#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 1.98 -2.38 -1.45 0.24 -1.26 -5.01 118.33 110.45 1mx7 n VAL 2 Ca 0.00 -1.58 -0.37 0.00 -2.04 0.00 0.00 64.34 60.35 1mx7 n VAL 2 Cb 0.00 -0.04 -0.02 0.00 -1.47 0.00 0.00 33.84 32.30 1mx7 n VAL 2 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mx7 s ASP 3 N -1.54 6.51 -0.11 -1.34 -1.08 -1.26 -4.99 116.67 112.86 1mx7 s ASP 3 Ca 0.39 2.22 0.17 0.00 -0.52 0.00 0.00 52.55 54.81 1mx7 s ASP 3 Cb 0.29 -2.60 -0.24 0.00 -1.46 0.00 0.00 42.92 38.91 1mx7 s ASP 3 CO 0.12 -0.68 0.35 0.49 0.52 0.00 0.00 175.17 175.98 1mx7 n PHE 4 N -0.14 0.35 -2.00 -5.34 3.72 -1.26 -5.01 117.46 107.79 1mx7 n PHE 4 Ca 0.05 0.12 -0.41 0.00 -0.05 0.00 0.00 57.45 57.17 1mx7 n PHE 4 Cb 0.48 -1.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.01 1mx7 n PHE 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1mx7 s ASN 5 N -5.55 6.61 0.00 4.37 4.22 -1.26 -4.76 114.94 118.57 1mx7 s ASN 5 Ca -0.08 2.82 0.00 0.00 -2.14 0.00 0.00 52.86 53.47 1mx7 s ASN 5 Cb 0.08 -2.66 0.00 0.00 1.28 0.00 0.00 41.25 39.95 1mx7 s ASN 5 CO 0.84 -0.67 0.00 0.61 -2.04 0.00 0.00 177.10 175.84 1mx7 n GLY 6 N 0.73 1.16 3.16 0.45 0.00 -0.76 -4.96 105.19 104.97 1mx7 n GLY 6 Ca 0.01 0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 1.65 -1.77 0.05 1.61 1.51 -1.26 -4.23 117.35 114.92 1mx7 s TYR 7 Ca 0.00 0.90 -0.18 0.00 -1.01 0.00 0.00 57.07 56.77 1mx7 s TYR 7 Cb 0.00 0.31 -0.06 0.00 -0.11 0.00 0.00 41.96 42.09 1mx7 s TYR 7 CO 0.00 -1.06 0.53 -1.58 -1.11 0.00 0.00 175.55 172.33 1mx7 s TRP 8 N 2.66 3.78 0.00 2.71 0.23 0.19 -3.79 118.94 124.71 1mx7 s TRP 8 Ca 0.12 1.21 0.00 0.00 -2.03 0.00 0.00 56.10 55.40 1mx7 s TRP 8 Cb -0.08 -2.46 0.00 0.00 0.03 0.00 0.00 33.47 30.96 1mx7 s TRP 8 CO -0.22 0.59 0.87 0.36 0.96 0.00 0.00 176.95 179.50 1mx7 n LYS 9 N 1.81 2.16 -1.68 4.98 2.85 -1.23 -2.78 118.16 124.27 1mx7 n LYS 9 Ca -0.11 -1.24 0.00 0.00 -1.05 0.00 0.00 58.31 55.91 1mx7 n LYS 9 Cb 0.51 -0.92 0.00 0.00 -0.65 0.00 0.00 35.03 33.97 1mx7 n LYS 9 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1mx7 n MET 10 N -0.38 -4.78 -0.02 -1.58 0.00 -1.26 -4.91 117.12 104.19 1mx7 n MET 10 Ca 0.00 3.50 -0.06 0.00 -0.00 0.00 0.00 57.70 61.14 1mx7 n MET 10 Cb 0.26 -3.90 -0.02 0.00 0.00 0.00 0.00 33.22 29.56 1mx7 n MET 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1mx7 n LEU 11 N -0.22 1.12 0.00 -0.89 7.94 0.30 -4.73 117.00 120.52 1mx7 n LEU 11 Ca 0.00 0.17 -0.10 0.00 -1.11 0.00 0.00 56.01 54.97 1mx7 n LEU 11 Cb 0.00 -0.40 -0.00 0.00 0.53 0.00 0.00 43.42 43.54 1mx7 n LEU 11 CO 0.00 -0.28 0.29 -1.54 -1.11 0.00 0.00 177.39 174.75 1mx7 n SER 12 N -3.68 -1.53 -3.75 1.96 3.41 0.13 -4.98 113.62 105.18 1mx7 n SER 12 Ca -0.10 -2.49 -0.10 0.00 -0.26 0.00 0.00 58.87 55.92 1mx7 n SER 12 Cb 0.36 2.67 -0.04 0.00 -0.26 0.00 0.00 64.21 66.93 1mx7 n SER 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1mx7 s ASN 13 N -2.80 -0.21 0.00 4.04 2.20 -1.26 -1.42 114.94 115.49 1mx7 s ASN 13 Ca 0.19 -0.51 0.00 0.00 -0.94 0.00 0.00 52.86 51.60 1mx7 s ASN 13 Cb -0.02 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.77 1mx7 s ASN 13 CO 0.14 -1.00 0.53 -1.84 -2.94 0.00 0.00 177.10 171.99 1mx7 n GLU 14 N -0.30 0.00 -0.75 3.55 0.28 -1.22 -4.96 120.64 117.23 1mx7 n GLU 14 Ca -0.11 -0.18 -0.04 0.00 -0.16 0.00 0.00 57.16 56.67 1mx7 n GLU 14 Cb 0.63 -0.10 -0.04 0.00 1.43 0.00 0.00 31.44 33.36 1mx7 n GLU 14 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1mx7 n ASN 15 N 0.00 -0.55 0.14 -1.84 3.02 -1.26 -4.92 115.26 109.84 1mx7 n ASN 15 Ca 0.00 -1.40 -0.14 0.00 -0.03 0.00 0.00 54.58 53.01 1mx7 n ASN 15 Cb 0.53 0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.79 1mx7 n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1mx7 h PHE 16 N 0.00 -0.28 -0.18 3.10 3.57 -1.92 -1.09 116.94 120.14 1mx7 h PHE 16 Ca -0.32 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.06 1mx7 h PHE 16 Cb 1.13 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1mx7 h PHE 16 CO -0.19 -0.07 -0.39 1.49 -2.23 0.00 0.00 178.31 176.91 1mx7 h GLU 17 N -0.44 0.40 0.00 1.11 4.22 -1.95 -2.19 114.58 115.73 1mx7 h GLU 17 Ca -0.03 -0.19 -0.06 0.00 0.08 0.00 0.00 59.36 59.16 1mx7 h GLU 17 Cb 0.34 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1mx7 h GLU 17 CO 0.05 0.73 -0.28 1.49 -2.18 0.00 0.00 179.01 178.82 1mx7 h GLU 18 N 0.34 0.00 0.04 1.92 4.57 -1.96 -2.94 114.58 116.55 1mx7 h GLU 18 Ca 0.03 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.99 1mx7 h GLU 18 Cb 0.84 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1mx7 h GLU 18 CO 0.07 0.28 -1.00 -0.92 -1.18 0.00 0.00 179.01 176.26 1mx7 h TYR 19 N 0.00 0.27 -0.00 0.92 3.20 -0.89 -3.19 116.97 117.27 1mx7 h TYR 19 Ca -0.00 -0.17 -0.17 0.00 3.14 0.00 0.00 58.73 61.53 1mx7 h TYR 19 Cb 1.07 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 1mx7 h TYR 19 CO 0.00 1.06 -0.81 -0.07 -1.64 0.00 0.00 178.16 176.70 1mx7 h LEU 20 N 0.07 0.04 -1.27 2.82 3.38 -1.28 -3.16 115.31 115.91 1mx7 h LEU 20 Ca -0.06 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1mx7 h LEU 20 Cb 1.69 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1mx7 h LEU 20 CO 0.15 0.83 -0.32 -0.09 0.09 0.00 0.00 178.44 179.10 1mx7 h ARG 21 N 0.02 0.00 -0.04 1.13 2.43 -1.56 -2.47 114.38 113.89 1mx7 h ARG 21 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1mx7 h ARG 21 Cb 1.42 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1mx7 h ARG 21 CO 0.11 0.32 -0.04 0.00 -1.51 0.00 0.00 179.97 178.84 1mx7 h ALA 22 N 1.68 0.05 0.00 2.80 0.00 -1.53 -3.10 119.26 119.16 1mx7 h ALA 22 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1mx7 h ALA 22 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1mx7 h ALA 22 CO 0.04 -0.15 0.00 -0.07 0.00 0.00 0.00 179.25 179.07 1mx7 h LEU 23 N -0.39 0.00 1.51 0.00 3.38 -1.54 -3.48 115.31 114.79 1mx7 h LEU 23 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 1mx7 h LEU 23 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1mx7 h LEU 23 CO 0.01 0.00 -0.28 0.47 0.09 0.00 0.00 178.44 178.73 1mx7 n ASP 24 N -2.37 -3.76 -3.52 -0.43 8.00 -0.94 -5.03 116.55 108.50 1mx7 n ASP 24 Ca 0.04 0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.25 1mx7 n ASP 24 Cb 0.34 -2.91 0.28 0.00 -0.02 0.00 0.00 41.12 38.81 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1mx7 s VAL 25 N -2.55 1.27 0.68 2.53 -7.23 -1.20 -4.95 120.40 108.95 1mx7 s VAL 25 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 1mx7 s VAL 25 Cb 0.00 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.85 1mx7 s VAL 25 CO 0.00 0.00 1.23 0.20 -0.31 0.00 0.00 175.10 176.22 1mx7 s ASN 26 N -3.16 4.51 0.27 4.85 -0.87 -1.26 -4.93 114.94 114.34 1mx7 s ASN 26 Ca 0.69 2.44 0.06 0.00 -1.57 0.00 0.00 52.86 54.48 1mx7 s ASN 26 Cb -0.14 -2.60 0.35 0.00 -0.02 0.00 0.00 41.25 38.84 1mx7 s ASN 26 CO 0.58 -2.06 1.63 1.62 -2.57 0.00 0.00 177.10 176.30 1mx7 h VAL 27 N 0.19 1.36 0.00 1.60 3.04 -1.99 -2.52 116.25 117.93 1mx7 h VAL 27 Ca -0.49 -1.80 -0.07 0.00 -1.01 0.00 0.00 66.70 63.32 1mx7 h VAL 27 Cb 1.31 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 32.47 1mx7 h VAL 27 CO 0.52 0.53 -0.35 0.00 -1.01 0.00 0.00 177.57 177.26 1mx7 h ALA 28 N 1.29 0.93 0.01 3.17 0.00 -1.99 -2.30 119.26 120.38 1mx7 h ALA 28 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1mx7 h ALA 28 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1mx7 h ALA 28 CO 0.08 0.43 -0.01 1.25 0.00 0.00 0.00 179.25 181.01 1mx7 h LEU 29 N 0.00 -0.02 -2.03 0.00 7.12 -1.89 -3.08 115.31 115.41 1mx7 h LEU 29 Ca -0.00 -0.67 -0.02 0.00 0.13 0.00 0.00 57.88 57.32 1mx7 h LEU 29 Cb 0.95 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.08 1mx7 h LEU 29 CO 0.04 0.67 -0.09 -0.09 -0.13 0.00 0.00 178.44 178.84 1mx7 h ARG 30 N -0.72 0.00 -0.07 1.25 1.12 -1.41 -2.39 114.38 112.16 1mx7 h ARG 30 Ca -0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 1mx7 h ARG 30 Cb 0.68 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.65 1mx7 h ARG 30 CO 0.00 0.09 -0.43 -0.22 -3.11 0.00 0.00 179.97 176.31 1mx7 h LYS 31 N 0.00 0.41 0.26 0.20 3.64 -1.45 -3.24 116.57 116.38 1mx7 h LYS 31 Ca -0.00 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1mx7 h LYS 31 Cb 0.25 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1mx7 h LYS 31 CO 0.01 1.00 -0.13 0.82 -2.27 0.00 0.00 179.45 178.88 1mx7 h ILE 32 N -0.07 0.71 -1.17 2.00 1.08 -1.41 -3.28 117.51 115.36 1mx7 h ILE 32 Ca -0.04 -0.79 0.34 0.00 -0.39 0.00 0.00 64.86 63.99 1mx7 h ILE 32 Cb 1.10 1.09 -0.05 0.00 -3.07 0.00 0.00 36.82 35.89 1mx7 h ILE 32 CO 0.09 0.15 0.98 0.00 -0.69 0.00 0.00 178.15 178.67 1mx7 h ALA 33 N -0.31 3.06 -0.01 1.87 0.00 -1.58 0.24 119.26 122.54 1mx7 h ALA 33 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mx7 