#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 2.42 -3.24 0.52 0.24 -1.26 -5.04 118.33 111.97 1mx7 n VAL 2 Ca 0.00 -5.36 -0.43 0.00 -2.04 0.00 0.00 64.34 56.51 1mx7 n VAL 2 Cb 0.00 -1.29 -0.08 0.00 -1.47 0.00 0.00 33.84 31.00 1mx7 n VAL 2 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1mx7 s ASP 3 N -3.18 6.24 0.54 -1.34 1.11 -1.26 -4.98 116.67 113.81 1mx7 s ASP 3 Ca 0.46 -0.55 0.24 0.00 0.18 0.00 0.00 52.55 52.88 1mx7 s ASP 3 Cb 0.28 -2.26 1.44 0.00 1.07 0.00 0.00 42.92 43.45 1mx7 s ASP 3 CO -0.12 -0.66 2.07 -0.26 1.18 0.00 0.00 175.17 177.39 1mx7 h PHE 4 N 8.79 0.00 -3.35 4.23 -1.00 -1.97 -3.45 116.94 120.20 1mx7 h PHE 4 Ca -0.26 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 59.96 1mx7 h PHE 4 Cb 1.10 0.00 0.18 0.00 3.61 0.00 0.00 35.95 40.85 1mx7 h PHE 4 CO 0.66 0.00 -0.25 0.27 -1.61 0.00 0.00 178.31 177.38 1mx7 n ASN 5 N -4.25 -0.70 0.00 2.17 0.23 -1.26 -4.71 115.26 106.73 1mx7 n ASN 5 Ca 0.04 0.63 0.00 0.00 -0.53 0.00 0.00 54.58 54.72 1mx7 n ASN 5 Cb 0.38 -1.27 0.00 0.00 -2.08 0.00 0.00 39.78 36.81 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mx7 n GLY 6 N 1.51 0.10 3.14 4.83 0.00 -0.90 -4.96 105.19 108.90 1mx7 n GLY 6 Ca 0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1mx7 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mx7 s TYR 7 N -4.00 0.23 -0.50 1.61 2.02 -1.26 -3.92 117.35 111.53 1mx7 s TYR 7 Ca 0.00 -0.59 0.06 0.00 -0.37 0.00 0.00 57.07 56.17 1mx7 s TYR 7 Cb 0.00 -0.15 0.23 0.00 -0.40 0.00 0.00 41.96 41.63 1mx7 s TYR 7 CO 0.00 -0.42 0.85 0.91 -1.57 0.00 0.00 175.55 175.32 1mx7 n TRP 8 N 0.46 -3.47 -1.59 2.71 8.01 -0.62 -4.43 117.44 118.50 1mx7 n TRP 8 Ca -0.17 -1.64 -0.46 0.00 -1.31 0.00 0.00 57.50 53.92 1mx7 n TRP 8 Cb 0.60 1.55 -0.05 0.00 -2.01 0.00 0.00 31.31 31.40 1mx7 n TRP 8 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04 1mx7 n LYS 9 N 2.00 1.89 -2.18 -0.99 2.85 -1.13 -3.52 118.16 117.08 1mx7 n LYS 9 Ca 0.11 0.60 -0.37 0.00 -1.05 0.00 0.00 58.31 57.60 1mx7 n LYS 9 Cb 0.61 -2.85 -0.00 0.00 -0.65 0.00 0.00 35.03 32.13 1mx7 n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1mx7 s MET 10 N 5.51 3.67 -0.22 -1.58 0.23 -1.26 -3.11 119.30 122.54 1mx7 s MET 10 Ca 1.00 1.85 -0.07 0.00 -1.03 0.00 0.00 55.69 57.44 1mx7 s MET 10 Cb -0.58 -2.39 -0.11 0.00 -1.53 0.00 0.00 34.83 30.22 1mx7 s MET 10 CO 0.44 -0.65 -0.25 1.28 -2.03 0.00 0.00 175.02 173.81 1mx7 n LEU 11 N -0.55 2.06 -3.61 0.18 4.77 -1.12 -4.94 117.00 113.78 1mx7 n LEU 11 Ca 0.08 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 1mx7 n LEU 11 Cb 0.47 -0.68 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1mx7 n LEU 11 CO 0.48 0.60 0.24 -0.55 -1.33 0.00 0.00 177.39 176.83 1mx7 s SER 12 N -6.67 -0.40 -0.22 -1.43 0.15 -1.24 -5.02 113.70 98.88 1mx7 s SER 12 Ca -0.30 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.55 1mx7 s SER 12 Cb 0.10 0.46 0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1mx7 s SER 12 CO 0.42 -0.67 -0.15 0.54 1.20 0.00 0.00 173.24 174.58 1mx7 s ASN 13 N -1.84 3.74 0.00 5.45 2.20 -1.26 -1.54 114.94 121.68 1mx7 s ASN 13 Ca -0.07 -1.00 -0.16 0.00 -0.94 0.00 0.00 52.86 50.70 1mx7 s ASN 13 Cb -0.01 -1.49 -0.06 0.00 -2.00 0.00 0.00 41.25 37.69 1mx7 s ASN 13 CO -0.00 -0.10 0.43 -0.70 -2.94 0.00 0.00 177.10 173.80 1mx7 s GLU 14 N 1.22 3.99 -1.45 3.55 2.12 0.66 -4.24 118.70 124.54 1mx7 s GLU 14 Ca -0.02 0.46 -0.02 0.00 0.36 0.00 0.00 54.97 55.75 1mx7 s GLU 14 Cb -0.16 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.00 1mx7 s GLU 14 CO -0.09 0.64 0.18 0.09 -0.54 0.00 0.00 175.26 175.54 1mx7 n ASN 15 N 1.95 -5.08 0.11 -1.70 4.13 -1.26 -2.85 115.26 110.55 1mx7 n ASN 15 Ca -0.13 -0.04 -0.00 0.00 1.68 0.00 0.00 54.58 56.08 1mx7 n ASN 15 Cb 0.52 -4.22 0.28 0.00 -1.54 0.00 0.00 39.78 34.82 1mx7 n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1mx7 h PHE 16 N -0.39 0.25 0.13 3.10 3.57 -1.90 -0.42 116.94 121.28 1mx7 h PHE 16 Ca -0.43 -0.05 -0.29 0.00 3.53 0.00 0.00 57.97 60.73 1mx7 h PHE 16 Cb 1.31 -0.06 0.02 0.00 2.79 0.00 0.00 35.95 40.01 1mx7 h PHE 16 CO 0.61 0.53 -1.24 0.93 -2.23 0.00 0.00 178.31 176.91 1mx7 h GLU 17 N 0.19 0.45 0.00 1.11 3.07 -1.92 -2.60 114.58 114.87 1mx7 h GLU 17 Ca 0.03 -0.65 -0.00 0.00 -0.50 0.00 0.00 59.36 58.23 1mx7 h GLU 17 Cb 0.68 0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1mx7 h GLU 17 CO 0.05 1.29 -0.02 1.49 -1.40 0.00 0.00 179.01 180.42 1mx7 h GLU 18 N 0.17 0.00 -0.06 2.33 