#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mx7 n VAL 2 N 0.00 0.00 -2.49 0.52 0.31 -1.26 -4.81 118.33 110.59 1mx7 n VAL 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1mx7 n VAL 2 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1mx7 n VAL 2 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1mx7 s ASP 3 N 0.00 7.15 0.32 4.52 1.01 -1.26 -4.96 116.67 123.44 1mx7 s ASP 3 Ca 0.00 1.91 0.14 0.00 0.71 0.00 0.00 52.55 55.31 1mx7 s ASP 3 Cb 0.00 -2.57 0.50 0.00 1.01 0.00 0.00 42.92 41.85 1mx7 s ASP 3 CO 0.00 -0.43 1.66 -0.26 0.21 0.00 0.00 175.17 176.35 1mx7 h PHE 4 N 6.85 0.00 -3.81 4.23 -1.00 -1.87 -3.46 116.94 117.89 1mx7 h PHE 4 Ca -0.41 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 59.85 1mx7 h PHE 4 Cb 1.21 0.00 0.06 0.00 3.61 0.00 0.00 35.95 40.83 1mx7 h PHE 4 CO 0.68 0.51 0.62 0.54 -1.61 0.00 0.00 178.31 179.04 1mx7 s ASN 5 N -6.66 6.85 0.00 2.17 2.20 -1.26 -4.85 114.94 113.39 1mx7 s ASN 5 Ca -0.01 2.60 0.00 0.00 -0.94 0.00 0.00 52.86 54.52 1mx7 s ASN 5 Cb 0.12 -2.64 0.00 0.00 -2.00 0.00 0.00 41.25 36.73 1mx7 s ASN 5 CO 0.73 -0.48 0.00 0.61 -2.94 0.00 0.00 177.10 175.01 1mx7 n GLY 6 N 1.04 -0.45 0.00 0.45 0.00 -1.24 -4.85 105.19 100.15 1mx7 n GLY 6 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.69 1.61 4.01 -1.26 -4.49 117.16 113.34 1mx7 n TYR 7 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1mx7 n TYR 7 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1mx7 n TYR 7 CO 0.00 0.00 0.00 1.67 -0.46 0.00 0.00 176.86 178.07 1mx7 s TRP 8 N -2.00 -0.13 -0.38 -0.72 -2.14 -1.26 0.16 118.94 112.47 1mx7 s TRP 8 Ca 0.00 -0.17 0.00 0.00 2.66 0.00 0.00 56.10 58.59 1mx7 s TRP 8 Cb 0.00 0.18 0.19 0.00 -3.10 0.00 0.00 33.47 30.74 1mx7 s TRP 8 CO 0.00 -0.65 0.84 -1.59 -2.66 0.00 0.00 176.95 172.89 1mx7 s LYS 9 N -3.63 0.55 0.33 3.25 -2.85 -1.26 -4.84 119.74 111.29 1mx7 s LYS 9 Ca 0.02 -0.25 -0.28 0.00 -1.00 0.00 0.00 55.97 54.46 1mx7 s LYS 9 Cb 0.02 0.05 -0.13 0.00 -2.06 0.00 0.00 37.83 35.71 1mx7 s LYS 9 CO -0.10 -0.77 1.23 -0.12 0.10 0.00 0.00 175.35 175.68 1mx7 n MET 10 N 3.87 1.95 -0.12 1.78 1.56 -1.26 -2.01 117.12 122.89 1mx7 n MET 10 Ca 0.10 0.68 -0.20 0.00 -0.27 0.00 0.00 57.70 58.01 1mx7 n MET 10 Cb 0.60 -2.22 -0.10 0.00 2.15 0.00 0.00 33.22 33.64 1mx7 n MET 10 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1mx7 n LEU 11 N 0.84 2.63 -3.51 -0.89 7.94 -0.94 -4.87 117.00 118.21 1mx7 n LEU 11 Ca 0.06 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.86 1mx7 n LEU 11 Cb 0.35 -0.81 -0.02 0.00 0.53 0.00 0.00 43.42 43.48 1mx7 n LEU 11 CO 0.62 0.79 0.49 -0.94 -1.11 0.00 0.00 177.39 177.24 1mx7 s SER 12 N -6.59 -0.47 0.29 1.96 1.04 -1.24 -5.00 113.70 103.69 1mx7 s SER 12 Ca -0.33 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.03 1mx7 s SER 12 Cb 0.10 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1mx7 s SER 12 CO 0.52 -0.93 0.14 0.21 0.98 0.00 0.00 173.24 174.16 1mx7 s ASN 13 N -2.72 1.44 -0.04 7.02 2.47 -1.26 -2.08 114.94 119.77 1mx7 s ASN 13 Ca 0.04 -1.51 -0.30 0.00 0.42 0.00 0.00 52.86 51.51 1mx7 s ASN 13 Cb -0.02 0.33 0.08 0.00 -1.45 0.00 0.00 41.25 40.20 1mx7 s ASN 13 CO -0.09 -0.85 0.75 -0.70 -3.72 0.00 0.00 177.10 172.49 1mx7 s GLU 14 N -3.88 0.98 -1.67 0.43 2.12 -0.81 -4.93 118.70 110.94 1mx7 s GLU 14 Ca 0.36 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.80 1mx7 s GLU 14 Cb 0.06 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.91 1mx7 s GLU 14 CO 0.16 -0.33 0.00 0.09 -0.54 0.00 0.00 175.26 174.64 1mx7 n ASN 15 N 0.64 -5.21 0.10 -1.70 3.02 -1.26 -3.58 115.26 107.27 1mx7 n ASN 15 Ca -0.16 0.15 0.16 0.00 -0.03 0.00 0.00 54.58 54.70 1mx7 n ASN 15 Cb 0.58 -4.43 0.69 0.00 -0.61 0.00 0.00 39.78 36.01 1mx7 n ASN 15 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1mx7 h PHE 16 N 0.00 0.00 0.11 3.10 -5.15 -1.96 -0.78 116.94 112.26 1mx7 h PHE 16 Ca -0.42 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 57.14 1mx7 h PHE 16 Cb 1.29 0.00 0.02 0.00 0.22 0.00 0.00 35.95 37.48 1mx7 h PHE 16 CO 0.58 0.00 -0.88 0.93 -2.00 0.00 0.00 178.31 176.94 1mx7 h GLU 17 N 0.00 0.40 0.00 6.09 5.08 -1.92 -3.17 114.58 121.05 1mx7 h GLU 17 Ca 0.16 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1mx7 h GLU 17 Cb 0.65 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1mx7 h GLU 17 CO -0.00 1.25 -0.10 0.93 -1.00 0.00 0.00 179.01 180.09 1mx7 h GLU 18 N -0.17 0.00 -0.12 2.33 4.39 -1.88 -2.63 114.58 116.50 1mx7 h GLU 18 Ca -0.14 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.38 1mx7 h GLU 18 Cb 1.