#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 -0.51 -2.70 -1.45 3.14 -1.26 -4.85 118.33 110.71 1mx7 n VAL 2 Ca 0.00 -0.12 -0.28 0.00 -2.96 0.00 0.00 64.34 60.98 1mx7 n VAL 2 Cb 0.00 -0.43 -0.02 0.00 -1.06 0.00 0.00 33.84 32.33 1mx7 n VAL 2 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1mx7 n ASP 3 N 0.30 4.90 0.12 6.55 5.75 -1.26 -4.86 116.55 128.04 1mx7 n ASP 3 Ca -0.02 -3.71 0.06 0.00 -0.01 0.00 0.00 54.79 51.10 1mx7 n ASP 3 Cb 0.11 -0.58 0.30 0.00 -1.03 0.00 0.00 41.12 39.92 1mx7 n ASP 3 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1mx7 n PHE 4 N -0.34 0.38 -1.65 2.11 3.72 -1.26 -4.75 117.46 115.66 1mx7 n PHE 4 Ca 0.36 0.20 -0.47 0.00 -0.05 0.00 0.00 57.45 57.49 1mx7 n PHE 4 Cb 0.48 -0.67 -0.04 0.00 -0.94 0.00 0.00 39.48 38.31 1mx7 n PHE 4 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1mx7 n ASN 5 N -1.90 2.74 0.00 4.37 2.85 -1.26 -4.68 115.26 117.38 1mx7 n ASN 5 Ca -0.01 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.57 1mx7 n ASN 5 Cb 0.22 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 39.85 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mx7 n GLY 6 N 2.93 2.91 3.50 8.20 0.00 -1.21 -4.96 105.19 116.56 1mx7 n GLY 6 Ca 0.16 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.00 3.13 0.04 1.61 2.02 -1.26 -0.46 117.35 120.43 1mx7 s TYR 7 Ca 0.00 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 1mx7 s TYR 7 Cb 0.00 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1mx7 s TYR 7 CO 0.00 -0.24 -0.12 1.67 -1.57 0.00 0.00 175.55 175.29 1mx7 s TRP 8 N 1.42 2.71 -0.17 2.71 1.48 0.45 -3.26 118.94 124.29 1mx7 s TRP 8 Ca 0.06 -0.16 0.01 0.00 -1.06 0.00 0.00 56.10 54.95 1mx7 s TRP 8 Cb -0.15 -1.51 0.02 0.00 -1.16 0.00 0.00 33.47 30.68 1mx7 s TRP 8 CO 0.04 0.33 -0.18 -1.59 -4.06 0.00 0.00 176.95 171.50 1mx7 s LYS 9 N -1.60 2.71 0.37 3.25 -2.85 -1.25 0.16 119.74 120.51 1mx7 s LYS 9 Ca 0.17 -0.72 -0.27 0.00 -1.00 0.00 0.00 55.97 54.15 1mx7 s LYS 9 Cb -0.11 -2.38 -0.09 0.00 -2.06 0.00 0.00 37.83 33.19 1mx7 s LYS 9 CO 0.08 -0.22 1.23 0.00 0.10 0.00 0.00 175.35 176.54 1mx7 s MET 10 N 1.37 4.18 -0.19 1.78 0.23 -1.26 -2.70 119.30 122.71 1mx7 s MET 10 Ca 0.05 2.02 0.10 0.00 -1.03 0.00 0.00 55.69 56.83 1mx7 s MET 10 Cb -0.13 -2.86 -0.22 0.00 -1.53 0.00 0.00 34.83 30.09 1mx7 s MET 10 CO -0.12 -0.27 0.09 -0.11 -2.03 0.00 0.00 175.02 172.58 1mx7 n LEU 11 N 0.41 1.25 -3.69 0.18 7.94 0.15 -4.95 117.00 118.28 1mx7 n LEU 11 Ca 0.02 0.04 -0.14 0.00 -1.11 0.00 0.00 56.01 54.82 1mx7 n LEU 11 Cb 0.44 -0.11 -0.07 0.00 0.53 0.00 0.00 43.42 44.21 1mx7 n LEU 11 CO 0.55 0.65 0.14 -0.94 -1.11 0.00 0.00 177.39 176.67 1mx7 s SER 12 N -6.02 -0.29 -0.03 1.96 1.04 -1.22 -4.96 113.70 104.17 1mx7 s SER 12 Ca -0.18 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.40 1mx7 s SER 12 Cb 0.07 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1mx7 s SER 12 CO 0.76 -0.57 -0.05 0.20 0.98 0.00 0.00 173.24 174.56 1mx7 s ASN 13 N -1.61 0.82 0.18 7.02 -0.87 -1.26 -2.99 114.94 116.23 1mx7 s ASN 13 Ca -0.10 -0.11 0.04 0.00 -1.57 0.00 0.00 52.86 51.12 1mx7 s ASN 13 Cb -0.02 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.25 40.83 1mx7 s ASN 13 CO 0.02 -0.02 -0.05 -1.61 -2.57 0.00 0.00 177.10 172.87 1mx7 s GLU 14 N 0.62 1.14 0.00 -0.60 0.41 -1.10 -4.85 118.70 114.33 1mx7 s GLU 14 Ca -0.08 -1.53 0.00 0.00 -0.41 0.00 0.00 54.97 52.95 1mx7 s GLU 14 Cb -0.11 -0.53 0.00 0.00 -1.78 0.00 0.00 34.13 31.71 1mx7 s GLU 14 CO -0.00 -0.02 0.00 0.09 -0.49 0.00 0.00 175.26 174.84 1mx7 n ASN 15 N -0.27 -0.51 0.12 -0.19 4.13 -1.26 -4.00 115.26 113.27 1mx7 n ASN 15 Ca -0.08 0.26 0.02 0.00 1.68 0.00 0.00 54.58 56.45 1mx7 n ASN 15 Cb 0.62 -0.70 0.36 0.00 -1.54 0.00 0.00 39.78 38.52 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 0.00 0.24 -0.53 3.10 3.57 -1.90 -2.52 116.94 118.90 1mx7 h PHE 16 Ca 0.00 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1mx7 h PHE 16 Cb 0.51 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1mx7 h PHE 16 CO 0.46 0.41 0.04 1.49 -2.23 0.00 0.00 178.31 178.48 1mx7 h GLU 17 N 0.21 0.90 0.00 1.11 4.22 -1.97 -2.73 114.58 116.32 1mx7 h GLU 17 Ca 0.04 -0.27 -0.04 0.00 0.08 0.00 0.00 59.36 59.17 1mx7 h GLU 17 Cb 0.47 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1mx7 h GLU 17 CO 0.03 0.91 -0.21 0.93 -2.18 0.00 0.00 179.01 178.49 1mx7 h GLU 18 N 0.78 0.00 -0.40 1.92 5.08 -1.95 -3.15 114.58 116.86 1mx7 h GLU 18 Ca 0.15 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1mx7 h GLU 18 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1mx7 h GLU 18 CO 0.02 0.21 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.16 1mx7 h TYR 19 N 0.00 0.82 -0.25 4.33 5.03 -1.16 -1.81 116.97 123.93 1mx7 h TYR 19 Ca -0.00 -0.16 -0.19 0.00 2.58 0.00 0.00 58.73 60.96 1mx7 h TYR 19 Cb 1.15 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.22 1mx7 h TYR 19 CO 0.00 0.84 -0.59 -0.07 -1.32 0.00 0.00 178.16 177.02 1mx7 h LEU 20 N 0.66 0.90 -0.89 2.82 3.38 -1.52 -3.13 115.31 117.54 1mx7 h LEU 20 Ca 0.11 -0.51 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 1mx7 h LEU 20 Cb 0.63 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1mx7 h LEU 20 CO 0.04 1.29 -0.48 -0.09 0.09 0.00 0.00 178.44 179.29 1mx7 h ARG 21 N 0.60 0.00 -0.52 1.13 2.43 -1.49 -1.76 114.38 114.78 1mx7 h ARG 21 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1mx7 h ARG 21 Cb 1.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1mx7 h ARG 21 CO 0.13 0.48 0.14 0.00 -1.51 0.00 0.00 179.97 179.21 1mx7 h ALA 22 N 1.52 0.68 0.00 2.80 0.00 -1.27 -3.24 119.26 119.74 1mx7 h ALA 22 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1mx7 h ALA 22 Cb 0.96 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1mx7 h ALA 22 CO 0.06 0.36 -1.37 1.28 0.00 0.00 0.00 179.25 179.58 1mx7 n LEU 23 N -4.46 0.71 -2.56 0.00 4.32 -1.22 -4.80 117.00 108.98 1mx7 n LEU 23 Ca 0.02 0.29 -0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1mx7 n LEU 23 Cb 0.21 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1mx7 n LEU 23 CO 0.40 0.01 0.23 -0.67 -1.22 0.00 0.00 177.39 176.14 1mx7 n ASP 24 N -2.72 -5.99 -0.11 -1.43 -0.08 -0.66 -4.99 116.55 100.57 1mx7 n ASP 24 Ca -0.06 -0.03 -0.22 0.00 -1.51 0.00 0.00 54.79 52.97 1mx7 n ASP 24 Cb 0.71 -3.97 -0.10 0.00 2.34 0.00 0.00 41.12 40.10 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1mx7 n VAL 25 N -1.46 1.52 0.00 5.18 3.14 -1.24 -4.88 118.33 120.59 1mx7 n VAL 25 Ca 0.00 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 1mx7 n VAL 25 Cb 0.49 -2.04 0.00 0.00 -1.06 0.00 0.00 33.84 31.23 1mx7 n VAL 25 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1mx7 n ASN 26 N -4.40 0.00 0.03 6.55 2.85 -1.26 -4.97 115.26 114.06 1mx7 n ASN 26 Ca -0.36 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 53.96 1mx7 n ASN 26 Cb 0.70 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.67 1mx7 n ASN 26 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1mx7 h VAL 27 N 0.43 1.33 0.01 3.44 3.04 -1.97 -3.28 116.25 119.24 1mx7 h VAL 27 Ca 0.00 -2.18 -0.19 0.00 -1.01 0.00 0.00 66.70 63.32 1mx7 h VAL 27 Cb 0.00 2.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 1mx7 h VAL 27 CO 0.00 0.67 -0.87 0.00 -1.01 0.00 0.00 177.57 176.36 1mx7 h ALA 28 N 0.66 0.55 0.00 3.17 0.00 -2.02 -3.28 119.26 118.34 1mx7 h ALA 28 Ca -0.07 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 54.02 1mx7 h ALA 28 Cb 1.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1mx7 h ALA 28 CO 0.16 0.96 -0.40 1.25 0.00 0.00 0.00 179.25 181.23 1mx7 h LEU 29 N 0.07 0.00 -1.22 0.00 5.85 -1.97 -2.99 115.31 115.05 1mx7 h LEU 29 Ca -0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1mx7 h LEU 29 Cb 1.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1mx7 h LEU 29 CO 0.13 0.40 -0.36 -0.09 -0.34 0.00 0.00 178.44 178.17 1mx7 h ARG 30 N 0.00 0.05 0.14 1.25 2.43 -1.62 -0.14 114.38 116.49 1mx7 h ARG 30 Ca -0.00 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 1mx7 h ARG 30 Cb 0.72 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1mx7 h ARG 30 CO 0.05 0.41 -1.25 -0.22 -1.51 0.00 0.00 179.97 177.44 1mx7 h LYS 31 N 0.05 0.48 0.02 0.20 3.64 -1.67 -3.25 116.57 116.02 1mx7 h LYS 31 Ca 0.00 -0.70 -0.05 0.00 -1.27 0.00 0.00 60.65 58.64 1mx7 h LYS 31 Cb 0.66 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1mx7 h LYS 31 CO 0.05 1.31 -0.19 0.82 -2.27 0.00 0.00 179.45 179.16 1mx7 h ILE 32 N 0.18 1.63 -0.65 2.00 2.04 -1.43 -3.34 117.51 117.94 1mx7 h ILE 32 Ca -0.17 -2.10 0.11 0.00 1.00 0.00 0.00 64.86 63.70 1mx7 h ILE 32 Cb 1.94 3.01 -0.04 0.00 -0.74 0.00 0.00 36.82 40.99 1mx7 h ILE 32 CO 0.23 0.56 0.44 0.00 0.00 0.00 0.00 178.15 179.38 1mx7 h ALA 33 N 0.16 2.03 0.00 1.87 0.00 -1.18 -1.79 119.26 120.35 1mx7 h ALA 33 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1mx7 