#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx7 s VAL 2 N 0.00 4.40 -0.20 0.52 0.11 -1.26 -5.05 120.40 118.91 1mx7 s VAL 2 Ca 0.00 1.14 -0.14 0.00 -2.93 0.00 0.00 61.98 60.05 1mx7 s VAL 2 Cb 0.00 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 1mx7 s VAL 2 CO 0.00 -0.67 0.32 1.51 -3.33 0.00 0.00 175.10 172.94 1mx7 s ASP 3 N -3.04 6.36 0.00 3.54 -4.77 -1.26 -4.94 116.67 112.56 1mx7 s ASP 3 Ca 0.60 0.42 0.00 0.00 -3.30 0.00 0.00 52.55 50.26 1mx7 s ASP 3 Cb -0.11 -2.19 0.00 0.00 -1.09 0.00 0.00 42.92 39.53 1mx7 s ASP 3 CO 0.33 -0.01 0.00 0.49 0.70 0.00 0.00 175.17 176.68 1mx7 n PHE 4 N 4.25 0.00 -1.60 2.11 3.01 -1.26 -5.09 117.46 118.88 1mx7 n PHE 4 Ca -0.11 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 57.90 1mx7 n PHE 4 Cb 0.51 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.96 1mx7 n PHE 4 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1mx7 n ASN 5 N -2.01 1.51 0.00 4.37 5.15 -1.26 -4.83 115.26 118.19 1mx7 n ASN 5 Ca 0.00 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 1mx7 n ASN 5 Cb 0.28 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mx7 n GLY 6 N 1.53 -0.96 0.00 8.20 0.00 -1.26 -5.00 105.19 107.70 1mx7 n GLY 6 Ca 0.11 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1mx7 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mx7 n TYR 7 N 0.00 0.00 -4.09 1.61 4.02 -1.26 -4.82 117.16 112.61 1mx7 n TYR 7 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1mx7 n TYR 7 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1mx7 n TYR 7 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 1mx7 n TRP 8 N -0.08 -1.36 0.00 -0.72 4.27 -1.26 -3.88 117.44 114.42 1mx7 n TRP 8 Ca 0.00 -2.41 0.00 0.00 -3.89 0.00 0.00 57.50 51.20 1mx7 n TRP 8 Cb 0.00 0.52 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 1mx7 n TRP 8 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1mx7 n LYS 9 N -0.58 0.00 -1.92 -2.67 2.85 -1.26 -4.77 118.16 109.80 1mx7 n LYS 9 Ca 0.02 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.91 1mx7 n LYS 9 Cb 0.59 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 35.01 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 0.00 3.03 -0.00 -1.58 0.23 -1.26 -3.02 119.30 116.70 1mx7 s MET 10 Ca 0.00 1.99 0.07 0.00 -1.03 0.00 0.00 55.69 56.72 1mx7 s MET 10 Cb 0.00 -2.06 -0.08 0.00 -1.53 0.00 0.00 34.83 31.16 1mx7 s MET 10 CO 0.00 -1.20 0.29 1.28 -2.03 0.00 0.00 175.02 173.36 1mx7 n LEU 11 N -1.36 0.31 -3.65 0.18 4.32 -0.87 -4.93 117.00 110.99 1mx7 n LEU 11 Ca 0.12 -0.45 -0.01 0.00 -0.02 0.00 0.00 56.01 55.65 1mx7 n LEU 11 Cb 0.48 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.27 1mx7 n LEU 11 CO 0.48 0.08 0.92 -0.55 -1.22 0.00 0.00 177.39 177.09 1mx7 s SER 12 N -1.78 -0.13 -0.30 -1.43 0.15 -1.25 -4.93 113.70 104.03 1mx7 s SER 12 Ca 0.02 -0.20 -0.13 0.00 0.70 0.00 0.00 55.95 56.34 1mx7 s SER 12 Cb 0.05 0.28 0.13 0.00 -1.71 0.00 0.00 66.02 64.78 1mx7 s SER 12 CO 0.29 -0.51 0.79 0.21 1.20 0.00 0.00 173.24 175.22 1mx7 s ASN 13 N -2.85 -0.89 0.46 5.45 3.84 -1.26 -3.38 114.94 116.32 1mx7 s ASN 13 Ca 0.12 1.27 0.03 0.00 0.21 0.00 0.00 52.86 54.49 1mx7 s ASN 13 Cb 0.02 1.84 -0.02 0.00 -0.55 0.00 0.00 41.25 42.54 1mx7 s ASN 13 CO -0.02 -0.18 0.07 -1.83 -2.79 0.00 0.00 177.10 172.34 1mx7 s GLU 14 N 2.37 2.05 -0.48 0.43 -1.05 -1.06 -4.81 118.70 116.16 1mx7 s GLU 14 Ca -0.06 -2.28 -0.06 0.00 -0.15 0.00 0.00 54.97 52.42 1mx7 s GLU 14 Cb -0.08 -1.05 0.06 0.00 -0.44 0.00 0.00 34.13 32.62 1mx7 s GLU 14 CO -0.18 -0.42 0.15 0.09 0.95 0.00 0.00 175.26 175.85 1mx7 n ASN 15 N -1.29 -0.92 -0.11 0.83 3.02 -1.26 -4.28 115.26 111.25 1mx7 n ASN 15 Ca -0.12 -0.09 -0.12 0.00 -0.03 0.00 0.00 54.58 54.22 1mx7 n ASN 15 Cb 0.66 -0.86 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.22 0.82 -0.13 3.10 3.57 -1.96 -1.18 116.94 120.94 1mx7 h PHE 16 Ca -0.15 -0.21 -0.15 0.00 3.53 0.00 0.00 57.97 60.99 1mx7 h PHE 16 Cb 0.81 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1mx7 h PHE 16 CO 0.59 0.92 -0.55 0.93 -2.23 0.00 0.00 178.31 177.97 1mx7 h GLU 17 N 0.49 0.40 -0.04 1.11 5.08 -1.88 -1.05 114.58 118.69 1mx7 h GLU 17 Ca 0.07 -0.25 -0.19 0.00 -1.00 0.00 0.00 59.36 57.99 1mx7 h GLU 17 Cb 0.71 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1mx7 h GLU 17 CO 0.05 0.85 -0.81 0.93 -1.00 0.00 0.00 179.01 179.03 1mx7 h GLU 18 N 0.31 0.34 0.00 2.33 5.08 -1.95 -2.58 114.58 