4.57 -1.94 -2.07 114.58 117.57 1mx7 h GLU 18 Ca -0.16 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.77 1mx7 h GLU 18 Cb 1.93 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.53 1mx7 h GLU 18 CO 0.22 0.02 -0.92 -0.92 -1.18 0.00 0.00 179.01 176.23 1mx7 h TYR 19 N 0.00 0.99 0.00 0.92 3.20 -0.96 -2.74 116.97 118.38 1mx7 h TYR 19 Ca -0.00 -0.49 -0.02 0.00 3.14 0.00 0.00 58.73 61.36 1mx7 h TYR 19 Cb 0.73 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1mx7 h TYR 19 CO 0.00 1.32 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.67 1mx7 h LEU 20 N 0.43 0.00 -0.35 2.82 3.38 -1.27 -3.01 115.31 117.32 1mx7 h LEU 20 Ca -0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1mx7 h LEU 20 Cb 1.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1mx7 h LEU 20 CO 0.18 0.10 -0.36 -0.09 0.09 0.00 0.00 178.44 178.37 1mx7 h ARG 21 N 0.00 0.00 0.13 1.13 2.43 -1.33 -2.40 114.38 114.34 1mx7 h ARG 21 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1mx7 h ARG 21 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1mx7 h ARG 21 CO 0.01 0.36 -0.06 0.00 -1.51 0.00 0.00 179.97 178.77 1mx7 h ALA 22 N 1.64 -0.18 -0.25 2.80 0.00 -1.34 -3.29 119.26 118.65 1mx7 h ALA 22 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1mx7 h ALA 22 Cb 1.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1mx7 h ALA 22 CO 0.05 -0.54 0.00 1.47 0.00 0.00 0.00 179.25 180.22 1mx7 n LEU 23 N -5.12 2.62 -3.15 0.00 -0.00 -1.25 -4.87 117.00 105.23 1mx7 n LEU 23 Ca -0.08 -1.70 -0.21 0.00 -0.00 0.00 0.00 56.01 54.01 1mx7 n LEU 23 Cb 0.14 -0.16 0.02 0.00 -0.00 0.00 0.00 43.42 43.42 1mx7 n LEU 23 CO 0.34 0.62 -0.14 0.47 -0.00 0.00 0.00 177.39 178.68 1mx7 n ASP 24 N 0.54 -6.83 -2.29 1.45 8.00 -0.92 -4.90 116.55 111.60 1mx7 n ASP 24 Ca 0.10 0.26 -0.33 0.00 0.71 0.00 0.00 54.79 55.53 1mx7 n ASP 24 Cb 0.38 -3.61 0.08 0.00 -0.02 0.00 0.00 41.12 37.95 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1mx7 n VAL 25 N -0.15 3.55 -0.42 2.53 3.14 -1.12 -5.00 118.33 120.87 1mx7 n VAL 25 Ca 0.02 -2.79 0.00 0.00 -2.96 0.00 0.00 64.34 58.61 1mx7 n VAL 25 Cb 0.54 -1.15 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 1mx7 n VAL 25 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1mx7 n ASN 26 N -0.82 -2.71 0.08 6.55 4.13 -1.26 -4.49 115.26 116.74 1mx7 n ASN 26 Ca 0.60 0.39 -0.09 0.00 1.68 0.00 0.00 54.58 57.16 1mx7 n ASN 26 Cb 0.68 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1mx7 n ASN 26 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1mx7 h VAL 27 N 0.29 1.46 0.00 2.41 2.07 -1.97 -2.85 116.25 117.66 1mx7 h VAL 27 Ca 0.00 -2.49 -0.10 0.00 0.82 0.00 0.00 66.70 64.94 1mx7 h VAL 27 Cb 0.09 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1mx7 h VAL 27 CO 0.00 0.73 -0.45 0.00 0.02 0.00 0.00 177.57 177.87 1mx7 h ALA 28 N 0.96 1.04 0.10 1.67 0.00 -1.99 -1.99 119.26 119.04 1mx7 h ALA 28 Ca -0.04 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 1mx7 h ALA 28 Cb 1.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1mx7 h ALA 28 CO 0.13 0.57 -1.16 1.25 0.00 0.00 0.00 179.25 180.04 1mx7 h LEU 29 N 0.00 0.41 -0.23 0.00 5.85 -1.78 -3.09 115.31 116.46 1mx7 h LEU 29 Ca -0.00 -0.41 -0.19 0.00 0.84 0.00 0.00 57.88 58.11 1mx7 h LEU 29 Cb 0.92 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1mx7 h LEU 29 CO 0.06 1.30 -0.90 -0.09 -0.34 0.00 0.00 178.44 178.47 1mx7 h ARG 30 N 0.09 0.06 -0.44 1.25 2.43 -1.38 -1.54 114.38 114.86 1mx7 h ARG 30 Ca -0.11 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 58.85 1mx7 h ARG 30 Cb 1.88 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 1mx7 h ARG 30 CO 0.19 0.91 -0.27 -0.22 -1.51 0.00 0.00 179.97 179.07 1mx7 h LYS 31 N 0.03 0.94 0.02 0.20 1.63 -1.44 -2.97 116.57 114.98 1mx7 h LYS 31 Ca -0.02 -0.43 -0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1mx7 h LYS 31 Cb 1.57 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.18 1mx7 h LYS 31 CO 0.12 1.09 -0.01 0.82 -3.45 0.00 0.00 179.45 178.03 1mx7 h ILE 32 N 0.80 0.50 -1.00 2.00 2.04 -1.58 -3.37 117.51 116.91 1mx7 h ILE 32 Ca 0.09 -1.34 0.28 0.00 1.00 0.00 0.00 64.86 64.89 1mx7 h ILE 32 Cb 0.85 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1mx7 h ILE 32 CO 0.07 0.17 0.70 0.00 0.00 0.00 0.00 178.15 179.09 1mx7 h ALA 33 N -0.72 2.73 0.00 1.87 0.00 -1.39 -1.18 119.26 120.57 1mx7 h ALA 33 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1mx7 h ALA 33 Cb 0.30 