#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 4.45 -4.66 -1.45 3.14 -1.26 -5.02 118.33 113.52 1mx7 n VAL 2 Ca 0.00 -5.75 -0.33 0.00 -2.96 0.00 0.00 64.34 55.29 1mx7 n VAL 2 Cb 0.00 -1.55 -0.14 0.00 -1.06 0.00 0.00 33.84 31.10 1mx7 n VAL 2 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1mx7 s ASP 3 N -2.42 4.26 0.12 6.55 -4.77 -1.26 -5.02 116.67 114.13 1mx7 s ASP 3 Ca 0.43 -0.26 0.23 0.00 -3.30 0.00 0.00 52.55 49.65 1mx7 s ASP 3 Cb 0.22 -1.64 0.06 0.00 -1.09 0.00 0.00 42.92 40.46 1mx7 s ASP 3 CO -0.11 0.17 1.05 0.49 0.70 0.00 0.00 175.17 177.47 1mx7 n PHE 4 N 3.48 0.60 -1.57 2.11 3.72 -1.26 -4.95 117.46 119.59 1mx7 n PHE 4 Ca -0.18 0.17 -0.49 0.00 -0.05 0.00 0.00 57.45 56.91 1mx7 n PHE 4 Cb 0.53 -0.71 -0.05 0.00 -0.94 0.00 0.00 39.48 38.30 1mx7 n PHE 4 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1mx7 n ASN 5 N -2.32 2.83 0.00 4.37 4.13 -1.26 -4.27 115.26 118.75 1mx7 n ASN 5 Ca 0.01 0.58 0.00 0.00 1.68 0.00 0.00 54.58 56.85 1mx7 n ASN 5 Cb 0.50 -1.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.38 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mx7 n GLY 6 N 5.56 -0.85 0.00 7.41 0.00 -1.24 -5.02 105.19 111.04 1mx7 n GLY 6 Ca 0.32 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.00 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 -3.16 1.61 4.01 -1.26 -4.80 117.16 113.55 1mx7 n TYR 7 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 1mx7 n TYR 7 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1mx7 n TYR 7 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1mx7 s TRP 8 N 0.00 3.06 0.00 -0.72 0.52 0.13 -0.20 118.94 121.73 1mx7 s TRP 8 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 56.10 55.57 1mx7 s TRP 8 Cb 0.00 -3.53 0.00 0.00 -1.15 0.00 0.00 33.47 28.79 1mx7 s TRP 8 CO 0.00 -1.03 0.00 0.36 0.02 0.00 0.00 176.95 176.30 1mx7 n LYS 9 N 6.14 0.26 -4.63 4.98 -0.00 0.29 -1.53 118.16 123.68 1mx7 n LYS 9 Ca -0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.01 1mx7 n LYS 9 Cb 0.45 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.32 1mx7 n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mx7 s MET 10 N -1.05 1.46 -0.12 -1.58 0.00 -1.26 -3.27 119.30 113.48 1mx7 s MET 10 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 55.69 55.10 1mx7 s MET 10 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 34.83 33.50 1mx7 s MET 10 CO 0.00 0.16 -0.24 -0.11 0.00 0.00 0.00 175.02 174.83 1mx7 n LEU 11 N 3.30 1.34 -4.40 0.18 7.94 0.90 -4.95 117.00 121.31 1mx7 n LEU 11 Ca -0.19 0.24 -0.21 0.00 -1.11 0.00 0.00 56.01 54.74 1mx7 n LEU 11 Cb 0.53 -0.67 -0.09 0.00 0.53 0.00 0.00 43.42 43.72 1mx7 n LEU 11 CO 0.25 -0.34 -0.22 -0.44 -1.11 0.00 0.00 177.39 175.52 1mx7 s SER 12 N -5.31 1.98 0.27 1.96 0.01 -1.16 -4.99 113.70 106.45 1mx7 s SER 12 Ca -0.20 -1.52 -0.09 0.00 1.31 0.00 0.00 55.95 55.45 1mx7 s SER 12 Cb 0.03 0.29 -0.00 0.00 0.21 0.00 0.00 66.02 66.54 1mx7 s SER 12 CO 0.29 -0.82 0.46 0.54 0.41 0.00 0.00 173.24 174.12 1mx7 s ASN 13 N -3.45 0.18 -0.25 2.44 4.22 -1.25 -1.63 114.94 115.21 1mx7 s ASN 13 Ca 0.33 -1.12 -0.16 0.00 -2.14 0.00 0.00 52.86 49.77 1mx7 s ASN 13 Cb 0.06 0.60 0.07 0.00 1.28 0.00 0.00 41.25 43.25 1mx7 s ASN 13 CO 0.16 -1.18 0.62 -0.70 -2.04 0.00 0.00 177.10 173.96 1mx7 s GLU 14 N -3.71 0.65 -1.50 3.55 2.56 -0.59 -4.85 118.70 114.81 1mx7 s GLU 14 Ca 0.26 1.04 -0.10 0.00 0.00 0.00 0.00 54.97 56.17 1mx7 s GLU 14 Cb -0.00 0.16 0.07 0.00 2.00 0.00 0.00 34.13 36.36 1mx7 s GLU 14 CO 0.12 -0.14 0.86 0.09 -0.56 0.00 0.00 175.26 175.64 1mx7 n ASN 15 N 3.88 -3.54 -0.08 -1.70 3.02 -1.26 -3.38 115.26 112.20 1mx7 n ASN 15 Ca -0.19 -0.83 -0.13 0.00 -0.03 0.00 0.00 54.58 53.40 1mx7 n ASN 15 Cb 0.57 -3.73 -0.05 0.00 -0.61 0.00 0.00 39.78 35.96 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 -1.96 0.64 -0.11 3.10 3.57 -1.96 -1.97 116.94 118.25 1mx7 h PHE 16 Ca -0.59 -0.18 -0.16 0.00 3.53 0.00 0.00 57.97 60.57 1mx7 h PHE 16 Cb 1.37 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1mx7 h PHE 16 CO 0.55 0.85 -0.60 1.49 -2.23 0.00 0.00 178.31 178.37 1mx7 h GLU 17 N 0.24 0.36 0.00 1.11 4.81 -1.90 -2.66 114.58 116.53 1mx7 h GLU 17 Ca 0.04 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1mx7 h GLU 17 Cb 0.73 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1mx7 h GLU 17 CO 0.05 0.86 -0.03 1.49 -0.73 0.00 0.00 179.01 180.64 1mx7 h GLU 18 N 0.27 0.00 