118.10 1mx7 h GLU 18 Ca 0.00 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 1mx7 h GLU 18 Cb 1.06 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1mx7 h GLU 18 CO 0.09 0.98 -0.38 -0.92 -1.00 0.00 0.00 179.01 177.78 1mx7 h TYR 19 N 0.21 0.00 0.00 4.33 3.20 -1.04 -2.76 116.97 120.92 1mx7 h TYR 19 Ca -0.04 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.71 1mx7 h TYR 19 Cb 1.40 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.66 1mx7 h TYR 19 CO 0.04 0.38 -0.53 -0.07 -1.64 0.00 0.00 178.16 176.34 1mx7 h LEU 20 N 0.00 0.00 -0.13 2.82 3.38 -0.96 -3.15 115.31 117.27 1mx7 h LEU 20 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1mx7 h LEU 20 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1mx7 h LEU 20 CO 0.05 0.53 -0.04 -0.09 0.09 0.00 0.00 178.44 178.98 1mx7 h ARG 21 N 0.00 0.00 -0.47 1.13 9.65 -1.19 -3.13 114.38 120.37 1mx7 h ARG 21 Ca -0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1mx7 h ARG 21 Cb 1.36 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.92 1mx7 h ARG 21 CO 0.07 0.04 0.21 0.00 2.80 0.00 0.00 179.97 183.09 1mx7 h ALA 22 N 1.96 0.61 0.00 2.80 0.00 -1.45 -2.87 119.26 120.31 1mx7 h ALA 22 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1mx7 h ALA 22 Cb 0.98 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1mx7 h ALA 22 CO 0.00 0.18 -0.62 -0.07 0.00 0.00 0.00 179.25 178.75 1mx7 h LEU 23 N 0.61 0.00 -2.83 0.00 4.07 -1.71 -3.47 115.31 111.98 1mx7 h LEU 23 Ca 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1mx7 h LEU 23 Cb 0.14 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.90 1mx7 h LEU 23 CO -0.02 0.16 -0.05 -0.67 -1.08 0.00 0.00 178.44 176.77 1mx7 n ASP 24 N -2.94 -3.54 -4.04 -0.43 -0.08 -1.08 -5.01 116.55 99.43 1mx7 n ASP 24 Ca 0.00 -0.06 -0.14 0.00 -1.51 0.00 0.00 54.79 53.08 1mx7 n ASP 24 Cb 0.61 -2.11 0.06 0.00 2.34 0.00 0.00 41.12 42.02 1mx7 n ASP 24 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1mx7 n VAL 25 N -1.39 0.00 -1.86 5.18 0.24 -1.19 -5.02 118.33 114.29 1mx7 n VAL 25 Ca -0.00 -1.32 -0.42 0.00 -2.04 0.00 0.00 64.34 60.55 1mx7 n VAL 25 Cb 0.51 -0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 32.12 1mx7 n VAL 25 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1mx7 s ASN 26 N -3.63 6.49 0.40 -1.34 -0.87 -1.26 -4.92 114.94 109.80 1mx7 s ASN 26 Ca 0.44 2.81 0.10 0.00 -1.57 0.00 0.00 52.86 54.64 1mx7 s ASN 26 Cb -0.03 -2.62 0.85 0.00 -0.02 0.00 0.00 41.25 39.42 1mx7 s ASN 26 CO 0.28 -0.85 1.95 -0.37 -2.57 0.00 0.00 177.10 175.54 1mx7 h VAL 27 N 3.59 1.16 -0.00 1.60 -1.51 -1.98 -2.52 116.25 116.59 1mx7 h VAL 27 Ca -0.45 -0.68 -0.15 0.00 -1.23 0.00 0.00 66.70 64.19 1mx7 h VAL 27 Cb 1.21 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 1mx7 h VAL 27 CO 0.83 0.21 -0.71 0.00 -1.23 0.00 0.00 177.57 176.67 1mx7 h ALA 28 N 1.70 0.82 0.00 5.19 0.00 -2.03 -2.97 119.26 121.97 1mx7 h ALA 28 Ca 0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1mx7 h ALA 28 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1mx7 h ALA 28 CO 0.02 0.88 -0.14 1.25 0.00 0.00 0.00 179.25 181.26 1mx7 h LEU 29 N 0.01 0.00 -0.75 0.00 5.85 -1.84 -3.15 115.31 115.43 1mx7 h LEU 29 Ca -0.01 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1mx7 h LEU 29 Cb 1.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1mx7 h LEU 29 CO 0.09 0.14 -0.60 -0.09 -0.34 0.00 0.00 178.44 177.64 1mx7 h ARG 30 N 0.00 0.09 -0.10 1.25 2.43 -1.33 -2.98 114.38 113.74 1mx7 h ARG 30 Ca -0.00 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 58.88 1mx7 h ARG 30 Cb 0.79 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1mx7 h ARG 30 CO 0.02 0.66 -0.85 -0.22 -1.51 0.00 0.00 179.97 178.07 1mx7 h LYS 31 N 0.07 0.71 -0.07 0.20 3.64 -1.64 -3.10 116.57 116.37 1mx7 h LYS 31 Ca -0.01 -0.63 -0.16 0.00 -1.27 0.00 0.00 60.65 58.59 1mx7 h LYS 31 Cb 1.08 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1mx7 h LYS 31 CO 0.08 1.23 -0.65 0.82 -2.27 0.00 0.00 179.45 178.67 1mx7 h ILE 32 N 0.46 1.40 -0.12 2.00 1.08 -1.67 -3.18 117.51 117.47 1mx7 h ILE 32 Ca -0.07 -2.07 -0.12 0.00 -0.39 0.00 0.00 64.86 62.21 1mx7 h ILE 32 Cb 1.48 2.06 -0.01 0.00 -3.07 0.00 0.00 36.82 37.28 1mx7 h ILE 32 CO 0.17 0.61 -0.46 0.00 -0.69 0.00 0.00 178.15 177.79 1mx7 h ALA 33 N 1.12 1.00 0.00 1.87 0.00 -1.59 -2.79 119.26 118.87 1mx7 h ALA 33 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1mx7 