#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 0.29 0.00 -1.45 -7.23 -1.26 -5.07 120.40 105.68 1mx7 s VAL 2 Ca 0.00 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1mx7 s VAL 2 Cb 0.00 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1mx7 s VAL 2 CO 0.00 -0.05 0.51 0.47 -0.31 0.00 0.00 175.10 175.72 1mx7 n ASP 3 N -0.35 0.00 0.00 4.85 9.92 -1.26 -4.85 116.55 124.86 1mx7 n ASP 3 Ca 0.00 0.65 0.00 0.00 -0.53 0.00 0.00 54.79 54.91 1mx7 n ASP 3 Cb 0.66 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 1mx7 n ASP 3 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1mx7 n PHE 4 N -1.55 0.00 -1.00 1.24 3.01 -1.26 -4.87 117.46 113.03 1mx7 n PHE 4 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.99 1mx7 n PHE 4 Cb 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.38 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 0.88 0.62 0.00 4.37 4.05 -1.26 -4.69 115.26 119.22 1mx7 n ASN 5 Ca 0.00 0.57 0.00 0.00 0.45 0.00 0.00 54.58 55.60 1mx7 n ASN 5 Cb 0.00 -0.69 0.00 0.00 1.23 0.00 0.00 39.78 40.32 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mx7 n GLY 6 N 5.43 3.98 2.74 8.20 0.00 -1.21 -4.94 105.19 119.39 1mx7 n GLY 6 Ca 0.40 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.10 -1.98 1.61 4.02 -1.26 -4.06 117.16 112.39 1mx7 n TYR 7 Ca 0.00 -1.88 -0.41 0.00 -0.01 0.00 0.00 57.90 55.60 1mx7 n TYR 7 Cb 0.00 1.59 -0.03 0.00 -0.02 0.00 0.00 39.34 40.88 1mx7 n TYR 7 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1mx7 s TRP 8 N 0.51 1.71 -1.76 -0.72 0.51 0.53 -3.22 118.94 116.50 1mx7 s TRP 8 Ca 0.28 0.74 0.02 0.00 -2.12 0.00 0.00 56.10 55.02 1mx7 s TRP 8 Cb 0.25 -4.08 0.07 0.00 -0.81 0.00 0.00 33.47 28.91 1mx7 s TRP 8 CO -0.17 -2.71 0.96 0.36 -0.51 0.00 0.00 176.95 174.88 1mx7 n LYS 9 N 8.71 1.22 -1.49 4.98 2.85 -1.25 0.40 118.16 133.58 1mx7 n LYS 9 Ca 0.23 -0.27 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1mx7 n LYS 9 Cb 0.49 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 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 -0.21 -4.27 -0.08 -1.58 0.00 -1.26 -4.75 117.12 104.97 1mx7 n MET 10 Ca 0.02 3.19 -0.17 0.00 -0.00 0.00 0.00 57.70 60.75 1mx7 n MET 10 Cb 0.12 -3.60 -0.06 0.00 0.00 0.00 0.00 33.22 29.69 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 -0.94 1.10 -3.59 -0.89 0.00 0.28 -4.36 117.00 108.61 1mx7 n LEU 11 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 56.01 56.15 1mx7 n LEU 11 Cb 0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 43.42 42.95 1mx7 n LEU 11 CO 0.00 0.31 0.97 -0.94 0.00 0.00 0.00 177.39 177.73 1mx7 s SER 12 N -6.39 -0.17 0.29 1.96 1.04 -0.10 -4.98 113.70 105.33 1mx7 s SER 12 Ca -0.22 0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.37 1mx7 s SER 12 Cb 0.08 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 1mx7 s SER 12 CO 0.27 -0.26 -0.07 0.21 0.98 0.00 0.00 173.24 174.37 1mx7 s ASN 13 N -1.94 4.12 0.00 7.02 3.84 -1.26 -0.63 114.94 126.09 1mx7 s ASN 13 Ca 0.08 -0.86 0.00 0.00 0.21 0.00 0.00 52.86 52.29 1mx7 s ASN 13 Cb -0.01 -0.58 0.00 0.00 -0.55 0.00 0.00 41.25 40.11 1mx7 s ASN 13 CO -0.05 -0.03 0.00 -0.62 -2.79 0.00 0.00 177.10 173.61 1mx7 n GLU 14 N -0.81 0.00 -0.87 0.43 -0.58 -1.24 -4.92 120.64 112.66 1mx7 n GLU 14 Ca -0.05 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.59 1mx7 n GLU 14 Cb 0.60 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.36 1mx7 n GLU 14 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1mx7 n ASN 15 N -0.06 5.35 -0.08 1.62 4.13 -1.26 -4.63 115.26 120.32 1mx7 n ASN 15 Ca 0.00 -2.50 -0.05 0.00 1.68 0.00 0.00 54.58 53.71 1mx7 n ASN 15 Cb 0.00 -1.32 0.15 0.00 -1.54 0.00 0.00 39.78 37.07 1mx7 n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1mx7 h PHE 16 N 2.37 0.80 0.01 3.10 3.57 -1.95 0.12 116.94 124.97 1mx7 h PHE 16 Ca 0.14 -0.14 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1mx7 h PHE 16 Cb 1.32 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1mx7 h PHE 16 CO 1.29 0.81 -0.91 0.93 -2.23 0.00 0.00 178.31 178.20 1mx7 h GLU 17 N 0.66 0.20 0.00 1.11 5.08 -1.97 -2.83 114.58 116.84 1mx7 h GLU 17 Ca 0.11 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1mx7 h GLU 17 Cb 0.58 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1mx7 h GLU 17 CO 0.04 0.98 -0.46 0.93 -1.00 0.00 0.00 179.01 179.49 1mx7 h GLU 18 N 0.11 0.00 -0.44 2.33 3.07 -1.91 -2.96 114.58 114.78 1mx7 h GLU 18 Ca -0.05 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.69 1mx7 h GLU 18 Cb 1.