27 -0.38 2.88 1.75 0.29 -2.49 119.30 125.93 1mx7 s MET 49 Ca 0.04 -0.53 0.03 0.00 -1.25 0.00 0.00 55.69 53.98 1mx7 s MET 49 Cb -0.15 -2.77 0.11 0.00 2.84 0.00 0.00 34.83 34.86 1mx7 s MET 49 CO 0.02 0.43 0.11 0.42 -0.65 0.00 0.00 175.02 175.35 1mx7 s ILE 50 N -0.17 2.52 -0.07 10.11 1.01 -0.53 -0.41 121.20 133.66 1mx7 s ILE 50 Ca 0.03 -2.41 -0.21 0.00 0.00 0.00 0.00 60.65 58.06 1mx7 s ILE 50 Cb -0.13 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1mx7 s ILE 50 CO 0.03 -0.64 0.60 -0.63 0.00 0.00 0.00 174.94 174.29 1mx7 s ILE 51 N 0.80 5.06 -0.04 2.92 1.09 -1.26 -2.88 121.20 126.89 1mx7 s ILE 51 Ca 0.11 1.22 0.03 0.00 -1.10 0.00 0.00 60.65 60.91 1mx7 s ILE 51 Cb -0.20 -3.93 0.00 0.00 -1.06 0.00 0.00 42.46 37.27 1mx7 s ILE 51 CO -0.06 0.32 -0.12 -0.13 -0.10 0.00 0.00 174.94 174.84 1mx7 s ARG 52 N 0.47 1.42 -0.41 2.79 0.52 -1.24 -2.97 118.95 119.52 1mx7 s ARG 52 Ca 0.32 -0.43 -0.02 0.00 -0.52 0.00 0.00 55.73 55.08 1mx7 s ARG 52 Cb -0.17 -1.24 0.11 0.00 0.52 0.00 0.00 34.95 34.17 1mx7 s ARG 52 CO 0.15 0.13 0.20 0.99 0.02 0.00 0.00 175.30 176.79 1mx7 s THR 53 N 0.28 3.16 -0.17 0.02 2.01 -1.19 -3.43 115.64 116.33 1mx7 s THR 53 Ca -0.07 -2.16 -0.10 0.00 0.31 0.00 0.00 61.69 59.68 1mx7 s THR 53 Cb -0.12 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 1mx7 s THR 53 CO 0.02 -0.69 0.16 -0.76 -0.69 0.00 0.00 174.62 172.66 1mx7 s LEU 54 N 1.03 4.27 0.06 4.42 1.43 -0.90 -3.69 118.68 125.30 1mx7 s LEU 54 Ca 0.09 0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 53.30 1mx7 s LEU 54 Cb -0.22 -2.13 0.06 0.00 0.03 0.00 0.00 46.19 43.93 1mx7 s LEU 54 CO -0.05 0.24 0.58 -0.94 0.23 0.00 0.00 176.35 176.42 1mx7 s SER 55 N -0.08 -0.53 0.00 2.29 1.04 -1.26 -2.28 113.70 112.89 1mx7 s SER 55 Ca 0.11 0.25 0.29 0.00 0.48 0.00 0.00 55.95 57.08 1mx7 s SER 55 Cb -0.12 0.54 1.19 0.00 0.10 0.00 0.00 66.02 67.73 1mx7 s SER 55 CO 0.01 -0.77 1.83 1.07 0.98 0.00 0.00 173.24 176.35 1mx7 n THR 56 N 0.28 0.00 -3.93 2.02 5.66 -1.26 -4.50 114.28 112.55 1mx7 n THR 56 Ca -0.18 -0.14 -0.31 0.00 -3.05 0.00 0.00 64.05 60.37 1mx7 n THR 56 Cb 0.61 0.17 -0.15 0.00 -1.55 0.00 0.00 70.33 69.41 1mx7 n THR 56 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1mx7 s PHE 57 N -2.20 2.90 0.32 1.09 2.19 -1.26 -5.01 117.98 116.01 1mx7 s PHE 57 Ca 0.35 -2.37 0.00 0.00 0.33 0.00 0.00 56.93 55.24 1mx7 s PHE 57 Cb 0.21 -2.28 0.00 0.00 -1.31 0.00 0.00 43.02 39.64 1mx7 s PHE 57 CO 0.40 -0.89 0.00 -2.13 1.83 0.00 0.00 175.22 174.43 1mx7 n ARG 58 N 4.51 -4.41 -3.75 10.12 0.00 -1.26 -5.08 116.66 116.79 1mx7 n ARG 58 Ca -0.02 3.19 -0.11 0.00 -0.00 0.00 0.00 57.85 60.91 1mx7 n ARG 58 Cb 0.42 -3.51 -0.07 0.00 0.00 0.00 0.00 32.46 29.31 1mx7 n ARG 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1mx7 s ASN 59 N -1.82 -0.10 -0.17 6.15 2.20 -1.26 -4.34 114.94 115.60 