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1mx7 h GLU 18 CO 0.17 0.10 -0.68 -0.92 -1.16 0.00 0.00 179.01 176.52 1mx7 h TYR 19 N 0.00 0.66 0.00 4.33 5.03 -1.19 -3.07 116.97 122.73 1mx7 h TYR 19 Ca -0.00 -0.27 -0.12 0.00 2.58 0.00 0.00 58.73 60.92 1mx7 h TYR 19 Cb 0.58 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 1mx7 h TYR 19 CO 0.00 1.03 -0.56 -0.07 -1.32 0.00 0.00 178.16 177.24 1mx7 h LEU 20 N 0.36 0.00 -0.87 2.82 3.38 -1.46 -3.00 115.31 116.54 1mx7 h LEU 20 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1mx7 h LEU 20 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1mx7 h LEU 20 CO 0.12 0.56 -0.23 -0.09 0.09 0.00 0.00 178.44 178.89 1mx7 h ARG 21 N 0.00 0.00 0.00 1.13 2.43 -1.39 -2.48 114.38 114.07 1mx7 h ARG 21 Ca -0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1mx7 h ARG 21 Cb 1.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1mx7 h ARG 21 CO 0.07 0.23 -0.26 0.00 -1.51 0.00 0.00 179.97 178.51 1mx7 h ALA 22 N 1.77 1.03 -0.01 2.80 0.00 -1.45 -3.17 119.26 120.23 1mx7 h ALA 22 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1mx7 h ALA 22 Cb 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1mx7 h ALA 22 CO 0.03 0.32 -0.07 1.28 0.00 0.00 0.00 179.25 180.82 1mx7 n LEU 23 N -3.45 1.83 -3.18 0.00 4.77 -1.13 -4.88 117.00 110.97 1mx7 n LEU 23 Ca -0.00 -0.94 -0.07 0.00 -0.03 0.00 0.00 56.01 54.97 1mx7 n LEU 23 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1mx7 n LEU 23 CO 0.34 0.35 0.17 0.47 -1.33 0.00 0.00 177.39 177.39 1mx7 n ASP 24 N 0.44 -7.21 0.00 -1.43 9.92 -0.95 -4.81 116.55 112.51 1mx7 n ASP 24 Ca 0.07 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1mx7 n ASP 24 Cb 0.29 -4.53 0.00 0.00 -0.64 0.00 0.00 41.12 36.24 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1mx7 n VAL 25 N -1.61 0.00 -3.86 2.53 3.14 -1.21 -4.81 118.33 112.51 1mx7 n VAL 25 Ca -0.04 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.25 1mx7 n VAL 25 Cb 0.54 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.25 1mx7 n VAL 25 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1mx7 s ASN 26 N -1.00 0.03 0.47 6.55 3.84 -1.26 -4.98 114.94 118.59 1mx7 s ASN 26 Ca 0.00 -0.68 0.26 0.00 0.21 0.00 0.00 52.86 52.65 1mx7 s ASN 26 Cb 0.00 0.40 0.63 0.00 -0.55 0.00 0.00 41.25 41.73 1mx7 s ASN 26 CO 0.00 -0.81 1.72 1.62 -2.79 0.00 0.00 177.10 176.83 1mx7 h VAL 27 N 2.61 0.00 0.04 -5.21 3.04 -2.00 -3.07 116.25 111.66 1mx7 h VAL 27 Ca -0.33 -0.86 -0.23 0.00 -1.01 0.00 0.00 66.70 64.27 1mx7 h VAL 27 Cb 1.22 1.86 -0.00 0.00 -2.01 0.00 0.00 31.29 32.36 1mx7 h VAL 27 CO 0.52 0.00 -1.01 0.00 -1.01 0.00 0.00 177.57 176.07 1mx7 h ALA 28 N 2.00 0.34 0.13 3.17 0.00 -2.01 -3.28 119.26 119.60 1mx7 h ALA 28 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 54.91 53.83 1mx7 h ALA 28 Cb 0.86 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.64 1mx7 h ALA 28 CO 0.00 0.92 -1.26 1.25 0.00 0.00 0.00 179.25 180.15 1mx7 h LEU 29 N 0.13 0.89 -2.58 0.00 5.85 -1.97 -3.30 115.31 114.33 1mx7 h LEU 29 Ca -0.08 -0.83 0.01 0.00 0.84 0.00 0.00 57.88 57.82 1mx7 h LEU 29 Cb 1.67 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 1mx7 h LEU 29 CO 0.16 1.63 0.05 0.03 -0.34 0.00 0.00 178.44 179.97 1mx7 h ARG 30 N 0.28 0.00 0.03 1.25 3.08 -1.64 0.16 114.38 117.53 1mx7 h ARG 30 Ca -0.19 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.67 1mx7 h ARG 30 Cb 1.93 0.00 0.02 0.00 0.08 0.00 0.00 29.97 32.00 1mx7 h ARG 30 CO 0.24 0.00 -0.75 -0.22 -1.07 0.00 0.00 179.97 178.17 1mx7 h LYS 31 N 0.00 0.46 0.21 0.04 3.64 -1.64 -2.86 116.57 116.42 1mx7 h LYS 31 Ca 0.01 -0.53 -0.30 0.00 -1.27 0.00 0.00 60.65 58.56 1mx7 h LYS 31 Cb 0.12 0.16 0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1mx7 h LYS 31 CO -0.00 1.18 -1.30 0.82 -2.27 0.00 0.00 179.45 177.88 1mx7 h ILE 32 N -0.02 1.33 0.45 2.00 2.04 -1.50 -3.36 117.51 118.43 1mx7 h ILE 32 Ca -0.10 -2.61 -0.01 0.00 1.00 0.00 0.00 64.86 63.14 1mx7 h ILE 32 Cb 1.47 3.01 -0.02 0.00 -0.74 0.00 0.00 36.82 40.53 1mx7 h ILE 32 CO 0.15 0.78 -0.45 0.00 0.00 0.00 0.00 178.15 178.63 1mx7 h ALA 33 N 0.16 -1.00 -0.33 1.87 0.00 -0.83 -3.31 119.26 115.83 1mx7 h ALA 33 Ca -0.22 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 1mx7 h ALA 