0.01 1.92 4.81 -1.96 -2.90 114.58 116.72 1mx7 h GLU 18 Ca -0.01 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1mx7 h GLU 18 Cb 1.13 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.52 1mx7 h GLU 18 CO 0.10 0.03 -0.78 -0.92 -0.73 0.00 0.00 179.01 176.72 1mx7 h TYR 19 N 0.00 0.76 0.00 0.92 3.20 -1.13 -2.96 116.97 117.75 1mx7 h TYR 19 Ca -0.00 -0.42 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 1mx7 h TYR 19 Cb 0.90 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1mx7 h TYR 19 CO 0.00 1.25 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.62 1mx7 h LEU 20 N 0.05 0.00 -0.18 2.82 3.38 -1.45 -2.30 115.31 117.63 1mx7 h LEU 20 Ca -0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1mx7 h LEU 20 Cb 1.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1mx7 h LEU 20 CO 0.15 0.08 -0.50 -0.09 0.09 0.00 0.00 178.44 178.18 1mx7 h ARG 21 N 0.00 0.00 -0.21 1.13 2.43 -1.54 -3.01 114.38 113.18 1mx7 h ARG 21 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1mx7 h ARG 21 Cb 0.67 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1mx7 h ARG 21 CO 0.01 0.50 0.07 0.00 -1.51 0.00 0.00 179.97 179.04 1mx7 h ALA 22 N 1.50 0.28 -0.00 2.80 0.00 -1.24 -3.00 119.26 119.60 1mx7 h ALA 22 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1mx7 h ALA 22 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1mx7 h ALA 22 CO 0.06 -0.11 -0.24 1.28 0.00 0.00 0.00 179.25 180.25 1mx7 n LEU 23 N -4.79 0.63 -0.62 0.00 4.32 -1.23 -4.87 117.00 110.45 1mx7 n LEU 23 Ca -0.04 -0.05 -0.08 0.00 -0.02 0.00 0.00 56.01 55.82 1mx7 n LEU 23 Cb 0.14 -0.20 -0.03 0.00 -1.62 0.00 0.00 43.42 41.71 1mx7 n LEU 23 CO 0.36 0.13 -0.08 0.47 -1.22 0.00 0.00 177.39 177.04 1mx7 n ASP 24 N -1.01 -4.10 -4.56 -1.43 8.00 -1.13 -4.97 116.55 107.35 1mx7 n ASP 24 Ca 0.11 0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.51 1mx7 n ASP 24 Cb 0.32 -2.31 0.20 0.00 -0.02 0.00 0.00 41.12 39.31 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1mx7 n VAL 25 N -2.72 0.00 -1.32 2.53 3.14 -1.14 -4.86 118.33 113.96 1mx7 n VAL 25 Ca -0.08 -0.18 -0.40 0.00 -2.96 0.00 0.00 64.34 60.71 1mx7 n VAL 25 Cb 0.29 -0.95 0.01 0.00 -1.06 0.00 0.00 33.84 32.12 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 -4.17 -2.73 0.22 6.55 2.85 -1.26 -4.88 115.26 111.83 1mx7 n ASN 26 Ca 0.08 0.75 0.10 0.00 -0.11 0.00 0.00 54.58 55.40 1mx7 n ASN 26 Cb 0.53 -0.93 0.40 0.00 1.24 0.00 0.00 39.78 41.02 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 0.24 0.48 0.00 3.44 3.04 -1.96 -2.94 116.25 118.55 1mx7 h VAL 27 Ca -0.40 -1.19 -0.06 0.00 -1.01 0.00 0.00 66.70 64.05 1mx7 h VAL 27 Cb 1.44 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 32.56 1mx7 h VAL 27 CO 0.45 0.21 -0.26 0.00 -1.01 0.00 0.00 177.57 176.96 1mx7 h ALA 28 N 1.78 0.94 -0.14 3.17 0.00 -1.99 -2.98 119.26 120.04 1mx7 h ALA 28 Ca -0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1mx7 h ALA 28 Cb 0.83 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1mx7 h ALA 28 CO 0.03 0.33 -0.24 -0.07 0.00 0.00 0.00 179.25 179.30 1mx7 h LEU 29 N 0.00 0.45 -1.12 0.00 -0.00 -1.87 -2.04 115.31 110.73 1mx7 h LEU 29 Ca -0.00 -0.54 -0.09 0.00 -0.00 0.00 0.00 57.88 57.25 1mx7 h LEU 29 Cb 0.90 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 1mx7 h LEU 29 CO 0.03 0.90 -0.39 -0.09 -0.00 0.00 0.00 178.44 178.90 1mx7 h ARG 30 N 0.01 0.10 -0.09 1.13 1.12 -1.63 0.61 114.38 115.63 1mx7 h ARG 30 Ca 0.01 -0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 58.72 1mx7 h ARG 30 Cb 0.81 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.77 1mx7 h ARG 30 CO 0.05 0.48 -0.40 -0.22 -3.11 0.00 0.00 179.97 176.77 1mx7 h LYS 31 N 0.09 0.43 0.00 0.20 1.63 -1.54 -2.95 116.57 114.42 1mx7 h LYS 31 Ca 0.01 -0.34 -0.18 0.00 -0.85 0.00 0.00 60.65 59.29 1mx7 h LYS 31 Cb 0.73 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.40 1mx7 h LYS 31 CO 0.05 0.97 -0.83 0.82 -3.45 0.00 0.00 179.45 177.02 1mx7 h ILE 32 N -0.01 1.57 0.00 2.00 2.04 -1.23 -3.29 117.51 118.59 1mx7 h ILE 32 Ca -0.02 -2.75 0.02 0.00 1.00 0.00 0.00 64.86 63.10 1mx7 h ILE 32 Cb 1.04 2.50 -0.05 0.00 -0.74 0.00 0.00 36.82 39.57 1mx7 h ILE 32 CO 0.08 0.79 -0.46 0.00 0.00 0.00 0.00 178.15 178.57 1mx7 h ALA 33 N 1.15 -0.89 -2.45 1.87 0.00 0.28 -3.29 119.26 115.93 1mx7 h ALA 33 Ca -0.02 -0.07 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 1mx7 h ALA 33 Cb 1.45 