h ALA 33 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1mx7 h ALA 33 CO 0.04 -0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.19 1mx7 n ASN 34 N -4.47 0.00 -1.24 0.00 5.03 -1.23 -2.19 115.26 111.16 1mx7 n ASN 34 Ca 0.11 0.46 0.09 0.00 0.87 0.00 0.00 54.58 56.11 1mx7 n ASN 34 Cb 0.41 -0.48 0.29 0.00 -1.02 0.00 0.00 39.78 38.99 1mx7 n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1mx7 n LEU 35 N -1.48 4.15 -4.19 3.41 4.77 -0.67 -4.96 117.00 118.03 1mx7 n LEU 35 Ca 0.04 -2.41 -0.21 0.00 -0.03 0.00 0.00 56.01 53.40 1mx7 n LEU 35 Cb 0.16 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.63 1mx7 n LEU 35 CO 0.13 0.79 -0.48 -0.76 -1.33 0.00 0.00 177.39 175.73 1mx7 s LEU 36 N -1.75 2.23 -0.53 2.23 2.01 -0.93 -5.09 118.68 116.85 1mx7 s LEU 36 Ca 0.43 -0.55 0.06 0.00 0.01 0.00 0.00 54.13 54.08 1mx7 s LEU 36 Cb 0.28 -0.66 0.22 0.00 0.01 0.00 0.00 46.19 46.04 1mx7 s LEU 36 CO 0.21 0.01 0.56 0.29 1.01 0.00 0.00 176.35 178.44 1mx7 n LYS 37 N 1.55 1.43 -1.65 1.70 5.02 -1.26 -5.00 118.16 119.95 1mx7 n LYS 37 Ca -0.19 -3.92 -0.48 0.00 -2.02 0.00 0.00 58.31 51.69 1mx7 n LYS 37 Cb 0.54 -1.82 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1mx7 n LYS 37 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1mx7 n PRO 38 N 1.55 1.82 -4.27 1.97 -0.04 -1.26 -4.77 135.00 129.99 1mx7 n PRO 38 Ca 0.25 0.66 -0.34 0.00 -0.04 0.00 0.00 63.50 64.03 1mx7 n PRO 38 Cb 0.45 -2.39 -0.09 0.00 -0.04 0.00 0.00 33.50 31.43 1mx7 n PRO 38 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx7 s ASP 39 N 1.23 5.33 0.52 3.54 1.11 -1.26 -4.29 116.67 122.86 1mx7 s ASP 39 Ca 0.83 0.11 0.05 0.00 0.18 0.00 0.00 52.55 53.71 1mx7 s ASP 39 Cb -0.78 -1.48 0.02 0.00 1.07 0.00 0.00 42.92 41.75 1mx7 s ASP 39 CO 0.43 0.33 0.29 -0.75 1.18 0.00 0.00 175.17 176.65 1mx7 s LYS 40 N -1.27 2.24 -0.28 8.23 2.20 0.42 -2.51 119.74 128.78 1mx7 s LYS 40 Ca 0.17 -2.10 -0.10 0.00 -0.36 0.00 0.00 55.97 53.59 1mx7 s LYS 40 Cb -0.12 -1.95 0.12 0.00 -1.51 0.00 0.00 37.83 34.37 1mx7 s LYS 40 CO 0.07 -0.51 0.60 -2.00 -0.36 0.00 0.00 175.35 173.15 1mx7 s GLU 41 N -4.15 0.53 0.12 4.03 2.12 -0.93 0.17 118.70 120.59 1mx7 s GLU 41 Ca 0.28 1.35 0.03 0.00 0.36 0.00 0.00 54.97 56.98 1mx7 s GLU 41 Cb -0.01 0.71 -0.04 0.00 0.26 0.00 0.00 34.13 35.06 1mx7 s GLU 41 CO 0.17 -0.21 0.17 0.42 -0.54 0.00 0.00 175.26 175.27 1mx7 s ILE 42 N 2.75 4.88 -0.30 -3.70 -1.09 0.39 -2.19 121.20 121.94 1mx7 s ILE 42 Ca -0.05 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.64 1mx7 s ILE 42 Cb -0.12 -3.44 0.17 0.00 -1.58 0.00 0.00 42.46 37.50 1mx7 s ILE 42 CO -0.18 0.01 0.46 -0.69 -1.23 0.00 0.00 174.94 173.32 1mx7 s VAL 43 N -1.60 -0.73 -0.30 2.92 1.01 -0.81 -3.36 120.40 117.54 1mx7 s VAL 43 Ca 0.32 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 1mx7 s VAL 43 Cb -0.11 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1mx7 s VAL 43 CO 0.25 -0.22 0.26 -1.58 0.00 0.00 0.00 175.10 173.82 1mx7 s GLN 44 N 2.49 3.84 -0.14 2.72 0.74 -1.26 -1.19 119.66 126.86 1mx7 s GLN 44 Ca 0.11 -0.30 0.10 0.00 0.05 0.00 0.00 55.36 55.32 1mx7 s GLN 44 Cb -0.11 -3.70 0.55 0.00 1.10 0.00 0.00 33.01 30.84 1mx7 s GLN 44 CO -0.26 -0.29 1.36 -3.47 -0.55 0.00 0.00 175.29 172.07 1mx7 n ASP 45 N 5.18 4.06 0.00 6.67 2.03 0.20 -4.98 116.55 129.71 1mx7 n ASP 45 Ca -0.12 -2.56 0.00 0.00 0.52 0.00 0.00 54.79 52.63 1mx7 n ASP 45 Cb 0.51 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 1mx7 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mx7 n GLY 46 N 0.54 1.37 0.08 0.27 0.00 -1.26 -4.48 105.19 101.70 1mx7 n GLY 46 Ca 0.19 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 1mx7 n GLY 46 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1mx7 h ASP 47 N 0.00 0.00 -3.65 1.61 3.04 -1.93 -3.44 116.42 112.04 1mx7 h ASP 47 Ca 0.00 0.00 -0.62 0.00 -3.24 0.00 0.00 57.03 53.17 1mx7 h ASP 47 Cb 0.00 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 38.15 1mx7 h ASP 47 CO 0.00 0.90 -0.25 -1.00 -2.04 0.00 0.00 179.24 176.85 1mx7 s HIS 48 N -2.71 3.28 -0.17 4.15 3.76 -1.26 -0.97 115.29 121.38 1mx7 s HIS 48 Ca -0.02 0.44 -0.01 0.00 -0.15 0.00 0.00 55.06 55.32 1mx7 s HIS 48 Cb 0.09 -2.53 -0.00 0.00 1.11 0.00 0.00 32.58 31.24 1mx7 s HIS 48 CO 0.82 -0.15 -0.11 1.41 -0.85 0.00 0.00 174.74 175.85 1mx7 s MET 49 N 1.78 3.29 -0.22 1.40 1.75 0.31 -0.63 119.30 126.99 1mx7 s MET 49 Ca 0.15 -0.70 -0.05 0.00 -1.25 0.00 0.00 55.69 53.84 1mx7 s MET 49 Cb -0.15 -2.75 -0.02 0.00 2.84 0.00 0.00 34.83 34.74 1mx7 s MET 49 CO 0.09 -0.03 0.01 0.42 -0.65 0.00 0.00 175.02 174.86 1mx7 s ILE 50 N 0.97 3.89 -0.11 10.11 -1.09 -0.33 0.77 121.20 135.41 1mx7 s ILE 50 Ca -0.02 -0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.05 1mx7 s ILE 50 Cb -0.15 -2.