33 Cb 2.02 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 20.43 1mx7 h ALA 33 CO 0.25 -1.10 0.50 1.21 0.00 0.00 0.00 179.25 180.11 1mx7 s ASN 34 N -4.46 4.24 0.00 0.00 2.47 -1.08 -1.15 114.94 114.96 1mx7 s ASN 34 Ca -0.18 -1.10 0.00 0.00 0.42 0.00 0.00 52.86 52.01 1mx7 s ASN 34 Cb 0.05 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1mx7 s ASN 34 CO 0.62 -3.86 0.00 0.18 -3.72 0.00 0.00 177.10 170.32 1mx7 n LEU 35 N 17.07 0.00 -4.89 3.21 4.77 -1.25 -4.92 117.00 130.98 1mx7 n LEU 35 Ca 0.43 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 56.12 1mx7 n LEU 35 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1mx7 n LEU 35 CO 0.62 0.00 0.34 -0.76 -1.33 0.00 0.00 177.39 176.26 1mx7 s LEU 36 N 0.00 3.91 -0.23 2.23 1.43 -0.30 -5.08 118.68 120.64 1mx7 s LEU 36 Ca 0.00 0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 53.98 1mx7 s LEU 36 Cb 0.00 -3.79 0.08 0.00 0.03 0.00 0.00 46.19 42.51 1mx7 s LEU 36 CO 0.00 -0.33 0.10 -1.59 0.23 0.00 0.00 176.35 174.75 1mx7 s LYS 37 N -3.83 0.26 0.00 1.70 -2.85 -1.26 -5.02 119.74 108.75 1mx7 s LYS 37 Ca 0.48 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 1mx7 s LYS 37 Cb -0.10 -1.66 0.00 0.00 -2.06 0.00 0.00 37.83 34.01 1mx7 s LYS 37 CO 0.32 -0.82 0.00 -2.30 0.10 0.00 0.00 175.35 172.66 1mx7 n PRO 38 N 5.19 0.47 -3.90 1.78 -0.02 -1.26 -4.98 135.00 132.27 1mx7 n PRO 38 Ca -0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.32 1mx7 n PRO 38 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.89 1mx7 n PRO 38 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1mx7 s ASP 39 N -1.85 -0.14 -0.17 2.55 1.47 -1.26 -4.49 116.67 112.78 1mx7 s ASP 39 Ca 0.00 -0.76 -0.06 0.00 1.18 0.00 0.00 52.55 52.91 1mx7 s ASP 39 Cb 0.00 0.58 0.08 0.00 -0.34 0.00 0.00 42.92 43.24 1mx7 s ASP 39 CO 0.00 -1.10 0.35 -0.75 0.68 0.00 0.00 175.17 174.35 1mx7 s LYS 40 N -3.96 0.26 -0.40 2.11 2.20 -1.26 -3.76 119.74 114.92 1mx7 s LYS 40 Ca 0.17 0.90 -0.06 0.00 -0.36 0.00 0.00 55.97 56.62 1mx7 s LYS 40 Cb -0.01 0.16 0.09 0.00 -1.51 0.00 0.00 37.83 36.56 1mx7 s LYS 40 CO 0.04 -0.25 0.21 -2.00 -0.36 0.00 0.00 175.35 172.99 1mx7 s GLU 41 N 2.41 2.33 -0.13 4.03 2.12 -0.91 -4.09 118.70 124.45 1mx7 s GLU 41 Ca -0.01 -1.61 -0.17 0.00 0.36 0.00 0.00 54.97 53.54 1mx7 s GLU 41 Cb -0.12 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 1mx7 s GLU 41 CO -0.11 -0.98 0.41 0.42 -0.54 0.00 0.00 175.26 174.46 1mx7 s ILE 42 N 1.28 5.23 -0.16 -3.70 1.01 -1.26 -1.01 121.20 122.58 1mx7 s ILE 42 Ca 0.04 0.80 0.01 0.00 0.00 0.00 0.00 60.65 61.51 1mx7 s ILE 42 Cb -0.23 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.51 1mx7 s ILE 42 CO -0.01 0.35 -0.19 -0.69 0.00 0.00 0.00 174.94 174.40 1mx7 s VAL 43 N 0.55 2.20 -0.22 2.92 1.01 0.95 -3.61 120.40 124.20 1mx7 s VAL 43 Ca 0.22 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1mx7 s VAL 43 Cb -0.14 -1.91 0.09 0.00 0.00 0.00 0.00 36.38 34.42 1mx7 s VAL 43 CO 0.08 0.53 0.20 -1.10 0.00 0.00 0.00 175.10 174.81 1mx7 s GLN 44 N 1.05 0.19 -0.14 2.72 -1.52 -1.26 0.50 119.66 121.20 1mx7 s GLN 44 Ca -0.01 -0.01 -0.24 0.00 -1.95 0.00 0.00 55.36 53.15 1mx7 s GLN 44 Cb -0.14 -1.24 -0.22 0.00 -0.22 0.00 0.00 33.01 31.19 1mx7 s GLN 44 CO -0.07 -0.77 0.61 0.22 -0.25 0.00 0.00 175.29 175.03 1mx7 h ASP 45 N 8.34 0.00 0.00 5.90 1.82 -1.97 -3.40 116.42 127.11 1mx7 h ASP 45 Ca -0.16 -0.81 0.00 0.00 -0.39 0.00 0.00 57.03 55.66 1mx7 h ASP 45 Cb 1.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1mx7 h ASP 45 CO 0.31 0.98 0.00 0.61 -1.61 0.00 0.00 179.24 179.53 1mx7 n GLY 46 N 1.62 -1.12 0.35 -0.78 0.00 -1.26 -4.96 105.19 99.04 1mx7 n GLY 46 Ca -0.11 0.40 0.05 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 -0.61 1.64 -4.23 1.61 9.92 -1.26 -4.87 116.55 118.76 1mx7 n ASP 47 Ca 0.00 -1.32 -0.40 0.00 -0.53 0.00 0.00 54.79 52.54 1mx7 n ASP 47 Cb 0.00 0.16 -0.10 0.00 -0.64 0.00 0.00 41.12 40.54 1mx7 n ASP 47 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1mx7 s HIS 48 N -1.03 3.39 0.17 1.24 3.76 -1.26 -2.53 115.29 119.02 1mx7 s HIS 48 Ca 0.11 -1.74 -0.04 0.00 -0.15 0.00 0.00 55.06 53.24 1mx7 s HIS 48 Cb 0.08 -3.15 -0.05 0.00 1.11 0.00 0.00 32.58 30.57 1mx7 s HIS 48 CO 0.17 -0.91 0.40 1.41 -0.85 0.00 0.00 174.74 174.97 1mx7 s MET 49 N 1.37 3.61 -0.10 1.40 0.00 -0.96 -3.45 119.30 121.17 1mx7 s MET 49 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 