0.89 0.19 0.00 0.00 0.00 0.00 17.79 20.32 1mx7 h ALA 33 CO 0.11 -1.02 -0.30 -1.71 0.00 0.00 0.00 179.25 176.33 1mx7 n ASN 34 N -5.00 -0.93 0.00 0.00 4.05 -1.12 -1.48 115.26 110.78 1mx7 n ASN 34 Ca -0.06 0.56 0.00 0.00 0.45 0.00 0.00 54.58 55.52 1mx7 n ASN 34 Cb 0.34 -1.27 0.00 0.00 1.23 0.00 0.00 39.78 40.08 1mx7 n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1mx7 n LEU 35 N -0.91 0.00 -4.86 1.20 4.32 -1.26 -4.93 117.00 110.55 1mx7 n LEU 35 Ca 0.10 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.72 1mx7 n LEU 35 Cb 0.50 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.24 1mx7 n LEU 35 CO 0.50 0.00 -0.18 -0.76 -1.22 0.00 0.00 177.39 175.73 1mx7 s LEU 36 N 0.00 4.33 -0.21 2.23 2.01 -0.55 -5.09 118.68 121.40 1mx7 s LEU 36 Ca 0.00 0.44 0.00 0.00 0.01 0.00 0.00 54.13 54.58 1mx7 s LEU 36 Cb 0.00 -2.05 0.05 0.00 0.01 0.00 0.00 46.19 44.20 1mx7 s LEU 36 CO 0.00 0.40 -0.05 -0.54 1.01 0.00 0.00 176.35 177.17 1mx7 s LYS 37 N -0.98 1.54 -0.33 1.70 1.02 -1.26 -4.86 119.74 116.58 1mx7 s LYS 37 Ca 0.15 -0.81 -0.27 0.00 0.02 0.00 0.00 55.97 55.06 1mx7 s LYS 37 Cb -0.12 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.74 1mx7 s LYS 37 CO 0.04 -0.54 2.31 -2.14 -0.92 0.00 0.00 175.35 174.09 1mx7 s PRO 38 N 1.50 2.69 0.99 -1.68 0.02 -1.26 -4.91 135.00 132.34 1mx7 s PRO 38 Ca -0.03 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 62.60 1mx7 s PRO 38 Cb -0.17 -4.47 0.24 0.00 0.02 0.00 0.00 34.50 30.12 1mx7 s PRO 38 CO -0.07 -2.61 0.91 -0.25 -0.33 0.00 0.00 177.00 174.65 1mx7 n ASP 39 N 13.51 -1.75 -4.00 2.53 8.00 -1.18 -4.87 116.55 128.79 1mx7 n ASP 39 Ca 0.33 -1.07 -0.09 0.00 0.71 0.00 0.00 54.79 54.67 1mx7 n ASP 39 Cb 0.49 -0.82 -0.11 0.00 -0.02 0.00 0.00 41.12 40.67 1mx7 n ASP 39 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1mx7 s LYS 40 N -5.05 0.42 -0.46 -1.24 2.47 -0.58 -3.33 119.74 111.97 1mx7 s LYS 40 Ca 0.58 -0.77 0.07 0.00 -1.56 0.00 0.00 55.97 54.28 1mx7 s LYS 40 Cb -0.05 0.15 0.25 0.00 -1.46 0.00 0.00 37.83 36.71 1mx7 s LYS 40 CO 0.44 -0.08 0.80 -1.91 0.16 0.00 0.00 175.35 174.76 1mx7 n GLU 41 N 1.14 0.77 -1.45 4.03 2.13 -1.25 -0.69 120.64 125.32 1mx7 n GLU 41 Ca -0.21 -2.14 -0.36 0.00 0.66 0.00 0.00 57.16 55.11 1mx7 n GLU 41 Cb 0.57 -1.39 0.08 0.00 0.27 0.00 0.00 31.44 30.97 1mx7 n GLU 41 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1mx7 n ILE 42 N 1.55 3.31 -3.40 6.31 2.08 -1.26 -4.31 119.36 123.64 1mx7 n ILE 42 Ca 0.12 -0.41 -0.19 0.00 0.56 0.00 0.00 62.75 62.84 1mx7 n ILE 42 Cb 0.61 -1.18 -0.09 0.00 -0.75 0.00 0.00 39.64 38.22 1mx7 n ILE 42 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1mx7 s VAL 43 N -1.71 -0.31 -0.17 1.39 1.01 -0.85 -3.72 120.40 116.04 1mx7 s VAL 43 Ca 0.76 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1mx7 s VAL 43 Cb -0.36 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1mx7 s VAL 43 CO 0.48 -0.58 -0.15 -1.58 0.00 0.00 0.00 175.10 173.27 1mx7 s GLN 44 N 1.86 2.49 0.00 2.72 0.74 -1.26 -0.14 119.66 126.07 1mx7 s GLN 44 Ca 0.13 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.82 1mx7 s GLN 44 Cb -0.15 -2.34 0.00 0.00 1.10 0.00 0.00 33.01 31.62 1mx7 s GLN 44 CO -0.18 -0.27 0.11 -0.25 -0.55 0.00 0.00 175.29 174.15 1mx7 n ASP 45 N 4.69 0.00 0.12 6.67 8.00 -1.14 -4.81 116.55 130.07 1mx7 n ASP 45 Ca -0.18 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1mx7 n ASP 45 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 1.15 -1.25 1.10 0.44 0.00 -1.26 -4.89 105.19 100.48 1mx7 n GLY 46 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.97 3.36 -3.78 1.61 8.00 -1.26 -4.93 116.55 116.59 1mx7 n ASP 47 Ca 0.00 -1.98 -0.15 0.00 0.71 0.00 0.00 54.79 53.38 1mx7 n ASP 47 Cb 0.00 -0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.52 1.28 0.17 1.24 3.76 -1.26 -3.29 115.29 115.67 1mx7 s HIS 48 Ca 0.36 -1.41 -0.11 0.00 -0.15 0.00 0.00 55.06 53.76 1mx7 s HIS 48 Cb 0.22 -0.49 -0.00 0.00 1.11 0.00 0.00 32.58 33.42 1mx7 s HIS 48 CO 0.31 -0.81 0.33 1.41 -0.85 0.00 0.00 174.74 175.12 1mx7 s MET 49 N -3.77 1.20 -0.15 1.40 1.75 0.09 -2.90 119.30 116.91 1mx7 s MET 49 Ca 0.37 -1.11 -0.06 0.00 -1.25 0.00 0.00 55.69 53.64 1mx7 s MET 49 Cb 0.04 0.41 0.07 0.00 2.84 0.00 0.00 34.83 38.18 1mx7 s MET 49 CO 0.18 -0.45 0.33 0.42 -0.65 0.00 0.00 175.02 174.85 1mx7 s ILE 50 N -3.95 -0.35 -0.12 10.11 -1.09 0.80 -0.16 121.20 126.44 1mx7 s ILE 50 Ca 0.15 