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1mx7 h ALA 33 CO 0.00 -1.04 -0.04 -0.97 0.00 0.00 0.00 179.25 177.21 1mx7 h ASN 34 N 0.12 0.00 0.08 0.00 -0.73 -1.68 -1.91 115.58 111.46 1mx7 h ASN 34 Ca 0.50 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.67 1mx7 h ASN 34 Cb 1.75 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.34 1mx7 h ASN 34 CO -0.08 0.04 -0.54 0.18 -0.37 0.00 0.00 177.43 176.65 1mx7 n LEU 35 N -4.03 1.49 -4.47 0.34 7.99 -0.45 -4.81 117.00 113.07 1mx7 n LEU 35 Ca -0.03 -0.54 -0.43 0.00 -0.01 0.00 0.00 56.01 55.00 1mx7 n LEU 35 Cb 0.12 -0.04 -0.08 0.00 -0.11 0.00 0.00 43.42 43.30 1mx7 n LEU 35 CO 0.30 0.29 0.13 -0.76 -1.51 0.00 0.00 177.39 175.85 1mx7 s LEU 36 N -2.63 4.94 -0.45 2.23 1.43 -0.72 -5.01 118.68 118.47 1mx7 s LEU 36 Ca 0.17 -0.76 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1mx7 s LEU 36 Cb 0.18 -2.38 0.12 0.00 0.03 0.00 0.00 46.19 44.14 1mx7 s LEU 36 CO 0.63 -0.63 0.18 -0.54 0.23 0.00 0.00 176.35 176.22 1mx7 s LYS 37 N 2.16 1.79 1.07 1.70 1.02 -1.26 -4.94 119.74 121.27 1mx7 s LYS 37 Ca 0.12 -2.34 -0.14 0.00 0.02 0.00 0.00 55.97 53.63 1mx7 s LYS 37 Cb -0.18 -3.28 0.23 0.00 -0.52 0.00 0.00 37.83 34.08 1mx7 s LYS 37 CO 0.13 -1.04 1.09 -2.14 -0.92 0.00 0.00 175.35 172.47 1mx7 s PRO 38 N 0.16 -0.17 -0.22 -1.68 0.02 -1.26 -4.95 135.00 126.90 1mx7 s PRO 38 Ca 0.15 0.34 0.02 0.00 0.02 0.00 0.00 61.00 61.53 1mx7 s PRO 38 Cb -0.23 -1.68 0.05 0.00 0.02 0.00 0.00 34.50 32.65 1mx7 s PRO 38 CO -0.03 -3.10 -0.12 -0.51 -0.33 0.00 0.00 177.00 172.91 1mx7 s ASP 39 N -3.53 3.77 0.18 2.53 1.11 -1.23 -4.01 116.67 115.48 1mx7 s ASP 39 Ca 0.67 -1.05 -0.29 0.00 0.18 0.00 0.00 52.55 52.06 1mx7 s ASP 39 Cb -0.17 -1.39 -0.08 0.00 1.07 0.00 0.00 42.92 42.36 1mx7 s ASP 39 CO 0.57 -0.14 0.90 -0.54 1.18 0.00 0.00 175.17 177.14 1mx7 s LYS 40 N 1.27 4.73 -0.25 8.23 1.02 -1.23 -3.77 119.74 129.74 1mx7 s LYS 40 Ca -0.03 1.38 -0.00 0.00 0.02 0.00 0.00 55.97 57.33 1mx7 s LYS 40 Cb -0.17 -3.31 0.07 0.00 -0.52 0.00 0.00 37.83 33.90 1mx7 s LYS 40 CO -0.08 0.43 -0.00 -2.00 -0.92 0.00 0.00 175.35 172.78 1mx7 s GLU 41 N -0.78 1.24 0.13 1.68 2.12 -0.98 -1.59 118.70 120.51 1mx7 s GLU 41 Ca 0.41 -0.94 -0.05 0.00 0.36 0.00 0.00 54.97 54.75 1mx7 s GLU 41 Cb -0.24 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.67 1mx7 s GLU 41 CO 0.29 -0.70 0.36 0.42 -0.54 0.00 0.00 175.26 175.10 1mx7 s ILE 42 N 1.50 5.18 -0.11 -3.70 1.01 -1.25 -3.09 121.20 120.74 1mx7 s ILE 42 Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 1mx7 s ILE 42 Cb -0.18 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.71 1mx7 s ILE 42 CO -0.10 0.08 0.27 0.68 0.00 0.00 0.00 174.94 175.88 1mx7 s VAL 43 N -1.61 -0.03 0.02 2.92 -7.23 -1.12 -2.12 120.40 111.23 1mx7 s VAL 43 Ca 0.39 0.12 0.07 0.00 -1.81 0.00 0.00 61.98 60.76 1mx7 s VAL 43 Cb -0.12 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 1mx7 s VAL 43 CO 0.24 0.05 -0.19 -1.58 -0.31 0.00 0.00 175.10 173.31 1mx7 s GLN 44 N 1.17 2.10 0.05 4.82 0.74 -1.26 -1.67 119.66 125.61 1mx7 s GLN 44 Ca -0.08 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.37 1mx7 s GLN 44 Cb -0.09 -2.18 0.00 0.00 1.10 0.00 0.00 33.01 31.84 1mx7 s GLN 44 CO -0.08 0.55 0.00 -3.47 -0.55 0.00 0.00 175.29 171.74 1mx7 n ASP 45 N 1.75 0.24 -2.96 6.67 2.03 -1.25 -4.94 116.55 118.09 1mx7 n ASP 45 Ca -0.16 0.09 0.03 0.00 0.52 0.00 0.00 54.79 55.26 1mx7 n ASP 45 Cb 0.52 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1mx7 n ASP 45 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1mx7 s GLY 46 N -3.65 -1.34 -1.98 0.27 0.00 -1.26 -4.91 107.32 94.45 1mx7 s GLY 46 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1mx7 s GLY 46 CO 0.00 4.10 0.00 1.22 0.00 0.00 0.00 173.10 178.42 1mx7 n ASP 47 N 4.25 -5.45 -3.40 1.64 9.92 -1.26 -4.86 116.55 117.38 1mx7 n ASP 47 Ca 0.07 0.46 -0.27 0.00 -0.53 0.00 0.00 54.79 54.53 1mx7 n ASP 47 Cb 0.60 -4.59 -0.10 0.00 -0.64 0.00 0.00 41.12 36.40 1mx7 n ASP 47 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1mx7 n HIS 48 N -2.39 -0.40 -2.61 1.24 8.25 -1.26 -3.32 115.22 114.74 1mx7 n HIS 48 Ca -0.19 -3.45 -0.42 0.00 -0.26 0.00 0.00 57.72 53.40 1mx7 n HIS 48 Cb 0.65 0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.80 1mx7 n HIS 48 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1mx7 s MET 49 N -0.33 4.42 -0.07 -0.41 1.75 0.26 -3.81 119.30 121.11 1mx7 s MET 49 Ca 0.33 1.50 0.01 0.00 -1.25 0.00 0.00 55.69 56.28 1mx7 s MET 49 