h ALA 33 Cb 0.51 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1mx7 h ALA 33 CO 0.06 -1.58 -0.08 -1.71 0.00 0.00 0.00 179.25 175.94 1mx7 n ASN 34 N -3.83 0.77 -0.01 0.00 2.85 -1.22 -3.47 115.26 110.35 1mx7 n ASN 34 Ca 0.26 -0.97 0.08 0.00 -0.11 0.00 0.00 54.58 53.83 1mx7 n ASN 34 Cb 1.36 -0.01 -0.13 0.00 1.24 0.00 0.00 39.78 42.23 1mx7 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1mx7 n LEU 35 N -0.58 0.00 -4.50 1.20 4.77 0.82 -5.02 117.00 113.69 1mx7 n LEU 35 Ca 0.17 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 1mx7 n LEU 35 Cb 0.28 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1mx7 n LEU 35 CO 0.21 0.01 -0.24 -1.48 -1.33 0.00 0.00 177.39 174.55 1mx7 s LEU 36 N -4.20 2.11 0.05 2.23 2.34 -1.15 -5.15 118.68 114.91 1mx7 s LEU 36 Ca -0.06 -1.51 -0.15 0.00 0.06 0.00 0.00 54.13 52.46 1mx7 s LEU 36 Cb 0.11 -0.30 0.03 0.00 -0.56 0.00 0.00 46.19 45.47 1mx7 s LEU 36 CO 0.71 -0.75 0.35 -1.59 -1.06 0.00 0.00 176.35 174.00 1mx7 s LYS 37 N -3.82 0.87 0.29 1.48 -2.85 -1.26 -4.83 119.74 109.61 1mx7 s LYS 37 Ca 0.29 -0.47 0.06 0.00 -1.00 0.00 0.00 55.97 54.86 1mx7 s LYS 37 Cb 0.06 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.19 1mx7 s LYS 37 CO 0.14 -0.29 0.36 -1.25 0.10 0.00 0.00 175.35 174.42 1mx7 s PRO 38 N -2.61 3.15 0.33 1.78 0.05 -1.26 -4.92 135.00 131.51 1mx7 s PRO 38 Ca -0.04 -0.97 0.03 0.00 0.05 0.00 0.00 61.00 60.07 1mx7 s PRO 38 Cb -0.01 -2.76 0.03 0.00 0.05 0.00 0.00 34.50 31.81 1mx7 s PRO 38 CO -0.04 0.25 0.23 -0.25 0.05 0.00 0.00 177.00 177.25 1mx7 n ASP 39 N -1.45 2.10 -3.62 6.66 9.92 -1.16 -4.71 116.55 124.29 1mx7 n ASP 39 Ca -0.05 -2.16 -0.14 0.00 -0.53 0.00 0.00 54.79 51.92 1mx7 n ASP 39 Cb 0.58 -0.01 -0.07 0.00 -0.64 0.00 0.00 41.12 40.98 1mx7 n ASP 39 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1mx7 s LYS 40 N -3.35 0.82 -0.03 -1.24 2.47 -1.12 -4.06 119.74 113.24 1mx7 s LYS 40 Ca 0.18 0.91 0.02 0.00 -1.56 0.00 0.00 55.97 55.52 1mx7 s LYS 40 Cb -0.01 0.40 0.00 0.00 -1.46 0.00 0.00 37.83 36.76 1mx7 s LYS 40 CO 0.11 -0.11 -0.09 -2.00 0.16 0.00 0.00 175.35 173.42 1mx7 s GLU 41 N 0.25 0.97 -0.00 4.03 2.12 -1.13 0.52 118.70 125.46 1mx7 s GLU 41 Ca -0.01 -0.31 0.08 0.00 0.36 0.00 0.00 54.97 55.09 1mx7 s GLU 41 Cb -0.05 -0.91 -0.02 0.00 0.26 0.00 0.00 34.13 33.42 1mx7 s GLU 41 CO 0.01 0.11 -0.24 0.42 -0.54 0.00 0.00 175.26 175.02 1mx7 s ILE 42 N 0.19 1.92 -0.01 -3.70 -1.09 -1.26 -3.07 121.20 114.17 1mx7 s ILE 42 Ca -0.03 -1.11 0.01 0.00 -2.23 0.00 0.00 60.65 57.29 1mx7 s ILE 42 Cb -0.09 -1.61 0.01 0.00 -1.58 0.00 0.00 42.46 39.20 1mx7 s ILE 42 CO 0.00 0.48 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.49 1mx7 s VAL 43 N -0.63 0.19 -0.20 2.92 1.01 -1.12 -1.82 120.40 120.75 1mx7 s VAL 43 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1mx7 s VAL 43 Cb -0.09 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.11 1mx7 s VAL 43 CO -0.00 0.10 -0.07 -1.58 0.00 0.00 0.00 175.10 173.55 1mx7 s GLN 44 N 0.43 1.69 0.30 2.72 0.74 -1.26 -2.41 119.66 121.87 1mx7 s GLN 44 Ca -0.04 -0.77 0.24 0.00 0.05 0.00 0.00 55.36 54.84 1mx7 s GLN 44 Cb -0.07 -2.33 0.47 0.00 1.10 0.00 0.00 33.01 32.17 1mx7 s GLN 44 CO -0.01 -0.49 1.57 0.22 -0.55 0.00 0.00 175.29 176.04 1mx7 h ASP 45 N 8.02 0.00 0.00 6.67 1.82 -1.76 -3.49 116.42 127.68 1mx7 h ASP 45 Ca -0.23 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1mx7 h ASP 45 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1mx7 h ASP 45 CO 0.43 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.68 1mx7 n GLY 46 N 1.21 0.74 0.10 -0.78 0.00 -1.26 -4.77 105.19 100.42 1mx7 n GLY 46 Ca 0.04 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.52 -4.63 1.61 8.00 -1.26 -4.60 116.55 116.20 1mx7 n ASP 47 Ca 0.00 0.62 -0.32 0.00 0.71 0.00 0.00 54.79 55.80 1mx7 n ASP 47 Cb 0.00 -0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 40.27 1mx7 n ASP 47 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1mx7 s HIS 48 N -3.22 2.95 0.09 1.24 3.76 -1.26 -3.06 115.29 115.80 1mx7 s HIS 48 Ca 0.06 0.00 0.04 0.00 -0.15 0.00 0.00 55.06 55.00 1mx7 s HIS 48 Cb 0.10 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.13 1mx7 s HIS 48 CO 0.39 0.41 -0.10 1.41 -0.85 0.00 0.00 174.74 176.00 1mx7 s MET 49 N -1.53 0.83 -0.05 1.40 1.75 0.12 -1.88 119.30 119.94 1mx7 s MET 49 Ca 0.18 -1.13 -0.02 0.00 -1.25 0.00 0.00 55.69 53.47 