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.45 1mx7 h GLU 18 CO 0.14 0.46 -0.19 -0.92 -1.40 0.00 0.00 179.01 177.11 1mx7 h TYR 19 N 0.00 1.03 0.00 4.33 3.20 -0.63 -2.79 116.97 122.11 1mx7 h TYR 19 Ca -0.00 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.58 1mx7 h TYR 19 Cb 1.34 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1mx7 h TYR 19 CO 0.00 1.03 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.31 1mx7 h LEU 20 N 0.73 0.00 -0.45 2.82 3.38 -1.52 -3.22 115.31 117.05 1mx7 h LEU 20 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1mx7 h LEU 20 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1mx7 h LEU 20 CO 0.06 0.17 -0.00 -0.09 0.09 0.00 0.00 178.44 178.67 1mx7 h ARG 21 N 0.00 0.80 0.00 1.13 9.65 -1.39 -1.97 114.38 122.61 1mx7 h ARG 21 Ca -0.00 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.61 1mx7 h ARG 21 Cb 1.05 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1mx7 h ARG 21 CO 0.02 0.86 -0.06 0.00 2.80 0.00 0.00 179.97 183.60 1mx7 h ALA 22 N 0.91 1.06 -0.00 2.80 0.00 -1.50 -1.87 119.26 120.65 1mx7 h ALA 22 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mx7 h ALA 22 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1mx7 h ALA 22 CO 0.02 0.07 -0.75 1.28 0.00 0.00 0.00 179.25 179.87 1mx7 n LEU 23 N -3.24 0.86 -3.04 0.00 4.77 -0.99 -4.73 117.00 110.63 1mx7 n LEU 23 Ca -0.01 -0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 55.46 1mx7 n LEU 23 Cb 0.27 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1mx7 n LEU 23 CO 0.27 0.21 0.15 0.47 -1.33 0.00 0.00 177.39 177.16 1mx7 n ASP 24 N -1.39 -5.76 -4.90 -1.43 8.00 -0.71 -5.00 116.55 105.36 1mx7 n ASP 24 Ca 0.05 -0.41 -0.29 0.00 0.71 0.00 0.00 54.79 54.86 1mx7 n ASP 24 Cb 0.34 -4.44 -0.03 0.00 -0.02 0.00 0.00 41.12 36.96 1mx7 n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1mx7 s VAL 25 N -3.23 4.98 1.01 2.53 1.01 -1.03 -5.06 120.40 120.61 1mx7 s VAL 25 Ca 0.44 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 1mx7 s VAL 25 Cb -0.19 -3.72 0.17 0.00 0.00 0.00 0.00 36.38 32.63 1mx7 s VAL 25 CO 0.54 -0.34 0.90 -0.46 0.00 0.00 0.00 175.10 175.75 1mx7 n ASN 26 N -0.94 -0.84 0.19 3.32 6.94 -1.26 -4.83 115.26 117.84 1mx7 n ASN 26 Ca -0.01 0.20 0.05 0.00 -0.02 0.00 0.00 54.58 54.81 1mx7 n ASN 26 Cb 0.54 -1.33 0.34 0.00 -2.36 0.00 0.00 39.78 36.96 1mx7 n ASN 26 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 1mx7 h VAL 27 N -2.08 0.90 -0.31 3.53 2.07 -1.98 -2.80 116.25 115.59 1mx7 h VAL 27 Ca -0.49 -1.52 -0.15 0.00 0.82 0.00 0.00 66.70 65.36 1mx7 h VAL 27 Cb 1.30 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1mx7 h VAL 27 CO 0.42 0.37 -0.41 0.00 0.02 0.00 0.00 177.57 177.96 1mx7 h ALA 28 N 1.62 0.68 0.00 1.67 0.00 -1.98 0.43 119.26 121.68 1mx7 h ALA 28 Ca -0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1mx7 h ALA 28 Cb 0.89 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1mx7 h ALA 28 CO 0.05 0.67 -0.40 1.25 0.00 0.00 0.00 179.25 180.81 1mx7 h LEU 29 N 0.63 0.00 0.15 0.00 6.46 -1.93 -2.93 115.31 117.69 1mx7 h LEU 29 Ca 0.05 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.55 1mx7 h LEU 29 Cb 0.97 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.93 1mx7 h LEU 29 CO 0.09 0.40 -1.10 0.03 -0.62 0.00 0.00 178.44 177.25 1mx7 h ARG 30 N 0.00 0.48 -0.13 1.25 3.08 -1.27 -2.91 114.38 114.88 1mx7 h ARG 30 Ca -0.00 -0.72 -0.01 0.00 0.07 0.00 0.00 59.98 59.32 1mx7 h ARG 30 Cb 1.28 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 1mx7 h ARG 30 CO 0.05 1.32 0.04 -0.22 -1.07 0.00 0.00 179.97 180.10 1mx7 h LYS 31 N 0.00 0.20 -0.18 0.04 3.64 -0.16 -2.61 116.57 117.51 1mx7 h LYS 31 Ca -0.18 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 58.97 1mx7 h LYS 31 Cb 1.83 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1mx7 h LYS 31 CO 0.21 0.32 -0.66 0.82 -2.27 0.00 0.00 179.45 177.88 1mx7 h ILE 32 N 0.04 1.31 -0.37 2.00 1.08 -1.66 -3.30 117.51 116.60 1mx7 h ILE 32 Ca 0.04 -1.90 -0.12 0.00 -0.39 0.00 0.00 64.86 62.49 1mx7 h ILE 32 Cb 0.20 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 1mx7 h ILE 32 CO -0.00 0.60 -0.26 0.00 -0.69 0.00 0.00 178.15 177.80 1mx7 h ALA 33 N 0.76 0.85 -0.31 1.87 0.00 -1.55 -3.21 119.26 117.68 1mx7 h ALA 33 Ca -0.02 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1mx7 h ALA 33 Cb 1.