1mx7 s ASN 59 Ca 0.00 -0.32 -0.15 0.00 -0.94 0.00 0.00 52.86 51.45 1mx7 s ASN 59 Cb 0.00 0.38 0.04 0.00 -2.00 0.00 0.00 41.25 39.68 1mx7 s ASN 59 CO 0.00 -0.70 0.44 -0.72 -2.94 0.00 0.00 177.10 173.18 1mx7 s TYR 60 N -3.14 -0.49 -0.01 1.54 1.13 -1.24 -5.09 117.35 110.05 1mx7 s TYR 60 Ca -0.01 1.19 0.04 0.00 -1.41 0.00 0.00 57.07 56.87 1mx7 s TYR 60 Cb 0.01 0.17 -0.01 0.00 -1.10 0.00 0.00 41.96 41.03 1mx7 s TYR 60 CO -0.07 -0.24 -0.12 0.42 -2.51 0.00 0.00 175.55 173.04 1mx7 s ILE 61 N 0.26 0.93 0.54 -3.49 1.09 -1.26 -3.16 121.20 116.12 1mx7 s ILE 61 Ca -0.00 -0.50 0.02 0.00 -1.10 0.00 0.00 60.65 59.07 1mx7 s ILE 61 Cb -0.03 -0.78 0.02 0.00 -1.06 0.00 0.00 42.46 40.60 1mx7 s ILE 61 CO 0.00 0.27 0.17 0.00 -0.10 0.00 0.00 174.94 175.28 1mx7 s MET 62 N -0.24 2.23 -0.29 2.79 0.23 -1.16 -5.07 119.30 117.80 1mx7 s MET 62 Ca 0.04 -2.30 0.03 0.00 -1.03 0.00 0.00 55.69 52.43 1mx7 s MET 62 Cb -0.05 -1.74 0.18 0.00 -1.53 0.00 0.00 34.83 31.69 1mx7 s MET 62 CO -0.00 -0.52 0.52 0.16 -2.03 0.00 0.00 175.02 173.15 1mx7 s ASP 63 N -4.07 -0.87 0.28 -1.18 1.47 -1.26 -4.14 116.67 106.89 1mx7 s ASP 63 Ca 0.14 0.18 0.10 0.00 1.18 0.00 0.00 52.55 54.14 1mx7 s ASP 63 Cb -0.01 1.73 -0.05 0.00 -0.34 0.00 0.00 42.92 44.25 1mx7 s ASP 63 CO 0.08 -0.31 -0.03 -0.36 0.68 0.00 0.00 175.17 175.24 1mx7 s PHE 64 N 2.73 2.61 0.15 2.11 0.08 0.45 -5.01 117.98 121.10 1mx7 s PHE 64 Ca 0.12 -0.27 0.09 0.00 0.12 0.00 0.00 56.93 57.00 1mx7 s PHE 64 Cb -0.12 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1mx7 s PHE 64 CO -0.25 0.61 -0.16 -0.65 -0.10 0.00 0.00 175.22 174.67 1mx7 s GLN 65 N -3.66 1.82 -0.33 0.44 -1.52 -1.26 -0.55 119.66 114.61 1mx7 s GLN 65 Ca 0.32 -1.26 -0.17 0.00 -1.95 0.00 0.00 55.36 52.30 1mx7 s GLN 65 Cb -0.05 -2.08 -0.01 0.00 -0.22 0.00 0.00 33.01 30.64 1mx7 s GLN 65 CO 0.19 0.45 0.44 0.08 -0.25 0.00 0.00 175.29 176.20 1mx7 s VAL 66 N -1.40 5.10 -0.06 1.09 1.01 -1.14 -4.11 120.40 120.88 1mx7 s VAL 66 Ca 0.20 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1mx7 s VAL 66 Cb -0.10 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1mx7 s VAL 66 CO 0.12 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1mx7 n GLY 67 N 4.82 0.40 3.10 4.51 0.00 -1.19 -5.04 105.19 111.79 1mx7 n GLY 67 Ca -0.07 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 1mx7 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx7 s LYS 68 N -2.83 0.81 0.91 1.61 -0.14 -1.26 -5.08 119.74 113.76 1mx7 s LYS 68 Ca 0.00 -0.65 -0.12 0.00 -1.36 0.00 0.00 55.97 53.85 1mx7 s LYS 68 Cb 0.00 -0.77 0.14 0.00 -1.68 0.00 0.00 37.83 35.52 1mx7 s LYS 68 CO 0.00 0.19 1.09 -2.00 -0.76 0.00 0.00 175.35 173.87 1mx7 s GLU 69 N -0.99 1.12 -0.28 1.68 2.12 -1.26 -4.22 118.70 116.87 1mx7 s GLU 69 Ca 0.00 0.84 -0.17 0.00 0.36 0.00 0.00 54.97 56.00 1mx7 s GLU 69 Cb -0.07 -1.79 