1mx7 s MET 49 Cb -0.11 -0.52 0.03 0.00 2.84 0.00 0.00 34.83 37.06 1mx7 s MET 49 CO 0.09 0.08 0.10 0.42 -0.65 0.00 0.00 175.02 175.06 1mx7 s ILE 50 N -2.37 -0.04 -0.13 10.11 1.09 -1.01 -1.48 121.20 127.36 1mx7 s ILE 50 Ca 0.04 0.15 0.03 0.00 -1.10 0.00 0.00 60.65 59.78 1mx7 s ILE 50 Cb -0.03 -0.17 0.01 0.00 -1.06 0.00 0.00 42.46 41.21 1mx7 s ILE 50 CO 0.00 0.06 -0.22 -0.63 -0.10 0.00 0.00 174.94 174.05 1mx7 s ILE 51 N 0.91 2.03 -0.13 2.92 -1.09 -1.21 -2.81 121.20 121.82 1mx7 s ILE 51 Ca -0.07 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 1mx7 s ILE 51 Cb -0.10 -1.80 -0.01 0.00 -1.58 0.00 0.00 42.46 38.98 1mx7 s ILE 51 CO -0.04 0.55 -0.16 0.00 -1.23 0.00 0.00 174.94 174.06 1mx7 s ARG 52 N 0.77 3.27 -0.21 2.79 1.70 -1.18 -2.83 118.95 123.27 1mx7 s ARG 52 Ca -0.08 -0.74 0.01 0.00 -0.47 0.00 0.00 55.73 54.45 1mx7 s ARG 52 Cb -0.16 -2.57 0.05 0.00 -0.57 0.00 0.00 34.95 31.70 1mx7 s ARG 52 CO -0.01 0.15 -0.09 0.99 -1.08 0.00 0.00 175.30 175.26 1mx7 s THR 53 N 0.49 1.69 -0.02 4.99 2.01 -0.06 -2.82 115.64 121.92 1mx7 s THR 53 Ca -0.11 -1.14 0.08 0.00 0.31 0.00 0.00 61.69 60.83 1mx7 s THR 53 Cb -0.16 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1mx7 s THR 53 CO 0.05 0.09 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.05 1mx7 s LEU 54 N 1.36 2.12 0.00 4.42 2.01 -1.26 -2.12 118.68 125.20 1mx7 s LEU 54 Ca -0.03 -0.46 0.00 0.00 0.01 0.00 0.00 54.13 53.65 1mx7 s LEU 54 Cb -0.17 -1.36 0.00 0.00 0.01 0.00 0.00 46.19 44.67 1mx7 s LEU 54 CO -0.07 0.32 0.67 -1.54 1.01 0.00 0.00 176.35 176.73 1mx7 n SER 55 N 2.38 -0.60 -4.17 2.29 3.41 -1.26 -2.96 113.62 112.71 1mx7 n SER 55 Ca -0.16 -1.34 -0.30 0.00 -0.26 0.00 0.00 58.87 56.81 1mx7 n SER 55 Cb 0.51 0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.58 1mx7 n SER 55 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1mx7 n THR 56 N 0.00 -1.78 0.00 6.66 -1.04 -1.26 -4.59 114.28 112.26 1mx7 n THR 56 Ca -0.17 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1mx7 n THR 56 Cb 0.54 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1mx7 n THR 56 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1mx7 n PHE 57 N -4.45 -2.27 -3.92 -1.42 7.35 -1.26 -5.09 117.46 106.39 1mx7 n PHE 57 Ca -0.25 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.09 1mx7 n PHE 57 Cb 0.65 0.46 -0.14 0.00 0.35 0.00 0.00 39.48 40.80 1mx7 n PHE 57 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1mx7 s ARG 58 N -0.91 3.18 -0.49 -4.13 3.00 -1.26 -5.08 118.95 113.26 1mx7 s ARG 58 Ca 0.00 -0.76 -0.13 0.00 -1.00 0.00 0.00 55.73 53.84 1mx7 s ARG 58 Cb 0.00 -3.00 0.10 0.00 0.00 0.00 0.00 34.95 32.05 1mx7 s ARG 58 CO 0.00 -0.27 0.40 0.54 0.00 0.00 0.00 175.30 175.96 1mx7 s ASN 59 N 1.43 5.98 -0.50 -2.12 4.22 -1.26 -4.30 114.94 118.38 1mx7 s ASN 59 Ca 0.04 -1.63 -0.24 0.00 -2.14 0.00 0.00 52.86 48.89 1mx7 s ASN 59 Cb -0.15 -2.12 0.04 0.00 1.28 0.00 0.00 41.25 40.29 1mx7 s ASN 59 CO -0.04 -0.71 0.87 -0.31 -2.04 0.00 0.00 177.10 174.87 1mx7 s TYR 60 N 1.53 2.89 0.00 1.54 1.51 -0.90 -4.96 117.35 118.97 1mx7 s TYR 60 Ca 0.04 0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.18 1mx7 s TYR 60 Cb -0.26 -3.89 -0.01 0.00 -0.11 0.00 0.00 41.96 37.69 1mx7 s TYR 60 CO 0.03 -1.18 -0.06 0.42 -1.11 0.00 0.00 175.55 173.66 1mx7 s ILE 61 N 3.62 0.45 0.34 2.71 1.01 -1.26 -0.88 121.20 127.19 1mx7 s ILE 61 Ca 0.30 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 1mx7 s ILE 61 Cb -0.12 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 41.95 1mx7 s ILE 61 CO 0.21 0.05 0.51 -0.04 0.00 0.00 0.00 174.94 175.67 1mx7 s MET 62 N -0.34 1.94 -0.40 2.79 -1.94 -1.13 -5.03 119.30 115.19 1mx7 s MET 62 Ca 0.00 -1.70 0.08 0.00 -1.71 0.00 0.00 55.69 52.36 1mx7 s MET 62 Cb -0.03 0.47 0.25 0.00 2.01 0.00 0.00 34.83 37.53 1mx7 s MET 62 CO -0.00 -0.82 0.57 -0.25 -0.01 0.00 0.00 175.02 174.51 1mx7 n ASP 63 N -1.37 -0.13 -4.77 3.03 8.00 -1.26 -3.34 116.55 116.70 1mx7 n ASP 63 Ca -0.00 -2.77 -0.37 0.00 0.71 0.00 0.00 54.79 52.35 1mx7 n ASP 63 Cb 0.61 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1mx7 n ASP 63 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1mx7 s PHE 64 N -1.04 2.95 -0.19 1.24 0.40 -0.55 -4.81 117.98 115.98 1mx7 s PHE 64 Ca 0.35 1.55 -0.01 0.00 -0.60 0.00 0.00 56.93 58.22 1mx7 s PHE 64 Cb 0.19 -3.34 0.01 0.00 0.51 0.00 0.00 43.02 40.38 1mx7 s PHE 64 CO -0.12 -1.36 -0.14 -0.65 0.70 0.00 0.00 175.22 173.64 1mx7 s GLN 65 N -2.63 3.14 -0.53 0.44 -0.21 -1.26 0.16 119.66 118.77 1mx7 s GLN 65 Ca 0.62 -0.75 -0.26 0.00 0.02 0.00 0.00 55.36 54.98 1mx7 s GLN 65 Cb -0.28 -2.72 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 1mx7 s GLN 65 CO 0.34 -0.17 2.12 0.08 -2.12 0.00 0.00 175.29 175.53 1mx7 s VAL 66 N 1.28 3.19 0.00 1.09 1.01 -1.17 -3.28 120.40 122.52 1mx7 s VAL 66 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1mx7 s VAL 66 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1mx7 s VAL 66 CO -0.08 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1mx7 n GLY 67 N 5.82 0.59 3.64 4.51 0.00 -1.13 -4.98 105.19 113.63 1mx7 n GLY 67 Ca 0.28 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.27 0.50 0.08 1.61 2.20 -1.21 -5.06 119.74 115.60 1mx7 s LYS 68 Ca 0.00 0.69 -0.25 0.00 -0.36 0.00 0.00 55.97 56.05 1mx7 s LYS 68 Cb 0.00 0.20 -0.06 0.00 -1.51 0.00 0.00 37.83 36.46 1mx7 s LYS 68 CO 0.00 -0.07 0.77 -2.00 -0.36 0.00 0.00 175.35 173.68 1mx7 s GLU 69 N 0.65 4.51 -0.27 4.03 -6.30 -1.26 -4.12 118.70 115.94 1mx7 s GLU 69 Ca -0.01 1.09 -0.14 0.00 -2.50 0.00 0.00 54.97 53.41 1mx7 s GLU 69 Cb -0.05 -3.33 0.08 0.00 0.00 0.00 0.00 34.13 30.83 1mx7 s GLU 69 CO -0.09 0.36 0.64 -0.59 0.02 0.00 0.00 175.26 175.60 1mx7 s PHE 70 N -0.35 -1.04 0.76 5.30 -0.71 -1.11 -5.05 117.98 115.79 1mx7 s PHE 70 Ca 0.38 2.03 -0.14 0.00 -1.04 0.00 0.00 56.93 58.16 1mx7 s PHE 70 Cb -0.21 0.60 0.06 0.00 -1.21 0.00 0.00 43.02 42.26 1mx7 s PHE 70 CO 0.24 -0.52 1.20 -1.83 -1.34 0.00 0.00 175.22 172.97 1mx7 s GLU 71 N 1.80 1.93 -0.61 1.99 -1.05 -1.26 -3.27 118.70 118.23 1mx7 s GLU 71 Ca -0.09 1.73 0.06 0.00 -0.15 0.00 0.00 54.97 56.52 1mx7 s GLU 71 Cb -0.07 -1.81 0.27 0.00 -0.44 0.00 0.00 34.13 32.09 1mx7 s GLU 71 CO -0.19 -1.99 0.79 -1.91 0.95 0.00 0.00 175.26 172.91 1mx7 n GLU 72 N -2.99 2.63 -1.23 -4.83 4.07 0.12 -4.90 120.64 113.49 1mx7 n GLU 72 Ca 0.13 -4.66 -0.41 0.00 -0.06 0.00 0.00 57.16 52.17 1mx7 n GLU 72 Cb 0.50 -2.21 -0.07 0.00 -0.06 0.00 0.00 31.44 29.61 1mx7 n GLU 72 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1mx7 n ASP 73 N 0.59 2.41 -4.74 4.31 5.75 -1.26 -2.70 116.55 120.90 1mx7 n ASP 73 Ca 0.30 -2.66 -0.41 0.00 -0.01 0.00 0.00 54.79 52.01 1mx7 n ASP 73 Cb 0.41 -1.15 -0.04 0.00 -1.03 0.00 0.00 41.12 39.31 1mx7 n ASP 73 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1mx7 s LEU 74 N 2.92 4.53 -0.38 -2.12 0.20 -1.23 -4.97 118.68 117.63 1mx7 s LEU 74 Ca 0.61 2.07 0.12 0.00 0.69 0.00 0.00 54.13 57.61 1mx7 s LEU 74 Cb 0.12 -3.61 0.41 0.00 -0.43 0.00 0.00 46.19 42.68 1mx7 s LEU 74 CO 0.15 -0.12 1.19 0.35 -0.29 0.00 0.00 176.35 177.63 1mx7 n THR 75 N 2.05 0.32 0.09 3.68 -2.24 -1.26 -3.05 114.28 113.86 1mx7 n THR 75 Ca 0.01 -2.11 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 1mx7 n THR 75 Cb 0.46 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.34 -0.16 0.00 3.38 0.00 -1.26 -4.96 105.19 101.85 1mx7 n GLY 76 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.44 0.00 1.90 -0.61 5.41 -1.26 -4.84 119.36 116.53 1mx7 n ILE 77 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 1mx7 n ILE 77 Cb 0.02 -0.33 0.56 0.00 -0.71 0.00 0.00 39.64 39.18 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 -0.34 0.21 0.00 4.38 5.68 -1.26 -4.91 116.55 120.31 1mx7 n ASP 78 Ca 0.00 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 1mx7 n ASP 78 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1mx7 n ASP 78 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1mx7 n ASP 79 N -0.67 -0.40 -0.69 -1.12 5.68 -1.26 -5.01 116.55 113.08 1mx7 n ASP 79 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1mx7 n ASP 79 Cb 0.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1mx7 n ASP 79 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1mx7 n ARG 80 N 0.00 -1.94 -3.04 0.11 0.63 -1.17 -4.70 116.66 106.54 1mx7 n ARG 80 Ca 0.00 1.41 -0.41 0.00 -0.92 0.00 0.00 57.85 57.93 1mx7 n ARG 80 Cb 0.00 -1.55 -0.05 0.00 0.45 0.00 0.00 32.46 31.31 1mx7 n ARG 80 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1mx7 s LYS 81 N -3.44 4.21 0.42 -0.14 2.20 -1.26 -3.54 119.74 118.19 1mx7 s LYS 81 Ca 0.00 0.73 0.05 0.00 -0.36 0.00 0.00 55.97 56.39 1mx7 s LYS 81 Cb 0.00 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.66 1mx7 s LYS 81 CO 0.00 -0.32 0.02 0.00 -0.36 0.00 