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1mx7 h ALA 33 CO 0.13 0.64 0.22 -2.95 0.00 0.00 0.00 179.25 177.28 1mx7 h ASN 34 N 0.66 0.15 1.37 0.00 -1.07 -1.54 -2.40 115.58 112.75 1mx7 h ASN 34 Ca 0.08 -0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.34 1mx7 h ASN 34 Cb 0.78 -0.03 -0.02 0.00 -2.07 0.00 0.00 38.32 36.98 1mx7 h ASN 34 CO 0.06 0.10 -0.64 -0.07 0.07 0.00 0.00 177.43 176.95 1mx7 h LEU 35 N 0.17 0.00-10.16 6.14 3.38 -1.70 -3.46 115.31 109.69 1mx7 h LEU 35 Ca 0.14 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.61 1mx7 h LEU 35 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1mx7 h LEU 35 CO -0.02 0.53 -0.30 -0.76 0.09 0.00 0.00 178.44 177.98 1mx7 s LEU 36 N -6.38 4.17 -0.03 1.67 1.43 -0.90 -5.11 118.68 113.52 1mx7 s LEU 36 Ca 0.03 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1mx7 s LEU 36 Cb 0.08 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 43.15 1mx7 s LEU 36 CO 0.76 -0.14 0.19 -0.54 0.23 0.00 0.00 176.35 176.84 1mx7 s LYS 37 N -3.84 0.41 0.13 1.70 1.02 -1.26 -4.93 119.74 112.98 1mx7 s LYS 37 Ca 0.38 -0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.29 1mx7 s LYS 37 Cb -0.10 0.18 0.02 0.00 -0.52 0.00 0.00 37.83 37.41 1mx7 s LYS 37 CO 0.32 -0.09 0.18 -0.35 -0.92 0.00 0.00 175.35 174.49 1mx7 n PRO 38 N 2.03 0.93 -3.81 -1.68 -0.04 -1.26 -5.00 135.00 126.16 1mx7 n PRO 38 Ca -0.19 -0.73 -0.13 0.00 -0.04 0.00 0.00 63.50 62.42 1mx7 n PRO 38 Cb 0.57 -0.05 -0.14 0.00 -0.04 0.00 0.00 33.50 33.84 1mx7 n PRO 38 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mx7 s ASP 39 N -1.83 -0.10 -0.25 3.54 1.11 -1.26 -4.50 116.67 113.38 1mx7 s ASP 39 Ca 0.14 0.23 0.02 0.00 0.18 0.00 0.00 52.55 53.12 1mx7 s ASP 39 Cb -0.01 0.19 0.05 0.00 1.07 0.00 0.00 42.92 44.22 1mx7 s ASP 39 CO 0.09 -0.07 -0.12 -0.75 1.18 0.00 0.00 175.17 175.49 1mx7 s LYS 40 N 0.42 2.42 -0.16 8.23 2.20 0.16 -1.92 119.74 131.10 1mx7 s LYS 40 Ca -0.03 -1.23 -0.06 0.00 -0.36 0.00 0.00 55.97 54.29 1mx7 s LYS 40 Cb -0.04 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1mx7 s LYS 40 CO -0.02 -0.50 0.03 -1.83 -0.36 0.00 0.00 175.35 172.68 1mx7 s GLU 41 N 1.15 3.72 0.30 4.03 4.04 -1.24 -0.35 118.70 130.35 1mx7 s GLU 41 Ca -0.06 -0.39 0.10 0.00 0.04 0.00 0.00 54.97 54.66 1mx7 s GLU 41 Cb -0.19 -3.07 -0.05 0.00 0.02 0.00 0.00 34.13 30.85 1mx7 s GLU 41 CO -0.06 0.36 -0.02 0.42 -1.84 0.00 0.00 175.26 174.12 1mx7 s ILE 42 N 0.10 2.99 -0.09 1.83 1.01 -1.26 -3.64 121.20 122.14 1mx7 s ILE 42 Ca 0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 60.65 58.65 1mx7 s ILE 42 Cb -0.13 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.64 1mx7 s ILE 42 CO 0.01 -0.31 0.19 -0.69 0.00 0.00 0.00 174.94 174.14 1mx7 s VAL 43 N -2.43 -0.23 -0.31 2.92 1.01 -1.18 -3.33 120.40 116.86 1mx7 s VAL 43 Ca 0.33 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1mx7 s VAL 43 Cb -0.04 -0.32 0.08 0.00 0.00 0.00 0.00 36.38 36.10 1mx7 s VAL 43 CO 0.19 0.12 -0.02 -1.58 0.00 0.00 0.00 175.10 173.81 1mx7 s GLN 44 N 1.98 1.80 -0.94 2.72 0.74 -1.26 -2.60 119.66 122.10 1mx7 s GLN 44 Ca -0.01 -1.66 -0.12 0.00 0.05 0.00 0.00 55.36 53.62 1mx7 s GLN 44 Cb -0.12 -3.08 0.24 0.00 1.10 0.00 0.00 33.01 31.15 1mx7 s GLN 44 CO -0.07 -0.79 0.91 0.34 -0.55 0.00 0.00 175.29 175.14 1mx7 s ASP 45 N 0.99 6.98 1.50 6.67 2.15 -1.09 -4.92 116.67 128.95 1mx7 s ASP 45 Ca 0.03 -3.03 0.00 0.00 0.43 0.00 0.00 52.55 49.97 1mx7 s ASP 45 Cb -0.19 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1mx7 s ASP 45 CO -0.07 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.07 1mx7 n GLY 46 N 3.51 1.93 0.00 2.66 0.00 -1.26 -1.80 105.19 110.23 1mx7 n GLY 46 Ca 0.18 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1mx7 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mx7 n ASP 47 N 10.52 0.91 -4.60 1.61 5.68 -1.26 -4.91 116.55 124.50 1mx7 n ASP 47 Ca 0.00 -0.63 -0.43 0.00 -0.50 0.00 0.00 54.79 53.23 1mx7 n ASP 47 Cb 0.00 1.15 -0.02 0.00 -1.14 0.00 0.00 41.12 41.11 1mx7 n ASP 47 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1mx7 s HIS 48 N -2.45 2.33 0.10 2.11 3.76 -0.74 -2.57 115.29 117.82 1mx7 s HIS 48 Ca 0.03 0.65 -0.21 0.00 -0.15 0.00 0.00 55.06 55.38 1mx7 s HIS 48 Cb 0.10 -4.30 -0.07 0.00 1.11 0.00 0.00 32.58 29.42 1mx7 s HIS 48 CO 0.56 -2.07 0.63 1.41 -0.85 0.00 0.00 174.74 174.42 1mx7 s MET 49 N 5.08 4.30 -0.18 1.40 1.75 0.39 -2.67 119.30 129.36 1mx7 s MET 49 Ca 0.62 0.85 -0.03 0.00 -1.25 0.00 0.00 55.69 55.89 1mx7 s MET 49 Cb -0.14 -3.24 0.06 0.00 2.84 0.00 0.00 34.83 34.34 1mx7 s MET 49 CO 0.32 0.62 0.04 0.42 -0.65 0.00 0.00 175.02 175.77 1mx7 s ILE 50 N -1.12 0.47 -0.17 10.11 