Cb 0.06 -3.52 -0.03 0.00 2.84 0.00 0.00 34.83 34.17 1mx7 s MET 49 CO -0.18 -0.31 -0.07 0.42 -0.65 0.00 0.00 175.02 174.22 1mx7 s ILE 50 N 1.88 3.67 -0.21 10.11 1.01 -0.67 0.12 121.20 137.11 1mx7 s ILE 50 Ca 0.52 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 1mx7 s ILE 50 Cb -0.21 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 39.82 1mx7 s ILE 50 CO 0.21 0.60 0.02 -0.63 0.00 0.00 0.00 174.94 175.14 1mx7 s ILE 51 N -0.77 0.77 -0.29 2.92 1.09 -1.26 -2.77 121.20 120.88 1mx7 s ILE 51 Ca 0.12 -0.75 -0.08 0.00 -1.10 0.00 0.00 60.65 58.84 1mx7 s ILE 51 Cb -0.11 -1.24 -0.01 0.00 -1.06 0.00 0.00 42.46 40.05 1mx7 s ILE 51 CO 0.01 -0.21 0.11 -0.13 -0.10 0.00 0.00 174.94 174.63 1mx7 s ARG 52 N 1.74 3.30 -0.19 2.79 0.52 -1.18 -1.96 118.95 123.98 1mx7 s ARG 52 Ca -0.02 -0.72 -0.07 0.00 -0.52 0.00 0.00 55.73 54.40 1mx7 s ARG 52 Cb -0.17 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1mx7 s ARG 52 CO -0.08 -0.38 0.05 0.99 0.02 0.00 0.00 175.30 175.89 1mx7 s THR 53 N 1.57 4.51 -0.40 0.02 2.01 -1.26 -2.33 115.64 119.76 1mx7 s THR 53 Ca 0.04 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1mx7 s THR 53 Cb -0.17 -3.04 0.11 0.00 0.01 0.00 0.00 72.50 69.41 1mx7 s THR 53 CO 0.04 0.44 0.15 -0.76 -0.69 0.00 0.00 174.62 173.80 1mx7 s LEU 54 N 0.66 4.91 -0.09 4.42 1.43 -1.25 -4.08 118.68 124.69 1mx7 s LEU 54 Ca 0.02 -2.26 -0.01 0.00 -1.03 0.00 0.00 54.13 50.85 1mx7 s LEU 54 Cb -0.13 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1mx7 s LEU 54 CO 0.02 -0.42 -0.03 -0.94 0.23 0.00 0.00 176.35 175.21 1mx7 s SER 55 N 1.05 4.92 0.00 2.29 1.04 -1.26 -3.48 113.70 118.27 1mx7 s SER 55 Ca 0.11 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.63 1mx7 s SER 55 Cb -0.21 -1.38 0.21 0.00 0.10 0.00 0.00 66.02 64.74 1mx7 s SER 55 CO -0.06 0.35 1.15 0.35 0.98 0.00 0.00 173.24 176.01 1mx7 n THR 56 N 2.35 0.11 -0.07 2.02 -2.24 -1.26 -3.81 114.28 111.38 1mx7 n THR 56 Ca -0.18 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 1mx7 n THR 56 Cb 0.53 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1mx7 n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1mx7 n PHE 57 N -0.28 0.00 -3.15 4.78 -0.00 -1.26 -5.02 117.46 112.53 1mx7 n PHE 57 Ca 0.05 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.54 1mx7 n PHE 57 Cb 0.08 -0.49 -0.00 0.00 -0.00 0.00 0.00 39.48 39.06 1mx7 n PHE 57 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1mx7 s ARG 58 N -2.25 0.45 0.89 -4.13 6.06 -1.25 -5.17 118.95 113.55 1mx7 s ARG 58 Ca -0.19 0.54 -0.12 0.00 -2.50 0.00 0.00 55.73 53.46 1mx7 s ARG 58 Cb 0.06 0.27 0.13 0.00 0.06 0.00 0.00 34.95 35.47 1mx7 s ARG 58 CO 0.26 -0.76 1.15 -0.80 -2.50 0.00 0.00 175.30 172.65 1mx7 s ASN 59 N 2.87 3.71 -0.40 -2.12 -0.87 -1.26 -4.73 114.94 112.14 1mx7 s ASN 59 Ca 0.15 0.92 0.10 0.00 -1.57 0.00 0.00 52.86 52.46 1mx7 s ASN 59 Cb -0.09 -1.47 0.37 0.00 -0.02 0.00 0.00 41.25 40.03 1mx7 s ASN 59 CO -0.23 -2.42 1.04 0.00 -2.57 0.00 0.00 177.10 172.91 1mx7 n TYR 60 N -3.68 -1.33 -1.44 2.20 4.11 -1.26 -5.04 117.16 110.73 1mx7 n TYR 60 Ca 0.07 -2.64 -0.54 0.00 -0.00 0.00 0.00 57.90 54.79 1mx7 n TYR 60 Cb 0.60 0.76 -0.06 0.00 -0.00 0.00 0.00 39.34 40.64 1mx7 n TYR 60 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 1mx7 n ILE 61 N 0.06 0.82 -3.59 -3.48 2.08 -1.26 -4.80 119.36 109.19 1mx7 n ILE 61 Ca 0.10 -0.21 -0.20 0.00 0.56 0.00 0.00 62.75 63.00 1mx7 n ILE 61 Cb 0.74 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 39.65 1mx7 n ILE 61 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 1mx7 n MET 62 N 1.28 0.77 -2.95 0.38 2.81 -0.83 -5.04 117.12 113.54 1mx7 n MET 62 Ca 0.19 -2.78 0.00 0.00 -1.81 0.00 0.00 57.70 53.30 1mx7 n MET 62 Cb 0.15 0.16 0.00 0.00 -0.71 0.00 0.00 33.22 32.82 1mx7 n MET 62 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1mx7 s ASP 63 N -3.77 -1.01 0.46 7.83 -4.77 -1.26 -4.27 116.67 109.88 1mx7 s ASP 63 Ca 0.33 -0.66 0.00 0.00 -3.30 0.00 0.00 52.55 48.93 1mx7 s ASP 63 Cb -0.03 1.29 -0.00 0.00 -1.09 0.00 0.00 42.92 43.10 1mx7 s ASP 63 CO 0.21 -0.09 0.68 -0.36 0.70 0.00 0.00 175.17 176.31 1mx7 s PHE 64 N 1.68 3.19 -0.08 2.11 0.40 0.32 -4.98 117.98 120.62 1mx7 s PHE 64 Ca 0.18 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.73 1mx7 s PHE 64 Cb 0.00 -2.35 0.02 0.00 0.51 0.00 0.00 43.02 41.20 1mx7 s PHE 64 CO -0.10 -0.40 -0.08 -0.65 0.70 0.00 0.00 175.22 174.69 1mx7 s GLN 65 N -4.57 1.38 -0.86 0.44 -1.52 -1.26 -0.58 