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 1mx7 s ILE 50 CO -0.01 0.40 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.45 1mx7 s ILE 51 N 1.31 4.13 -0.07 2.92 -1.09 -1.26 -1.92 121.20 125.21 1mx7 s ILE 51 Ca 0.04 -0.30 -0.00 0.00 -2.23 0.00 0.00 60.65 58.16 1mx7 s ILE 51 Cb -0.15 -2.76 0.03 0.00 -1.58 0.00 0.00 42.46 38.00 1mx7 s ILE 51 CO 0.01 0.56 -0.03 -0.13 -1.23 0.00 0.00 174.94 174.12 1mx7 s ARG 52 N -0.37 0.90 -0.19 2.79 0.52 -0.93 -2.54 118.95 119.12 1mx7 s ARG 52 Ca 0.07 -0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.12 1mx7 s ARG 52 Cb -0.12 -1.09 -0.05 0.00 0.52 0.00 0.00 34.95 34.21 1mx7 s ARG 52 CO 0.02 -0.23 0.20 0.99 0.02 0.00 0.00 175.30 176.30 1mx7 s THR 53 N 1.62 5.36 -0.55 0.02 2.01 -1.22 -2.19 115.64 120.70 1mx7 s THR 53 Ca 0.01 0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.38 1mx7 s THR 53 Cb -0.13 -3.54 0.38 0.00 0.01 0.00 0.00 72.50 69.22 1mx7 s THR 53 CO -0.04 0.41 1.15 0.18 -0.69 0.00 0.00 174.62 175.62 1mx7 n LEU 54 N 3.65 4.95 0.00 4.42 4.77 -1.04 -4.19 117.00 129.55 1mx7 n LEU 54 Ca -0.14 -5.38 -0.08 0.00 -0.03 0.00 0.00 56.01 50.38 1mx7 n LEU 54 Cb 0.52 -0.57 0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1mx7 n LEU 54 CO 0.38 2.24 0.20 -1.54 -1.33 0.00 0.00 177.39 177.34 1mx7 n SER 55 N -0.38 -0.83 0.00 -1.43 3.41 -1.26 -4.58 113.62 108.56 1mx7 n SER 55 Ca 0.37 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1mx7 n SER 55 Cb 0.51 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1mx7 n SER 55 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1mx7 n THR 56 N -2.93 0.00 0.00 6.66 -2.24 -1.26 -4.72 114.28 109.79 1mx7 n THR 56 Ca 0.04 -0.32 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 1mx7 n THR 56 Cb 0.16 0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 69.08 1mx7 n THR 56 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1mx7 h PHE 57 N 0.00 0.34 -2.15 4.78 3.57 -2.00 -3.47 116.94 118.01 1mx7 h PHE 57 Ca 0.00 -0.25 -0.06 0.00 3.53 0.00 0.00 57.97 61.19 1mx7 h PHE 57 Cb 0.00 -0.01 -0.21 0.00 2.79 0.00 0.00 35.95 38.52 1mx7 h PHE 57 CO 0.00 1.25 0.08 -0.98 -2.23 0.00 0.00 178.31 176.43 1mx7 s ARG 58 N -2.37 0.84 0.15 1.11 1.70 -1.26 -5.16 118.95 113.97 1mx7 s ARG 58 Ca -0.17 0.68 -0.19 0.00 -0.47 0.00 0.00 55.73 55.59 1mx7 s ARG 58 Cb 0.00 0.41 -0.07 0.00 -0.57 0.00 0.00 34.95 34.72 1mx7 s ARG 58 CO 0.77 -0.16 0.64 0.54 -1.08 0.00 0.00 175.30 176.01 1mx7 s ASN 59 N -0.15 7.03 -0.18 -2.89 2.20 -1.26 -4.52 114.94 115.17 1mx7 s ASN 59 Ca -0.04 1.30 -0.06 0.00 -0.94 0.00 0.00 52.86 53.13 1mx7 s ASN 59 Cb -0.03 -2.37 0.09 0.00 -2.00 0.00 0.00 41.25 36.93 1mx7 s ASN 59 CO 0.04 0.14 0.35 -0.47 -2.94 0.00 0.00 177.10 174.22 1mx7 s TYR 60 N -1.35 -0.65 0.29 1.54 5.04 -1.26 -5.12 117.35 115.85 1mx7 s TYR 60 Ca 0.37 1.20 0.03 0.00 -2.44 0.00 0.00 57.07 56.22 1mx7 s TYR 60 Cb -0.18 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.28 1mx7 s TYR 60 CO 0.20 -0.47 0.22 -0.89 -1.34 0.00 0.00 175.55 173.28 1mx7 n ILE 61 N 5.37 0.00 -4.20 3.14 2.08 -1.26 -3.43 119.36 121.07 1mx7 n ILE 61 Ca -0.07 -1.15 -0.17 0.00 0.56 0.00 0.00 62.75 61.92 1mx7 n ILE 61 Cb 0.50 -0.27 -0.06 0.00 -0.75 0.00 0.00 39.64 39.05 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 -1.20 0.51 -2.79 0.38 2.81 -1.05 -5.01 117.12 110.77 1mx7 n MET 62 Ca -0.01 -3.10 -0.03 0.00 -1.81 0.00 0.00 57.70 52.75 1mx7 n MET 62 Cb 0.33 2.69 0.01 0.00 -0.71 0.00 0.00 33.22 35.54 1mx7 n MET 62 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1mx7 s ASP 63 N -3.24 -1.30 0.57 7.83 -1.08 -1.26 -4.37 116.67 113.81 1mx7 s ASP 63 Ca 0.35 -1.48 -0.04 0.00 -0.52 0.00 0.00 52.55 50.87 1mx7 s ASP 63 Cb 0.01 1.70 0.02 0.00 -1.46 0.00 0.00 42.92 43.19 1mx7 s ASP 63 CO 0.25 -0.05 0.85 -0.36 0.52 0.00 0.00 175.17 176.38 1mx7 s PHE 64 N 0.97 3.14 -0.08 -5.34 0.40 0.23 -4.93 117.98 112.37 1mx7 s PHE 64 Ca 0.28 0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 57.01 1mx7 s PHE 64 Cb 0.01 -2.71 0.04 0.00 0.51 0.00 0.00 43.02 40.88 