0.00 175.35 174.69 1mx7 s MET 83 N -3.78 3.22 -0.01 0.00 1.75 -1.26 0.10 119.30 119.33 1mx7 s MET 83 Ca 0.28 -0.76 0.05 0.00 -1.25 0.00 0.00 55.69 54.01 1mx7 s MET 83 Cb 0.07 -2.59 -0.01 0.00 2.84 0.00 0.00 34.83 35.14 1mx7 s MET 83 CO 0.14 0.06 -0.17 0.99 -0.65 0.00 0.00 175.02 175.39 1mx7 s THR 84 N 0.69 1.32 -0.31 10.11 2.01 -1.20 0.11 115.64 128.37 1mx7 s THR 84 Ca -0.08 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1mx7 s THR 84 Cb -0.16 -1.10 0.09 0.00 0.01 0.00 0.00 72.50 71.34 1mx7 s THR 84 CO 0.02 0.37 0.06 -0.89 -0.69 0.00 0.00 174.62 173.48 1mx7 s THR 85 N -0.40 1.47 0.16 -0.82 2.01 -1.24 -2.74 115.64 114.08 1mx7 s THR 85 Ca 0.06 -1.70 -0.28 0.00 0.31 0.00 0.00 61.69 60.08 1mx7 s THR 85 Cb -0.06 -2.04 -0.08 0.00 0.01 0.00 0.00 72.50 70.33 1mx7 s THR 85 CO -0.01 -0.56 0.87 0.68 -0.69 0.00 0.00 174.62 174.91 1mx7 s VAL 86 N 1.33 4.34 0.18 3.82 -7.23 -1.26 -4.27 120.40 117.32 1mx7 s VAL 86 Ca 0.08 1.90 -0.07 0.00 -1.81 0.00 0.00 61.98 62.08 1mx7 s VAL 86 Cb -0.18 -4.24 -0.02 0.00 0.56 0.00 0.00 36.38 32.50 1mx7 s VAL 86 CO -0.16 0.45 0.26 -0.55 -0.31 0.00 0.00 175.10 174.79 1mx7 s SER 87 N -0.77 0.07 -0.18 4.85 0.15 -1.07 -2.85 113.70 113.91 1mx7 s SER 87 Ca 0.40 -1.03 -0.13 0.00 0.70 0.00 0.00 55.95 55.89 1mx7 s SER 87 Cb -0.24 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1mx7 s SER 87 CO 0.28 -0.91 0.25 0.86 1.20 0.00 0.00 173.24 174.93 1mx7 s TRP 88 N -4.03 3.43 -0.30 3.44 -0.00 -1.26 -2.86 118.94 117.36 1mx7 s TRP 88 Ca 0.23 0.50 -0.03 0.00 -0.00 0.00 0.00 56.10 56.80 1mx7 s TRP 88 Cb 0.04 -2.31 0.11 0.00 -0.00 0.00 0.00 33.47 31.31 1mx7 s TRP 88 CO 0.04 0.21 0.15 -0.51 -0.00 0.00 0.00 176.95 176.84 1mx7 s ASP 89 N 0.54 3.43 1.17 5.86 1.01 -1.08 -4.97 116.67 122.63 1mx7 s ASP 89 Ca 0.14 -1.47 0.00 0.00 0.71 0.00 0.00 52.55 51.92 1mx7 s ASP 89 Cb -0.13 -0.37 0.00 0.00 1.01 0.00 0.00 42.92 43.44 1mx7 s ASP 89 CO 0.03 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 175.60 1mx7 n GLY 90 N 5.00 3.14 1.34 0.21 0.00 -1.26 0.48 105.19 114.09 1mx7 n GLY 90 Ca -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 3.16 3.29 -4.59 1.61 9.92 -1.26 -4.90 116.55 123.79 1mx7 n ASP 91 Ca 0.00 -2.57 -0.27 0.00 -0.53 0.00 0.00 54.79 51.42 1mx7 n ASP 91 Cb 0.00 -0.62 -0.11 0.00 -0.64 0.00 0.00 41.12 39.76 1mx7 n ASP 91 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1mx7 s LYS 92 N -1.71 1.90 -0.33 -1.24 1.02 0.18 -4.35 119.74 115.20 1mx7 s LYS 92 Ca 0.26 -2.01 0.02 0.00 0.02 0.00 0.00 55.97 54.26 1mx7 s LYS 92 Cb 0.21 -1.69 0.10 0.00 -0.52 0.00 0.00 37.83 35.93 1mx7 s LYS 92 CO 0.07 0.05 0.08 -1.17 -0.92 0.00 0.00 175.35 173.45 1mx7 s LEU 93 N -3.67 3.69 0.08 3.17 2.96 -0.34 -2.64 118.68 121.94 1mx7 s LEU 93 Ca 0.34 -1.97 -0.24 0.00 -0.22 0.00 0.00 54.13 52.04 1mx7 s LEU 93 Cb 0.06 -1.31 -0.06 0.00 0.50 0.00 0.00 46.19 45.38 1mx7 s LEU 93 CO 0.17 -0.39 0.72 -1.10 -1.32 0.00 0.00 176.35 174.43 1mx7 s GLN 94 N 1.16 4.45 -0.04 1.98 -1.52 -1.13 -2.27 119.66 122.28 1mx7 s GLN 94 Ca 0.11 1.00 -0.01 0.00 -1.95 0.00 0.00 55.36 54.51 1mx7 s GLN 94 Cb -0.18 -3.31 0.03 0.00 -0.22 0.00 0.00 33.01 29.32 1mx7 s GLN 94 CO -0.15 0.43 0.02 0.00 -0.25 0.00 0.00 175.29 175.35 1mx7 s VAL 96 N 1.66 0.56 0.11 0.00 1.01 -1.26 -1.87 120.40 120.62 1mx7 s VAL 96 Ca -0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1mx7 s VAL 96 Cb -0.13 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.40 1mx7 s VAL 96 CO -0.03 0.15 0.53 -1.10 0.00 0.00 0.00 175.10 174.65 1mx7 s GLN 97 N 1.88 4.02 -0.04 2.72 -0.21 -0.79 -3.59 119.66 123.64 1mx7 s GLN 97 Ca 0.03 0.53 0.04 0.00 0.02 0.00 0.00 55.36 55.98 1mx7 s GLN 97 Cb -0.14 -3.04 0.20 0.00 1.00 0.00 0.00 33.01 31.04 1mx7 s GLN 97 CO -0.07 0.54 0.92 1.63 -2.12 0.00 0.00 175.29 176.20 1mx7 n LYS 98 N 1.13 1.86 -1.41 2.91 4.01 0.29 -4.73 118.16 122.21 1mx7 n LYS 98 Ca -0.08 -0.79 -0.24 0.00 -0.51 0.00 0.00 58.31 56.69 1mx7 n LYS 98 Cb 0.52 -1.54 0.18 0.00 -0.51 0.00 0.00 35.03 33.67 1mx7 n LYS 98 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mx7 n GLY 99 N 0.35 -1.72 3.74 0.72 0.00 -1.26 -4.61 105.19 102.41 1mx7 n GLY 99 Ca 0.07 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1mx7 n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mx7 s GLU 100 N -5.32 1.60 0.01 1.61 2.12 -1.26 -4.93 118.70 112.53 1mx7 s GLU 100 Ca 0.61 