119.66 112.69 1mx7 s GLN 65 Ca 0.49 -0.25 -0.25 0.00 -1.95 0.00 0.00 55.36 53.40 1mx7 s GLN 65 Cb -0.10 -1.34 0.04 0.00 -0.22 0.00 0.00 33.01 31.39 1mx7 s GLN 65 CO 0.38 -0.13 1.35 0.08 -0.25 0.00 0.00 175.29 176.72 1mx7 s VAL 66 N 1.22 3.82 0.00 1.09 1.01 -1.21 -3.72 120.40 122.62 1mx7 s VAL 66 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1mx7 s VAL 66 Cb -0.14 -4.98 0.00 0.00 0.00 0.00 0.00 36.38 31.26 1mx7 s VAL 66 CO -0.02 -1.89 0.00 0.61 0.00 0.00 0.00 175.10 173.80 1mx7 n GLY 67 N 6.05 1.02 3.58 4.51 0.00 -1.15 -4.85 105.19 114.34 1mx7 n GLY 67 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1mx7 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mx7 s LYS 68 N -0.02 0.90 -0.13 1.61 2.20 -1.24 -5.07 119.74 117.99 1mx7 s LYS 68 Ca 0.00 0.61 -0.18 0.00 -0.36 0.00 0.00 55.97 56.04 1mx7 s LYS 68 Cb 0.00 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.71 1mx7 s LYS 68 CO 0.00 -0.20 0.48 -2.00 -0.36 0.00 0.00 175.35 173.27 1mx7 s GLU 69 N -0.38 4.32 -0.04 4.03 2.12 -1.26 -4.34 118.70 123.15 1mx7 s GLU 69 Ca -0.05 0.44 0.14 0.00 0.36 0.00 0.00 54.97 55.86 1mx7 s GLU 69 Cb -0.03 -3.45 0.24 0.00 0.26 0.00 0.00 34.13 31.15 1mx7 s GLU 69 CO 0.04 0.12 1.11 1.97 -0.54 0.00 0.00 175.26 177.96 1mx7 n PHE 70 N 3.83 -0.05 -2.87 5.30 -1.74 -1.25 -5.08 117.46 115.60 1mx7 n PHE 70 Ca -0.07 -0.67 -0.18 0.00 -0.56 0.00 0.00 57.45 55.98 1mx7 n PHE 70 Cb 0.51 0.23 0.02 0.00 1.52 0.00 0.00 39.48 41.77 1mx7 n PHE 70 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1mx7 n GLU 71 N 0.09 -0.95 -0.06 3.97 0.00 -1.26 -4.69 120.64 117.75 1mx7 n GLU 71 Ca -0.10 0.91 0.04 0.00 0.00 0.00 0.00 57.16 58.00 1mx7 n GLU 71 Cb 0.91 -1.24 0.08 0.00 0.00 0.00 0.00 31.44 31.20 1mx7 n GLU 71 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1mx7 n GLU 72 N 0.44 -0.01 -1.91 3.44 2.13 -1.25 -4.83 120.64 118.64 1mx7 n GLU 72 Ca -0.04 0.26 -0.00 0.00 0.66 0.00 0.00 57.16 58.04 1mx7 n GLU 72 Cb 0.49 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.76 1mx7 n GLU 72 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1mx7 n ASP 73 N -3.72 -4.04 -3.70 4.31 -0.08 -1.26 -4.98 116.55 103.09 1mx7 n ASP 73 Ca 0.06 0.48 -0.39 0.00 -1.51 0.00 0.00 54.79 53.42 1mx7 n ASP 73 Cb 0.18 -2.47 -0.00 0.00 2.34 0.00 0.00 41.12 41.18 1mx7 n ASP 73 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1mx7 n LEU 74 N 0.22 6.26 -1.78 -2.67 4.77 -1.26 -4.74 117.00 117.80 1mx7 n LEU 74 Ca 0.00 -5.35 -0.18 0.00 -0.03 0.00 0.00 56.01 50.45 1mx7 n LEU 74 Cb 0.00 -1.09 0.15 0.00 -2.33 0.00 0.00 43.42 40.15 1mx7 n LEU 74 CO 0.15 1.93 0.93 0.35 -1.33 0.00 0.00 177.39 179.42 1mx7 n THR 75 N 0.61 2.93 -0.01 -5.08 -2.24 -1.26 -0.41 114.28 108.83 1mx7 n THR 75 Ca 0.34 -2.77 -0.00 0.00 -2.27 0.00 0.00 64.05 59.35 1mx7 n THR 75 Cb 0.32 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 1mx7 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mx7 n GLY 76 N -1.04 -0.15 0.00 3.38 0.00 -1.26 -4.88 105.19 101.23 1mx7 n GLY 76 Ca 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1mx7 n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mx7 n ILE 77 N -1.95 0.00 -0.51 -0.61 -0.00 -1.26 -4.92 119.36 110.12 1mx7 n ILE 77 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.60 1mx7 n ILE 77 Cb 0.43 -0.20 0.04 0.00 -0.00 0.00 0.00 39.64 39.92 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1mx7 n ASP 78 N -0.99 5.31 -1.03 4.38 5.75 -1.26 -4.95 116.55 123.75 1mx7 n ASP 78 Ca 0.00 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 1mx7 n ASP 78 Cb 0.00 -0.93 0.00 0.00 -1.03 0.00 0.00 41.12 39.16 1mx7 n ASP 78 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1mx7 n ASP 79 N 0.37 0.00 -3.16 -1.12 -0.08 -1.20 -4.91 116.55 106.45 1mx7 n ASP 79 Ca 0.23 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.54 1mx7 n ASP 79 Cb 0.68 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.14 1mx7 n ASP 79 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1mx7 s ARG 80 N -0.60 0.63 0.10 -0.67 3.52 0.46 -4.97 118.95 117.43 1mx7 s ARG 80 Ca 0.00 0.22 -0.31 0.00 -0.13 0.00 0.00 55.73 55.51 1mx7 s ARG 80 Cb 0.00 0.18 -0.08 0.00 -1.56 0.00 0.00 34.95 33.49 1mx7 s ARG 80 CO 0.00 -1.06 1.46 0.21 -0.81 0.00 0.00 175.30 175.11 1mx7 s LYS 81 N 2.45 4.28 0.42 5.12 2.20 -1.26 -4.16 119.74 128.79 1mx7 s LYS 81 Ca 0.13 2.15 0.05 0.00 -0.36 0.00 0.00 55.97 57.95 1mx7 s LYS 81 Cb -0.07 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 