0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.75 1mx7 s ILE 50 Cb 0.02 -0.53 -0.03 0.00 -1.58 0.00 0.00 42.46 40.35 1mx7 s ILE 50 CO -0.01 0.08 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.09 1mx7 s ILE 51 N 2.10 3.66 0.06 2.92 1.09 -1.26 -2.00 121.20 127.78 1mx7 s ILE 51 Ca -0.03 -0.46 0.06 0.00 -1.10 0.00 0.00 60.65 59.12 1mx7 s ILE 51 Cb -0.11 -2.56 -0.03 0.00 -1.06 0.00 0.00 42.46 38.71 1mx7 s ILE 51 CO -0.11 0.53 -0.18 -0.13 -0.10 0.00 0.00 174.94 174.96 1mx7 s ARG 52 N -0.03 1.10 -0.24 2.79 0.52 -1.26 -3.50 118.95 118.34 1mx7 s ARG 52 Ca -0.00 -0.92 -0.00 0.00 -0.52 0.00 0.00 55.73 54.28 1mx7 s ARG 52 Cb -0.13 -1.20 0.07 0.00 0.52 0.00 0.00 34.95 34.20 1mx7 s ARG 52 CO 0.03 0.29 -0.01 0.99 0.02 0.00 0.00 175.30 176.63 1mx7 s THR 53 N -0.95 1.25 -0.51 0.02 2.01 -1.18 -3.85 115.64 112.44 1mx7 s THR 53 Ca 0.04 -1.15 -0.11 0.00 0.31 0.00 0.00 61.69 60.78 1mx7 s THR 53 Cb -0.09 -1.65 0.13 0.00 0.01 0.00 0.00 72.50 70.90 1mx7 s THR 53 CO 0.02 -0.23 0.40 -0.76 -0.69 0.00 0.00 174.62 173.37 1mx7 s LEU 54 N 1.50 5.84 0.35 4.42 1.43 -1.21 -3.37 118.68 127.65 1mx7 s LEU 54 Ca -0.02 -1.96 0.03 0.00 -1.03 0.00 0.00 54.13 51.16 1mx7 s LEU 54 Cb -0.18 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 1mx7 s LEU 54 CO -0.09 -0.71 0.09 -0.44 0.23 0.00 0.00 176.35 175.43 1mx7 s SER 55 N 2.78 2.35 -0.46 2.29 0.01 -1.26 -3.11 113.70 116.29 1mx7 s SER 55 Ca 0.06 -1.50 0.04 0.00 1.31 0.00 0.00 55.95 55.86 1mx7 s SER 55 Cb -0.26 0.20 0.62 0.00 0.21 0.00 0.00 66.02 66.79 1mx7 s SER 55 CO -0.00 -0.76 1.88 0.35 0.41 0.00 0.00 173.24 175.12 1mx7 n THR 56 N -0.74 3.20 0.00 1.44 -2.24 -1.26 -4.23 114.28 110.45 1mx7 n THR 56 Ca -0.03 -2.17 0.00 0.00 -2.27 0.00 0.00 64.05 59.58 1mx7 n THR 56 Cb 0.66 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1mx7 n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1mx7 n PHE 57 N -1.11 0.00 -3.65 4.78 7.35 -1.26 -5.12 117.46 118.46 1mx7 n PHE 57 Ca 0.58 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 57.24 1mx7 n PHE 57 Cb 1.47 0.04 -0.07 0.00 0.35 0.00 0.00 39.48 41.27 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 -1.86 0.15 0.44 -4.13 3.52 -1.26 -5.18 118.95 110.62 1mx7 s ARG 58 Ca 0.00 0.20 0.08 0.00 -0.13 0.00 0.00 55.73 55.88 1mx7 s ARG 58 Cb 0.00 0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.47 1mx7 s ARG 58 CO 0.00 -0.02 0.55 -0.80 -0.81 0.00 0.00 175.30 174.22 1mx7 s ASN 59 N 0.34 5.46 -0.14 -2.12 0.02 -1.26 -4.40 114.94 112.84 1mx7 s ASN 59 Ca 0.03 -0.55 -0.01 0.00 -1.02 0.00 0.00 52.86 51.31 1mx7 s ASN 59 Cb -0.04 -0.52 0.03 0.00 0.02 0.00 0.00 41.25 40.74 1mx7 s ASN 59 CO -0.13 -0.81 -0.05 -0.47 0.02 0.00 0.00 177.10 175.66 1mx7 s TYR 60 N -2.42 1.46 -0.22 2.20 6.14 -1.22 -4.95 117.35 118.34 1mx7 s TYR 60 Ca 0.54 -0.84 0.02 0.00 0.64 0.00 0.00 57.07 57.43 1mx7 s TYR 60 Cb -0.08 -1.21 0.05 0.00 0.42 0.00 0.00 41.96 41.14 1mx7 s TYR 60 CO 0.32 -0.54 -0.11 0.42 0.64 0.00 0.00 175.55 176.28 1mx7 s ILE 61 N 1.71 1.83 0.41 3.14 -1.09 -1.26 -3.09 121.20 122.84 1mx7 s ILE 61 Ca 0.03 -1.24 0.04 0.00 -2.23 0.00 0.00 60.65 57.25 1mx7 s ILE 61 Cb -0.14 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.80 1mx7 s ILE 61 CO -0.08 0.09 0.14 -0.04 -1.23 0.00 0.00 174.94 173.83 1mx7 s MET 62 N 1.29 1.93 -0.26 2.79 -1.94 -1.23 -5.06 119.30 116.82 1mx7 s MET 62 Ca -0.04 -2.17 -0.02 0.00 -1.71 0.00 0.00 55.69 51.75 1mx7 s MET 62 Cb -0.18 -0.54 0.14 0.00 2.01 0.00 0.00 34.83 36.26 1mx7 s MET 62 CO -0.07 -0.50 0.39 -0.51 -0.01 0.00 0.00 175.02 174.32 1mx7 s ASP 63 N -3.59 0.27 0.48 3.03 1.11 -1.26 -4.04 116.67 112.67 1mx7 s ASP 63 Ca 0.25 0.08 0.07 0.00 0.18 0.00 0.00 52.55 53.13 1mx7 s ASP 63 Cb 0.02 1.13 0.01 0.00 1.07 0.00 0.00 42.92 45.15 1mx7 s ASP 63 CO 0.15 -0.31 0.42 -0.36 1.18 0.00 0.00 175.17 176.25 1mx7 s PHE 64 N 2.55 2.13 -0.18 4.23 0.08 0.77 -4.97 117.98 122.59 1mx7 s PHE 64 Ca 0.12 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.51 1mx7 s PHE 64 Cb -0.15 -2.06 0.04 0.00 -0.57 0.00 0.00 43.02 40.28 1mx7 s PHE 64 CO -0.20 -0.35 -0.09 -0.65 -0.10 0.00 0.00 175.22 173.83 1mx7 s GLN 65 N -4.23 1.83 -0.77 0.44 -1.52 -1.26 -0.73 119.66 113.42 1mx7 s GLN 65 Ca 0.44 -0.70 -0.26 0.00 -1.95 0.00 0.00 55.36 52.89 1mx7 s GLN 65 Cb -0.03 -2.24 -0.02 0.00 -0.22 0.00 0.00 33.01 30.50 1mx7 s GLN 65 CO 0.26 -0.41 1.83 0.08 -0.25 0.00 0.00 175.29 176.80 1mx7 