0.08 0.00 0.26 0.00 0.00 34.13 32.61 1mx7 s GLU 69 CO 0.01 -2.34 0.70 0.12 -0.54 0.00 0.00 175.26 173.21 1mx7 s PHE 70 N -2.90 -1.02 -1.15 5.30 5.36 -0.13 -4.93 117.98 118.51 1mx7 s PHE 70 Ca 0.64 2.08 -0.05 0.00 -0.96 0.00 0.00 56.93 58.64 1mx7 s PHE 70 Cb -0.18 0.58 0.26 0.00 -0.34 0.00 0.00 43.02 43.33 1mx7 s PHE 70 CO 0.57 -0.50 1.73 -1.91 -1.46 0.00 0.00 175.22 173.65 1mx7 n GLU 71 N 4.07 4.42 -1.69 10.12 2.13 -1.26 -0.49 120.64 137.94 1mx7 n GLU 71 Ca -0.19 -4.19 -0.43 0.00 0.66 0.00 0.00 57.16 53.00 1mx7 n GLU 71 Cb 0.58 -2.63 -0.03 0.00 0.27 0.00 0.00 31.44 29.63 1mx7 n GLU 71 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1mx7 n GLU 72 N 1.81 2.67 -3.77 5.31 2.13 -0.79 -4.84 120.64 123.16 1mx7 n GLU 72 Ca 0.36 0.97 -0.37 0.00 0.66 0.00 0.00 57.16 58.79 1mx7 n GLU 72 Cb 0.32 -2.85 -0.12 0.00 0.27 0.00 0.00 31.44 29.06 1mx7 n GLU 72 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1mx7 s ASP 73 N 2.71 5.25 0.17 4.31 1.47 -1.26 -0.70 116.67 128.62 1mx7 s ASP 73 Ca 0.83 -1.59 -0.29 0.00 1.18 0.00 0.00 52.55 52.68 1mx7 s ASP 73 Cb -0.52 -1.84 -0.07 0.00 -0.34 0.00 0.00 42.92 40.15 1mx7 s ASP 73 CO 0.39 -0.44 0.93 -0.76 0.68 0.00 0.00 175.17 175.97 1mx7 s LEU 74 N 1.27 4.57 -0.30 2.11 1.43 -1.26 -4.95 118.68 121.55 1mx7 s LEU 74 Ca 0.02 1.84 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 1mx7 s LEU 74 Cb -0.22 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.52 1mx7 s LEU 74 CO -0.01 0.06 -0.03 0.42 0.23 0.00 0.00 176.35 177.01 1mx7 s THR 75 N -0.61 2.20 0.00 5.49 -4.23 -1.26 -4.26 115.64 112.97 1mx7 s THR 75 Ca 0.43 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1mx7 s THR 75 Cb -0.24 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1mx7 s THR 75 CO 0.30 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1mx7 n GLY 76 N 4.36 -1.71 4.21 3.99 0.00 -1.26 -4.92 105.19 109.85 1mx7 n GLY 76 Ca -0.06 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 1mx7 n GLY 76 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1mx7 n ILE 77 N 0.00 -1.63 0.00 -0.61 3.06 -1.26 0.11 119.36 119.03 1mx7 n ILE 77 Ca 0.00 -0.53 0.00 0.00 -2.50 0.00 0.00 62.75 59.72 1mx7 n ILE 77 Cb 0.00 -1.47 0.00 0.00 0.54 0.00 0.00 39.64 38.71 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1mx7 n ASP 78 N -2.52 0.00 -2.89 9.51 2.03 -1.26 -4.79 116.55 116.63 1mx7 n ASP 78 Ca -0.24 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.05 1mx7 n ASP 78 Cb 0.63 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.01 1mx7 n ASP 78 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1mx7 n ASP 79 N 0.45 -4.98 -3.33 1.67 5.75 0.30 -5.04 116.55 111.37 1mx7 n ASP 79 Ca 0.00 1.11 -0.12 0.00 -0.01 0.00 0.00 54.79 55.77 1mx7 n ASP 79 Cb 0.00 -2.87 -0.06 0.00 -1.03 0.00 0.00 41.12 37.15 1mx7 