1.01 -1.07 0.89 121.20 131.32 1mx7 s ILE 50 Ca 0.31 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 1mx7 s ILE 50 Cb -0.20 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1mx7 s ILE 50 CO 0.21 -0.18 0.12 -0.63 0.00 0.00 0.00 174.94 174.46 1mx7 s ILE 51 N 1.89 5.32 -0.41 2.92 1.09 -1.20 -3.07 121.20 127.75 1mx7 s ILE 51 Ca -0.00 0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.71 1mx7 s ILE 51 Cb -0.17 -3.39 0.14 0.00 -1.06 0.00 0.00 42.46 37.99 1mx7 s ILE 51 CO -0.08 0.50 0.25 0.00 -0.10 0.00 0.00 174.94 175.50 1mx7 s ARG 52 N -0.05 0.95 -0.41 2.79 1.70 -1.24 -3.05 118.95 119.65 1mx7 s ARG 52 Ca 0.09 -1.76 -0.29 0.00 -0.47 0.00 0.00 55.73 53.31 1mx7 s ARG 52 Cb -0.11 -1.80 0.02 0.00 -0.57 0.00 0.00 34.95 32.49 1mx7 s ARG 52 CO -0.00 -1.21 1.10 0.99 -1.08 0.00 0.00 175.30 175.10 1mx7 s THR 53 N 0.58 4.34 -1.51 4.99 2.01 -1.26 -3.72 115.64 121.08 1mx7 s THR 53 Ca 0.20 1.42 -0.10 0.00 0.31 0.00 0.00 61.69 63.52 1mx7 s THR 53 Cb -0.20 -4.52 -0.07 0.00 0.01 0.00 0.00 72.50 67.73 1mx7 s THR 53 CO -0.02 -0.78 2.73 0.18 -0.69 0.00 0.00 174.62 176.03 1mx7 n LEU 54 N 7.41 7.95 -4.45 4.42 4.77 -0.81 -3.85 117.00 132.45 1mx7 n LEU 54 Ca 0.12 -4.14 -0.44 0.00 -0.03 0.00 0.00 56.01 51.52 1mx7 n LEU 54 Cb 0.48 -1.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.04 1mx7 n LEU 54 CO 0.66 1.71 1.15 -0.44 -1.33 0.00 0.00 177.39 179.14 1mx7 s SER 55 N 2.54 6.89 -0.28 -1.43 0.01 -1.26 -4.39 113.70 115.78 1mx7 s SER 55 Ca 0.63 -2.63 -0.28 0.00 1.31 0.00 0.00 55.95 54.97 1mx7 s SER 55 Cb 0.16 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1mx7 s SER 55 CO -0.06 -0.84 1.86 0.42 0.41 0.00 0.00 173.24 175.03 1mx7 s THR 56 N 1.81 3.40 0.00 1.44 -4.23 -1.26 -2.43 115.64 114.36 1mx7 s THR 56 Ca 0.37 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1mx7 s THR 56 Cb -0.04 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1mx7 s THR 56 CO -0.05 -0.30 0.00 0.33 -0.54 0.00 0.00 174.62 174.07 1mx7 n PHE 57 N 10.19 0.00 -2.96 3.99 7.35 -1.26 -4.97 117.46 129.80 1mx7 n PHE 57 Ca 0.24 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.79 1mx7 n PHE 57 Cb 0.46 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.27 1mx7 n PHE 57 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1mx7 n ARG 58 N 0.00 0.56 -0.53 -4.13 3.00 -1.04 -5.15 116.66 109.37 1mx7 n ARG 58 Ca 0.00 -2.38 -0.30 0.00 -0.00 0.00 0.00 57.85 55.16 1mx7 n ARG 58 Cb 0.00 -1.47 0.28 0.00 0.00 0.00 0.00 32.46 31.27 1mx7 n ARG 58 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1mx7 s ASN 59 N -0.36 -0.54 0.00 6.15 -0.87 -1.02 -4.88 114.94 113.41 1mx7 s ASN 59 Ca 0.32 0.85 0.00 0.00 -1.57 0.00 0.00 52.86 52.46 1mx7 s ASN 59 Cb 0.10 -1.22 0.00 0.00 -0.02 0.00 0.00 41.25 40.11 1mx7 s ASN 59 CO -0.15 -5.05 0.00 -1.22 -2.57 0.00 0.00 177.10 168.12 1mx7 n TYR 60 N -5.42 0.00 0.00 2.20 4.01 -1.25 -5.02 117.16 111.68 1mx7 n TYR 60 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1mx7 n TYR 60 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 1mx7 n TYR 60 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1mx7 n ILE 61 N 0.00 0.00 -4.02 -0.72 5.41 -1.25 -4.92 119.36 113.86 1mx7 n ILE 61 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1mx7 n ILE 61 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1mx7 n ILE 61 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1mx7 s MET 62 N -4.22 1.52 -0.44 0.38 -1.94 -1.17 -5.03 119.30 108.40 1mx7 s MET 62 Ca 0.00 -1.29 0.09 0.00 -1.71 0.00 0.00 55.69 52.78 1mx7 s MET 62 Cb 0.00 0.45 0.31 0.00 2.01 0.00 0.00 34.83 37.60 1mx7 s MET 62 CO 0.00 -0.62 0.71 -0.25 -0.01 0.00 0.00 175.02 174.85 1mx7 n ASP 63 N -0.38 1.56 -4.63 3.03 9.92 -1.26 -3.20 116.55 121.58 1mx7 n ASP 63 Ca -0.01 -3.08 -0.29 0.00 -0.53 0.00 0.00 54.79 50.88 1mx7 n ASP 63 Cb 0.62 -0.62 0.18 0.00 -0.64 0.00 0.00 41.12 40.66 1mx7 n ASP 63 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1mx7 s PHE 64 N -2.26 1.85 -0.05 1.24 0.40 0.26 -4.77 117.98 114.65 1mx7 s PHE 64 Ca 0.40 1.32 -0.00 0.00 -0.60 0.00 0.00 56.93 58.05 1mx7 s PHE 64 Cb 0.27 -3.18 0.03 0.00 0.51 0.00 0.00 43.02 40.64 1mx7 s PHE 64 CO -0.09 -2.99 -0.01 -0.65 0.70 0.00 0.00 175.22 172.18 1mx7 s GLN 65 N -4.73 0.55 0.21 0.44 -0.21 -1.26 0.15 119.66 114.81 1mx7 s GLN 65 Ca 0.66 0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.80 1mx7 s GLN 65 Cb -0.21 -0.78 -0.09 0.00 1.00 0.00 0.00 33.01 32.92 1mx7 s GLN 65 CO 0.60 -0.20 1.31 0.08 -2.12 0.00 0.00 175.29 174.95 