s VAL 66 N 1.49 3.45 0.00 1.09 1.01 -1.21 -3.42 120.40 122.82 1mx7 s VAL 66 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1mx7 s VAL 66 Cb -0.16 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1mx7 s VAL 66 CO -0.08 -1.05 0.00 0.61 0.00 0.00 0.00 175.10 174.57 1mx7 n GLY 67 N 6.23 0.67 3.36 4.51 0.00 -1.17 -4.81 105.19 113.99 1mx7 n GLY 67 Ca 0.28 -0.47 0.02 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 0.18 0.27 1.61 2.36 -1.22 -5.12 119.74 117.55 1mx7 s LYS 68 Ca 0.00 0.42 -0.30 0.00 -2.55 0.00 0.00 55.97 53.54 1mx7 s LYS 68 Cb 0.00 0.22 -0.13 0.00 -1.05 0.00 0.00 37.83 36.87 1mx7 s LYS 68 CO 0.00 -0.06 1.43 -1.91 1.55 0.00 0.00 175.35 176.36 1mx7 n GLU 69 N 4.52 2.21 -3.29 4.03 2.13 -1.26 -4.73 120.64 124.25 1mx7 n GLU 69 Ca -0.10 0.78 -0.16 0.00 0.66 0.00 0.00 57.16 58.35 1mx7 n GLU 69 Cb 0.54 -2.46 -0.03 0.00 0.27 0.00 0.00 31.44 29.77 1mx7 n GLU 69 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1mx7 n PHE 70 N 1.67 0.55 -2.99 4.31 3.01 -1.13 -5.05 117.46 117.82 1mx7 n PHE 70 Ca 0.10 -1.22 -0.16 0.00 1.01 0.00 0.00 57.45 57.18 1mx7 n PHE 70 Cb 0.34 -0.16 -0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1mx7 n PHE 70 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1mx7 n GLU 71 N -0.61 0.82 -1.66 -1.08 4.07 -1.26 -3.60 120.64 117.33 1mx7 n GLU 71 Ca -0.10 -2.61 -0.53 0.00 -0.06 0.00 0.00 57.16 53.86 1mx7 n GLU 71 Cb 0.31 -1.35 -0.06 0.00 -0.06 0.00 0.00 31.44 30.28 1mx7 n GLU 71 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1mx7 n GLU 72 N 1.12 1.56 -0.01 5.31 -0.58 -0.69 -4.86 120.64 122.50 1mx7 n GLU 72 Ca 0.16 0.56 -0.11 0.00 -0.42 0.00 0.00 57.16 57.35 1mx7 n GLU 72 Cb 0.61 -2.39 0.03 0.00 -0.57 0.00 0.00 31.44 29.12 1mx7 n GLU 72 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1mx7 h ASP 73 N 8.91 0.68 -6.62 1.62 5.19 -1.87 -2.91 116.42 121.42 1mx7 h ASP 73 Ca -0.44 -0.38 -0.44 0.00 -0.62 0.00 0.00 57.03 55.15 1mx7 h ASP 73 Cb 1.30 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1mx7 h ASP 73 CO 0.97 1.11 -1.05 0.18 -3.12 0.00 0.00 179.24 177.33 1mx7 n LEU 74 N -3.95 -2.35 -4.24 1.55 4.77 -1.26 -4.36 117.00 107.16 1mx7 n LEU 74 Ca -0.04 -0.77 -0.35 0.00 -0.03 0.00 0.00 56.01 54.82 1mx7 n LEU 74 Cb 0.63 -1.74 -0.14 0.00 -2.33 0.00 0.00 43.42 39.83 1mx7 n LEU 74 CO 0.48 0.20 -0.39 0.42 -1.33 0.00 0.00 177.39 176.77 1mx7 s THR 75 N -2.74 3.09 0.00 -5.08 -4.23 -1.26 -3.07 115.64 102.35 1mx7 s THR 75 Ca 0.06 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1mx7 s THR 75 Cb -0.01 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1mx7 s THR 75 CO 0.88 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.84 1mx7 n GLY 76 N 4.72 2.28 3.61 3.99 0.00 -1.26 -5.04 105.19 113.49 1mx7 n GLY 76 Ca -0.17 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1mx7 n GLY 76 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mx7 s ILE 77 N 0.00 3.63 -1.11 -0.61 -4.36 -1.26 -4.53 121.20 112.96 1mx7 s ILE 77 Ca 0.00 -0.97 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 1mx7 s ILE 77 Cb 0.00 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 41.06 1mx7 s ILE 77 CO 0.00 0.25 0.00 0.47 0.24 0.00 0.00 174.94 175.90 1mx7 n ASP 78 N 1.09 -4.35 0.00 4.36 8.00 -1.26 -4.48 116.55 119.91 1mx7 n ASP 78 Ca -0.14 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1mx7 n ASP 78 Cb 0.52 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.15 1mx7 n ASP 78 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1mx7 n ASP 79 N -0.56 0.00 -0.43 -2.24 5.75 -1.26 -4.82 116.55 112.98 1mx7 n ASP 79 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 1mx7 n ASP 79 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1mx7 n ASP 79 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1mx7 n ARG 80 N 0.00 0.89 -3.69 0.11 3.00 -1.17 -5.04 116.66 110.75 1mx7 n ARG 80 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 1mx7 n ARG 80 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1mx7 n ARG 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1mx7 s LYS 81 N -0.03 0.75 -0.24 -0.14 2.47 -1.26 -4.21 119.74 117.07 1mx7 s LYS 81 Ca 0.00 0.13 -0.24 0.00 -1.56 0.00 0.00 55.97 54.30 1mx7 s LYS 81 Cb 0.00 0.34 0.07 0.00 -1.46 0.00 0.00 37.83 36.78 1mx7 s LYS 81 CO 0.00 -0.19 0.68 0.00 0.16 0.00 0.00 175.35 175.99 1mx7 n MET 83 N 2.61 4.21 -0.75 0.00 1.56 -1.26 -1.71 117.12 121.78 