1mx7 s PHE 64 CO -0.06 -0.81 0.18 -0.65 0.70 0.00 0.00 175.22 174.58 1mx7 s GLN 65 N -4.90 0.10 -0.04 0.44 -0.21 -1.26 -0.53 119.66 113.26 1mx7 s GLN 65 Ca 0.54 0.49 -0.20 0.00 0.02 0.00 0.00 55.36 56.21 1mx7 s GLN 65 Cb -0.10 -0.19 -0.05 0.00 1.00 0.00 0.00 33.01 33.67 1mx7 s GLN 65 CO 0.42 -0.22 0.55 0.54 -2.12 0.00 0.00 175.29 174.47 1mx7 s VAL 66 N 1.65 5.00 0.00 1.09 0.11 -0.14 -3.92 120.40 124.20 1mx7 s VAL 66 Ca -0.04 1.15 0.00 0.00 -2.93 0.00 0.00 61.98 60.15 1mx7 s VAL 66 Cb -0.12 -3.89 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1mx7 s VAL 66 CO -0.07 0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.71 1mx7 n GLY 67 N 2.65 1.78 1.25 6.54 0.00 -1.08 -4.91 105.19 111.42 1mx7 n GLY 67 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1mx7 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mx7 n LYS 68 N -2.00 1.20 -4.49 1.61 5.02 -1.25 -5.03 118.16 113.21 1mx7 n LYS 68 Ca 0.00 -1.12 -0.20 0.00 -2.02 0.00 0.00 58.31 54.96 1mx7 n LYS 68 Cb 0.00 0.11 -0.15 0.00 -0.02 0.00 0.00 35.03 34.97 1mx7 n LYS 68 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1mx7 s GLU 69 N -2.75 0.92 -0.20 1.97 2.12 -1.26 -3.65 118.70 115.84 1mx7 s GLU 69 Ca 0.11 -0.40 -0.15 0.00 0.36 0.00 0.00 54.97 54.88 1mx7 s GLU 69 Cb -0.01 -0.89 0.06 0.00 0.26 0.00 0.00 34.13 33.55 1mx7 s GLU 69 CO 0.07 0.24 0.52 -0.59 -0.54 0.00 0.00 175.26 174.96 1mx7 s PHE 70 N -0.26 -0.66 0.46 5.30 -0.71 -1.10 -5.04 117.98 115.97 1mx7 s PHE 70 Ca 0.04 1.49 -0.11 0.00 -1.04 0.00 0.00 56.93 57.31 1mx7 s PHE 70 Cb -0.04 0.29 -0.06 0.00 -1.21 0.00 0.00 43.02 41.99 1mx7 s PHE 70 CO -0.00 -0.34 0.85 -2.00 -1.34 0.00 0.00 175.22 172.39 1mx7 s GLU 71 N 0.84 3.77 -0.26 1.99 2.12 -1.26 -3.09 118.70 122.81 1mx7 s GLU 71 Ca -0.05 0.59 -0.06 0.00 0.36 0.00 0.00 54.97 55.81 1mx7 s GLU 71 Cb -0.05 -2.29 0.13 0.00 0.26 0.00 0.00 34.13 32.17 1mx7 s GLU 71 CO -0.07 -0.17 0.53 -2.00 -0.54 0.00 0.00 175.26 173.01 1mx7 s GLU 72 N -4.15 0.46 -0.94 4.30 2.56 -1.24 -4.97 118.70 114.72 1mx7 s GLU 72 Ca 0.53 1.11 -0.22 0.00 0.00 0.00 0.00 54.97 56.39 1mx7 s GLU 72 Cb -0.10 0.45 0.07 0.00 2.00 0.00 0.00 34.13 36.55 1mx7 s GLU 72 CO 0.35 -0.36 1.31 -0.51 -0.56 0.00 0.00 175.26 175.49 1mx7 s ASP 73 N 2.75 6.48 0.00 -1.70 1.01 -1.26 -3.84 116.67 120.11 1mx7 s ASP 73 Ca 0.03 -1.49 0.02 0.00 0.71 0.00 0.00 52.55 51.82 1mx7 s ASP 73 Cb -0.13 -2.51 0.14 0.00 1.01 0.00 0.00 42.92 41.43 1mx7 s ASP 73 CO -0.17 -1.41 0.49 0.18 0.21 0.00 0.00 175.17 174.47 1mx7 n LEU 74 N 8.18 0.00 -4.29 1.23 4.77 -1.11 -4.86 117.00 120.93 1mx7 n LEU 74 Ca 0.25 0.00 -0.58 0.00 -0.03 0.00 0.00 56.01 55.65 1mx7 n LEU 74 Cb 0.50 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 1mx7 n LEU 74 CO 0.62 0.00 1.76 0.35 -1.33 0.00 0.00 177.39 178.79 1mx7 n THR 75 N -0.83 0.03 0.00 -5.08 -2.24 -1.26 -0.87 114.28 104.03 1mx7 n THR 75 Ca 0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1mx7 n THR 75 Cb 0.01 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 7.30 1.30 0.00 3.38 0.00 -1.26 -4.90 105.19 111.01 1mx7 n GLY 76 Ca 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 0.00 0.00 -0.61 2.08 -0.05 -4.96 119.36 115.81 1mx7 n ILE 77 Ca 0.00 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1mx7 n ILE 77 Cb 0.00 0.50 0.00 0.00 -0.75 0.00 0.00 39.64 39.39 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1mx7 n ASP 78 N -0.79 0.00 0.00 4.38 2.03 -1.11 -4.88 116.55 116.17 1mx7 n ASP 78 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1mx7 n ASP 78 Cb 0.00 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 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 -1.55 0.00 -4.97 1.67 5.75 -1.25 -4.48 116.55 111.72 1mx7 n ASP 79 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.57 1mx7 n ASP 79 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 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 -0.46 2.89 0.35 0.11 3.52 -1.26 -4.48 118.95 119.62 1mx7 s ARG 80 Ca 0.00 -0.71 0.06 0.00 -0.13 0.00 0.00 55.73 54.95 1mx7 s ARG 80 Cb 0.00 -2.59 -0.07 0.00 -1.56 0.00 0.00 34.95 30.73 1mx7 s ARG 80 CO 0.00 -0.36 0.00 -1.59 -0.81 0.00 0.00 175.30 172.54 1mx7 s LYS 81 N -4.55 1.76 0.03 5.12 -2.85 -1.26 -2.73 119.74 115.26 1mx7 s LYS 81 Ca 0.51 -1.97 -0.01 0.00 -1.00 0.00 0.00 55.97 53.51 1mx7 s LYS 81 Cb -0.10 -1.29 0.00 0.00 -2.06 0.00 0.00 37.83 34.38 1mx7 s LYS 81 CO 0.37 -0.06 