32.86 1mx7 s LYS 81 CO -0.19 -0.53 0.02 0.00 -0.36 0.00 0.00 175.35 174.29 1mx7 s MET 83 N -3.76 3.11 0.04 0.00 -1.94 -1.26 -3.78 119.30 111.72 1mx7 s MET 83 Ca 0.29 -0.86 0.08 0.00 -1.71 0.00 0.00 55.69 53.49 1mx7 s MET 83 Cb 0.08 -4.05 -0.03 0.00 2.01 0.00 0.00 34.83 32.85 1mx7 s MET 83 CO 0.15 -1.06 -0.23 0.99 -0.01 0.00 0.00 175.02 174.86 1mx7 s THR 84 N 2.36 1.83 -0.05 2.05 2.01 -1.26 -2.13 115.64 120.45 1mx7 s THR 84 Ca 0.13 -1.23 -0.00 0.00 0.31 0.00 0.00 61.69 60.90 1mx7 s THR 84 Cb -0.19 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.77 1mx7 s THR 84 CO 0.12 0.29 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.45 1mx7 s THR 85 N -0.77 0.29 0.05 -0.82 2.01 -1.20 -3.76 115.64 111.45 1mx7 s THR 85 Ca 0.09 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.17 1mx7 s THR 85 Cb -0.09 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1mx7 s THR 85 CO 0.02 0.20 0.20 0.54 -0.69 0.00 0.00 174.62 174.89 1mx7 s VAL 86 N 1.42 5.38 -0.02 3.82 0.11 -1.26 -3.60 120.40 126.25 1mx7 s VAL 86 Ca -0.04 -0.37 -0.28 0.00 -2.93 0.00 0.00 61.98 58.35 1mx7 s VAL 86 Cb -0.13 -3.61 0.10 0.00 -1.53 0.00 0.00 36.38 31.21 1mx7 s VAL 86 CO -0.03 0.16 0.85 -0.55 -3.33 0.00 0.00 175.10 172.20 1mx7 s SER 87 N -2.45 -0.43 -0.39 3.54 0.15 -1.06 -2.92 113.70 110.14 1mx7 s SER 87 Ca 0.34 0.16 -0.16 0.00 0.70 0.00 0.00 55.95 56.99 1mx7 s SER 87 Cb -0.13 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.60 1mx7 s SER 87 CO 0.27 -0.61 0.38 -1.66 1.20 0.00 0.00 173.24 172.82 1mx7 s TRP 88 N -2.58 3.20 -0.64 3.44 -2.14 -1.26 -1.86 118.94 117.10 1mx7 s TRP 88 Ca 0.01 -0.26 0.04 0.00 2.66 0.00 0.00 56.10 58.54 1mx7 s TRP 88 Cb -0.01 -2.74 0.16 0.00 -3.10 0.00 0.00 33.47 27.78 1mx7 s TRP 88 CO -0.05 -0.56 0.41 -0.51 -2.66 0.00 0.00 176.95 173.58 1mx7 s ASP 89 N 1.76 4.73 0.22 -2.66 1.01 -1.19 -4.97 116.67 115.57 1mx7 s ASP 89 Ca 0.11 -3.43 0.00 0.00 0.71 0.00 0.00 52.55 49.94 1mx7 s ASP 89 Cb -0.17 -1.67 0.00 0.00 1.01 0.00 0.00 42.92 42.08 1mx7 s ASP 89 CO 0.12 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 175.94 1mx7 n GLY 90 N 2.57 0.78 2.07 0.21 0.00 -1.26 -3.92 105.19 105.65 1mx7 n GLY 90 Ca 0.13 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 1mx7 n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx7 n ASP 91 N 2.06 5.26 -4.38 1.61 5.68 -1.26 -4.94 116.55 120.58 1mx7 n ASP 91 Ca 0.00 -3.73 -0.23 0.00 -0.50 0.00 0.00 54.79 50.33 1mx7 n ASP 91 Cb 0.00 -0.81 -0.10 0.00 -1.14 0.00 0.00 41.12 39.08 1mx7 n ASP 91 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1mx7 s LYS 92 N -3.54 1.75 -0.41 0.11 1.02 -1.25 -4.61 119.74 112.80 1mx7 s LYS 92 Ca 0.57 -2.00 0.01 0.00 0.02 0.00 0.00 55.97 54.58 1mx7 s LYS 92 Cb 0.47 -0.84 0.14 0.00 -0.52 0.00 0.00 37.83 37.09 1mx7 s LYS 92 CO 0.03 -0.27 0.23 -1.17 -0.92 0.00 0.00 175.35 173.26 1mx7 s LEU 93 N -3.53 2.05 0.57 3.17 2.96 -1.10 -3.14 118.68 119.66 1mx7 s LEU 93 Ca 0.32 -2.49 -0.16 0.00 -0.22 0.00 0.00 54.13 51.58 1mx7 s LEU 93 Cb 0.07 -0.79 -0.05 0.00 0.50 0.00 0.00 46.19 45.92 1mx7 s LEU 93 CO 0.15 -0.28 1.04 -1.10 -1.32 0.00 0.00 176.35 174.83 1mx7 s GLN 94 N 0.59 3.50 -0.07 1.98 1.11 -0.77 -2.90 119.66 123.09 1mx7 s GLN 94 Ca 0.18 1.11 -0.04 0.00 0.01 0.00 0.00 55.36 56.62 1mx7 s GLN 94 Cb -0.23 -2.06 0.03 0.00 -1.01 0.00 0.00 33.01 29.74 1mx7 s GLN 94 CO -0.00 -0.65 0.16 0.00 0.01 0.00 0.00 175.29 174.81 1mx7 s VAL 96 N 0.78 0.29 -0.18 0.00 1.01 -1.24 -3.42 120.40 117.65 1mx7 s VAL 96 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1mx7 s VAL 96 Cb -0.07 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1mx7 s VAL 96 CO -0.04 0.14 -0.18 -1.10 0.00 0.00 0.00 175.10 173.93 1mx7 s GLN 97 N 0.66 3.07 -1.00 2.72 1.11 -1.24 -3.22 119.66 121.77 1mx7 s GLN 97 Ca -0.07 -0.80 -0.17 0.00 0.01 0.00 0.00 55.36 54.33 1mx7 s GLN 97 Cb -0.10 -2.62 0.15 0.00 -1.01 0.00 0.00 33.01 29.43 1mx7 s GLN 97 CO -0.01 -0.16 1.17 0.15 0.01 0.00 0.00 175.29 176.45 1mx7 s LYS 98 N 1.22 3.74 -0.52 2.91 1.02 -0.91 -4.82 119.74 122.37 1mx7 s LYS 98 Ca 0.03 -2.06 0.06 0.00 0.02 0.00 0.00 55.97 54.01 1mx7 s LYS 98 Cb -0.14 -4.90 0.21 0.00 -0.52 0.00 0.00 37.83 32.48 1mx7 s LYS 98 CO -0.09 -1.72 0.51 0.41 -0.92 0.00 0.00 175.35 173.54 1mx7 n GLY 99 N 4.95 3.31 2.69 -3.33 0.00 -1.26 -3.97 105.19 107.58 1mx7 n GLY 99 Ca 0.26 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 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 