55.69 55.59 1mx7 s MET 49 Cb -0.24 -2.82 0.05 0.00 0.00 0.00 0.00 34.83 31.82 1mx7 s MET 49 CO 0.00 0.42 0.22 0.42 0.00 0.00 0.00 175.02 176.09 1mx7 s ILE 50 N -1.74 -0.13 -0.19 10.11 1.01 0.18 -0.99 121.20 129.46 1mx7 s ILE 50 Ca 0.41 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 61.23 1mx7 s ILE 50 Cb -0.12 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 1mx7 s ILE 50 CO 0.26 0.08 -0.07 -0.63 0.00 0.00 0.00 174.94 174.58 1mx7 s ILE 51 N 1.53 3.34 -0.68 2.92 1.09 -1.24 -0.04 121.20 128.12 1mx7 s ILE 51 Ca -0.06 -0.52 -0.00 0.00 -1.10 0.00 0.00 60.65 58.96 1mx7 s ILE 51 Cb -0.11 -2.48 0.17 0.00 -1.06 0.00 0.00 42.46 38.98 1mx7 s ILE 51 CO -0.08 0.46 0.50 -0.60 -0.10 0.00 0.00 174.94 175.12 1mx7 s ARG 52 N 1.06 2.62 -0.05 2.79 6.06 -0.18 -2.89 118.95 128.36 1mx7 s ARG 52 Ca 0.01 -2.84 -0.22 0.00 -2.50 0.00 0.00 55.73 50.17 1mx7 s ARG 52 Cb -0.15 -3.67 -0.04 0.00 0.06 0.00 0.00 34.95 31.15 1mx7 s ARG 52 CO -0.01 -1.20 0.65 0.99 -2.50 0.00 0.00 175.30 173.24 1mx7 s THR 53 N -0.60 5.01 -0.94 4.11 2.01 -0.99 -2.14 115.64 122.09 1mx7 s THR 53 Ca 0.20 1.35 -0.01 0.00 0.31 0.00 0.00 61.69 63.55 1mx7 s THR 53 Cb -0.16 -3.99 0.30 0.00 0.01 0.00 0.00 72.50 68.66 1mx7 s THR 53 CO -0.07 0.31 1.39 0.18 -0.69 0.00 0.00 174.62 175.74 1mx7 n LEU 54 N 3.45 6.01 -4.64 4.42 4.77 -1.25 -3.34 117.00 126.43 1mx7 n LEU 54 Ca -0.03 -5.35 -0.43 0.00 -0.03 0.00 0.00 56.01 50.17 1mx7 n LEU 54 Cb 0.51 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.51 1mx7 n LEU 54 CO 0.46 1.91 1.07 -0.44 -1.33 0.00 0.00 177.39 179.07 1mx7 s SER 55 N -1.98 6.80 0.53 -1.43 0.01 -1.26 -4.56 113.70 111.81 1mx7 s SER 55 Ca 0.36 1.28 0.31 0.00 1.31 0.00 0.00 55.95 59.21 1mx7 s SER 55 Cb 0.12 -2.54 1.70 0.00 0.21 0.00 0.00 66.02 65.51 1mx7 s SER 55 CO 0.00 -0.95 1.94 0.00 0.41 0.00 0.00 173.24 174.64 1mx7 h THR 56 N 5.79 0.00 -3.74 1.44 1.03 -1.97 -3.30 112.91 112.15 1mx7 h THR 56 Ca -0.25 0.00 -0.67 0.00 -0.01 0.00 0.00 66.41 65.48 1mx7 h THR 56 Cb 1.09 0.69 -0.37 0.00 -1.07 0.00 0.00 68.15 68.49 1mx7 h THR 56 CO 1.02 0.00 -0.72 0.12 -0.01 0.00 0.00 175.52 175.93 1mx7 s PHE 57 N -3.86 3.46 -0.26 0.00 2.19 -1.26 -4.86 117.98 113.38 1mx7 s PHE 57 Ca -0.03 -2.44 -0.03 0.00 0.33 0.00 0.00 56.93 54.76 1mx7 s PHE 57 Cb 0.09 -2.44 0.01 0.00 -1.31 0.00 0.00 43.02 39.37 1mx7 s PHE 57 CO 0.28 -0.90 0.05 0.54 1.83 0.00 0.00 175.22 177.03 1mx7 n ARG 58 N 4.44 -3.50 -1.26 10.12 5.12 -1.25 -4.93 116.66 125.40 1mx7 n ARG 58 Ca -0.07 2.78 -0.39 0.00 -1.93 0.00 0.00 57.85 58.24 1mx7 n ARG 58 Cb 0.42 -5.03 0.01 0.00 -1.16 0.00 0.00 32.46 26.71 1mx7 n ARG 58 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1mx7 n ASN 59 N 0.86 -3.46 -3.71 0.55 0.23 -1.24 -4.71 115.26 103.78 1mx7 n ASN 59 Ca -0.09 0.66 -0.30 0.00 -0.53 0.00 0.00 54.58 54.32 1mx7 n ASN 59 Cb 0.13 -0.88 -0.15 0.00 -2.08 0.00 0.00 39.78 36.81 1mx7 n ASN 59 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1mx7 s TYR 60 N -1.97 1.64 0.03 -2.53 6.14 -1.21 -4.96 117.35 114.49 1mx7 s TYR 60 Ca 0.58 -1.80 0.02 0.00 0.64 0.00 0.00 57.07 56.51 1mx7 s TYR 60 Cb -0.49 -1.67 -0.02 0.00 0.42 0.00 0.00 41.96 40.20 1mx7 s TYR 60 CO 0.65 -0.86 -0.08 0.42 0.64 0.00 0.00 175.55 176.32 1mx7 s ILE 61 N 1.42 0.59 0.05 3.14 1.09 -1.26 -2.35 121.20 123.89 1mx7 s ILE 61 Ca 0.11 -0.85 -0.00 0.00 -1.10 0.00 0.00 60.65 58.82 1mx7 s ILE 61 Cb -0.19 -0.60 0.00 0.00 -1.06 0.00 0.00 42.46 40.62 1mx7 s ILE 61 CO -0.21 -0.20 0.07 0.23 -0.10 0.00 0.00 174.94 174.73 1mx7 n MET 62 N 1.90 0.10 -3.53 2.79 2.81 -1.14 -5.06 117.12 115.00 1mx7 n MET 62 Ca -0.20 -0.45 -0.01 0.00 -1.81 0.00 0.00 57.70 55.24 1mx7 n MET 62 Cb 0.56 0.42 -0.05 0.00 -0.71 0.00 0.00 33.22 33.43 1mx7 n MET 62 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1mx7 s ASP 63 N -1.34 -0.66 0.25 7.83 1.47 -1.26 -3.71 116.67 119.24 1mx7 s ASP 63 Ca 0.05 0.96 0.01 0.00 1.18 0.00 0.00 52.55 54.75 1mx7 s ASP 63 Cb -0.00 1.59 -0.00 0.00 -0.34 0.00 0.00 42.92 44.17 1mx7 s ASP 63 CO 0.03 -0.14 0.02 0.49 0.68 0.00 0.00 175.17 176.26 1mx7 n PHE 64 N 4.61 0.44 -3.65 2.11 3.72 -0.16 -4.99 117.46 119.52 1mx7 n PHE 64 Ca -0.13 -1.33 -0.29 0.00 -0.05 0.00 0.00 57.45 55.64 1mx7 n PHE 64 Cb 0.54 -0.12 -0.14 0.00 -0.94 0.00 0.00 39.48 38.82 1mx7 n PHE 64 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1mx7 s GLN 65 N -2.91 0.78 0.28 -1.08 -0.21 -1.26 -2.28 119.66 112.98 