1mx7 s VAL 66 N 1.46 3.17 0.00 1.09 1.01 -1.06 -2.83 120.40 123.24 1mx7 s VAL 66 Ca -0.03 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1mx7 s VAL 66 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1mx7 s VAL 66 CO -0.03 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1mx7 n GLY 67 N 2.23 2.78 3.75 4.51 0.00 -1.22 -5.01 105.19 112.22 1mx7 n GLY 67 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1mx7 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx7 s LYS 68 N -0.28 4.28 -0.04 1.61 1.02 -1.13 -4.95 119.74 120.24 1mx7 s LYS 68 Ca 0.00 0.50 -0.30 0.00 0.02 0.00 0.00 55.97 56.19 1mx7 s LYS 68 Cb 0.00 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1mx7 s LYS 68 CO 0.00 0.27 1.24 -2.00 -0.92 0.00 0.00 175.35 173.94 1mx7 s GLU 69 N 0.23 4.34 0.00 1.68 2.12 -1.26 -4.24 118.70 121.58 1mx7 s GLU 69 Ca 0.27 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.32 1mx7 s GLU 69 Cb -0.16 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1mx7 s GLU 69 CO 0.12 -0.47 0.00 1.19 -0.54 0.00 0.00 175.26 175.56 1mx7 n PHE 70 N 5.22 0.00 -3.50 5.30 3.01 0.42 -5.01 117.46 122.90 1mx7 n PHE 70 Ca 0.11 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.54 1mx7 n PHE 70 Cb 0.46 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.87 1mx7 n PHE 70 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1mx7 s GLU 71 N -1.13 0.48 -0.51 -1.08 -1.05 -1.26 -2.16 118.70 111.98 1mx7 s GLU 71 Ca 0.00 1.12 -0.29 0.00 -0.15 0.00 0.00 54.97 55.66 1mx7 s GLU 71 Cb 0.00 0.48 0.03 0.00 -0.44 0.00 0.00 34.13 34.20 1mx7 s GLU 71 CO 0.00 -0.37 1.22 -1.21 0.95 0.00 0.00 175.26 175.85 1mx7 s GLU 72 N 2.77 3.60 0.50 -4.83 2.02 -1.26 -4.87 118.70 116.63 1mx7 s GLU 72 Ca 0.04 0.50 0.16 0.00 0.02 0.00 0.00 54.97 55.69 1mx7 s GLU 72 Cb -0.13 -3.98 1.20 0.00 0.10 0.00 0.00 34.13 31.32 1mx7 s GLU 72 CO -0.17 -1.55 2.10 0.38 0.02 0.00 0.00 175.26 176.03 1mx7 h ASP 73 N 9.69 0.00 0.00 -0.19 3.04 -1.92 -3.22 116.42 123.83 1mx7 h ASP 73 Ca -0.25 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.54 1mx7 h ASP 73 Cb 1.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.36 1mx7 h ASP 73 CO 1.15 0.07 0.00 -0.11 -2.04 0.00 0.00 179.24 178.30 1mx7 n LEU 74 N -4.42 0.00 -0.68 0.15 -0.00 -1.26 -4.16 117.00 106.63 1mx7 n LEU 74 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1mx7 n LEU 74 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1mx7 n LEU 74 CO 0.34 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 178.14 1mx7 n THR 75 N 0.00 0.00 0.00 1.96 -1.04 -1.26 -4.47 114.28 109.47 1mx7 n THR 75 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1mx7 n THR 75 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1mx7 n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1mx7 n GLY 76 N 0.10 -1.50 3.08 3.41 0.00 -1.26 -4.98 105.19 104.05 1mx7 n GLY 76 Ca 0.00 0.45 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 1mx7 n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mx7 s ILE 77 N 0.00 2.46 0.00 -0.61 1.01 -1.26 -4.79 121.20 118.01 1mx7 s ILE 77 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 58.83 1mx7 s ILE 77 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1mx7 s ILE 77 CO 0.00 -0.26 0.00 -0.90 0.00 0.00 0.00 174.94 173.78 1mx7 n ASP 78 N 4.43 0.00 -1.70 3.58 5.75 -1.26 -4.78 116.55 122.58 1mx7 n ASP 78 Ca -0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.69 1mx7 n ASP 78 Cb 0.42 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.50 1mx7 n ASP 78 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1mx7 n ASP 79 N 2.99 -2.13 -3.57 -1.12 8.00 -1.26 -5.01 116.55 114.44 1mx7 n ASP 79 Ca 0.00 0.41 -0.01 0.00 0.71 0.00 0.00 54.79 55.90 1mx7 n ASP 79 Cb 0.00 -2.17 -0.05 0.00 -0.02 0.00 0.00 41.12 38.88 1mx7 n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1mx7 s ARG 80 N -1.08 0.49 0.49 -1.24 3.52 -1.26 -4.88 118.95 114.98 1mx7 s ARG 80 Ca -0.06 1.16 -0.19 0.00 -0.13 0.00 0.00 55.73 56.51 1mx7 s ARG 80 Cb 0.00 0.60 -0.09 0.00 -1.56 0.00 0.00 34.95 33.91 1mx7 s ARG 80 CO 0.17 -0.16 0.98 -1.59 -0.81 0.00 0.00 175.30 173.89 1mx7 s LYS 81 N 2.50 4.00 0.00 5.12 0.00 -1.26 -4.43 119.74 125.68 1mx7 s LYS 81 Ca -0.06 1.07 0.00 0.00 0.00 0.00 0.00 55.97 56.98 1mx7 s LYS 81 Cb -0.09 -2.14 0.00 0.00 0.00 0.00 0.00 37.83 35.60 1mx7 s LYS 81 CO -0.18 -0.23 0.00 0.00 0.00 0.00 0.00 175.35 174.93 1mx7 s MET 83 N -1.57 0.73 -0.14 0.00 -1.94 -1.20 -4.27 119.30 110.91 1mx7 s MET 83 Ca 0.00 -1.18 -0.03 0.00 -1.71 0.00 0.00 55.69 52.77 1mx7 s MET 83 Cb 0.00 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 1mx7 s MET 83 CO 0.00 -1.04 -0.04 0.99 -0.01 0.00 0.00 175.02 174.93 1mx7 s THR 84 N 1.42 3.92 -0.07 2.05 2.01 -0.92 -3.05 115.64 121.00 1mx7 s THR 84 Ca 0.12 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1mx7 s THR 84 Cb -0.19 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.62 1mx7 s THR 84 CO -0.20 0.51 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.16 1mx7 s THR 85 N 0.15 1.65 0.09 -0.82 2.01 -1.20 -0.44 115.64 117.08 1mx7 s THR 85 Ca -0.01 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1mx7 s THR 85 Cb -0.14 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1mx7 s THR 85 CO 0.03 0.47 0.26 0.54 -0.69 0.00 0.00 174.62 175.22 1mx7 s VAL 86 N 0.34 5.33 0.15 3.82 0.11 -1.26 -2.51 120.40 126.37 1mx7 s VAL 86 Ca -0.13 -0.30 -0.20 0.00 -2.93 0.00 0.00 61.98 58.41 1mx7 s VAL 86 Cb -0.16 -3.64 0.05 0.00 -1.53 0.00 0.00 36.38 31.11 1mx7 s VAL 86 CO 0.06 0.10 0.52 -0.44 -3.33 0.00 0.00 175.10 172.00 1mx7 s SER 87 N -2.54 -0.43 -0.06 3.54 0.01 -0.90 -3.44 113.70 109.88 1mx7 s SER 87 Ca 0.36 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.53 1mx7 s SER 87 Cb -0.13 0.55 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 1mx7 s SER 87 CO 0.27 -0.93 -0.22 -1.66 0.41 0.00 0.00 173.24 171.11 1mx7 s TRP 88 N -3.78 2.51 -0.18 2.43 -2.14 -1.26 -1.65 118.94 114.87 1mx7 s TRP 88 Ca 0.02 -0.57 -0.16 0.00 2.66 0.00 0.00 56.10 58.05 1mx7 s TRP 88 Cb 0.00 -1.62 -0.07 0.00 -3.10 0.00 0.00 33.47 28.69 1mx7 s TRP 88 CO -0.12 -0.12 -0.33 -3.47 -2.66 0.00 0.00 176.95 170.25 1mx7 n ASP 89 N 2.82 1.87 0.00 -2.66 2.03 -1.26 -4.98 116.55 114.38 1mx7 n ASP 89 Ca -0.17 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1mx7 n ASP 89 Cb 0.52 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 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 1.55 2.81 0.23 0.27 0.00 -1.26 -4.97 105.19 103.82 1mx7 n GLY 90 Ca -0.21 0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.01 1mx7 n GLY 90 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1mx7 h ASP 91 N 0.00 0.00 -3.81 1.61 2.03 -1.98 -3.44 116.42 110.84 1mx7 h ASP 91 Ca 0.00 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.10 1mx7 h ASP 91 Cb 0.00 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.55 1mx7 h ASP 91 CO 0.00 0.00 0.10 0.29 -1.03 0.00 0.00 179.24 178.60 1mx7 n LYS 92 N -2.83 0.01 -3.68 4.15 5.02 -1.26 -4.65 118.16 114.92 1mx7 n LYS 92 Ca 0.01 -1.12 -0.10 0.00 -2.02 0.00 0.00 58.31 55.08 1mx7 n LYS 92 Cb 0.29 -0.40 -0.11 0.00 -0.02 0.00 0.00 35.03 34.79 1mx7 n LYS 92 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1mx7 s LEU 93 N 0.00 -0.33 0.27 -0.35 1.98 -1.22 -4.12 118.68 114.92 1mx7 s LEU 93 Ca 0.31 0.89 0.09 0.00 -2.89 0.00 0.00 54.13 52.53 1mx7 s LEU 93 Cb -0.01 1.27 -0.04 0.00 0.66 0.00 0.00 46.19 48.06 1mx7 s LEU 93 CO 0.21 -0.21 0.05 -1.10 -1.89 0.00 0.00 176.35 173.41 1mx7 s GLN 94 N 2.01 2.42 -0.02 1.98 -1.52 -0.66 -0.93 119.66 122.94 1mx7 s GLN 94 Ca -0.05 -1.37 -0.01 0.00 -1.95 0.00 0.00 55.36 51.98 1mx7 s GLN 94 Cb -0.10 -2.24 0.02 0.00 -0.22 0.00 0.00 33.01 30.47 1mx7 s GLN 94 CO -0.12 0.34 0.04 0.00 -0.25 0.00 0.00 175.29 175.30 1mx7 s VAL 96 N 0.51 2.56 -1.22 0.00 1.01 -1.05 -3.34 120.40 118.87 1mx7 s VAL 96 Ca -0.04 -3.19 -0.09 0.00 0.00 0.00 0.00 61.98 58.65 1mx7 s VAL 96 Cb -0.06 -2.79 0.20 0.00 0.00 0.00 0.00 36.38 33.73 1mx7 s VAL 96 CO -0.02 -0.77 1.69 1.67 0.00 0.00 0.00 175.10 177.67 1mx7 n GLN 97 N 3.26 3.74 -2.15 2.72 7.27 -1.26 -3.25 117.38 127.71 1mx7 n GLN 97 Ca 0.05 -3.82 -0.30 0.00 0.07 0.00 0.00 57.00 53.00 1mx7 n GLN 97 Cb 0.33 -2.85 -0.04 0.00 2.41 0.00 0.00 30.24 30.09 1mx7 n GLN 97 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1mx7 s LYS 98 N -0.10 2.76 -0.40 3.69 2.20 -1.17 -4.28 119.74 122.44 1mx7 s LYS 98 Ca 0.38 -0.37 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 1mx7 s LYS 98 Cb 0.06 -5.05 0.16 0.00 -1.51 0.00 0.00 37.83 31.49 1mx7 s LYS 98 CO 0.02 -3.09 0.31 0.20 -0.36 0.00 0.00 175.35 172.43 1mx7 s GLY 99 N 7.40 1.13 0.35 5.54 0.00 -1.26 -3.25 107.32 117.23 1mx7 s GLY 99 Ca 0.65 -2.33 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1mx7 s GLY 99 CO -0.01 2.11 0.00 1.18 0.00 0.00 0.00 173.10 176.39 1mx7 n GLU 100 N 3.10 -2.87 -1.18 2.90 -0.58 -1.26 -5.01 120.64 115.74 1mx7 n GLU 100 Ca 0.26 1.93 0.15 0.00 -0.42 0.00 0.00 57.16 59.08 1mx7 n GLU 100 