1mx7 n MET 83 Ca -0.14 -3.94 -0.33 0.00 -0.27 0.00 0.00 57.70 53.02 1mx7 n MET 83 Cb 0.55 -2.71 0.14 0.00 2.15 0.00 0.00 33.22 33.36 1mx7 n MET 83 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1mx7 n THR 84 N 2.14 0.00 -3.15 1.12 -1.04 -1.24 -4.22 114.28 107.89 1mx7 n THR 84 Ca 0.40 -0.26 0.04 0.00 -2.04 0.00 0.00 64.05 62.19 1mx7 n THR 84 Cb 0.33 -0.54 -0.01 0.00 -1.82 0.00 0.00 70.33 68.28 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 -2.26 -0.79 -0.26 12.58 2.01 0.57 -2.85 115.64 124.64 1mx7 s THR 85 Ca 0.54 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.48 1mx7 s THR 85 Cb -0.14 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1mx7 s THR 85 CO 0.67 0.00 0.05 -0.69 -0.69 0.00 0.00 174.62 173.96 1mx7 s VAL 86 N 2.88 3.99 0.10 3.82 1.01 -1.26 -1.50 120.40 129.43 1mx7 s VAL 86 Ca 0.14 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1mx7 s VAL 86 Cb -0.11 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1mx7 s VAL 86 CO -0.21 0.26 -0.21 -0.44 0.00 0.00 0.00 175.10 174.50 1mx7 s SER 87 N 1.54 2.59 -0.09 3.32 0.01 -0.95 -3.03 113.70 117.09 1mx7 s SER 87 Ca 0.05 -0.67 -0.25 0.00 1.31 0.00 0.00 55.95 56.39 1mx7 s SER 87 Cb -0.16 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1mx7 s SER 87 CO 0.02 0.08 0.76 0.86 0.41 0.00 0.00 173.24 175.37 1mx7 s TRP 88 N -1.11 3.53 -0.18 2.43 -0.00 -1.26 -3.50 118.94 118.84 1mx7 s TRP 88 Ca 0.07 1.28 -0.15 0.00 -0.00 0.00 0.00 56.10 57.30 1mx7 s TRP 88 Cb -0.10 -2.90 -0.10 0.00 -0.00 0.00 0.00 33.47 30.37 1mx7 s TRP 88 CO 0.04 -0.03 -0.08 -3.47 -0.00 0.00 0.00 176.95 173.42 1mx7 n ASP 89 N 4.26 1.86 0.00 5.86 2.03 -1.16 -5.04 116.55 124.35 1mx7 n ASP 89 Ca 0.01 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1mx7 n ASP 89 Cb 0.50 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 1mx7 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mx7 n GLY 90 N 1.49 0.68 0.28 0.27 0.00 -1.26 -4.89 105.19 101.77 1mx7 n GLY 90 Ca -0.22 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1mx7 n GLY 90 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mx7 h ASP 91 N 0.00 0.00 -5.31 1.61 5.19 -2.01 -3.45 116.42 112.46 1mx7 h ASP 91 Ca 0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1mx7 h ASP 91 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 1mx7 h ASP 91 CO 0.00 0.08 -0.27 -0.54 -3.12 0.00 0.00 179.24 175.39 1mx7 s LYS 92 N -4.22 1.34 -0.10 3.56 1.02 -1.26 -4.63 119.74 115.45 1mx7 s LYS 92 Ca -0.03 -1.28 -0.01 0.00 0.02 0.00 0.00 55.97 54.67 1mx7 s LYS 92 Cb 0.13 0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 37.81 1mx7 s LYS 92 CO 0.56 -0.52 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.27 1mx7 s LEU 93 N -3.02 3.33 0.01 3.17 1.98 -1.05 -2.99 118.68 120.12 1mx7 s LEU 93 Ca 0.23 0.00 0.01 0.00 -2.89 0.00 0.00 54.13 51.48 1mx7 s LEU 93 Cb 0.02 -1.76 -0.01 0.00 0.66 0.00 0.00 46.19 45.10 1mx7 s LEU 93 CO 0.06 0.31 -0.04 -1.10 -1.89 0.00 0.00 176.35 173.69 1mx7 s GLN 94 N -0.47 0.29 0.24 1.98 -1.52 -1.23 -2.68 119.66 116.28 1mx7 s GLN 94 Ca 0.08 -0.39 0.10 0.00 -1.95 0.00 0.00 55.36 53.20 1mx7 s GLN 94 Cb -0.12 -0.11 -0.05 0.00 -0.22 0.00 0.00 33.01 32.51 1mx7 s GLN 94 CO 0.02 0.02 -0.17 0.00 -0.25 0.00 0.00 175.29 174.90 1mx7 s VAL 96 N -2.72 -0.12 -0.01 0.00 0.11 -0.57 -4.50 120.40 112.60 1mx7 s VAL 96 Ca 0.26 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.36 1mx7 s VAL 96 Cb -0.03 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1mx7 s VAL 96 CO 0.11 0.00 -0.10 -1.10 -3.33 0.00 0.00 175.10 170.69 1mx7 s GLN 97 N 1.77 0.78 0.86 1.54 -0.21 -1.22 -0.31 119.66 122.86 1mx7 s GLN 97 Ca -0.09 -0.35 -0.08 0.00 0.02 0.00 0.00 55.36 54.86 1mx7 s GLN 97 Cb -0.06 -0.75 0.18 0.00 1.00 0.00 0.00 33.01 33.37 1mx7 s GLN 97 CO -0.19 0.21 1.17 0.15 -2.12 0.00 0.00 175.29 174.51 1mx7 s LYS 98 N -0.23 1.01 0.00 2.91 1.02 -1.26 -4.80 119.74 118.39 1mx7 s LYS 98 Ca 0.04 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.10 1mx7 s LYS 98 Cb -0.04 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1mx7 s LYS 98 CO -0.00 -2.02 0.00 0.41 -0.92 0.00 0.00 175.35 172.82 1mx7 n GLY 99 N -3.32 0.74 0.09 -3.33 0.00 -1.26 -4.33 105.19 93.77 1mx7 n GLY 99 Ca 0.17 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.60 1mx7 n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mx7 h GLU 100 N 0.00 0.00 -7.75 1.61 4.81 -1.97 -3.48 