1mx7 s GLN 65 Ca 0.04 -1.32 -0.30 0.00 0.02 0.00 0.00 55.36 53.80 1mx7 s GLN 65 Cb 0.00 -1.86 -0.13 0.00 1.00 0.00 0.00 33.01 32.01 1mx7 s GLN 65 CO 0.02 -1.08 1.25 0.28 -2.12 0.00 0.00 175.29 173.64 1mx7 n VAL 66 N 4.38 1.54 -1.06 1.09 0.31 -1.05 -1.83 118.33 121.71 1mx7 n VAL 66 Ca 0.03 -0.38 -0.02 0.00 -0.01 0.00 0.00 64.34 63.96 1mx7 n VAL 66 Cb 0.39 -1.33 -0.01 0.00 -0.91 0.00 0.00 33.84 31.98 1mx7 n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mx7 n GLY 67 N 1.47 0.54 2.81 2.92 0.00 -1.15 -4.86 105.19 106.92 1mx7 n GLY 67 Ca 0.09 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.40 0.05 0.52 1.61 2.47 -0.76 -5.03 119.74 117.20 1mx7 s LYS 68 Ca 0.00 0.12 -0.20 0.00 -1.56 0.00 0.00 55.97 54.32 1mx7 s LYS 68 Cb 0.00 -0.25 -0.06 0.00 -1.46 0.00 0.00 37.83 36.05 1mx7 s LYS 68 CO 0.00 -0.12 1.14 -2.00 0.16 0.00 0.00 175.35 174.53 1mx7 s GLU 69 N 0.81 3.48 0.15 4.03 2.12 -1.26 -4.37 118.70 123.66 1mx7 s GLU 69 Ca -0.07 1.65 -0.17 0.00 0.36 0.00 0.00 54.97 56.74 1mx7 s GLU 69 Cb -0.10 -2.12 0.04 0.00 0.26 0.00 0.00 34.13 32.20 1mx7 s GLU 69 CO -0.02 -0.75 0.47 -0.59 -0.54 0.00 0.00 175.26 173.82 1mx7 s PHE 70 N -1.71 -0.22 -0.25 5.30 -0.12 0.53 -4.99 117.98 116.52 1mx7 s PHE 70 Ca 0.70 -0.09 -0.10 0.00 -0.05 0.00 0.00 56.93 57.38 1mx7 s PHE 70 Cb -0.25 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.43 1mx7 s PHE 70 CO 0.29 -0.79 0.16 -1.83 -0.05 0.00 0.00 175.22 172.99 1mx7 s GLU 71 N -3.82 4.00 -1.22 1.99 -1.05 -1.26 -0.66 118.70 116.68 1mx7 s GLU 71 Ca 0.05 -0.30 -0.20 0.00 -0.15 0.00 0.00 54.97 54.37 1mx7 s GLU 71 Cb 0.01 -3.55 -0.02 0.00 -0.44 0.00 0.00 34.13 30.13 1mx7 s GLU 71 CO -0.09 -0.02 1.88 -1.91 0.95 0.00 0.00 175.26 176.07 1mx7 n GLU 72 N 4.54 2.37 -1.79 -4.83 2.13 -0.69 -4.96 120.64 117.41 1mx7 n GLU 72 Ca -0.15 -2.75 -0.42 0.00 0.66 0.00 0.00 57.16 54.50 1mx7 n GLU 72 Cb 0.52 -3.51 -0.02 0.00 0.27 0.00 0.00 31.44 28.70 1mx7 n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1mx7 s ASP 73 N 5.09 6.40 -0.29 4.31 1.01 -1.26 -3.40 116.67 128.52 1mx7 s ASP 73 Ca 0.59 2.90 -0.00 0.00 0.71 0.00 0.00 52.55 56.75 1mx7 s ASP 73 Cb 0.04 -2.62 0.14 0.00 1.01 0.00 0.00 42.92 41.49 1mx7 s ASP 73 CO 0.09 -0.91 0.31 -0.22 0.21 0.00 0.00 175.17 174.64 1mx7 s LEU 74 N 0.01 -0.27 -0.59 1.23 2.96 -1.26 -4.95 118.68 115.81 1mx7 s LEU 74 Ca 0.66 -0.77 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1mx7 s LEU 74 Cb -0.48 0.55 0.18 0.00 0.50 0.00 0.00 46.19 46.95 1mx7 s LEU 74 CO 0.43 -0.38 0.47 1.07 -1.32 0.00 0.00 176.35 176.61 1mx7 n THR 75 N 5.27 0.65 0.00 3.68 5.66 -1.26 -3.55 114.28 124.73 1mx7 n THR 75 Ca -0.01 -4.39 0.00 0.00 -3.05 0.00 0.00 64.05 56.60 1mx7 n THR 75 Cb 0.46 -1.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.25 1mx7 n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1mx7 n GLY 76 N 2.13 2.12 1.84 1.09 0.00 -1.26 -5.03 105.19 106.07 1mx7 n GLY 76 Ca 0.24 0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 1mx7 n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mx7 n ILE 77 N 0.00 -8.08 0.00 -0.61 5.41 -1.26 -4.58 119.36 110.24 1mx7 n ILE 77 Ca 0.00 1.59 0.00 0.00 1.00 0.00 0.00 62.75 65.34 1mx7 n ILE 77 Cb 0.00 -4.81 0.00 0.00 -0.71 0.00 0.00 39.64 34.12 1mx7 n ILE 77 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1mx7 n ASP 78 N 0.93 0.00 -2.37 4.38 8.00 -1.26 -4.89 116.55 121.35 1mx7 n ASP 78 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1mx7 n ASP 78 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 1.01 -5.57 0.03 -2.24 5.68 -1.26 -4.82 116.55 109.39 1mx7 n ASP 79 Ca 0.00 0.62 0.00 0.00 -0.50 0.00 0.00 54.79 54.91 1mx7 n ASP 79 Cb 0.00 -1.16 0.00 0.00 -1.14 0.00 0.00 41.12 38.82 1mx7 n ASP 79 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1mx7 n ARG 80 N 1.90 0.00 -0.78 0.11 0.63 -1.23 -5.04 116.66 112.24 1mx7 n ARG 80 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1mx7 n ARG 80 Cb 0.09 -0.17 0.00 0.00 0.45 0.00 0.00 32.46 32.83 1mx7 n ARG 80 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1mx7 n LYS 81 N -2.94 -1.16 -2.42 -0.14 0.00 -1.26 -4.98 118.16 105.26 1mx7 n LYS 81 Ca 0.00 1.18 -0.05 0.00 0.00 0.00 0.00 58.31 59.44 1mx7 n LYS 81 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 35.03 34.14 1mx7 n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mx7 s MET 83 N -2.17 1.41 -0.03 0.00 0.23 -1.26 -1.71 