h ALA 33 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1mx7 h ALA 33 CO 0.10 0.63 0.00 -1.71 0.00 0.00 0.00 179.25 178.28 1mx7 n ASN 34 N -3.99 0.51 0.05 0.00 2.85 -1.17 -0.97 115.26 112.54 1mx7 n ASN 34 Ca -0.02 0.73 0.11 0.00 -0.11 0.00 0.00 54.58 55.30 1mx7 n ASN 34 Cb 0.52 -0.80 -0.04 0.00 1.24 0.00 0.00 39.78 40.70 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 -2.18 0.55 -4.77 1.20 4.77 -1.05 -4.87 117.00 110.65 1mx7 n LEU 35 Ca -0.01 0.15 -0.38 0.00 -0.03 0.00 0.00 56.01 55.74 1mx7 n LEU 35 Cb 0.03 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1mx7 n LEU 35 CO 0.09 -0.08 0.19 -0.22 -1.33 0.00 0.00 177.39 176.04 1mx7 s LEU 36 N -4.76 4.38 -0.30 2.23 0.20 -0.14 -5.06 118.68 115.23 1mx7 s LEU 36 Ca -0.01 0.97 0.02 0.00 0.69 0.00 0.00 54.13 55.80 1mx7 s LEU 36 Cb 0.12 -2.74 0.08 0.00 -0.43 0.00 0.00 46.19 43.23 1mx7 s LEU 36 CO 0.83 0.13 0.01 -0.54 -0.29 0.00 0.00 176.35 176.48 1mx7 s LYS 37 N -0.12 1.51 0.32 1.98 1.02 -1.26 -4.95 119.74 118.23 1mx7 s LYS 37 Ca 0.27 -1.45 -0.29 0.00 0.02 0.00 0.00 55.97 54.51 1mx7 s LYS 37 Cb -0.17 -2.81 -0.11 0.00 -0.52 0.00 0.00 37.83 34.22 1mx7 s LYS 37 CO 0.13 -0.81 1.56 -2.14 -0.92 0.00 0.00 175.35 173.17 1mx7 s PRO 38 N 1.17 4.12 0.50 -1.68 0.02 -1.26 -4.92 135.00 132.96 1mx7 s PRO 38 Ca 0.04 2.57 0.09 0.00 0.02 0.00 0.00 61.00 63.71 1mx7 s PRO 38 Cb -0.19 -3.01 0.05 0.00 0.02 0.00 0.00 34.50 31.37 1mx7 s PRO 38 CO -0.10 -0.59 0.69 0.16 -0.33 0.00 0.00 177.00 176.82 1mx7 s ASP 39 N 0.29 5.35 -0.30 2.53 -4.77 -1.26 -4.64 116.67 113.87 1mx7 s ASP 39 Ca 0.60 -0.66 -0.13 0.00 -3.30 0.00 0.00 52.55 49.06 1mx7 s ASP 39 Cb -0.47 -0.14 0.16 0.00 -1.09 0.00 0.00 42.92 41.38 1mx7 s ASP 39 CO 0.52 -1.08 0.91 -1.59 0.70 0.00 0.00 175.17 174.64 1mx7 s LYS 40 N -4.52 0.35 -0.12 2.11 -2.85 -1.26 -3.62 119.74 109.83 1mx7 s LYS 40 Ca 0.59 0.87 -0.05 0.00 -1.00 0.00 0.00 55.97 56.37 1mx7 s LYS 40 Cb -0.08 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1mx7 s LYS 40 CO 0.36 -0.15 0.06 -2.00 0.10 0.00 0.00 175.35 173.73 1mx7 s GLU 41 N 2.58 3.38 0.16 1.78 2.12 -0.88 -4.25 118.70 123.60 1mx7 s GLU 41 Ca -0.02 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.09 1mx7 s GLU 41 Cb -0.08 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1mx7 s GLU 41 CO -0.18 0.63 -0.06 0.42 -0.54 0.00 0.00 175.26 175.53 1mx7 s ILE 42 N -0.64 3.44 -0.13 -3.70 1.01 -1.26 -0.92 121.20 119.00 1mx7 s ILE 42 Ca 0.11 -1.46 -0.06 0.00 0.00 0.00 0.00 60.65 59.25 1mx7 s ILE 42 Cb -0.12 -2.69 0.06 0.00 0.01 0.00 0.00 42.46 39.72 1mx7 s ILE 42 CO 0.02 -0.05 0.29 -0.69 0.00 0.00 0.00 174.94 174.51 1mx7 s VAL 43 N -1.58 -0.19 -0.17 2.92 1.01 -0.57 -4.13 120.40 117.68 1mx7 s VAL 43 Ca 0.25 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1mx7 s VAL 43 Cb -0.10 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.88 1mx7 s VAL 43 CO 0.16 0.08 -0.01 -1.10 0.00 0.00 0.00 175.10 174.23 1mx7 s GLN 44 N 1.72 1.02 -0.00 2.72 -1.52 -1.26 -2.12 119.66 120.22 1mx7 s GLN 44 Ca -0.06 -0.43 0.16 0.00 -1.95 0.00 0.00 55.36 53.09 1mx7 s GLN 44 Cb -0.11 -1.95 -0.19 0.00 -0.22 0.00 0.00 33.01 30.54 1mx7 s GLN 44 CO -0.09 -0.51 0.63 -0.25 -0.25 0.00 0.00 175.29 174.82 1mx7 n ASP 45 N 4.96 0.84 0.00 5.90 8.00 -1.24 -4.91 116.55 130.10 1mx7 n ASP 45 Ca -0.10 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1mx7 n ASP 45 Cb 0.47 1.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.71 1mx7 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mx7 n GLY 46 N 1.41 -0.46 0.04 0.44 0.00 -1.26 -4.90 105.19 100.46 1mx7 n GLY 46 Ca 0.02 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 0.30 -4.58 1.61 8.00 -1.26 -4.67 116.55 115.95 1mx7 n ASP 47 Ca 0.00 -0.09 -0.40 0.00 0.71 0.00 0.00 54.79 55.01 1mx7 n ASP 47 Cb 0.00 -0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 1mx7 n ASP 47 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1mx7 s HIS 48 N -2.81 3.23 -0.14 1.24 2.46 -1.26 -1.56 115.29 116.43 1mx7 s HIS 48 Ca 0.18 0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.96 1mx7 s HIS 48 Cb 0.19 -2.64 -0.01 0.00 -0.13 0.00 0.00 32.58 30.00 1mx7 s HIS 48 CO 0.56 -0.32 -0.14 1.41 -2.47 0.00 0.00 174.74 173.77 1mx7 s MET 49 N 2.08 3.28 0.03 2.88 1.75 -0.10 -3.72 119.30 125.51 1mx7 s MET 49 Ca 0.14 -0.73 0.05 0.00 -1.25 0.00 0.00 55.69 53.91 1mx7 s MET 49 Cb -0.16 -2.63 -0.03 0.00 2.84 0.00 