Cb 0.46 -3.49 -0.05 0.00 -0.57 0.00 0.00 31.44 27.79 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1mx7 n LYS 101 N -4.15 -2.35 -3.74 3.49 5.02 -1.26 -4.78 118.16 110.38 1mx7 n LYS 101 Ca 0.00 1.65 -0.37 0.00 -2.02 0.00 0.00 58.31 57.57 1mx7 n LYS 101 Cb 0.67 -2.89 -0.12 0.00 -0.02 0.00 0.00 35.03 32.66 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 -2.56 3.31 0.00 1.97 2.02 -1.26 -4.76 118.70 117.42 1mx7 s GLU 102 Ca 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1mx7 s GLU 102 Cb 0.00 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1mx7 s GLU 102 CO 0.00 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1mx7 n GLY 103 N 4.90 0.50 3.04 -1.39 0.00 -1.26 -3.45 105.19 107.53 1mx7 n GLY 103 Ca -0.15 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1mx7 n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mx7 s ARG 104 N -2.48 1.12 0.00 1.61 0.52 -1.26 -2.05 118.95 116.40 1mx7 s ARG 104 Ca 0.00 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1mx7 s ARG 104 Cb 0.00 -1.03 0.00 0.00 0.52 0.00 0.00 34.95 34.44 1mx7 s ARG 104 CO 0.00 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.89 1mx7 n GLY 105 N 3.18 3.79 3.70 -3.53 0.00 -1.20 -4.07 105.19 107.06 1mx7 n GLY 105 Ca -0.17 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1mx7 n GLY 105 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mx7 s TRP 106 N -2.00 2.18 -0.17 1.61 0.52 -1.21 -2.75 118.94 117.11 1mx7 s TRP 106 Ca 0.00 -0.82 -0.09 0.00 0.02 0.00 0.00 56.10 55.22 1mx7 s TRP 106 Cb 0.00 -1.70 0.06 0.00 -1.15 0.00 0.00 33.47 30.69 1mx7 s TRP 106 CO 0.00 0.33 0.41 0.99 0.02 0.00 0.00 176.95 178.70 1mx7 s THR 107 N -2.79 -0.13 0.20 2.01 2.01 -1.13 -2.95 115.64 112.85 1mx7 s THR 107 Ca 0.20 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.37 1mx7 s THR 107 Cb 0.06 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 1mx7 s THR 107 CO 0.10 0.04 0.14 -1.10 -0.69 0.00 0.00 174.62 173.12 1mx7 s GLN 108 N 1.60 2.84 -0.30 4.92 -1.52 -0.10 -1.21 119.66 125.89 1mx7 s GLN 108 Ca -0.08 -0.97 -0.16 0.00 -1.95 0.00 0.00 55.36 52.21 1mx7 s GLN 108 Cb -0.09 -2.58 0.17 0.00 -0.22 0.00 0.00 33.01 30.29 1mx7 s GLN 108 CO -0.13 0.45 1.05 -0.46 -0.25 0.00 0.00 175.29 175.96 1mx7 s TRP 109 N -1.88 -0.55 0.12 0.91 -0.11 -1.24 -3.40 118.94 112.79 1mx7 s TRP 109 Ca 0.31 0.92 -0.00 0.00 1.22 0.00 0.00 56.10 58.55 1mx7 s TRP 109 Cb -0.09 0.32 -0.04 0.00 -1.50 0.00 0.00 33.47 32.15 1mx7 s TRP 109 CO 0.23 -0.27 0.29 0.42 -4.62 0.00 0.00 176.95 173.00 1mx7 s ILE 110 N 2.40 5.30 0.00 5.86 1.01 -1.26 0.38 121.20 134.89 1mx7 s ILE 110 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1mx7 s ILE 110 Cb -0.05 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1mx7 s ILE 110 CO -0.17 0.01 0.00 -0.62 0.00 0.00 0.00 174.94 174.16 1mx7 n GLU 111 N -0.13 1.12 0.28 2.79 1.02 -1.16 -4.91 120.64 119.65 1mx7 n GLU 111 Ca -0.05 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1mx7 n GLU 111 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.88 1mx7 n GLU 111 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1mx7 h GLY 112 N 0.00 -0.79 -0.30 0.62 0.00 -2.02 -3.38 103.07 97.21 1mx7 h GLY 112 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1mx7 h GLY 112 CO 0.00 -0.29 0.00 1.22 0.00 0.00 0.00 176.54 177.47 1mx7 n ASP 113 N -5.28 2.18 0.00 0.19 8.00 -1.26 -5.00 116.55 115.38 1mx7 n ASP 113 Ca -0.10 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.43 1mx7 n ASP 113 Cb 0.31 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1mx7 n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mx7 n GLU 114 N -0.24 2.29 -3.64 -1.24 1.02 -1.26 -0.86 120.64 116.71 1mx7 n GLU 114 Ca 0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.13 1mx7 n GLU 114 Cb 0.28 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.64 1mx7 n GLU 114 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1mx7 s LEU 115 N 0.00 -0.35 -0.63 -4.62 0.20 -0.95 -3.00 118.68 109.33 1mx7 s LEU 115 Ca 0.00 0.61 0.02 0.00 0.69 0.00 0.00 54.13 55.45 1mx7 s LEU 115 Cb 0.00 1.58 0.16 0.00 -0.43 0.00 0.00 46.19 47.50 1mx7 s LEU 115 CO 0.00 -0.10 0.41 -1.00 -0.29 0.00 0.00 176.35 175.37 1mx7 s HIS 116 N 0.76 3.40 0.11 5.38 3.76 0.16 -2.62 115.29 126.24 1mx7 s HIS 116 Ca -0.03 -3.11 -0.06 0.00 -0.15 0.00 0.00 55.06 51.71 1mx7 s HIS 116 Cb -0.04 -2.92 -0.06 0.00 1.11 0.00 0.00 32.58 30.67 1mx7 s HIS 116 CO -0.12 -0.71 0.37 -1.17 -0.85 0.00 0.00 174.74 172.26 1mx7 s LEU 117 N -0.65 