0.05 0.00 0.10 0.00 0.00 175.35 175.80 1mx7 n MET 83 N -0.05 3.44 -1.44 0.00 2.81 -1.26 -3.62 117.12 117.00 1mx7 n MET 83 Ca -0.00 -4.49 -0.47 0.00 -1.81 0.00 0.00 57.70 50.93 1mx7 n MET 83 Cb 0.05 -2.25 -0.11 0.00 -0.71 0.00 0.00 33.22 30.20 1mx7 n MET 83 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1mx7 n THR 84 N -0.49 0.02 -3.96 2.03 -1.04 -1.18 -4.69 114.28 104.97 1mx7 n THR 84 Ca 0.39 -0.16 -0.35 0.00 -2.04 0.00 0.00 64.05 61.89 1mx7 n THR 84 Cb 0.68 -1.05 -0.08 0.00 -1.82 0.00 0.00 70.33 68.06 1mx7 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1mx7 s THR 85 N 8.45 5.05 -0.28 12.58 2.01 -1.15 -2.73 115.64 139.57 1mx7 s THR 85 Ca 1.22 0.05 0.01 0.00 0.31 0.00 0.00 61.69 63.28 1mx7 s THR 85 Cb -1.08 -3.24 0.06 0.00 0.01 0.00 0.00 72.50 68.24 1mx7 s THR 85 CO 0.50 0.52 -0.06 0.54 -0.69 0.00 0.00 174.62 175.43 1mx7 s VAL 86 N -0.18 2.55 0.36 3.82 0.11 -1.24 -2.66 120.40 123.16 1mx7 s VAL 86 Ca 0.09 -1.53 0.07 0.00 -2.93 0.00 0.00 61.98 57.68 1mx7 s VAL 86 Cb -0.12 -2.49 -0.02 0.00 -1.53 0.00 0.00 36.38 32.23 1mx7 s VAL 86 CO 0.01 -0.07 0.38 -0.44 -3.33 0.00 0.00 175.10 171.65 1mx7 s SER 87 N 1.17 5.47 -0.46 3.54 0.01 -0.42 -2.64 113.70 120.38 1mx7 s SER 87 Ca -0.07 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 56.82 1mx7 s SER 87 Cb -0.20 -0.94 0.39 0.00 0.21 0.00 0.00 66.02 65.48 1mx7 s SER 87 CO -0.03 -0.46 0.97 -2.67 0.41 0.00 0.00 173.24 171.45 1mx7 n TRP 88 N -1.52 2.73 -1.92 2.43 4.27 -1.26 -2.03 117.44 120.14 1mx7 n TRP 88 Ca 0.01 -3.48 -0.43 0.00 -3.89 0.00 0.00 57.50 49.71 1mx7 n TRP 88 Cb 0.60 -0.33 -0.03 0.00 -1.36 0.00 0.00 31.31 30.19 1mx7 n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1mx7 s ASP 89 N -3.26 5.75 0.00 -0.67 1.01 -1.26 -4.55 116.67 113.69 1mx7 s ASP 89 Ca 0.44 1.37 0.00 0.00 0.71 0.00 0.00 52.55 55.07 1mx7 s ASP 89 Cb 0.36 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.77 1mx7 s ASP 89 CO -0.12 -1.81 0.00 0.61 0.21 0.00 0.00 175.17 174.06 1mx7 n GLY 90 N 5.51 -0.89 2.41 0.21 0.00 -1.26 -3.94 105.19 107.23 1mx7 n GLY 90 Ca 0.24 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1mx7 n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mx7 n ASP 91 N 0.51 7.19 -1.16 1.61 9.92 -1.26 -4.92 116.55 128.44 1mx7 n ASP 91 Ca 0.00 -3.79 0.00 0.00 -0.53 0.00 0.00 54.79 50.47 1mx7 n ASP 91 Cb 0.00 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1mx7 n ASP 91 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1mx7 n LYS 92 N -0.80 2.45 -3.53 -1.24 5.02 -1.25 -4.53 118.16 114.28 1mx7 n LYS 92 Ca 0.58 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.61 1mx7 n LYS 92 Cb 0.61 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.48 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 0.35 -0.22 -0.35 0.20 -0.88 -4.56 118.68 113.22 1mx7 s LEU 93 Ca 0.00 -1.02 -0.03 0.00 0.69 0.00 0.00 54.13 53.78 1mx7 s LEU 93 Cb 0.00 -0.16 0.00 0.00 -0.43 0.00 0.00 46.19 45.60 1mx7 s LEU 93 CO 0.00 -0.41 -0.07 -1.10 -0.29 0.00 0.00 176.35 174.48 1mx7 s GLN 94 N 2.16 3.21 0.07 1.98 -0.21 -0.86 -1.94 119.66 124.06 1mx7 s GLN 94 Ca 0.08 -0.73 0.07 0.00 0.02 0.00 0.00 55.36 54.79 1mx7 s GLN 94 Cb -0.16 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.88 1mx7 s GLN 94 CO -0.29 -0.24 -0.18 0.00 -2.12 0.00 0.00 175.29 172.45 1mx7 s VAL 96 N -1.08 1.38 -0.82 0.00 1.01 -1.09 -3.22 120.40 116.59 1mx7 s VAL 96 Ca 0.03 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1mx7 s VAL 96 Cb -0.09 -1.27 0.34 0.00 0.00 0.00 0.00 36.38 35.35 1mx7 s VAL 96 CO 0.03 0.42 1.52 0.00 0.00 0.00 0.00 175.10 177.07 1mx7 n GLN 97 N 4.20 4.27 0.00 2.72 6.02 -0.99 -2.94 117.38 130.66 1mx7 n GLN 97 Ca -0.19 -4.58 0.00 0.00 -0.01 0.00 0.00 57.00 52.22 1mx7 n GLN 97 Cb 0.51 -2.36 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1mx7 n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1mx7 n LYS 98 N -0.21 0.00 -4.01 -1.09 4.76 -1.26 -4.73 118.16 111.62 1mx7 n LYS 98 Ca 0.42 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.54 1mx7 n LYS 98 Cb 0.33 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.48 1mx7 n LYS 98 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mx7 n GLY 99 N 0.00 -0.44 7.00 0.72 0.00 -1.26 -4.48 105.19 106.73 1mx7 n GLY 99 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1mx7 n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mx7 n GLU 100 N -3.92 