0.00 34.83 34.85 1mx7 s MET 49 CO 0.11 0.10 -0.12 0.42 -0.65 0.00 0.00 175.02 174.87 1mx7 s ILE 50 N 0.63 3.23 -0.13 10.11 1.01 -0.90 -0.01 121.20 135.13 1mx7 s ILE 50 Ca -0.08 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.52 1mx7 s ILE 50 Cb -0.16 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.96 1mx7 s ILE 50 CO 0.03 0.33 0.04 -0.63 0.00 0.00 0.00 174.94 174.71 1mx7 s ILE 51 N -0.99 0.26 -1.03 2.92 1.01 -1.26 -1.52 121.20 120.59 1mx7 s ILE 51 Ca 0.17 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 1mx7 s ILE 51 Cb -0.11 -0.67 0.21 0.00 0.01 0.00 0.00 42.46 41.90 1mx7 s ILE 51 CO 0.07 -0.04 1.10 -0.13 0.00 0.00 0.00 174.94 175.94 1mx7 s ARG 52 N 1.99 3.93 -0.33 2.79 3.00 -0.10 -3.38 118.95 126.85 1mx7 s ARG 52 Ca 0.02 -2.64 -0.21 0.00 0.00 0.00 0.00 55.73 52.89 1mx7 s ARG 52 Cb -0.15 -4.70 -0.00 0.00 0.00 0.00 0.00 34.95 30.10 1mx7 s ARG 52 CO -0.07 -1.46 0.69 0.99 0.00 0.00 0.00 175.30 175.45 1mx7 s THR 53 N 0.39 4.86 -0.72 0.02 2.01 -1.24 -2.07 115.64 118.90 1mx7 s THR 53 Ca 0.31 0.83 0.04 0.00 0.31 0.00 0.00 61.69 63.17 1mx7 s THR 53 Cb -0.07 -4.09 0.23 0.00 0.01 0.00 0.00 72.50 68.58 1mx7 s THR 53 CO -0.07 -0.27 0.74 0.18 -0.69 0.00 0.00 174.62 174.52 1mx7 n LEU 54 N 6.09 3.83 -4.56 4.42 4.77 -1.24 -2.39 117.00 127.92 1mx7 n LEU 54 Ca 0.00 -5.34 -0.39 0.00 -0.03 0.00 0.00 56.01 50.26 1mx7 n LEU 54 Cb 0.49 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1mx7 n LEU 54 CO 0.49 1.90 1.63 -0.44 -1.33 0.00 0.00 177.39 179.63 1mx7 s SER 55 N -1.93 5.28 -0.60 -1.43 0.01 -1.25 -4.34 113.70 109.44 1mx7 s SER 55 Ca 0.34 0.49 -0.26 0.00 1.31 0.00 0.00 55.95 57.83 1mx7 s SER 55 Cb 0.07 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.68 1mx7 s SER 55 CO -0.06 -2.34 2.41 0.28 0.41 0.00 0.00 173.24 173.95 1mx7 s THR 56 N 9.05 3.01 0.00 1.44 -1.32 -1.26 -0.55 115.64 126.00 1mx7 s THR 56 Ca 0.70 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.18 1mx7 s THR 56 Cb -0.14 -3.02 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 1mx7 s THR 56 CO 0.22 -0.02 0.00 0.49 -2.21 0.00 0.00 174.62 173.11 1mx7 n PHE 57 N 16.97 0.00 -3.49 9.09 3.01 -1.26 -5.02 117.46 136.76 1mx7 n PHE 57 Ca 0.40 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.65 1mx7 n PHE 57 Cb 0.51 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.85 1mx7 n PHE 57 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1mx7 s ARG 58 N 0.00 0.21 0.10 -1.08 0.52 0.28 -5.13 118.95 113.86 1mx7 s ARG 58 Ca 0.00 -0.07 -0.31 0.00 -0.52 0.00 0.00 55.73 54.83 1mx7 s ARG 58 Cb 0.00 -1.11 -0.09 0.00 0.52 0.00 0.00 34.95 34.27 1mx7 s ARG 58 CO 0.00 -0.84 1.72 0.54 0.02 0.00 0.00 175.30 176.75 1mx7 s ASN 59 N 2.27 6.53 -0.19 0.23 2.20 -1.26 -3.89 114.94 120.83 1mx7 s ASN 59 Ca 0.08 2.61 -0.04 0.00 -0.94 0.00 0.00 52.86 54.56 1mx7 s ASN 59 Cb -0.15 -2.57 -0.02 0.00 -2.00 0.00 0.00 41.25 36.51 1mx7 s ASN 59 CO -0.23 -0.93 -0.02 -0.47 -2.94 0.00 0.00 177.10 172.51 1mx7 s TYR 60 N 2.61 3.03 -0.05 1.54 5.04 -1.01 -5.01 117.35 123.49 1mx7 s TYR 60 Ca 0.77 -0.45 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 1mx7 s TYR 60 Cb -0.43 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 39.86 1mx7 s TYR 60 CO 0.34 -0.20 -0.07 0.42 -1.34 0.00 0.00 175.55 174.70 1mx7 s ILE 61 N 0.84 0.70 0.18 3.14 1.01 -1.26 -3.59 121.20 122.22 1mx7 s ILE 61 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1mx7 s ILE 61 Cb -0.14 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 1mx7 s ILE 61 CO 0.02 0.26 -0.01 -0.04 0.00 0.00 0.00 174.94 175.17 1mx7 s MET 62 N 0.86 1.15 -0.50 2.79 -1.94 -1.22 -5.08 119.30 115.36 1mx7 s MET 62 Ca -0.12 -1.55 0.07 0.00 -1.71 0.00 0.00 55.69 52.37 1mx7 s MET 62 Cb -0.15 -0.35 0.20 0.00 2.01 0.00 0.00 34.83 36.55 1mx7 s MET 62 CO 0.01 -0.11 0.73 -3.47 -0.01 0.00 0.00 175.02 172.17 1mx7 n ASP 63 N -0.27 -2.96 -4.08 3.03 2.03 -1.26 -4.00 116.55 109.04 1mx7 n ASP 63 Ca -0.06 -2.96 -0.20 0.00 0.52 0.00 0.00 54.79 52.09 1mx7 n ASP 63 Cb 0.63 1.50 0.10 0.00 -0.72 0.00 0.00 41.12 42.64 1mx7 n ASP 63 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1mx7 n PHE 64 N 2.56 -3.08 -4.26 -0.67 3.72 0.98 -4.95 117.46 111.76 1mx7 n PHE 64 Ca 0.17 -1.43 -0.18 0.00 -0.05 0.00 0.00 57.45 55.96 1mx7 n PHE 64 Cb 0.57 -0.62 -0.13 0.00 -0.94 0.00 0.00 39.48 38.35 1mx7 n PHE 64 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1mx7 s