1.87 -0.91 -4.25 1.61 0.28 -1.26 -4.88 120.64 113.10 1mx7 n GLU 100 Ca 0.25 0.05 -0.14 0.00 -0.16 0.00 0.00 57.16 57.17 1mx7 n GLU 100 Cb 0.45 -1.89 -0.10 0.00 1.43 0.00 0.00 31.44 31.32 1mx7 n GLU 100 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1mx7 s LYS 101 N -3.47 1.07 0.13 3.44 -0.14 -1.26 -5.04 119.74 114.46 1mx7 s LYS 101 Ca 0.33 -1.46 -0.08 0.00 -1.36 0.00 0.00 55.97 53.40 1mx7 s LYS 101 Cb -0.19 -0.64 -0.08 0.00 -1.68 0.00 0.00 37.83 35.24 1mx7 s LYS 101 CO 0.40 0.08 1.34 0.93 -0.76 0.00 0.00 175.35 177.34 1mx7 h GLU 102 N 2.77 0.63 -4.08 1.68 4.39 -1.96 -3.45 114.58 114.57 1mx7 h GLU 102 Ca -0.37 -0.53 -0.36 0.00 0.34 0.00 0.00 59.36 58.44 1mx7 h GLU 102 Cb 1.19 0.12 -0.32 0.00 -0.10 0.00 0.00 28.75 29.64 1mx7 h GLU 102 CO 0.63 1.15 -0.76 0.20 -1.16 0.00 0.00 179.01 179.08 1mx7 s GLY 103 N -4.21 0.32 0.00 -3.84 0.00 -1.26 -4.81 107.32 93.52 1mx7 s GLY 103 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1mx7 s GLY 103 CO 0.88 0.21 0.00 0.54 0.00 0.00 0.00 173.10 174.73 1mx7 n ARG 104 N 3.61 0.00 0.00 2.90 5.12 -1.26 -1.77 116.66 125.26 1mx7 n ARG 104 Ca -0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1mx7 n ARG 104 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 1mx7 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mx7 n GLY 105 N 0.00 2.32 3.59 -0.13 0.00 -1.25 -3.62 105.19 106.09 1mx7 n GLY 105 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.68 0.89 -3.54 1.61 8.01 -1.22 -2.26 117.44 120.25 1mx7 n TRP 106 Ca 0.00 -2.56 -0.14 0.00 -1.31 0.00 0.00 57.50 53.50 1mx7 n TRP 106 Cb 0.00 -0.24 -0.05 0.00 -2.01 0.00 0.00 31.31 29.01 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 -2.92 0.00 0.03 -0.99 2.01 -0.79 -3.02 115.64 109.96 1mx7 s THR 107 Ca 0.06 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1mx7 s THR 107 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1mx7 s THR 107 CO 0.04 0.00 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.37 1mx7 s GLN 108 N -1.49 0.38 -0.28 4.92 2.00 -1.14 -2.82 119.66 121.23 1mx7 s GLN 108 Ca -0.05 -0.72 -0.23 0.00 -2.00 0.00 0.00 55.36 52.37 1mx7 s GLN 108 Cb -0.00 0.14 0.12 0.00 0.80 0.00 0.00 33.01 34.06 1mx7 s GLN 108 CO 0.03 -0.07 0.98 1.67 -0.50 0.00 0.00 175.29 177.41 1mx7 s TRP 109 N -1.94 -0.55 -0.35 1.67 -2.14 -1.05 -2.73 118.94 111.85 1mx7 s TRP 109 Ca -0.11 1.26 -0.15 0.00 2.66 0.00 0.00 56.10 59.75 1mx7 s TRP 109 Cb -0.06 0.37 -0.01 0.00 -3.10 0.00 0.00 33.47 30.66 1mx7 s TRP 109 CO -0.03 -0.27 0.38 0.42 -2.66 0.00 0.00 176.95 174.79 1mx7 s ILE 110 N 0.54 5.15 0.35 0.66 1.01 -1.26 -1.68 121.20 125.97 1mx7 s ILE 110 Ca -0.00 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1mx7 s ILE 110 Cb -0.05 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1mx7 s ILE 110 CO -0.08 -0.12 0.53 -0.70 0.00 0.00 0.00 174.94 174.57 1mx7 s GLU 111 N 2.05 3.33 -0.36 2.79 2.12 -0.29 -4.98 118.70 123.35 1mx7 s GLU 111 Ca 0.12 -0.55 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 1mx7 s GLU 111 Cb -0.17 -2.70 -0.07 0.00 0.26 0.00 0.00 34.13 31.45 1mx7 s GLU 111 CO 0.12 0.09 2.31 0.41 -0.54 0.00 0.00 175.26 177.65 1mx7 n GLY 112 N -1.76 0.59 2.50 -1.50 0.00 -1.26 -1.24 105.19 102.52 1mx7 n GLY 112 Ca -0.04 0.78 -0.02 0.00 0.00 0.00 0.00 46.02 46.74 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 12.83 -4.55 -3.66 1.61 8.00 -1.26 -4.98 116.55 124.54 1mx7 n ASP 113 Ca 0.36 0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.82 1mx7 n ASP 113 Cb 0.43 -2.23 -0.10 0.00 -0.02 0.00 0.00 41.12 39.21 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 -1.40 0.32 0.21 -1.24 2.02 -0.38 -3.61 118.70 114.62 1mx7 s GLU 114 Ca 0.00 1.01 -0.30 0.00 0.02 0.00 0.00 54.97 55.70 1mx7 s GLU 114 Cb 0.00 0.30 -0.08 0.00 0.10 0.00 0.00 34.13 34.44 1mx7 s GLU 114 CO 0.00 -0.25 1.01 -1.17 0.02 0.00 0.00 175.26 174.87 1mx7 s LEU 115 N 2.53 4.57 -0.26 1.80 2.96 -1.25 -1.14 118.68 127.89 1mx7 s LEU 115 Ca -0.02 2.00 0.01 0.00 -0.22 0.00 0.00 54.13 55.90 1mx7 s LEU 115 Cb -0.12 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.01 1mx7 s LEU 115 CO -0.13 -0.02 -0.08 -2.28 -1.32 0.00 0.00 176.35 172.52 1mx7 s HIS 116 N -0.75 3.18 -0.08 5.38 2.46 -0.68 -3.26 115.29 121.55 1mx7 s HIS 116 Ca 0.45 -2.00 0.04 0.00 0.47 0.00 0.00 55.06 54.01 1mx7 s HIS 116 Cb -0.27 -2.00 0.00 0.00 -0.13 0.00 0.00 32.58 30.18 1mx7 s HIS 116 CO 0.34 -0.83 -0.21 -1.17 -2.47 0.00 0.00 174.74 170.40 