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.79 1mx7 s GLU 100 Cb -0.03 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.52 1mx7 s GLU 100 CO 0.44 -2.01 0.00 1.63 -0.54 0.00 0.00 175.26 174.78 1mx7 n LYS 101 N -3.73 0.00 -4.35 4.30 5.02 -1.26 -4.79 118.16 113.35 1mx7 n LYS 101 Ca 0.07 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.03 1mx7 n LYS 101 Cb 0.55 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.44 1mx7 n LYS 101 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1mx7 s GLU 102 N -0.99 3.66 0.00 1.97 2.02 -1.26 -4.63 118.70 119.47 1mx7 s GLU 102 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1mx7 s GLU 102 Cb 0.00 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.29 1mx7 s GLU 102 CO 0.00 0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.97 1mx7 n GLY 103 N 3.42 3.06 3.57 -1.39 0.00 -1.26 0.13 105.19 112.71 1mx7 n GLY 103 Ca -0.17 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.31 0.12 0.00 1.61 1.74 -1.23 -4.17 116.66 113.42 1mx7 n ARG 104 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1mx7 n ARG 104 Cb 0.00 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 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 5.27 2.58 3.45 -0.13 0.00 -1.24 -1.88 105.19 113.24 1mx7 n GLY 105 Ca 0.39 -2.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.91 1.78 -0.04 1.61 0.51 -0.78 -2.57 118.94 117.54 1mx7 s TRP 106 Ca 0.00 -1.21 0.02 0.00 -2.12 0.00 0.00 56.10 52.79 1mx7 s TRP 106 Cb 0.00 -1.11 0.01 0.00 -0.81 0.00 0.00 33.47 31.55 1mx7 s TRP 106 CO 0.00 -0.27 -0.10 0.99 -0.51 0.00 0.00 176.95 177.06 1mx7 s THR 107 N -3.35 0.91 -0.12 2.01 2.01 -0.50 -2.28 115.64 114.32 1mx7 s THR 107 Ca 0.30 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1mx7 s THR 107 Cb 0.05 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.75 1mx7 s THR 107 CO 0.15 0.29 -0.20 -1.58 -0.69 0.00 0.00 174.62 172.59 1mx7 s GLN 108 N 0.37 2.70 0.01 4.92 -0.44 -0.96 -2.15 119.66 124.11 1mx7 s GLN 108 Ca -0.07 -0.74 0.01 0.00 -2.50 0.00 0.00 55.36 52.06 1mx7 s GLN 108 Cb -0.11 -2.20 -0.01 0.00 -1.64 0.00 0.00 33.01 29.04 1mx7 s GLN 108 CO 0.01 -0.01 -0.03 1.67 0.50 0.00 0.00 175.29 177.43 1mx7 s TRP 109 N 0.83 0.30 -0.11 1.67 -2.14 -1.26 -1.20 118.94 117.04 1mx7 s TRP 109 Ca -0.08 -0.28 -0.04 0.00 2.66 0.00 0.00 56.10 58.36 1mx7 s TRP 109 Cb -0.16 -0.20 -0.04 0.00 -3.10 0.00 0.00 33.47 29.98 1mx7 s TRP 109 CO -0.01 -0.08 0.03 0.42 -2.66 0.00 0.00 176.95 174.66 1mx7 s ILE 110 N -0.76 4.57 0.35 0.66 1.01 -1.26 -3.53 121.20 122.24 1mx7 s ILE 110 Ca -0.07 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1mx7 s ILE 110 Cb -0.06 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1mx7 s ILE 110 CO -0.00 0.58 0.36 -0.70 0.00 0.00 0.00 174.94 175.18 1mx7 s GLU 111 N -0.65 2.80 0.00 2.79 2.12 -0.88 -5.03 118.70 119.86 1mx7 s GLU 111 Ca 0.11 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.19 1mx7 s GLU 111 Cb -0.12 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.71 1mx7 s GLU 111 CO 0.02 0.03 0.83 0.41 -0.54 0.00 0.00 175.26 176.01 1mx7 n GLY 112 N -1.48 -3.23 1.55 -1.50 0.00 -1.26 -3.44 105.19 95.83 1mx7 n GLY 112 Ca -0.00 0.64 -0.10 0.00 0.00 0.00 0.00 46.02 46.55 1mx7 n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mx7 n ASP 113 N -2.37 3.35 -3.86 1.61 2.03 -1.26 -5.05 116.55 111.01 1mx7 n ASP 113 Ca 0.00 -3.59 -0.10 0.00 0.52 0.00 0.00 54.79 51.62 1mx7 n ASP 113 Cb 0.00 -0.42 -0.06 0.00 -0.72 0.00 0.00 41.12 39.93 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1mx7 s GLU 114 N -3.31 1.19 -0.18 -0.67 2.02 -1.22 -3.17 118.70 113.36 1mx7 s GLU 114 Ca 0.44 -1.02 0.01 0.00 0.02 0.00 0.00 54.97 54.42 1mx7 s GLU 114 Cb 0.39 0.42 0.02 0.00 0.10 0.00 0.00 34.13 35.06 1mx7 s GLU 114 CO -0.02 -0.46 -0.19 -1.17 0.02 0.00 0.00 175.26 173.45 1mx7 s LEU 115 N -2.92 2.20 -0.52 1.80 1.98 -1.26 -2.07 118.68 117.90 1mx7 s LEU 115 Ca 0.12 -0.62 0.03 0.00 -2.89 0.00 0.00 54.13 50.78 1mx7 s LEU 115 Cb 0.02 -1.50 0.13 0.00 0.66 0.00 0.00 46.19 45.50 1mx7 s LEU 115 CO -0.03 0.01 0.26 -1.00 -1.89 0.00 0.00 176.35 173.71 1mx7 s HIS 116 N 1.21 3.27 0.32 5.38 3.76 -1.23 -2.26 115.29 125.75 1mx7 s HIS 116 Ca 0.03 -3.10 -0.13 0.00 -0.15 0.00 0.00 55.06 51.71 1mx7 s HIS 116 Cb -0.14 -2.88 -0.08 0.00 1.11 0.00 0.00 32.58 30.59 1mx7 s HIS 116 CO -0.10 -0.77 0.70 -1.17 -0.85 0.00 0.00 174.74 