4.30 0.17 0.89 2.96 -1.18 -3.60 118.68 121.56 1mx7 s LEU 117 Ca 0.20 0.65 0.07 0.00 -0.22 0.00 0.00 54.13 54.83 1mx7 s LEU 117 Cb -0.17 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 1mx7 s LEU 117 CO -0.06 0.11 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.31 1mx7 s GLU 118 N -2.35 1.22 -0.14 1.98 2.02 -0.35 -2.86 118.70 118.23 1mx7 s GLU 118 Ca 0.37 -1.44 -0.04 0.00 0.02 0.00 0.00 54.97 53.89 1mx7 s GLU 118 Cb -0.13 -1.10 0.06 0.00 0.10 0.00 0.00 34.13 33.07 1mx7 s GLU 118 CO 0.22 0.20 0.15 -1.64 0.02 0.00 0.00 175.26 174.21 1mx7 s MET 119 N -3.15 0.08 -0.18 1.61 -1.94 0.00 -2.84 119.30 112.88 1mx7 s MET 119 Ca 0.17 0.27 -0.07 0.00 -1.71 0.00 0.00 55.69 54.35 1mx7 s MET 119 Cb -0.03 -0.99 -0.04 0.00 2.01 0.00 0.00 34.83 35.79 1mx7 s MET 119 CO 0.05 -0.51 0.05 0.50 -0.01 0.00 0.00 175.02 175.10 1mx7 s ARG 120 N 2.25 3.92 -0.16 2.03 3.52 -1.11 -2.37 118.95 127.03 1mx7 s ARG 120 Ca 0.04 -0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 55.22 1mx7 s ARG 120 Cb -0.14 -3.17 0.08 0.00 -1.56 0.00 0.00 34.95 30.16 1mx7 s ARG 120 CO -0.08 0.26 0.31 0.00 -0.81 0.00 0.00 175.30 174.98 1mx7 s ALA 121 N 0.38 -0.72 -1.45 6.12 0.00 -1.06 -3.23 121.76 121.80 1mx7 s ALA 121 Ca 0.02 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 1mx7 s ALA 121 Cb -0.13 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.90 1mx7 s ALA 121 CO 0.01 -0.74 0.14 -1.91 0.00 0.00 0.00 175.76 173.25 1mx7 n GLU 122 N 5.36 -0.90 -0.26 0.00 2.13 -0.87 -0.08 120.64 126.03 1mx7 n GLU 122 Ca -0.07 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1mx7 n GLU 122 Cb 0.50 -3.42 0.00 0.00 0.27 0.00 0.00 31.44 28.78 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 -2.05 0.99 3.91 8.31 0.00 -1.22 -4.98 105.19 110.15 1mx7 n GLY 123 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1mx7 n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mx7 s VAL 124 N -2.70 5.23 -0.28 1.61 0.11 0.89 -5.09 120.40 120.17 1mx7 s VAL 124 Ca 0.00 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1mx7 s VAL 124 Cb 0.00 -3.66 0.09 0.00 -1.53 0.00 0.00 36.38 31.28 1mx7 s VAL 124 CO 0.00 -0.02 0.09 -0.89 -3.33 0.00 0.00 175.10 170.96 1mx7 s THR 125 N -1.70 0.55 -0.09 5.04 2.01 -1.26 -2.55 115.64 117.63 1mx7 s THR 125 Ca 0.39 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1mx7 s THR 125 Cb -0.12 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1mx7 s THR 125 CO 0.27 -0.57 -0.15 0.00 -0.69 0.00 0.00 174.62 173.47 1mx7 s LYS 127 N -0.12 1.90 -0.37 0.00 1.02 -1.26 -0.82 119.74 120.09 1mx7 s LYS 127 Ca -0.02 -0.44 -0.14 0.00 0.02 0.00 0.00 55.97 55.39 1mx7 s LYS 127 Cb -0.14 -1.68 -0.00 0.00 -0.52 0.00 0.00 37.83 35.49 1mx7 s LYS 127 CO 0.04 -0.10 0.29 -0.65 -0.92 0.00 0.00 175.35 174.01 1mx7 s GLN 128 N 1.10 3.34 -0.20 1.68 -1.52 -1.13 -3.62 119.66 119.31 1mx7 s GLN 128 Ca -0.05 -0.71 -0.13 0.00 -1.95 0.00 0.00 55.36 52.51 1mx7 s GLN 128 Cb -0.14 -3.87 -0.04 0.00 -0.22 0.00 0.00 33.01 28.74 1mx7 s GLN 128 CO -0.02 -0.57 0.28 0.08 -0.25 0.00 0.00 175.29 174.81 1mx7 s VAL 129 N 1.80 5.29 0.01 1.09 1.01 0.20 -3.12 120.40 126.68 1mx7 s VAL 129 Ca 0.07 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.57 1mx7 s VAL 129 Cb -0.18 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1mx7 s VAL 129 CO 0.11 0.34 -0.05 -0.36 0.00 0.00 0.00 175.10 175.13 1mx7 s PHE 130 N 0.89 2.93 -0.42 5.22 0.40 -1.08 0.10 117.98 126.01 1mx7 s PHE 130 Ca 0.15 -0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.48 1mx7 s PHE 130 Cb -0.14 -1.61 0.13 0.00 0.51 0.00 0.00 43.02 41.91 1mx7 s PHE 130 CO 0.05 0.40 0.20 0.21 0.70 0.00 0.00 175.22 176.78 1mx7 s LYS 131 N -1.50 1.32 0.14 0.44 2.47 -1.26 -2.23 119.74 119.11 1mx7 s LYS 131 Ca 0.18 -1.94 -0.35 0.00 -1.56 0.00 0.00 55.97 52.30 1mx7 s LYS 131 Cb -0.11 -2.51 -0.15 0.00 -1.46 0.00 0.00 37.83 33.60 1mx7 s LYS 131 CO 0.09 -1.11 1.52 0.36 0.16 0.00 0.00 175.35 176.37 1mx7 n LYS 132 N 3.75 1.87 0.00 4.03 2.85 -0.04 -3.90 118.16 126.72 1mx7 n LYS 132 Ca 0.06 0.68 0.15 0.00 -1.05 0.00 0.00 58.31 58.14 1mx7 n LYS 132 Cb 0.36 -2.41 0.70 0.00 -0.65 0.00 0.00 35.03 33.03 1mx7 n LYS 132 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1mx7 n VAL 133 N 3.19 0.00 -0.70 0.58 3.14 -1.20 -4.88 118.33 118.47 1mx7 n VAL 133 Ca 0.17 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 1mx7 n VAL 133 Cb 0.26 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.88 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94