1mx7 s LEU 117 N 1.20 1.97 0.05 8.88 2.96 -1.21 -2.54 118.68 130.00 1mx7 s LEU 117 Ca -0.05 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1mx7 s LEU 117 Cb -0.19 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1mx7 s LEU 117 CO -0.05 0.15 -0.08 -1.83 -1.32 0.00 0.00 176.35 173.22 1mx7 s GLU 118 N 0.26 0.60 0.15 1.98 -1.05 -1.13 -1.19 118.70 118.31 1mx7 s GLU 118 Ca -0.13 -0.88 -0.19 0.00 -0.15 0.00 0.00 54.97 53.63 1mx7 s GLU 118 Cb -0.16 -0.29 0.05 0.00 -0.44 0.00 0.00 34.13 33.29 1mx7 s GLU 118 CO 0.06 0.04 0.49 0.00 0.95 0.00 0.00 175.26 176.80 1mx7 s MET 119 N -2.02 1.18 0.35 -4.83 0.23 -0.99 -1.89 119.30 111.33 1mx7 s MET 119 Ca -0.06 -0.63 0.07 0.00 -1.03 0.00 0.00 55.69 54.05 1mx7 s MET 119 Cb -0.07 0.52 -0.03 0.00 -1.53 0.00 0.00 34.83 33.72 1mx7 s MET 119 CO -0.01 -0.49 0.27 1.03 -2.03 0.00 0.00 175.02 173.79 1mx7 s ARG 120 N -3.79 1.80 -0.29 3.16 0.52 -0.96 -1.18 118.95 118.21 1mx7 s ARG 120 Ca 0.03 -2.06 -0.18 0.00 -0.52 0.00 0.00 55.73 53.00 1mx7 s ARG 120 Cb 0.00 0.22 0.17 0.00 0.52 0.00 0.00 34.95 35.86 1mx7 s ARG 120 CO -0.12 -0.64 1.14 0.00 0.02 0.00 0.00 175.30 175.70 1mx7 s ALA 121 N -3.39 -2.37 -0.94 2.13 0.00 -0.68 -3.90 121.76 112.60 1mx7 s ALA 121 Ca 0.39 2.02 -0.27 0.00 0.00 0.00 0.00 51.96 54.10 1mx7 s ALA 121 Cb 0.02 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 21.39 1mx7 s ALA 121 CO 0.27 -0.29 0.53 -1.91 0.00 0.00 0.00 175.76 174.35 1mx7 n GLU 122 N 3.04 -0.42 -1.02 0.00 2.13 -0.73 0.38 120.64 124.02 1mx7 n GLU 122 Ca -0.16 -0.05 -0.01 0.00 0.66 0.00 0.00 57.16 57.60 1mx7 n GLU 122 Cb 0.57 -1.68 -0.00 0.00 0.27 0.00 0.00 31.44 30.59 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 -1.83 0.16 3.72 8.31 0.00 -1.26 -4.91 105.19 109.38 1mx7 n GLY 123 Ca -0.09 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1mx7 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mx7 s VAL 124 N -1.27 4.17 -0.02 1.61 1.01 0.16 -5.10 120.40 120.96 1mx7 s VAL 124 Ca 0.00 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.04 1mx7 s VAL 124 Cb 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1mx7 s VAL 124 CO 0.00 0.05 -0.24 -0.89 0.00 0.00 0.00 175.10 174.03 1mx7 s THR 125 N -1.46 1.86 0.30 3.92 2.01 -1.26 -1.69 115.64 119.32 1mx7 s THR 125 Ca 0.28 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1mx7 s THR 125 Cb -0.11 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1mx7 s THR 125 CO 0.20 0.53 0.19 0.00 -0.69 0.00 0.00 174.62 174.85 1mx7 n LYS 127 N -0.55 0.00 -4.46 0.00 2.85 -1.13 -2.34 118.16 112.53 1mx7 n LYS 127 Ca 0.03 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.07 1mx7 n LYS 127 Cb 0.64 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.86 1mx7 n LYS 127 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1mx7 s GLN 128 N -2.00 1.21 -0.81 -1.58 -0.21 -0.33 -0.24 119.66 115.69 1mx7 s GLN 128 Ca 0.00 -0.34 -0.14 0.00 0.02 0.00 0.00 55.36 54.90 1mx7 s GLN 128 Cb 0.00 -1.08 0.21 0.00 1.00 0.00 0.00 33.01 33.14 1mx7 s GLN 128 CO 0.00 0.08 0.75 0.08 -2.12 0.00 0.00 175.29 174.08 1mx7 s VAL 129 N 0.39 5.57 0.71 1.09 1.01 -0.59 -3.30 120.40 125.27 1mx7 s VAL 129 Ca -0.07 -2.43 -0.10 0.00 0.00 0.00 0.00 61.98 59.38 1mx7 s VAL 129 Cb -0.11 -4.45 0.03 0.00 0.00 0.00 0.00 36.38 31.85 1mx7 s VAL 129 CO 0.01 -1.02 1.07 -0.36 0.00 0.00 0.00 175.10 174.80 1mx7 s PHE 130 N 0.23 3.17 -0.08 5.22 0.08 -1.20 -2.81 117.98 122.58 1mx7 s PHE 130 Ca 0.17 0.82 -0.03 0.00 0.12 0.00 0.00 56.93 58.00 1mx7 s PHE 130 Cb -0.11 -3.12 0.04 0.00 -0.57 0.00 0.00 43.02 39.26 1mx7 s PHE 130 CO -0.08 -1.28 0.17 0.21 -0.10 0.00 0.00 175.22 174.14 1mx7 s LYS 131 N -5.32 0.10 0.32 0.44 2.36 -1.18 -3.90 119.74 112.55 1mx7 s LYS 131 Ca 0.58 0.47 -0.27 0.00 -2.55 0.00 0.00 55.97 54.20 1mx7 s LYS 131 Cb -0.11 -0.18 -0.09 0.00 -1.05 0.00 0.00 37.83 36.40 1mx7 s LYS 131 CO 0.49 -0.20 1.00 0.21 1.55 0.00 0.00 175.35 178.40 1mx7 s LYS 132 N 1.52 4.54 0.02 4.03 2.20 -1.24 -2.85 119.74 127.96 1mx7 s LYS 132 Ca -0.06 1.51 0.22 0.00 -0.36 0.00 0.00 55.97 57.28 1mx7 s LYS 132 Cb -0.12 -2.91 -0.11 0.00 -1.51 0.00 0.00 37.83 33.18 1mx7 s LYS 132 CO -0.07 0.21 0.88 1.55 -0.36 0.00 0.00 175.35 177.56 1mx7 n VAL 133 N 0.72 0.08 1.75 4.02 3.14 -1.26 -4.96 118.33 121.82 1mx7 n VAL 133 Ca 0.01 -0.22 0.14 0.00 -2.96 0.00 0.00 64.34 61.31 1mx7 n VAL 133 Cb 0.48 0.40 0.83 0.00 -1.06 0.00 0.00 33.84 34.50 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94