n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1mx7 s ARG 80 N -0.24 0.58 0.39 0.11 3.52 -1.26 -4.98 118.95 117.08 1mx7 s ARG 80 Ca -0.10 -0.44 -0.27 0.00 -0.13 0.00 0.00 55.73 54.78 1mx7 s ARG 80 Cb 0.01 -0.48 -0.11 0.00 -1.56 0.00 0.00 34.95 32.81 1mx7 s ARG 80 CO 0.28 -1.14 1.40 0.36 -0.81 0.00 0.00 175.30 175.39 1mx7 n LYS 81 N 4.66 2.35 -3.77 5.12 2.85 -1.26 -4.58 118.16 123.53 1mx7 n LYS 81 Ca 0.07 0.83 -0.17 0.00 -1.05 0.00 0.00 58.31 57.99 1mx7 n LYS 81 Cb 0.48 -2.54 -0.06 0.00 -0.65 0.00 0.00 35.03 32.26 1mx7 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1mx7 n MET 83 N -0.61 2.83 -2.37 0.00 2.81 -1.26 -1.88 117.12 116.65 1mx7 n MET 83 Ca -0.00 -4.75 -0.41 0.00 -1.81 0.00 0.00 57.70 50.73 1mx7 n MET 83 Cb 0.46 -2.25 -0.04 0.00 -0.71 0.00 0.00 33.22 30.68 1mx7 n MET 83 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1mx7 s THR 84 N -3.26 3.30 -0.20 2.03 2.01 0.35 -4.41 115.64 115.46 1mx7 s THR 84 Ca 0.43 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.72 1mx7 s THR 84 Cb 0.20 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.93 1mx7 s THR 84 CO -0.06 0.29 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.10 1mx7 s THR 85 N -0.96 2.03 0.03 -0.82 2.01 -1.16 -0.96 115.64 115.81 1mx7 s THR 85 Ca 0.47 -1.13 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1mx7 s THR 85 Cb -0.34 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1mx7 s THR 85 CO 0.43 0.34 0.02 -0.69 -0.69 0.00 0.00 174.62 174.03 1mx7 s VAL 86 N 1.26 4.24 0.14 3.82 1.01 -1.26 -2.46 120.40 127.14 1mx7 s VAL 86 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1mx7 s VAL 86 Cb -0.15 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1mx7 s VAL 86 CO -0.10 0.27 0.20 -0.24 0.00 0.00 0.00 175.10 175.23 1mx7 n SER 87 N 1.03 -0.55 -3.67 3.32 2.88 -0.86 -3.16 113.62 112.61 1mx7 n SER 87 Ca -0.13 -1.75 -0.09 0.00 -1.33 0.00 0.00 58.87 55.57 1mx7 n SER 87 Cb 0.52 1.02 -0.10 0.00 -0.75 0.00 0.00 64.21 64.90 1mx7 n SER 87 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1mx7 s TRP 88 N -4.21 -0.72 -0.70 0.66 1.48 -1.26 -3.04 118.94 111.14 1mx7 s TRP 88 Ca 0.11 1.43 0.03 0.00 -1.06 0.00 0.00 56.10 56.61 1mx7 s TRP 88 Cb -0.00 0.27 0.35 0.00 -1.16 0.00 0.00 33.47 32.93 1mx7 s TRP 88 CO 0.08 -0.44 1.35 -3.47 -4.06 0.00 0.00 176.95 170.42 1mx7 n ASP 89 N 5.08 5.68 0.00 -2.66 2.03 -1.26 -4.98 116.55 120.44 1mx7 n ASP 89 Ca -0.12 -3.72 0.00 0.00 0.52 0.00 0.00 54.79 51.47 1mx7 n ASP 89 Cb 0.51 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1mx7 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mx7 n GLY 90 N -0.29 0.23 2.33 0.27 0.00 -1.26 -4.73 105.19 101.75 1mx7 n GLY 90 Ca 0.40 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 1mx7 n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mx7 n ASP 91 N 0.00 8.17 -1.70 1.61 -0.08 -1.26 -4.83 116.55 118.46 1mx7 n ASP 91 Ca 0.00 -2.72 -0.05 0.00 -1.51 0.00 0.00 54.79 50.51 1mx7 n ASP 91 Cb 0.00 -1.49 -0.02 0.00 2.34 0.00 0.00 41.12 41.96 1mx7 n ASP 91 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1mx7 n LYS 92 N 2.93 0.41 -3.29 -0.67 5.02 -1.26 -4.15 118.16 117.15 1mx7 n LYS 92 Ca 0.70 -0.74 -0.08 0.00 -2.02 0.00 0.00 58.31 56.17 1mx7 n LYS 92 Cb 0.31 0.52 -0.05 0.00 -0.02 0.00 0.00 35.03 35.79 1mx7 n LYS 92 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1mx7 s LEU 93 N 0.00 -0.80 -0.12 -0.35 2.96 -0.89 -4.66 118.68 114.81 1mx7 s LEU 93 Ca 0.07 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1mx7 s LEU 93 Cb 0.00 1.15 -0.04 0.00 0.50 0.00 0.00 46.19 47.81 1mx7 s LEU 93 CO 0.05 -0.33 0.07 0.00 -1.32 0.00 0.00 176.35 174.82 1mx7 s GLN 94 N 2.39 3.35 0.03 1.98 -2.07 -1.17 -1.98 119.66 122.19 1mx7 s GLN 94 Ca 0.11 -0.27 0.05 0.00 -1.82 0.00 0.00 55.36 53.43 1mx7 s GLN 94 Cb -0.12 -3.04 -0.02 0.00 -1.09 0.00 0.00 33.01 28.74 1mx7 s GLN 94 CO -0.26 0.67 -0.15 0.00 -1.32 0.00 0.00 175.29 174.23 1mx7 s VAL 96 N -0.70 0.20 -0.21 0.00 1.01 -1.03 -3.71 120.40 115.95 1mx7 s VAL 96 Ca 0.04 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1mx7 s VAL 96 Cb -0.07 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1mx7 s VAL 96 CO 0.01 -0.23 0.12 -1.10 0.00 0.00 0.00 175.10 173.90 1mx7 s GLN 97 N 2.01 4.04 -0.64 2.72 -0.21 -1.22 -2.98 119.66 123.38 1mx7 s GLN 97 Ca 0.01 -0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.08 1mx7 s GLN 97 Cb -0.16 -3.39 0.16 0.00 1.00 0.00 0.00 33.01 30.62 1mx7 s GLN 97 CO -0.08 0.16 0.44 -1.59 -2.12 0.00 0.00 175.29 172.10 1mx7 s LYS 98 N 0.73 2.50 0.00 2.91 -2.85 -1.26 -4.74 119.74 117.03 1mx7 s LYS 98 Ca 0.06 -2.71 0.00 0.00 -1.00 0.00 0.00 55.97 52.32 1mx7 s LYS 98 Cb -0.13 -3.64 0.00 0.00 -2.06 0.00 0.00 37.83 32.01 1mx7 s LYS 98 CO 0.02 -1.18 0.00 0.41 0.10 0.00 0.00 175.35 174.70 1mx7 n GLY 99 N 3.14 0.47 0.00 0.59 0.00 -1.26 -4.37 105.19 103.76 1mx7 n GLY 99 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1mx7 n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1mx7 n GLU 100 N 0.00 1.43 -2.16 1.61 0.28 -1.26 -5.11 120.64 115.42 1mx7 n GLU 100 Ca 0.00 -0.02 -0.18 0.00 -0.16 0.00 0.00 57.16 56.80 1mx7 n GLU 100 Cb 0.00 -0.22 0.09 0.00 1.43 0.00 0.00 31.44 32.74 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1mx7 n LYS 101 N -0.21 0.10 -0.83 3.44 4.81 -1.26 -5.05 118.16 119.16 1mx7 n LYS 101 Ca 0.00 -2.14 0.04 0.00 -0.87 0.00 0.00 58.31 55.34 1mx7 n LYS 101 Cb 0.03 -0.49 0.17 0.00 0.02 0.00 0.00 35.03 34.77 1mx7 n LYS 101 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1mx7 n GLU 102 N -2.40 1.48 0.00 1.64 1.02 -1.26 -4.79 120.64 116.33 1mx7 n GLU 102 Ca 0.13 -3.17 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 