GLN 65 N -4.70 0.74 -1.13 -1.08 0.74 -1.26 -0.92 119.66 112.05 1mx7 s GLN 65 Ca 0.56 -0.61 -0.20 0.00 0.05 0.00 0.00 55.36 55.15 1mx7 s GLN 65 Cb -0.03 -0.68 0.08 0.00 1.10 0.00 0.00 33.01 33.47 1mx7 s GLN 65 CO 0.37 0.17 1.53 0.08 -0.55 0.00 0.00 175.29 176.88 1mx7 s VAL 66 N -0.77 4.17 0.00 1.34 1.01 -0.60 -4.04 120.40 121.50 1mx7 s VAL 66 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1mx7 s VAL 66 Cb -0.07 -5.07 0.00 0.00 0.00 0.00 0.00 36.38 31.24 1mx7 s VAL 66 CO 0.01 -1.90 0.00 0.61 0.00 0.00 0.00 175.10 173.81 1mx7 n GLY 67 N 5.96 0.69 3.55 4.51 0.00 -0.72 -4.93 105.19 114.26 1mx7 n GLY 67 Ca 0.38 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.28 0.73 -0.13 1.61 2.20 -1.20 -5.03 119.74 117.64 1mx7 s LYS 68 Ca 0.00 0.93 -0.29 0.00 -0.36 0.00 0.00 55.97 56.25 1mx7 s LYS 68 Cb 0.00 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1mx7 s LYS 68 CO 0.00 -0.10 1.10 -2.00 -0.36 0.00 0.00 175.35 173.99 1mx7 s GLU 69 N 0.53 4.33 0.55 4.03 2.12 -1.26 -3.76 118.70 125.24 1mx7 s GLU 69 Ca -0.02 1.49 0.07 0.00 0.36 0.00 0.00 54.97 56.88 1mx7 s GLU 69 Cb -0.05 -3.60 0.05 0.00 0.26 0.00 0.00 34.13 30.79 1mx7 s GLU 69 CO -0.02 -0.49 0.52 -0.06 -0.54 0.00 0.00 175.26 174.68 1mx7 s PHE 70 N 2.59 1.62 -0.43 5.30 0.40 0.10 -5.00 117.98 122.57 1mx7 s PHE 70 Ca 0.50 -0.78 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1mx7 s PHE 70 Cb -0.19 -2.02 0.17 0.00 0.51 0.00 0.00 43.02 41.48 1mx7 s PHE 70 CO 0.15 -0.67 0.43 -2.00 0.70 0.00 0.00 175.22 173.84 1mx7 s GLU 71 N -4.39 0.89 0.27 0.44 2.12 -1.26 -2.48 118.70 114.29 1mx7 s GLU 71 Ca 0.44 -1.66 -0.30 0.00 0.36 0.00 0.00 54.97 53.81 1mx7 s GLU 71 Cb -0.03 -0.99 -0.09 0.00 0.26 0.00 0.00 34.13 33.27 1mx7 s GLU 71 CO 0.27 -1.34 1.07 -1.21 -0.54 0.00 0.00 175.26 173.51 1mx7 s GLU 72 N 0.48 4.68 -0.81 4.30 2.02 -1.24 -4.87 118.70 123.25 1mx7 s GLU 72 Ca 0.29 1.75 0.02 0.00 0.02 0.00 0.00 54.97 57.05 1mx7 s GLU 72 Cb -0.01 -3.21 0.27 0.00 0.10 0.00 0.00 34.13 31.28 1mx7 s GLU 72 CO -0.13 0.27 1.01 -0.25 0.02 0.00 0.00 175.26 176.17 1mx7 n ASP 73 N 1.24 4.73 -4.72 -0.19 8.00 -1.26 -0.90 116.55 123.46 1mx7 n ASP 73 Ca -0.01 -3.41 -0.42 0.00 0.71 0.00 0.00 54.79 51.65 1mx7 n ASP 73 Cb 0.45 -0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1mx7 n ASP 73 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1mx7 s LEU 74 N -2.51 4.37 -0.44 0.64 1.98 -1.09 -4.92 118.68 116.71 1mx7 s LEU 74 Ca 0.36 2.54 0.09 0.00 -2.89 0.00 0.00 54.13 54.22 1mx7 s LEU 74 Cb 0.10 -3.59 0.29 0.00 0.66 0.00 0.00 46.19 43.65 1mx7 s LEU 74 CO 0.02 -0.78 0.66 0.35 -1.89 0.00 0.00 176.35 174.72 1mx7 n THR 75 N 3.97 0.28 -3.72 3.68 -2.24 -1.26 -1.75 114.28 113.24 1mx7 n THR 75 Ca 0.13 -4.53 -0.08 0.00 -2.27 0.00 0.00 64.05 57.30 1mx7 n THR 75 Cb 0.40 -1.37 0.02 0.00 -2.10 0.00 0.00 70.33 67.28 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 0.80 1.13 5.66 3.38 0.00 -1.26 -4.96 105.19 109.94 1mx7 n GLY 76 Ca 0.25 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1mx7 n GLY 76 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1mx7 n ILE 77 N -0.48 0.00 0.00 -0.61 -0.00 -1.26 0.15 119.36 117.16 1mx7 n ILE 77 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.58 1mx7 n ILE 77 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 39.64 40.04 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1mx7 h ASP 78 N 0.00 0.06 -3.17 7.28 1.82 -1.95 -3.46 116.42 117.01 1mx7 h ASP 78 Ca 0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1mx7 h ASP 78 Cb 0.00 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1mx7 h ASP 78 CO 0.00 1.10 -0.10 -0.67 -1.61 0.00 0.00 179.24 177.95 1mx7 n ASP 79 N -3.16 -2.78 0.00 2.28 -0.08 0.40 -4.99 116.55 108.22 1mx7 n ASP 79 Ca -0.15 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1mx7 n ASP 79 Cb 1.03 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 43.05 1mx7 n ASP 79 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1mx7 n ARG 80 N 0.20 0.00 -3.87 -0.67 1.74 -0.71 -4.97 116.66 108.37 1mx7 n ARG 80 Ca 0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 1mx7 n ARG 80 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 1mx7 n ARG 80 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1mx7 s LYS 81 N -2.00 2.59 0.19 5.56 -2.85 -1.26 -2.67 119.74 119.29 1mx7 s LYS 81 Ca 0.00 -1.41 0.03 0.00 -1.00 0.00 0.00 55.97 53.59 1mx7 s LYS 81 