172.55 1mx7 s LEU 117 N -0.14 4.03 -0.26 0.89 2.96 -1.21 -4.01 118.68 120.94 1mx7 s LEU 117 Ca 0.16 1.16 -0.04 0.00 -0.22 0.00 0.00 54.13 55.20 1mx7 s LEU 117 Cb -0.25 -3.98 0.09 0.00 0.50 0.00 0.00 46.19 42.55 1mx7 s LEU 117 CO -0.01 -0.22 0.12 -0.70 -1.32 0.00 0.00 176.35 174.21 1mx7 s GLU 118 N -3.16 0.19 0.18 1.98 2.12 -0.91 -2.71 118.70 116.39 1mx7 s GLU 118 Ca 0.52 -0.43 -0.00 0.00 0.36 0.00 0.00 54.97 55.41 1mx7 s GLU 118 Cb -0.10 -1.40 -0.04 0.00 0.26 0.00 0.00 34.13 32.84 1mx7 s GLU 118 CO 0.21 -0.91 0.36 -1.64 -0.54 0.00 0.00 175.26 172.74 1mx7 s MET 119 N 2.08 3.50 0.04 4.30 -1.94 -0.09 -1.41 119.30 125.79 1mx7 s MET 119 Ca 0.07 -0.39 -0.10 0.00 -1.71 0.00 0.00 55.69 53.56 1mx7 s MET 119 Cb -0.16 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 33.81 1mx7 s MET 119 CO -0.28 0.43 0.20 0.50 -0.01 0.00 0.00 175.02 175.86 1mx7 s ARG 120 N -3.26 0.70 -0.30 2.03 6.06 -1.06 -1.51 118.95 121.61 1mx7 s ARG 120 Ca 0.38 -0.62 -0.14 0.00 -2.50 0.00 0.00 55.73 52.84 1mx7 s ARG 120 Cb -0.11 0.29 0.17 0.00 0.06 0.00 0.00 34.95 35.36 1mx7 s ARG 120 CO 0.29 -0.20 0.98 0.00 -2.50 0.00 0.00 175.30 173.87 1mx7 s ALA 121 N -2.56 -2.77 -1.07 6.12 0.00 -1.14 -3.49 121.76 116.85 1mx7 s ALA 121 Ca -0.05 1.97 -0.05 0.00 0.00 0.00 0.00 51.96 53.83 1mx7 s ALA 121 Cb -0.01 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 21.01 1mx7 s ALA 121 CO -0.04 -1.02 0.92 -1.91 0.00 0.00 0.00 175.76 173.71 1mx7 n GLU 122 N 5.05 -6.18 -1.28 0.00 2.13 0.34 -2.67 120.64 118.03 1mx7 n GLU 122 Ca -0.08 0.68 -0.10 0.00 0.66 0.00 0.00 57.16 58.32 1mx7 n GLU 122 Cb 0.53 -5.27 -0.04 0.00 0.27 0.00 0.00 31.44 26.93 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 -1.53 1.01 3.51 8.31 0.00 -0.92 -4.96 105.19 110.62 1mx7 n GLY 123 Ca -0.07 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.04 4.50 -0.31 1.61 1.01 -1.09 -5.07 120.40 119.00 1mx7 s VAL 124 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1mx7 s VAL 124 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1mx7 s VAL 124 CO 0.00 0.37 0.48 -0.89 0.00 0.00 0.00 175.10 175.06 1mx7 s THR 125 N 1.22 5.07 -0.33 3.92 2.01 -1.26 -2.87 115.64 123.39 1mx7 s THR 125 Ca 0.05 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.59 1mx7 s THR 125 Cb -0.14 -3.87 0.08 0.00 0.01 0.00 0.00 72.50 68.58 1mx7 s THR 125 CO 0.04 -0.05 0.04 0.00 -0.69 0.00 0.00 174.62 173.96 1mx7 s LYS 127 N 1.10 2.79 -0.21 0.00 1.02 -1.26 -0.91 119.74 122.27 1mx7 s LYS 127 Ca 0.02 -0.82 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 1mx7 s LYS 127 Cb -0.20 -2.63 0.07 0.00 -0.52 0.00 0.00 37.83 34.54 1mx7 s LYS 127 CO -0.04 0.52 0.06 -0.65 -0.92 0.00 0.00 175.35 174.31 1mx7 s GLN 128 N -2.71 0.56 -0.19 1.68 -0.21 -1.10 -3.44 119.66 114.25 1mx7 s GLN 128 Ca 0.29 -0.48 -0.26 0.00 0.02 0.00 0.00 55.36 54.93 1mx7 s GLN 128 Cb -0.11 -1.99 -0.01 0.00 1.00 0.00 0.00 33.01 31.90 1mx7 s GLN 128 CO 0.22 -0.72 0.89 0.08 -2.12 0.00 0.00 175.29 173.64 1mx7 s VAL 129 N 1.88 4.82 0.13 1.09 1.01 -0.51 -3.35 120.40 125.48 1mx7 s VAL 129 Ca 0.02 1.74 0.01 0.00 0.00 0.00 0.00 61.98 63.75 1mx7 s VAL 129 Cb -0.17 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.03 1mx7 s VAL 129 CO -0.13 -0.04 0.08 0.49 0.00 0.00 0.00 175.10 175.50 1mx7 n PHE 130 N 5.58 -0.94 -3.67 5.22 3.72 -0.96 0.11 117.46 126.52 1mx7 n PHE 130 Ca 0.07 -0.58 -0.09 0.00 -0.05 0.00 0.00 57.45 56.79 1mx7 n PHE 130 Cb 0.48 -0.10 -0.10 0.00 -0.94 0.00 0.00 39.48 38.82 1mx7 n PHE 130 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1mx7 s LYS 131 N -2.53 0.33 -0.44 -1.08 2.47 -1.26 -4.25 119.74 112.98 1mx7 s LYS 131 Ca 0.06 0.97 -0.29 0.00 -1.56 0.00 0.00 55.97 55.15 1mx7 s LYS 131 Cb -0.00 0.23 0.02 0.00 -1.46 0.00 0.00 37.83 36.62 1mx7 s LYS 131 CO 0.04 -0.23 1.23 0.15 0.16 0.00 0.00 175.35 176.69 1mx7 s LYS 132 N 2.31 3.71 0.00 4.03 -0.14 -1.19 -3.57 119.74 124.89 1mx7 s LYS 132 Ca -0.04 0.75 0.22 0.00 -1.36 0.00 0.00 55.97 55.55 1mx7 s LYS 132 Cb -0.11 -3.93 0.11 0.00 -1.68 0.00 0.00 37.83 32.22 1mx7 s LYS 132 CO -0.13 -1.39 1.16 0.28 -0.76 0.00 0.00 175.35 174.51 1mx7 n VAL 133 N 6.81 0.00 -0.62 3.17 0.31 -1.25 -4.91 118.33 121.85 1mx7 n VAL 133 Ca 0.13 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1mx7 n VAL 133 Cb 0.48 1.39 0.00 0.00 -0.91 0.00 0.00 33.84 34.80 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08