1mx7 n GLU 102 Cb 0.46 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1mx7 n GLU 102 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mx7 n GLY 103 N -0.86 0.06 3.60 0.62 0.00 -1.26 -4.50 105.19 102.85 1mx7 n GLY 103 Ca 0.18 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.68 1mx7 n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx7 n ARG 104 N 0.00 1.44 0.00 1.61 1.74 -1.24 -3.86 116.66 116.35 1mx7 n ARG 104 Ca 0.00 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1mx7 n ARG 104 Cb 0.00 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 1mx7 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mx7 n GLY 105 N 5.17 2.89 1.04 -0.13 0.00 -1.15 -3.41 105.19 109.60 1mx7 n GLY 105 Ca 0.31 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1mx7 n GLY 105 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mx7 n TRP 106 N -0.74 -0.10 -3.64 1.61 8.01 -1.24 -1.02 117.44 120.32 1mx7 n TRP 106 Ca 0.00 -0.86 -0.08 0.00 -1.31 0.00 0.00 57.50 55.25 1mx7 n TRP 106 Cb 0.00 0.04 -0.07 0.00 -2.01 0.00 0.00 31.31 29.28 1mx7 n TRP 106 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1mx7 s THR 107 N -2.22 0.00 -0.29 -0.99 2.01 -1.17 -3.06 115.64 109.91 1mx7 s THR 107 Ca 0.10 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1mx7 s THR 107 Cb 0.00 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.60 1mx7 s THR 107 CO 0.07 0.00 0.03 -1.58 -0.69 0.00 0.00 174.62 172.44 1mx7 s GLN 108 N 0.74 1.28 0.27 4.92 0.74 -0.84 -1.12 119.66 125.66 1mx7 s GLN 108 Ca -0.02 -1.29 0.06 0.00 0.05 0.00 0.00 55.36 54.15 1mx7 s GLN 108 Cb -0.05 -2.59 -0.03 0.00 1.10 0.00 0.00 33.01 31.45 1mx7 s GLN 108 CO -0.09 -0.83 0.37 -0.46 -0.55 0.00 0.00 175.29 173.73 1mx7 s TRP 109 N 1.31 3.31 0.01 1.67 -0.11 -1.09 -2.10 118.94 121.94 1mx7 s TRP 109 Ca 0.04 -0.09 0.04 0.00 1.22 0.00 0.00 56.10 57.31 1mx7 s TRP 109 Cb -0.18 -1.66 -0.01 0.00 -1.50 0.00 0.00 33.47 30.11 1mx7 s TRP 109 CO -0.13 0.33 -0.12 0.42 -4.62 0.00 0.00 176.95 172.83 1mx7 s ILE 110 N -2.06 0.94 -0.38 5.86 1.01 -1.26 -2.33 121.20 122.99 1mx7 s ILE 110 Ca 0.37 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1mx7 s ILE 110 Cb -0.09 -0.83 0.14 0.00 0.01 0.00 0.00 42.46 41.69 1mx7 s ILE 110 CO 0.29 0.10 0.22 -0.70 0.00 0.00 0.00 174.94 174.85 1mx7 s GLU 111 N -0.71 0.78 0.88 2.79 2.12 0.14 -5.03 118.70 119.67 1mx7 s GLU 111 Ca 0.02 -1.53 0.00 0.00 0.36 0.00 0.00 54.97 53.82 1mx7 s GLU 111 Cb -0.06 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.69 1mx7 s GLU 111 CO 0.00 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 173.94 1mx7 n GLY 112 N 3.90 0.40 0.04 -1.50 0.00 -1.26 0.61 105.19 107.39 1mx7 n GLY 112 Ca 0.11 0.36 0.11 0.00 0.00 0.00 0.00 46.02 46.60 1mx7 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mx7 n ASP 113 N 2.32 0.27 -4.91 1.61 8.00 -1.26 -4.97 116.55 117.62 1mx7 n ASP 113 Ca 0.00 0.09 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 1mx7 n ASP 113 Cb 0.00 1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 42.57 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1mx7 s GLU 114 N -3.46 3.52 -0.05 -1.24 2.02 0.20 -0.95 118.70 118.73 1mx7 s GLU 114 Ca -0.05 -0.26 0.05 0.00 0.02 0.00 0.00 54.97 54.73 1mx7 s GLU 114 Cb 0.13 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 1mx7 s GLU 114 CO 0.87 0.57 -0.19 -1.17 0.02 0.00 0.00 175.26 175.37 1mx7 s LEU 115 N -2.40 2.46 -0.42 1.80 2.96 -1.15 -0.68 118.68 121.25 1mx7 s LEU 115 Ca 0.35 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1mx7 s LEU 115 Cb -0.13 -1.48 0.14 0.00 0.50 0.00 0.00 46.19 45.22 1mx7 s LEU 115 CO 0.24 0.30 0.24 -1.00 -1.32 0.00 0.00 176.35 174.81 1mx7 s HIS 116 N -0.48 1.62 0.03 5.38 3.76 -0.98 -3.20 115.29 121.43 1mx7 s HIS 116 Ca 0.06 -2.21 -0.11 0.00 -0.15 0.00 0.00 55.06 52.65 1mx7 s HIS 116 Cb -0.12 -1.59 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 1mx7 s HIS 116 CO 0.01 -0.79 0.37 -1.17 -0.85 0.00 0.00 174.74 172.31 1mx7 s LEU 117 N 0.51 4.40 -0.20 0.89 2.96 -1.19 -2.68 118.68 123.36 1mx7 s LEU 117 Ca 0.18 0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 54.85 1mx7 s LEU 117 Cb -0.23 -2.75 0.07 0.00 0.50 0.00 0.00 46.19 43.79 1mx7 s LEU 117 CO -0.01 0.25 0.12 -1.83 -1.32 0.00 0.00 176.35 173.56 1mx7 s GLU 118 N -1.55 0.11 0.27 1.98 1.03 -0.28 -1.91 118.70 118.36 1mx7 s GLU 118 Ca 0.28 -0.15 -0.13 0.00 0.03 0.00 0.00 54.97 55.00 1mx7 s GLU 118 Cb -0.15 -1.58 -0.08 0.00 -0.80 0.00 0.00 34.13 31.52 1mx7 s GLU 118 CO 0.15 -0.76 0.66 -1.64 -1.33 0.00 0.00 175.26 172.34 1mx7 s MET 119 N 2.16 3.95 0.01 -4.83 -1.94 0.98 -3.03 119.30 116.60 1mx7 s MET 119 Ca 0.04 0.53 0.03 0.00 -1.71 0.00 0.00 55.69 54.58 1mx7 s MET 119 Cb -0.16 -2.57 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 1mx7 s MET 119 CO -0.16 0.25 -0.09 0.50 -0.01 0.00 0.00 175.02 175.51 1mx7 s ARG 120 N -2.79 0.67 -0.20 2.03 3.52 -0.18 0.33 118.95 122.32 1mx7 s ARG 120 Ca 0.50 -0.46 -0.14 0.00 -0.13 0.00 0.00 55.73 55.50 1mx7 s ARG 120 Cb -0.11 -0.62 0.06 0.00 -1.56 0.00 0.00 34.95 32.72 1mx7 s ARG 120 CO 0.19 0.16 0.51 0.00 -0.81 0.00 0.00 175.30 175.35 1mx7 s ALA 121 N -0.53 -1.30 -1.40 6.12 0.00 -0.90 -2.92 121.76 120.83 1mx7 s ALA 121 Ca 0.00 1.65 -0.11 0.00 0.00 0.00 0.00 51.96 53.50 1mx7 s ALA 121 Cb -0.05 -0.98 0.11 0.00 0.00 0.00 0.00 23.12 22.20 1mx7 s ALA 121 CO 0.00 -0.28 0.28 -1.91 0.00 0.00 0.00 175.76 173.86 1mx7 n GLU 122 N 3.62 -0.84 -0.43 0.00 2.13 -1.26 -0.33 120.64 123.52 1mx7 n GLU 122 Ca -0.18 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1mx7 n GLU 122 Cb 0.56 -3.40 0.00 0.00 0.27 0.00 0.00 31.44 28.88 1mx7 n GLU 122 