0.00 -1.32 1.61 4.07 -1.26 -5.01 120.64 114.81 1mx7 n GLU 100 Ca 0.07 0.00 0.17 0.00 -0.06 0.00 0.00 57.16 57.34 1mx7 n GLU 100 Cb 0.48 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.81 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1mx7 n LYS 101 N 11.87 -2.69 0.04 5.31 4.76 -1.26 -4.70 118.16 131.48 1mx7 n LYS 101 Ca 0.00 1.92 -0.21 0.00 -2.87 0.00 0.00 58.31 57.15 1mx7 n LYS 101 Cb 0.00 -3.28 -0.14 0.00 -1.84 0.00 0.00 35.03 29.77 1mx7 n LYS 101 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1mx7 h GLU 102 N -1.29 0.28 0.00 1.97 4.39 -1.93 -3.47 114.58 114.53 1mx7 h GLU 102 Ca -0.04 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1mx7 h GLU 102 Cb 1.32 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1mx7 h GLU 102 CO 0.03 1.23 0.00 0.41 -1.16 0.00 0.00 179.01 179.52 1mx7 n GLY 103 N 1.69 0.73 2.51 -3.84 0.00 -1.26 -4.90 105.19 100.12 1mx7 n GLY 103 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.15 0.00 1.61 1.74 -0.64 -4.79 116.66 111.43 1mx7 n ARG 104 Ca 0.00 2.56 0.00 0.00 -0.77 0.00 0.00 57.85 59.64 1mx7 n ARG 104 Cb 0.00 -4.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.77 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 0.75 2.53 3.72 -0.13 0.00 -1.11 -2.35 105.19 108.60 1mx7 n GLY 105 Ca -0.07 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1mx7 n GLY 105 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mx7 s TRP 106 N -2.00 2.60 -0.18 1.61 0.52 -1.20 -2.26 118.94 118.03 1mx7 s TRP 106 Ca 0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 56.10 55.50 1mx7 s TRP 106 Cb 0.00 -1.89 0.09 0.00 -1.15 0.00 0.00 33.47 30.51 1mx7 s TRP 106 CO 0.00 0.24 0.34 0.99 0.02 0.00 0.00 176.95 178.54 1mx7 s THR 107 N -2.59 -0.54 -0.25 2.01 2.01 -0.26 -3.52 115.64 112.50 1mx7 s THR 107 Ca 0.40 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.54 1mx7 s THR 107 Cb 0.04 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.96 1mx7 s THR 107 CO 0.22 0.05 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.08 1mx7 s GLN 108 N 2.52 3.10 -0.00 4.92 -0.21 -0.82 -1.99 119.66 127.18 1mx7 s GLN 108 Ca 0.02 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 54.60 1mx7 s GLN 108 Cb -0.13 -3.07 -0.00 0.00 1.00 0.00 0.00 33.01 30.81 1mx7 s GLN 108 CO -0.11 -0.33 -0.04 1.67 -2.12 0.00 0.00 175.29 174.36 1mx7 s TRP 109 N 1.42 0.35 0.31 0.91 -2.14 -1.24 -2.07 118.94 116.48 1mx7 s TRP 109 Ca 0.03 -0.09 0.02 0.00 2.66 0.00 0.00 56.10 58.72 1mx7 s TRP 109 Cb -0.16 -0.23 -0.03 0.00 -3.10 0.00 0.00 33.47 29.95 1mx7 s TRP 109 CO -0.03 -0.01 0.48 0.42 -2.66 0.00 0.00 176.95 175.16 1mx7 s ILE 110 N -0.17 5.16 -0.30 0.66 1.01 -1.26 -2.65 121.20 123.65 1mx7 s ILE 110 Ca 0.01 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 1mx7 s ILE 110 Cb -0.02 -3.86 0.17 0.00 0.01 0.00 0.00 42.46 38.77 1mx7 s ILE 110 CO -0.00 -0.47 0.85 -0.70 0.00 0.00 0.00 174.94 174.62 1mx7 s GLU 111 N -4.17 0.37 -1.51 2.79 -6.30 -1.24 -4.93 118.70 103.71 1mx7 s GLU 111 Ca 0.38 0.76 -0.13 0.00 -2.50 0.00 0.00 54.97 53.48 1mx7 s GLU 111 Cb -0.09 0.43 0.08 0.00 0.00 0.00 0.00 34.13 34.55 1mx7 s GLU 111 CO 0.34 -0.31 0.97 0.41 0.02 0.00 0.00 175.26 176.69 1mx7 n GLY 112 N 5.34 -0.48 2.86 -1.50 0.00 -1.26 0.55 105.19 110.70 1mx7 n GLY 112 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.86 -5.08 -4.32 1.61 9.92 -1.26 -4.92 116.55 109.64 1mx7 n ASP 113 Ca 0.02 0.00 -0.47 0.00 -0.53 0.00 0.00 54.79 53.81 1mx7 n ASP 113 Cb 0.54 -2.85 -0.02 0.00 -0.64 0.00 0.00 41.12 38.15 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1mx7 s GLU 114 N -1.55 3.55 -0.04 -1.24 2.02 0.19 -3.07 118.70 118.55 1mx7 s GLU 114 Ca 0.00 -2.43 -0.32 0.00 0.02 0.00 0.00 54.97 52.25 1mx7 s GLU 114 Cb 0.00 -4.41 -0.10 0.00 0.10 0.00 0.00 34.13 29.72 1mx7 s GLU 114 CO 0.00 -1.29 1.97 -0.11 0.02 0.00 0.00 175.26 175.85 1mx7 n LEU 115 N 4.03 3.77 -4.15 1.80 7.94 -1.26 -3.58 117.00 125.55 1mx7 n LEU 115 Ca 0.12 0.86 -0.36 0.00 -1.11 0.00 0.00 56.01 55.52 1mx7 n LEU 115 Cb 0.46 -1.46 -0.12 0.00 0.53 0.00 0.00 43.42 42.83 1mx7 n LEU 115 CO 0.34 0.01 -0.21 -1.00 -1.11 0.00 0.00 177.39 175.42 1mx7 s HIS 116 N 4.72 3.48 0.07 1.96 3.76 -1.08 -1.58 115.29 126.61 1mx7 s HIS 116 Ca 0.92 -2.17 -0.11 0.00 -0.15 0.00 0.00 55.06 53.54 1mx7 s HIS 116 Cb -0.54 -2.90 -0.06 0.00 1.11 0.00 0.00 32.58 30.20 1mx7 s HIS 116 CO 0.46 -0.91 0.42 -1.17 -0.85 0.00 