119.30 115.77 1mx7 s MET 83 Ca 0.10 -1.21 -0.24 0.00 -1.03 0.00 0.00 55.69 53.30 1mx7 s MET 83 Cb -0.02 -1.75 0.05 0.00 -1.53 0.00 0.00 34.83 31.59 1mx7 s MET 83 CO 0.07 0.42 0.52 0.99 -2.03 0.00 0.00 175.02 175.00 1mx7 s THR 84 N -1.00 0.02 -0.23 3.16 2.01 0.17 -2.58 115.64 117.18 1mx7 s THR 84 Ca 0.11 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1mx7 s THR 84 Cb -0.10 -0.85 0.07 0.00 0.01 0.00 0.00 72.50 71.64 1mx7 s THR 84 CO 0.04 -0.11 0.05 -0.89 -0.69 0.00 0.00 174.62 173.02 1mx7 s THR 85 N -1.32 0.64 0.19 -0.82 2.01 -1.26 -0.35 115.64 114.73 1mx7 s THR 85 Ca -0.12 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 60.92 1mx7 s THR 85 Cb -0.02 -1.24 -0.07 0.00 0.01 0.00 0.00 72.50 71.17 1mx7 s THR 85 CO 0.07 -0.36 0.57 0.68 -0.69 0.00 0.00 174.62 174.89 1mx7 s VAL 86 N 1.78 4.86 0.20 3.82 -7.23 -1.26 -4.30 120.40 118.27 1mx7 s VAL 86 Ca 0.02 0.73 -0.23 0.00 -1.81 0.00 0.00 61.98 60.68 1mx7 s VAL 86 Cb -0.17 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 33.13 1mx7 s VAL 86 CO -0.14 0.10 0.85 -0.44 -0.31 0.00 0.00 175.10 175.16 1mx7 s SER 87 N -1.98 -0.22 -0.25 4.85 0.01 -1.16 -2.92 113.70 112.03 1mx7 s SER 87 Ca 0.42 -0.47 -0.13 0.00 1.31 0.00 0.00 55.95 57.09 1mx7 s SER 87 Cb -0.13 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1mx7 s SER 87 CO 0.20 -1.08 0.26 0.26 0.41 0.00 0.00 173.24 173.30 1mx7 s TRP 88 N -3.55 3.29 -0.12 2.43 0.51 -1.26 -2.05 118.94 118.19 1mx7 s TRP 88 Ca 0.11 0.33 -0.12 0.00 -2.12 0.00 0.00 56.10 54.30 1mx7 s TRP 88 Cb -0.03 -2.42 -0.04 0.00 -0.81 0.00 0.00 33.47 30.17 1mx7 s TRP 88 CO 0.04 -0.07 -0.23 -0.25 -0.51 0.00 0.00 176.95 175.93 1mx7 n ASP 89 N 4.73 1.31 -3.18 2.95 9.92 -1.23 -4.96 116.55 126.09 1mx7 n ASP 89 Ca -0.12 0.24 0.02 0.00 -0.53 0.00 0.00 54.79 54.40 1mx7 n ASP 89 Cb 0.52 -0.67 -0.01 0.00 -0.64 0.00 0.00 41.12 40.32 1mx7 n ASP 89 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1mx7 s GLY 90 N -4.27 -1.27 -1.57 0.44 0.00 -1.26 -4.93 107.32 94.47 1mx7 s GLY 90 Ca -0.19 0.50 -0.01 0.00 0.00 0.00 0.00 44.72 45.02 1mx7 s GLY 90 CO 0.28 3.70 0.08 1.22 0.00 0.00 0.00 173.10 178.38 1mx7 n ASP 91 N 4.69 -5.38 -3.96 1.64 9.92 -1.26 -4.96 116.55 117.24 1mx7 n ASP 91 Ca 0.09 -0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.25 1mx7 n ASP 91 Cb 0.56 -4.48 -0.07 0.00 -0.64 0.00 0.00 41.12 36.50 1mx7 n ASP 91 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1mx7 s LYS 92 N -5.14 1.23 -0.22 -1.24 1.02 -1.26 -4.76 119.74 109.37 1mx7 s LYS 92 Ca 0.04 -1.18 -0.00 0.00 0.02 0.00 0.00 55.97 54.85 1mx7 s LYS 92 Cb -0.02 0.40 0.03 0.00 -0.52 0.00 0.00 37.83 37.71 1mx7 s LYS 92 CO 0.05 -0.47 -0.12 -1.17 -0.92 0.00 0.00 175.35 172.72 1mx7 s LEU 93 N -2.98 2.79 0.20 3.17 0.20 -1.26 -3.54 118.68 117.26 1mx7 s LEU 93 Ca 0.18 -0.83 0.06 0.00 0.69 0.00 0.00 54.13 54.24 1mx7 s LEU 93 Cb 0.03 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 44.17 1mx7 s LEU 93 CO 0.02 -0.08 0.13 -1.10 -0.29 0.00 0.00 176.35 175.03 1mx7 s GLN 94 N 1.29 2.80 -0.08 1.98 -1.52 -0.87 -2.36 119.66 120.90 1mx7 s GLN 94 Ca 0.01 -1.00 -0.11 0.00 -1.95 0.00 0.00 55.36 52.32 1mx7 s GLN 94 Cb -0.16 -2.55 0.03 0.00 -0.22 0.00 0.00 33.01 30.11 1mx7 s GLN 94 CO -0.08 0.45 0.28 0.00 -0.25 0.00 0.00 175.29 175.69 1mx7 s VAL 96 N -0.22 0.87 -0.35 0.00 1.01 -1.26 -3.85 120.40 116.59 1mx7 s VAL 96 Ca -0.03 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 1mx7 s VAL 96 Cb -0.03 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1mx7 s VAL 96 CO 0.01 -0.33 0.60 -1.10 0.00 0.00 0.00 175.10 174.28 1mx7 s GLN 97 N 1.67 3.67 0.00 2.72 1.11 -1.13 -4.11 119.66 123.60 1mx7 s GLN 97 Ca 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 55.36 55.38 1mx7 s GLN 97 Cb -0.18 -3.80 0.00 0.00 -1.01 0.00 0.00 33.01 28.02 1mx7 s GLN 97 CO -0.13 -0.70 0.14 1.17 0.01 0.00 0.00 175.29 175.79 1mx7 n LYS 98 N 5.94 0.00 0.00 2.91 4.81 -1.07 -4.47 118.16 126.27 1mx7 n LYS 98 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1mx7 n LYS 98 Cb 0.49 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 35.01 1mx7 n LYS 98 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mx7 n GLY 99 N 0.97 1.15 0.00 3.14 0.00 -1.26 -4.77 105.19 104.41 1mx7 n GLY 99 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1mx7 n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mx7 n GLU 100 N 9.91 3.31 0.00 1.61 -0.58 -1.26 -5.06 120.64 128.57 1mx7 n GLU 100 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1mx7 n GLU 100 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1mx7 n LYS 101 N 0.00 0.00 -0.09 3.49 3.00 -1.26 -4.73 118.16 118.56 1mx7 n LYS 101 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 1mx7 n LYS 101 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1mx7 n LYS 101 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1mx7 n GLU 102 N -0.73 0.63 -2.74 1.64 0.00 -1.26 -4.91 120.64 113.26 1mx7 n GLU 102 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 57.16 56.25 1mx7 n GLU 102 Cb 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 31.44 30.88 1mx7 n GLU 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mx7 n GLY 103 N -0.17 1.83 3.72 -1.84 0.00 -1.26 -4.93 105.19 102.53 1mx7 n GLY 103 Ca 0.01 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.82 4.33 0.00 1.61 0.52 -1.26 -2.83 118.95 119.50 1mx7 s ARG 104 Ca 0.19 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.86 1mx7 s ARG 104 Cb 0.39 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1mx7 s ARG 104 CO -0.07 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.78 1mx7 n GLY 105 N 3.33 3.90 3.57 -3.53 0.00 -1.23 -2.84 105.19 108.38 1mx7 n GLY 105 Ca -0.07 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 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 2.22 -0.24 1.61 0.51 -1.25 -2.91 118.94 116.88 1mx7 s TRP 106 Ca 0.00 -0.83 -0.04 0.00 -2.12 0.00 0.00 56.10 53.11 1mx7 s TRP 106 Cb 0.00 -1.56 0.13 0.00 -0.81 0.00 0.00 33.47 31.24 1mx7 s TRP 106 CO 0.00 0.23 0.44 0.99 -0.51 0.00 0.00 176.95 178.10 1mx7 s THR 107 N -2.96 -0.70 0.55 2.01 2.01 -1.08 -3.19 115.64 112.28 1mx7 s THR 107 Ca 0.32 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.35 1mx7 s THR 107 Cb 0.08 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.82 1mx7 s THR 107 CO 0.16 -0.05 0.77 -1.10 -0.69 0.00 0.00 174.62 173.71 1mx7 s GLN 108 N 2.63 2.50 -0.30 4.92 -0.21 -1.00 -2.77 119.66 125.44 1mx7 s GLN 108 Ca 0.10 -0.86 -0.15 0.00 0.02 0.00 0.00 55.36 54.47 1mx7 s GLN 108 Cb -0.14 -2.50 0.18 0.00 1.00 0.00 0.00 33.01 31.54 1mx7 s GLN 108 CO -0.16 -0.73 1.14 -0.46 -2.12 0.00 0.00 175.29 172.96 1mx7 s TRP 109 N -2.75 -0.30 -0.13 0.91 -0.11 -0.76 -4.34 118.94 111.46 1mx7 s TRP 109 Ca 0.58 0.30 -0.17 0.00 1.22 0.00 0.00 56.10 58.02 1mx7 s TRP 109 Cb -0.10 0.10 -0.04 0.00 -1.50 0.00 0.00 33.47 31.93 1mx7 s TRP 109 CO 0.38 -0.17 0.45 0.42 -4.62 0.00 0.00 176.95 173.41 1mx7 s ILE 110 N 2.97 5.21 0.00 5.86 1.01 -1.26 -0.55 121.20 134.44 1mx7 s ILE 110 Ca -0.01 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1mx7 s ILE 110 Cb -0.08 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1mx7 s ILE 110 CO -0.11 0.33 0.00 -0.62 0.00 0.00 0.00 174.94 174.54 1mx7 n GLU 111 N 3.73 2.67 -3.30 2.79 1.02 0.74 -4.98 120.64 123.32 1mx7 n GLU 111 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.63 1mx7 n GLU 111 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.86 1mx7 n GLU 111 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1mx7 s GLY 112 N -0.90 1.89 -0.04 0.62 0.00 -1.26 -3.90 107.32 103.72 1mx7 s GLY 112 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1mx7 s GLY 112 CO 0.00 1.21 0.00 1.22 0.00 0.00 0.00 173.10 175.53 1mx7 n ASP 113 N 5.66 -3.25 -3.75 1.64 8.00 -1.26 -5.00 116.55 118.58 1mx7 n ASP 113 Ca -0.08 0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.30 1mx7 n ASP 113 Cb 0.46 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1mx7 s GLU 114 N -0.63 0.67 -0.19 -1.24 2.02 0.35 -1.17 118.70 118.52 1mx7 s GLU 114 Ca 0.00 -0.18 -0.01 0.00 0.02 0.00 0.00 54.97 54.81 1mx7 s GLU 114 Cb 0.00 0.30 0.01 0.00 0.10 0.00 0.00 34.13 34.54 1mx7 s GLU 114 CO 0.00 -0.19 -0.14 -1.17 0.02 0.00 0.00 175.26 173.78 1mx7 s LEU 115 N -1.31 2.43 -0.24 1.80 2.96 -1.25 -0.18 118.68 122.89 1mx7 s LEU 115 Ca -0.13 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1mx7 s LEU 115 Cb -0.05 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.08 1mx7 s LEU 115 CO 0.04 0.01 -0.06 -2.28 -1.32 0.00 0.00 176.35 172.75 1mx7 s HIS 116 N 1.23 3.01 0.12 5.38 5.65 0.29 -2.31 115.29 128.67 1mx7 s HIS 116 Ca 0.03 -1.33 0.06 0.00 0.25 0.00 0.00 55.06 54.07 1mx7 s HIS 116 Cb -0.14 -2.07 -0.04 0.00 -1.18 0.00 0.00 32.58 29.15 1mx7 s HIS 116 CO -0.07 -0.67 -0.15 -1.17 -0.65 