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mx7 n GLY 123 N -1.50 0.73 3.75 8.31 0.00 -1.26 -4.97 105.19 110.25 1mx7 n GLY 123 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1mx7 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mx7 s VAL 124 N -2.65 3.53 -0.28 1.61 -7.23 0.55 -5.12 120.40 110.80 1mx7 s VAL 124 Ca 0.00 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1mx7 s VAL 124 Cb 0.00 -3.07 0.09 0.00 0.56 0.00 0.00 36.38 33.97 1mx7 s VAL 124 CO 0.00 -0.27 0.10 -0.89 -0.31 0.00 0.00 175.10 173.73 1mx7 s THR 125 N -2.32 0.40 0.20 5.32 2.01 -1.26 -2.12 115.64 117.88 1mx7 s THR 125 Ca 0.35 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 1mx7 s THR 125 Cb -0.05 -1.26 -0.08 0.00 0.01 0.00 0.00 72.50 71.12 1mx7 s THR 125 CO 0.23 -0.62 0.71 0.00 -0.69 0.00 0.00 174.62 174.24 1mx7 s LYS 127 N -1.83 -0.06 -0.14 0.00 1.02 -1.22 -0.01 119.74 117.50 1mx7 s LYS 127 Ca 0.41 0.33 -0.02 0.00 0.02 0.00 0.00 55.97 56.71 1mx7 s LYS 127 Cb -0.17 -0.66 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 1mx7 s LYS 127 CO 0.21 -0.37 -0.07 -0.65 -0.92 0.00 0.00 175.35 173.55 1mx7 s GLN 128 N 2.17 3.56 -0.20 1.68 -0.21 -0.80 -2.28 119.66 123.57 1mx7 s GLN 128 Ca 0.05 -0.58 -0.13 0.00 0.02 0.00 0.00 55.36 54.72 1mx7 s GLN 128 Cb -0.12 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 1mx7 s GLN 128 CO -0.04 0.23 0.25 0.08 -2.12 0.00 0.00 175.29 173.70 1mx7 s VAL 129 N 0.35 5.31 0.20 1.09 1.01 0.12 -3.17 120.40 125.31 1mx7 s VAL 129 Ca -0.07 0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.43 1mx7 s VAL 129 Cb -0.15 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1mx7 s VAL 129 CO 0.04 0.35 -0.22 -0.36 0.00 0.00 0.00 175.10 174.91 1mx7 s PHE 130 N 0.87 2.17 -0.14 5.22 0.40 -1.19 0.03 117.98 125.34 1mx7 s PHE 130 Ca 0.13 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1mx7 s PHE 130 Cb -0.13 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.37 1mx7 s PHE 130 CO 0.04 0.50 -0.13 0.21 0.70 0.00 0.00 175.22 176.54 1mx7 s LYS 131 N -2.89 2.13 -0.16 0.44 2.47 -0.48 -2.91 119.74 118.34 1mx7 s LYS 131 Ca 0.21 -0.50 -0.29 0.00 -1.56 0.00 0.00 55.97 53.84 1mx7 s LYS 131 Cb -0.07 -1.98 -0.04 0.00 -1.46 0.00 0.00 37.83 34.28 1mx7 s LYS 131 CO 0.10 -0.23 1.69 0.21 0.16 0.00 0.00 175.35 177.28 1mx7 s LYS 132 N 1.49 3.86 -0.45 4.03 2.36 -0.13 -2.97 119.74 127.94 1mx7 s LYS 132 Ca 0.04 1.87 0.07 0.00 -2.55 0.00 0.00 55.97 55.40 1mx7 s LYS 132 Cb -0.13 -4.05 0.41 0.00 -1.05 0.00 0.00 37.83 33.00 1mx7 s LYS 132 CO -0.09 -1.22 1.05 1.33 1.55 0.00 0.00 175.35 177.96 1mx7 n VAL 133 N 6.22 2.27 0.82 4.02 0.24 -1.14 -5.00 118.33 125.75 1mx7 n VAL 133 Ca 0.19 -4.84 0.07 0.00 -2.04 0.00 0.00 64.34 57.72 1mx7 n VAL 133 Cb 0.44 -1.04 0.39 0.00 -1.47 0.00 0.00 33.84 32.16 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26