114.58 107.80 1mx7 h GLU 100 Ca 0.00 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.78 1mx7 h GLU 100 Cb 0.00 0.00 0.16 0.00 0.63 0.00 0.00 28.75 29.54 1mx7 h GLU 100 CO 0.00 0.00 0.38 0.15 -0.73 0.00 0.00 179.01 178.81 1mx7 s LYS 101 N -3.25 0.57 -0.09 1.92 -0.14 -1.26 -5.02 119.74 112.47 1mx7 s LYS 101 Ca 0.04 -0.63 0.15 0.00 -1.36 0.00 0.00 55.97 54.16 1mx7 s LYS 101 Cb 0.12 -1.91 0.48 0.00 -1.68 0.00 0.00 37.83 34.84 1mx7 s LYS 101 CO 0.75 -2.41 1.40 0.39 -0.76 0.00 0.00 175.35 174.72 1mx7 n GLU 102 N -3.70 3.09 0.00 1.68 1.02 -1.26 -4.90 120.64 116.57 1mx7 n GLU 102 Ca 0.17 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 1mx7 n GLU 102 Cb 0.59 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1mx7 n GLU 102 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mx7 n GLY 103 N 0.25 -0.29 2.02 0.62 0.00 -1.26 -3.68 105.19 102.84 1mx7 n GLY 103 Ca 0.18 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.18 -0.28 0.00 1.61 1.74 -0.71 -4.80 116.66 114.05 1mx7 n ARG 104 Ca 0.00 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1mx7 n ARG 104 Cb 0.00 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 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 1.17 2.27 3.75 -0.13 0.00 -1.20 -3.44 105.19 107.60 1mx7 n GLY 105 Ca 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.99 2.65 -0.18 1.61 0.51 -1.26 -2.45 118.94 117.83 1mx7 s TRP 106 Ca 0.00 -0.50 -0.06 0.00 -2.12 0.00 0.00 56.10 53.42 1mx7 s TRP 106 Cb 0.00 -1.86 0.08 0.00 -0.81 0.00 0.00 33.47 30.89 1mx7 s TRP 106 CO 0.00 0.21 0.38 0.99 -0.51 0.00 0.00 176.95 178.02 1mx7 s THR 107 N -2.52 -0.60 -0.35 2.01 2.01 -0.85 -3.10 115.64 112.25 1mx7 s THR 107 Ca 0.41 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1mx7 s THR 107 Cb 0.01 -0.62 0.09 0.00 0.01 0.00 0.00 72.50 71.99 1mx7 s THR 107 CO 0.23 0.08 0.08 -1.10 -0.69 0.00 0.00 174.62 173.22 1mx7 s GLN 108 N 2.56 1.81 -0.11 4.92 -0.21 -1.09 -2.04 119.66 125.50 1mx7 s GLN 108 Ca -0.01 -1.75 -0.00 0.00 0.02 0.00 0.00 55.36 53.62 1mx7 s GLN 108 Cb -0.12 -3.29 -0.02 0.00 1.00 0.00 0.00 33.01 30.58 1mx7 s GLN 108 CO -0.12 -0.91 -0.09 1.67 -2.12 0.00 0.00 175.29 173.72 1mx7 s TRP 109 N 1.03 2.88 -0.06 0.91 -2.14 -1.13 -2.52 118.94 117.91 1mx7 s TRP 109 Ca 0.07 -0.34 -0.07 0.00 2.66 0.00 0.00 56.10 58.42 1mx7 s TRP 109 Cb -0.20 -1.82 -0.04 0.00 -3.10 0.00 0.00 33.47 28.31 1mx7 s TRP 109 CO -0.06 0.01 0.20 0.42 -2.66 0.00 0.00 176.95 174.86 1mx7 s ILE 110 N -0.04 5.41 -0.35 0.66 1.01 -1.26 -1.31 121.20 125.32 1mx7 s ILE 110 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1mx7 s ILE 110 Cb -0.14 -3.49 0.11 0.00 0.01 0.00 0.00 42.46 38.96 1mx7 s ILE 110 CO 0.03 0.51 0.13 -0.70 0.00 0.00 0.00 174.94 174.91 1mx7 s GLU 111 N -1.36 0.91 5.95 2.79 2.12 -1.12 -4.97 118.70 123.02 1mx7 s GLU 111 Ca 0.21 -1.38 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1mx7 s GLU 111 Cb -0.13 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1mx7 s GLU 111 CO 0.10 -1.03 0.00 0.41 -0.54 0.00 0.00 175.26 174.20 1mx7 n GLY 112 N 4.46 3.44 1.00 -1.50 0.00 -1.26 0.62 105.19 111.95 1mx7 n GLY 112 Ca 0.01 0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.35 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 7.98 2.89 -4.68 1.61 2.03 -1.26 -4.91 116.55 120.21 1mx7 n ASP 113 Ca 0.00 -2.16 -0.25 0.00 0.52 0.00 0.00 54.79 52.91 1mx7 n ASP 113 Cb 0.00 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 1mx7 n ASP 113 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1mx7 n GLU 114 N 0.73 0.72 -3.56 -0.67 -0.58 0.20 -2.02 120.64 115.46 1mx7 n GLU 114 Ca 0.16 -3.25 -0.03 0.00 -0.42 0.00 0.00 57.16 53.62 1mx7 n GLU 114 Cb 0.51 0.34 -0.06 0.00 -0.57 0.00 0.00 31.44 31.67 1mx7 n GLU 114 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1mx7 s LEU 115 N 0.00 -0.99 -0.25 -4.62 2.96 -1.23 -2.79 118.68 111.76 1mx7 s LEU 115 Ca 0.30 1.21 -0.08 0.00 -0.22 0.00 0.00 54.13 55.34 1mx7 s LEU 115 Cb -0.02 1.92 -0.03 0.00 0.50 0.00 0.00 46.19 48.55 1mx7 s LEU 115 CO 0.19 -0.23 0.10 -1.00 -1.32 0.00 0.00 176.35 174.08 1mx7 s HIS 116 N 2.78 3.13 -0.15 5.38 3.76 -0.43 -1.52 115.29 128.25 1mx7 s HIS 116 Ca 0.00 -0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.62 1mx7 s HIS 116 Cb -0.13 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 1mx7 s HIS 116 CO -0.17 -0.25 0.02 -1.17 -0.85 0.00 0.00 174.74 172.31 1mx7 