Cb 0.00 -2.36 -0.01 0.00 -2.06 0.00 0.00 37.83 33.39 1mx7 s LYS 81 CO 0.00 0.06 0.11 0.00 0.10 0.00 0.00 175.35 175.61 1mx7 n MET 83 N -0.39 1.41 -1.30 0.00 2.81 -1.21 -3.69 117.12 114.76 1mx7 n MET 83 Ca 0.00 -2.83 -0.39 0.00 -1.81 0.00 0.00 57.70 52.67 1mx7 n MET 83 Cb 0.30 -0.96 0.02 0.00 -0.71 0.00 0.00 33.22 31.87 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 -0.58 0.53 -3.59 2.03 -1.04 -1.03 -4.09 114.28 106.50 1mx7 n THR 84 Ca 0.02 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.26 1mx7 n THR 84 Cb 0.83 -0.16 -0.16 0.00 -1.82 0.00 0.00 70.33 69.02 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 -1.94 0.02 -0.49 12.58 2.01 -0.33 0.00 115.64 127.49 1mx7 s THR 85 Ca 0.60 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.82 1mx7 s THR 85 Cb -0.48 -0.87 0.04 0.00 0.01 0.00 0.00 72.50 71.20 1mx7 s THR 85 CO 0.63 -0.53 0.71 0.68 -0.69 0.00 0.00 174.62 175.43 1mx7 s VAL 86 N 2.07 4.74 -0.01 3.82 -7.23 -1.25 -2.83 120.40 119.72 1mx7 s VAL 86 Ca 0.06 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1mx7 s VAL 86 Cb -0.16 -4.33 0.01 0.00 0.56 0.00 0.00 36.38 32.46 1mx7 s VAL 86 CO -0.24 -0.81 0.01 -0.94 -0.31 0.00 0.00 175.10 172.81 1mx7 s SER 87 N 2.51 0.04 -0.28 4.85 1.04 -0.96 -1.75 113.70 119.15 1mx7 s SER 87 Ca 0.21 0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.38 1mx7 s SER 87 Cb -0.16 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 1mx7 s SER 87 CO 0.16 -0.06 1.89 -1.66 0.98 0.00 0.00 173.24 174.55 1mx7 s TRP 88 N 0.49 1.66 -0.18 5.02 -2.14 -1.26 -3.09 118.94 119.44 1mx7 s TRP 88 Ca -0.04 0.56 0.17 0.00 2.66 0.00 0.00 56.10 59.45 1mx7 s TRP 88 Cb -0.06 -4.07 0.01 0.00 -3.10 0.00 0.00 33.47 26.25 1mx7 s TRP 88 CO -0.01 -3.32 1.19 0.22 -2.66 0.00 0.00 176.95 172.36 1mx7 h ASP 89 N 13.13 0.00 0.00 -2.66 3.58 -1.91 -3.45 116.42 125.11 1mx7 h ASP 89 Ca -0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1mx7 h ASP 89 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1mx7 h ASP 89 CO 1.01 0.41 0.00 0.61 -2.88 0.00 0.00 179.24 178.39 1mx7 n GLY 90 N 1.27 -0.58 3.36 -0.78 0.00 -1.26 -4.91 105.19 102.29 1mx7 n GLY 90 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 -4.53 1.61 8.00 -1.26 -4.93 116.55 115.43 1mx7 n ASP 91 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1mx7 n ASP 91 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1mx7 n ASP 91 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1mx7 n LYS 92 N 0.00 1.21 -1.95 -1.24 4.81 -1.26 -4.77 118.16 114.96 1mx7 n LYS 92 Ca 0.00 0.22 -0.37 0.00 -0.87 0.00 0.00 58.31 57.29 1mx7 n LYS 92 Cb 0.00 -2.97 -0.03 0.00 0.02 0.00 0.00 35.03 32.05 1mx7 n LYS 92 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1mx7 s LEU 93 N 9.65 3.30 -0.38 3.14 2.96 0.75 -3.37 118.68 134.73 1mx7 s LEU 93 Ca 1.05 0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 55.16 1mx7 s LEU 93 Cb -0.49 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 43.69 1mx7 s LEU 93 CO 0.36 -2.50 0.75 -1.58 -1.32 0.00 0.00 176.35 172.06 1mx7 s GLN 94 N 7.28 3.67 -0.53 1.98 0.74 -1.18 -1.56 119.66 130.06 1mx7 s GLN 94 Ca 0.73 0.17 -0.11 0.00 0.05 0.00 0.00 55.36 56.20 1mx7 s GLN 94 Cb -0.13 -3.83 0.13 0.00 1.10 0.00 0.00 33.01 30.28 1mx7 s GLN 94 CO 0.21 -0.87 0.43 0.00 -0.55 0.00 0.00 175.29 174.50 1mx7 s VAL 96 N 1.21 3.98 -0.24 0.00 1.01 -1.13 -2.65 120.40 122.57 1mx7 s VAL 96 Ca 0.07 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1mx7 s VAL 96 Cb -0.25 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1mx7 s VAL 96 CO -0.01 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.29 1mx7 s GLN 97 N 1.53 3.31 -0.17 2.72 -2.07 -1.26 -1.19 119.66 122.53 1mx7 s GLN 97 Ca 0.04 -0.68 -0.29 0.00 -1.82 0.00 0.00 55.36 52.60 1mx7 s GLN 97 Cb -0.16 -3.14 -0.02 0.00 -1.09 0.00 0.00 33.01 28.60 1mx7 s GLN 97 CO 0.02 -0.27 1.30 0.15 -1.32 0.00 0.00 175.29 175.17 1mx7 s LYS 98 N 1.49 4.20 0.00 9.60 1.02 -1.26 -4.76 119.74 130.03 1mx7 s LYS 98 Ca 0.05 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.70 1mx7 s LYS 98 Cb -0.15 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.36 1mx7 s LYS 98 CO -0.01 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 1mx7 n GLY 99 N 3.72 1.36 0.85 -3.33 0.00 -1.26 -3.31 105.19 103.23 1mx7 n GLY 99 Ca 0.14 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 1mx7 n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1mx7 