0.00 0.00 174.74 172.03 1mx7 s LEU 117 N 1.38 2.40 -0.07 8.88 0.20 -1.25 -1.82 118.68 128.39 1mx7 s LEU 117 Ca 0.03 -0.80 -0.03 0.00 0.69 0.00 0.00 54.13 54.01 1mx7 s LEU 117 Cb -0.16 -0.60 0.04 0.00 -0.43 0.00 0.00 46.19 45.04 1mx7 s LEU 117 CO -0.04 -0.12 0.15 -1.83 -0.29 0.00 0.00 176.35 174.22 1mx7 s GLU 118 N -2.61 0.07 -0.19 1.98 -1.05 -1.11 -3.62 118.70 112.17 1mx7 s GLU 118 Ca 0.09 0.43 -0.05 0.00 -0.15 0.00 0.00 54.97 55.30 1mx7 s GLU 118 Cb -0.05 -0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.39 1mx7 s GLU 118 CO 0.04 -0.22 -0.00 -1.64 0.95 0.00 0.00 175.26 174.39 1mx7 s MET 119 N 1.57 3.68 0.01 -4.83 -1.94 0.16 -2.62 119.30 115.33 1mx7 s MET 119 Ca -0.05 -0.50 0.06 0.00 -1.71 0.00 0.00 55.69 53.50 1mx7 s MET 119 Cb -0.12 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.65 1mx7 s MET 119 CO -0.06 0.11 -0.19 1.03 -0.01 0.00 0.00 175.02 175.90 1mx7 s ARG 120 N 0.75 1.40 -0.27 2.03 0.52 -1.15 0.96 118.95 123.20 1mx7 s ARG 120 Ca 0.00 -0.77 -0.13 0.00 -0.52 0.00 0.00 55.73 54.30 1mx7 s ARG 120 Cb -0.14 -1.42 0.09 0.00 0.52 0.00 0.00 34.95 34.00 1mx7 s ARG 120 CO 0.02 0.38 0.63 0.00 0.02 0.00 0.00 175.30 176.35 1mx7 s ALA 121 N -0.61 -1.77 -0.98 2.13 0.00 0.31 -3.54 121.76 117.30 1mx7 s ALA 121 Ca 0.07 2.25 -0.18 0.00 0.00 0.00 0.00 51.96 54.09 1mx7 s ALA 121 Cb -0.08 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.64 1mx7 s ALA 121 CO 0.00 -0.49 0.35 -1.91 0.00 0.00 0.00 175.76 173.71 1mx7 n GLU 122 N 4.59 -0.58 -1.01 0.00 2.13 -1.24 -0.89 120.64 123.63 1mx7 n GLU 122 Ca -0.18 -0.05 -0.00 0.00 0.66 0.00 0.00 57.16 57.59 1mx7 n GLU 122 Cb 0.56 -1.91 -0.00 0.00 0.27 0.00 0.00 31.44 30.36 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 -1.93 0.45 3.13 8.31 0.00 -1.26 -5.02 105.19 108.88 1mx7 n GLY 123 Ca -0.13 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.89 1.61 -0.28 1.61 1.01 -0.07 -5.11 120.40 117.29 1mx7 s VAL 124 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1mx7 s VAL 124 Cb 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 35.03 1mx7 s VAL 124 CO 0.00 0.46 -0.07 -0.89 0.00 0.00 0.00 175.10 174.60 1mx7 s THR 125 N 0.42 2.30 0.06 3.92 2.01 -1.26 -0.53 115.64 122.56 1mx7 s THR 125 Ca -0.15 -1.71 -0.10 0.00 0.31 0.00 0.00 61.69 60.05 1mx7 s THR 125 Cb -0.16 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.89 1mx7 s THR 125 CO 0.06 -0.12 0.38 0.00 -0.69 0.00 0.00 174.62 174.25 1mx7 s LYS 127 N -1.82 1.88 -0.23 0.00 1.02 -1.23 0.37 119.74 119.74 1mx7 s LYS 127 Ca 0.31 -1.90 -0.28 0.00 0.02 0.00 0.00 55.97 54.13 1mx7 s LYS 127 Cb -0.14 0.40 0.13 0.00 -0.52 0.00 0.00 37.83 37.70 1mx7 s LYS 127 CO 0.17 -0.75 1.06 1.14 -0.92 0.00 0.00 175.35 176.06 1mx7 s GLN 128 N -3.15 0.49 -0.45 1.68 0.00 -1.24 -1.93 119.66 115.07 1mx7 s GLN 128 Ca 0.35 0.31 -0.04 0.00 -0.00 0.00 0.00 55.36 55.99 1mx7 s GLN 128 Cb 0.01 0.23 0.12 0.00 0.00 0.00 0.00 33.01 33.37 1mx7 s GLN 128 CO 0.24 -0.11 0.26 0.08 0.00 0.00 0.00 175.29 175.76 1mx7 s VAL 129 N -0.48 3.51 0.92 3.63 1.01 -0.88 -3.87 120.40 124.23 1mx7 s VAL 129 Ca 0.01 -2.15 -0.12 0.00 0.00 0.00 0.00 61.98 59.73 1mx7 s VAL 129 Cb -0.03 -3.37 0.14 0.00 0.00 0.00 0.00 36.38 33.13 1mx7 s VAL 129 CO -0.03 -0.73 1.13 -0.36 0.00 0.00 0.00 175.10 175.10 1mx7 s PHE 130 N 1.00 2.45 -0.38 5.22 0.08 -0.98 -2.21 117.98 123.16 1mx7 s PHE 130 Ca 0.09 0.89 0.12 0.00 0.12 0.00 0.00 56.93 58.15 1mx7 s PHE 130 Cb -0.23 -3.35 0.37 0.00 -0.57 0.00 0.00 43.02 39.23 1mx7 s PHE 130 CO -0.04 -2.44 0.88 1.17 -0.10 0.00 0.00 175.22 174.69 1mx7 n LYS 131 N -3.83 1.02 0.00 0.44 0.00 -0.85 -4.00 118.16 110.94 1mx7 n LYS 131 Ca 0.06 -2.98 0.00 0.00 0.00 0.00 0.00 58.31 55.39 1mx7 n LYS 131 Cb 0.59 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.22 1mx7 n LYS 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1mx7 n LYS 132 N 0.19 0.00 -0.30 1.64 0.00 -0.32 -4.40 118.16 114.97 1mx7 n LYS 132 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 1mx7 n LYS 132 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.74 1mx7 n LYS 132 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1mx7 n VAL 133 N 0.00 0.00 0.16 3.15 3.14 0.41 -0.50 118.33 124.70 1mx7 n VAL 133 Ca 0.00 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.39 1mx7 n VAL 133 Cb 0.00 -0.08 0.08 0.00 -1.06 0.00 0.00 33.84 32.78 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94