s LEU 117 N 1.50 3.58 -0.34 0.89 2.96 -0.67 -2.82 118.68 123.78 1mx7 s LEU 117 Ca 0.06 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1mx7 s LEU 117 Cb -0.15 -1.87 0.10 0.00 0.50 0.00 0.00 46.19 44.77 1mx7 s LEU 117 CO 0.05 0.23 0.06 -0.70 -1.32 0.00 0.00 176.35 174.66 1mx7 s GLU 118 N 0.04 1.58 -0.10 1.98 2.12 -0.87 -2.09 118.70 121.36 1mx7 s GLU 118 Ca 0.03 -1.85 -0.01 0.00 0.36 0.00 0.00 54.97 53.51 1mx7 s GLU 118 Cb -0.13 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1mx7 s GLU 118 CO 0.02 -0.93 -0.05 1.41 -0.54 0.00 0.00 175.26 175.16 1mx7 s MET 119 N 0.94 3.08 0.08 4.30 1.75 -0.73 -2.00 119.30 126.73 1mx7 s MET 119 Ca 0.10 -0.52 0.08 0.00 -1.25 0.00 0.00 55.69 54.10 1mx7 s MET 119 Cb -0.19 -2.72 -0.03 0.00 2.84 0.00 0.00 34.83 34.72 1mx7 s MET 119 CO -0.07 0.53 -0.22 -0.98 -0.65 0.00 0.00 175.02 173.63 1mx7 s ARG 120 N -0.44 1.29 -0.23 4.11 3.03 -1.03 0.23 118.95 125.92 1mx7 s ARG 120 Ca 0.07 -1.10 -0.14 0.00 2.03 0.00 0.00 55.73 56.59 1mx7 s ARG 120 Cb -0.12 -1.52 0.07 0.00 -1.03 0.00 0.00 34.95 32.34 1mx7 s ARG 120 CO 0.02 0.37 0.57 0.00 -1.13 0.00 0.00 175.30 175.13 1mx7 s ALA 121 N -0.99 -1.49 -0.68 7.88 0.00 0.92 -1.74 121.76 125.65 1mx7 s ALA 121 Ca 0.08 1.97 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1mx7 s ALA 121 Cb -0.10 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1mx7 s ALA 121 CO 0.03 -0.32 0.00 -1.91 0.00 0.00 0.00 175.76 173.56 1mx7 n GLU 122 N 4.07 -2.44 -0.29 0.00 2.13 -1.26 -0.56 120.64 122.28 1mx7 n GLU 122 Ca -0.20 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1mx7 n GLU 122 Cb 0.57 -4.92 0.00 0.00 0.27 0.00 0.00 31.44 27.36 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 -0.67 0.69 3.78 8.31 0.00 -1.24 -4.62 105.19 111.44 1mx7 n GLY 123 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.61 4.26 -0.02 1.61 1.01 0.28 -5.00 120.40 119.92 1mx7 s VAL 124 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1mx7 s VAL 124 Cb 0.00 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1mx7 s VAL 124 CO 0.00 -0.30 0.01 0.28 0.00 0.00 0.00 175.10 175.09 1mx7 s THR 125 N -2.08 0.06 0.07 3.92 -1.32 -1.26 -0.06 115.64 114.97 1mx7 s THR 125 Ca 0.32 0.14 -0.03 0.00 -1.21 0.00 0.00 61.69 60.91 1mx7 s THR 125 Cb -0.08 -0.17 -0.05 0.00 -1.51 0.00 0.00 72.50 70.69 1mx7 s THR 125 CO 0.24 0.11 0.27 0.00 -2.21 0.00 0.00 174.62 173.03 1mx7 s LYS 127 N -2.35 1.56 -0.27 0.00 1.02 -1.22 -1.77 119.74 116.72 1mx7 s LYS 127 Ca 0.35 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 55.47 1mx7 s LYS 127 Cb -0.13 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1mx7 s LYS 127 CO 0.24 -0.55 -0.03 -1.14 -0.92 0.00 0.00 175.35 172.94 1mx7 s GLN 128 N 1.47 2.73 -0.07 1.68 0.74 -0.89 -1.54 119.66 123.78 1mx7 s GLN 128 Ca -0.04 -1.06 -0.18 0.00 0.05 0.00 0.00 55.36 54.14 1mx7 s GLN 128 Cb -0.18 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 1mx7 s GLN 128 CO -0.07 -0.47 0.49 0.08 -0.55 0.00 0.00 175.29 174.77 1mx7 s VAL 129 N 1.32 5.10 0.49 1.34 1.01 -0.65 -1.67 120.40 127.33 1mx7 s VAL 129 Ca -0.01 0.99 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1mx7 s VAL 129 Cb -0.18 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1mx7 s VAL 129 CO -0.03 0.40 0.02 -0.36 0.00 0.00 0.00 175.10 175.13 1mx7 s PHE 130 N 0.11 1.90 -0.25 5.22 0.40 -0.57 -0.07 117.98 124.73 1mx7 s PHE 130 Ca 0.26 -0.98 -0.21 0.00 -0.60 0.00 0.00 56.93 55.40 1mx7 s PHE 130 Cb -0.16 -1.55 0.06 0.00 0.51 0.00 0.00 43.02 41.88 1mx7 s PHE 130 CO 0.12 0.17 0.65 0.21 0.70 0.00 0.00 175.22 177.07 1mx7 s LYS 131 N -3.84 0.74 0.06 0.44 2.20 -1.20 -3.48 119.74 114.67 1mx7 s LYS 131 Ca 0.11 0.93 -0.31 0.00 -0.36 0.00 0.00 55.97 56.35 1mx7 s LYS 131 Cb 0.02 0.33 -0.06 0.00 -1.51 0.00 0.00 37.83 36.62 1mx7 s LYS 131 CO 0.06 -0.10 1.20 0.21 -0.36 0.00 0.00 175.35 176.36 1mx7 s LYS 132 N 0.51 4.43 0.00 4.03 2.20 -0.85 -0.54 119.74 129.52 1mx7 s LYS 132 Ca -0.01 1.77 0.25 0.00 -0.36 0.00 0.00 55.97 57.62 1mx7 s LYS 132 Cb -0.05 -3.34 0.43 0.00 -1.51 0.00 0.00 37.83 33.36 1mx7 s LYS 132 CO -0.02 -0.25 1.39 0.28 -0.36 0.00 0.00 175.35 176.39 1mx7 n VAL 133 N 3.90 0.00 -0.02 4.02 0.31 0.72 -4.90 118.33 122.36 1mx7 n VAL 133 Ca 0.09 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1mx7 n VAL 133 Cb 0.46 1.15 0.00 0.00 -0.91 0.00 0.00 33.84 34.55 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92