n GLU 100 N 0.00 -0.13 0.00 1.61 0.00 -1.26 -4.95 120.64 115.91 1mx7 n GLU 100 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 57.16 56.68 1mx7 n GLU 100 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 31.44 31.17 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1mx7 n LYS 101 N -1.58 0.00 0.00 3.44 3.00 -1.26 -4.73 118.16 117.03 1mx7 n LYS 101 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1mx7 n LYS 101 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.16 1mx7 n LYS 101 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1mx7 n GLU 102 N 0.00 0.00 -0.05 1.64 1.02 -1.26 -4.90 120.64 117.09 1mx7 n GLU 102 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1mx7 n GLU 102 Cb 0.00 -0.53 0.21 0.00 -0.02 0.00 0.00 31.44 31.11 1mx7 n GLU 102 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mx7 n GLY 103 N 1.86 0.94 3.65 0.62 0.00 -1.26 -4.83 105.19 106.17 1mx7 n GLY 103 Ca 0.00 -0.64 -0.48 0.00 0.00 0.00 0.00 46.02 44.90 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 1.12 1.84 0.00 1.61 1.74 -1.26 -3.26 116.66 118.45 1mx7 n ARG 104 Ca 0.16 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 1mx7 n ARG 104 Cb 0.54 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 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 3.18 4.33 0.00 -0.13 0.00 -1.19 -4.58 105.19 106.80 1mx7 n GLY 105 Ca 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.49 -1.31 -3.64 1.61 8.01 -1.08 -3.27 117.44 117.26 1mx7 n TRP 106 Ca 0.00 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.11 1mx7 n TRP 106 Cb 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.23 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 0.01 0.00 -0.48 -0.99 2.01 -1.22 -3.47 115.64 111.49 1mx7 s THR 107 Ca 0.00 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1mx7 s THR 107 Cb 0.00 -1.00 0.13 0.00 0.01 0.00 0.00 72.50 71.64 1mx7 s THR 107 CO 0.00 0.00 0.25 -1.58 -0.69 0.00 0.00 174.62 172.60 1mx7 s GLN 108 N 1.21 2.05 -0.29 4.92 0.74 -0.60 -2.40 119.66 125.29 1mx7 s GLN 108 Ca -0.07 -2.20 -0.06 0.00 0.05 0.00 0.00 55.36 53.09 1mx7 s GLN 108 Cb -0.05 -3.50 0.02 0.00 1.10 0.00 0.00 33.01 30.58 1mx7 s GLN 108 CO -0.14 -1.08 0.06 -0.46 -0.55 0.00 0.00 175.29 173.12 1mx7 s TRP 109 N 0.46 3.15 0.03 1.67 -0.00 -1.15 -0.18 118.94 122.92 1mx7 s TRP 109 Ca 0.13 -1.15 -0.17 0.00 -0.00 0.00 0.00 56.10 54.92 1mx7 s TRP 109 Cb -0.22 -2.22 -0.06 0.00 -0.00 0.00 0.00 33.47 30.97 1mx7 s TRP 109 CO -0.04 -0.62 0.48 0.42 -0.00 0.00 0.00 176.95 177.19 1mx7 s ILE 110 N 1.45 4.90 -0.68 5.86 1.01 -1.26 -0.33 121.20 132.15 1mx7 s ILE 110 Ca 0.01 1.00 0.04 0.00 0.00 0.00 0.00 60.65 61.71 1mx7 s ILE 110 Cb -0.17 -3.79 0.30 0.00 0.01 0.00 0.00 42.46 38.81 1mx7 s ILE 110 CO 0.01 0.56 1.00 -0.62 0.00 0.00 0.00 174.94 175.89 1mx7 n GLU 111 N 1.76 3.28 0.00 2.79 1.02 0.80 -4.92 120.64 125.37 1mx7 n GLU 111 Ca -0.12 -4.76 0.00 0.00 -0.02 0.00 0.00 57.16 52.26 1mx7 n GLU 111 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1mx7 n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mx7 n GLY 112 N 0.29 3.52 0.00 0.62 0.00 -1.26 -2.20 105.19 106.15 1mx7 n GLY 112 Ca 0.32 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.33 1mx7 n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx7 n ASP 113 N 9.18 0.00 -4.49 1.61 5.75 -1.26 -4.68 116.55 122.66 1mx7 n ASP 113 Ca 0.00 0.13 -0.26 0.00 -0.01 0.00 0.00 54.79 54.65 1mx7 n ASP 113 Cb 0.00 -0.22 -0.10 0.00 -1.03 0.00 0.00 41.12 39.77 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1mx7 s GLU 114 N -2.44 1.76 -0.28 0.11 2.02 -0.94 -0.46 118.70 118.48 1mx7 s GLU 114 Ca 0.05 -1.54 0.02 0.00 0.02 0.00 0.00 54.97 53.52 1mx7 s GLU 114 Cb 0.03 -1.92 0.08 0.00 0.10 0.00 0.00 34.13 32.42 1mx7 s GLU 114 CO 0.07 0.38 -0.01 -1.17 0.02 0.00 0.00 175.26 174.55 1mx7 s LEU 115 N -3.07 3.25 -0.97 1.80 2.96 -1.25 -0.14 118.68 121.27 1mx7 s LEU 115 Ca 0.26 -1.54 -0.13 0.00 -0.22 0.00 0.00 54.13 52.49 1mx7 s LEU 115 Cb -0.07 -1.31 0.22 0.00 0.50 0.00 0.00 46.19 45.53 1mx7 s LEU 115 CO 0.14 -0.29 0.98 -1.00 -1.32 0.00 0.00 176.35 174.86 1mx7 s HIS 116 N 1.25 3.83 -0.35 5.38 3.76 0.55 -2.58 115.29 127.12 1mx7 s HIS 116 Ca 0.00 -2.16 -0.24 0.00 -0.15 0.00 0.00 55.06 52.52 1mx7 s HIS 116 Cb -0.19 -3.93 0.01 0.00 1.11 0.00 0.00 32.58 29.58 1mx7 s HIS 116 CO -0.09 -1.07 0.80 -1.17 -0.85 