0.00 174.74 172.68 1mx7 s LEU 117 N 1.20 4.38 -0.09 0.89 2.96 -0.85 -3.69 118.68 123.47 1mx7 s LEU 117 Ca 0.04 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.82 1mx7 s LEU 117 Cb -0.22 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.57 1mx7 s LEU 117 CO -0.03 0.20 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.43 1mx7 s GLU 118 N -1.72 1.42 0.17 1.98 2.12 -0.84 -2.28 118.70 119.55 1mx7 s GLU 118 Ca 0.31 -0.25 0.10 0.00 0.36 0.00 0.00 54.97 55.49 1mx7 s GLU 118 Cb -0.15 -1.41 -0.04 0.00 0.26 0.00 0.00 34.13 32.79 1mx7 s GLU 118 CO 0.17 -0.18 -0.16 -1.64 -0.54 0.00 0.00 175.26 172.91 1mx7 s MET 119 N 1.38 1.82 -0.10 4.30 -1.94 -0.41 -1.10 119.30 123.25 1mx7 s MET 119 Ca -0.02 -1.34 -0.10 0.00 -1.71 0.00 0.00 55.69 52.53 1mx7 s MET 119 Cb -0.14 -2.05 0.03 0.00 2.01 0.00 0.00 34.83 34.69 1mx7 s MET 119 CO -0.04 0.43 0.27 1.03 -0.01 0.00 0.00 175.02 176.71 1mx7 s ARG 120 N -2.64 0.32 -0.23 2.03 1.81 -0.96 -1.54 118.95 117.74 1mx7 s ARG 120 Ca 0.22 0.38 -0.06 0.00 -1.72 0.00 0.00 55.73 54.55 1mx7 s ARG 120 Cb -0.09 0.16 0.11 0.00 -0.45 0.00 0.00 34.95 34.68 1mx7 s ARG 120 CO 0.12 -0.04 0.46 0.00 -0.68 0.00 0.00 175.30 175.17 1mx7 s ALA 121 N 0.15 -1.39 -1.46 2.13 0.00 0.15 -1.61 121.76 119.73 1mx7 s ALA 121 Ca -0.00 1.56 -0.12 0.00 0.00 0.00 0.00 51.96 53.40 1mx7 s ALA 121 Cb -0.02 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.61 1mx7 s ALA 121 CO 0.00 -0.94 1.07 -1.91 0.00 0.00 0.00 175.76 173.98 1mx7 n GLU 122 N 5.40 -6.60 -0.22 0.00 2.13 -1.26 -1.96 120.64 118.13 1mx7 n GLU 122 Ca -0.07 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1mx7 n GLU 122 Cb 0.50 -5.67 0.00 0.00 0.27 0.00 0.00 31.44 26.54 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 1.47 3.76 8.31 0.00 -1.26 -4.92 105.19 110.71 1mx7 n GLY 123 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.83 5.39 -0.06 1.61 1.01 -0.83 -5.09 120.40 119.60 1mx7 s VAL 124 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1mx7 s VAL 124 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1mx7 s VAL 124 CO 0.00 0.46 -0.09 -0.89 0.00 0.00 0.00 175.10 174.58 1mx7 s THR 125 N 0.12 3.49 0.04 3.92 2.01 -1.26 -0.67 115.64 123.29 1mx7 s THR 125 Ca 0.12 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.60 1mx7 s THR 125 Cb -0.12 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1mx7 s THR 125 CO 0.01 0.59 -0.15 0.00 -0.69 0.00 0.00 174.62 174.37 1mx7 s LYS 127 N -1.12 0.30 -0.05 0.00 1.02 -1.26 -1.29 119.74 117.35 1mx7 s LYS 127 Ca 0.03 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 55.80 1mx7 s LYS 127 Cb -0.08 -0.24 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1mx7 s LYS 127 CO 0.01 0.06 -0.07 -0.65 -0.92 0.00 0.00 175.35 173.79 1mx7 s GLN 128 N -0.35 1.03 -0.57 1.68 -0.21 -0.97 -2.69 119.66 117.58 1mx7 s GLN 128 Ca -0.01 -0.19 -0.09 0.00 0.02 0.00 0.00 55.36 55.08 1mx7 s GLN 128 Cb -0.03 -0.96 0.15 0.00 1.00 0.00 0.00 33.01 33.17 1mx7 s GLN 128 CO -0.00 -0.04 0.45 0.14 -2.12 0.00 0.00 175.29 173.73 1mx7 s VAL 129 N 0.77 4.45 0.85 1.09 -7.23 -1.16 -2.02 120.40 117.15 1mx7 s VAL 129 Ca -0.12 -2.12 -0.10 0.00 -1.81 0.00 0.00 61.98 57.83 1mx7 s VAL 129 Cb -0.14 -3.88 0.15 0.00 0.56 0.00 0.00 36.38 33.07 1mx7 s VAL 129 CO 0.01 -0.85 1.18 -0.36 -0.31 0.00 0.00 175.10 174.77 1mx7 s PHE 130 N 0.88 1.92 -0.30 2.82 0.08 -0.62 0.32 117.98 123.08 1mx7 s PHE 130 Ca 0.10 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.38 1mx7 s PHE 130 Cb -0.22 -3.64 0.14 0.00 -0.57 0.00 0.00 43.02 38.73 1mx7 s PHE 130 CO -0.03 -2.14 0.33 0.21 -0.10 0.00 0.00 175.22 173.49 1mx7 s LYS 131 N -5.57 0.39 0.05 0.44 2.47 -1.10 -4.06 119.74 112.36 1mx7 s LYS 131 Ca 0.69 -0.21 -0.30 0.00 -1.56 0.00 0.00 55.97 54.58 1mx7 s LYS 131 Cb -0.06 -0.60 -0.08 0.00 -1.46 0.00 0.00 37.83 35.63 1mx7 s LYS 131 CO 0.49 -1.06 1.75 0.21 0.16 0.00 0.00 175.35 176.90 1mx7 s LYS 132 N 2.24 4.17 -0.17 4.03 2.20 -1.17 -3.97 119.74 127.06 1mx7 s LYS 132 Ca 0.11 2.41 -0.15 0.00 -0.36 0.00 0.00 55.97 57.98 1mx7 s LYS 132 Cb -0.14 -3.80 -0.07 0.00 -1.51 0.00 0.00 37.83 32.31 1mx7 s LYS 132 CO -0.28 -0.82 -0.31 0.28 -0.36 0.00 0.00 175.35 173.86 1mx7 n VAL 133 N 5.07 1.43 -0.50 4.02 0.31 -1.20 -4.94 118.33 122.52 1mx7 n VAL 133 Ca 0.17 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1mx7 n VAL 133 Cb 0.41 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08