0.00 0.00 174.74 172.35 1mx7 s LEU 117 N 0.12 4.10 -0.55 0.89 2.96 -1.25 -2.95 118.68 122.01 1mx7 s LEU 117 Ca 0.26 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 1mx7 s LEU 117 Cb -0.09 -3.07 0.14 0.00 0.50 0.00 0.00 46.19 43.68 1mx7 s LEU 117 CO -0.08 -0.71 0.32 -0.70 -1.32 0.00 0.00 176.35 173.85 1mx7 s GLU 118 N 3.10 2.18 0.62 1.98 2.12 -1.01 -2.61 118.70 125.08 1mx7 s GLU 118 Ca 0.32 -2.56 -0.09 0.00 0.36 0.00 0.00 54.97 53.00 1mx7 s GLU 118 Cb -0.13 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 1mx7 s GLU 118 CO 0.16 -1.13 0.99 -1.64 -0.54 0.00 0.00 175.26 173.10 1mx7 s MET 119 N -0.15 3.24 -0.01 4.30 -1.94 0.49 -3.46 119.30 121.77 1mx7 s MET 119 Ca 0.17 0.44 -0.16 0.00 -1.71 0.00 0.00 55.69 54.42 1mx7 s MET 119 Cb -0.24 -2.14 0.03 0.00 2.01 0.00 0.00 34.83 34.49 1mx7 s MET 119 CO -0.02 -0.68 0.34 0.50 -0.01 0.00 0.00 175.02 175.16 1mx7 s ARG 120 N -5.13 0.71 -0.29 2.03 3.52 -1.20 -1.14 118.95 117.44 1mx7 s ARG 120 Ca 0.55 -0.17 -0.15 0.00 -0.13 0.00 0.00 55.73 55.83 1mx7 s ARG 120 Cb -0.11 0.32 0.14 0.00 -1.56 0.00 0.00 34.95 33.74 1mx7 s ARG 120 CO 0.50 -0.20 0.88 0.00 -0.81 0.00 0.00 175.30 175.67 1mx7 s ALA 121 N -1.38 -2.33 -1.37 6.12 0.00 -1.12 -3.18 121.76 118.51 1mx7 s ALA 121 Ca -0.13 2.21 -0.07 0.00 0.00 0.00 0.00 51.96 53.97 1mx7 s ALA 121 Cb -0.05 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.31 1mx7 s ALA 121 CO 0.04 -0.67 0.47 -1.91 0.00 0.00 0.00 175.76 173.70 1mx7 n GLU 122 N 4.54 -3.79 -0.14 0.00 2.13 -1.26 -2.19 120.64 119.93 1mx7 n GLU 122 Ca -0.14 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1mx7 n GLU 122 Cb 0.54 -5.41 0.00 0.00 0.27 0.00 0.00 31.44 26.85 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 -1.26 1.16 3.37 8.31 0.00 -1.26 -4.82 105.19 110.68 1mx7 n GLY 123 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.59 3.90 -0.27 1.61 1.01 -0.93 -5.08 120.40 118.05 1mx7 s VAL 124 Ca 0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1mx7 s VAL 124 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1mx7 s VAL 124 CO 0.00 0.26 0.52 -0.89 0.00 0.00 0.00 175.10 174.99 1mx7 s THR 125 N 1.53 5.05 -0.09 3.92 2.01 -1.26 -2.78 115.64 124.02 1mx7 s THR 125 Ca 0.05 0.82 -0.01 0.00 0.31 0.00 0.00 61.69 62.85 1mx7 s THR 125 Cb -0.16 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1mx7 s THR 125 CO 0.01 0.04 -0.02 0.00 -0.69 0.00 0.00 174.62 173.96 1mx7 s LYS 127 N -0.78 0.50 -0.12 0.00 -2.85 -1.26 -0.38 119.74 114.86 1mx7 s LYS 127 Ca 0.12 -0.35 -0.01 0.00 -1.00 0.00 0.00 55.97 54.73 1mx7 s LYS 127 Cb -0.11 0.21 0.03 0.00 -2.06 0.00 0.00 37.83 35.90 1mx7 s LYS 127 CO 0.02 -0.12 -0.02 -0.65 0.10 0.00 0.00 175.35 174.68 1mx7 s GLN 128 N -1.32 0.96 -1.07 1.78 -0.21 -1.07 -2.56 119.66 116.16 1mx7 s GLN 128 Ca -0.14 -0.16 -0.22 0.00 0.02 0.00 0.00 55.36 54.86 1mx7 s GLN 128 Cb -0.07 -1.46 0.04 0.00 1.00 0.00 0.00 33.01 32.52 1mx7 s GLN 128 CO 0.02 -0.37 1.59 0.08 -2.12 0.00 0.00 175.29 174.49 1mx7 s VAL 129 N 1.84 3.89 0.89 1.09 1.01 -1.22 -3.79 120.40 124.11 1mx7 s VAL 129 Ca 0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1mx7 s VAL 129 Cb -0.14 -4.95 0.12 0.00 0.00 0.00 0.00 36.38 31.42 1mx7 s VAL 129 CO -0.07 -1.81 1.11 -0.36 0.00 0.00 0.00 175.10 173.98 1mx7 s PHE 130 N 5.66 2.51 -0.37 5.22 0.08 -1.07 -2.05 117.98 127.97 1mx7 s PHE 130 Ca 0.51 1.02 0.01 0.00 0.12 0.00 0.00 56.93 58.59 1mx7 s PHE 130 Cb 0.00 -3.26 0.14 0.00 -0.57 0.00 0.00 43.02 39.34 1mx7 s PHE 130 CO -0.04 -2.28 0.24 0.21 -0.10 0.00 0.00 175.22 173.24 1mx7 s LYS 131 N -5.14 0.67 -0.55 0.44 2.47 -1.17 -3.78 119.74 112.69 1mx7 s LYS 131 Ca 0.63 -1.52 -0.26 0.00 -1.56 0.00 0.00 55.97 53.26 1mx7 s LYS 131 Cb -0.16 -1.41 -0.07 0.00 -1.46 0.00 0.00 37.83 34.74 1mx7 s LYS 131 CO 0.55 -1.24 2.33 0.21 0.16 0.00 0.00 175.35 177.36 1mx7 s LYS 132 N 0.83 2.12 0.53 4.03 2.20 0.39 -4.08 119.74 125.76 1mx7 s LYS 132 Ca 0.21 1.17 0.41 0.00 -0.36 0.00 0.00 55.97 57.40 1mx7 s LYS 132 Cb -0.18 -4.59 1.59 0.00 -1.51 0.00 0.00 37.83 33.14 1mx7 s LYS 132 CO -0.03 -3.33 1.68 -0.24 -0.36 0.00 0.00 175.35 173.07 1mx7 h VAL 133 N 7.58 0.20 0.00 4.02 3.04 -1.77 -3.42 116.25 125.90 1mx7 h VAL 133 Ca -0.21 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1mx7 h VAL 133 Cb 1.22 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1mx7 h VAL 133 CO 1.15 0.01 0.00 1.57 -1.01 0.00 0.00 177.57 179.29