#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 -8.28 1.05 0.52 0.31 -1.26 -4.91 118.33 105.77 1mx7 n VAL 2 Ca 0.00 1.44 0.13 0.00 -0.01 0.00 0.00 64.34 65.90 1mx7 n VAL 2 Cb 0.00 -5.26 0.42 0.00 -0.91 0.00 0.00 33.84 28.09 1mx7 n VAL 2 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1mx7 n ASP 3 N 0.83 0.35 0.00 4.52 8.00 -1.26 -4.93 116.55 124.06 1mx7 n ASP 3 Ca -0.19 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1mx7 n ASP 3 Cb 0.30 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1mx7 n ASP 3 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1mx7 n PHE 4 N -1.41 0.00 -1.49 1.24 3.72 -1.26 -4.83 117.46 113.43 1mx7 n PHE 4 Ca 0.07 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.09 1mx7 n PHE 4 Cb 0.33 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.90 1mx7 n PHE 4 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1mx7 n ASN 5 N 0.54 -0.68 0.00 4.37 2.85 -1.26 -4.73 115.26 116.35 1mx7 n ASN 5 Ca 0.00 0.78 0.00 0.00 -0.11 0.00 0.00 54.58 55.25 1mx7 n ASN 5 Cb 0.00 -1.20 0.00 0.00 1.24 0.00 0.00 39.78 39.82 1mx7 n ASN 5 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mx7 n GLY 6 N 1.69 -0.97 0.00 8.20 0.00 -1.26 -5.05 105.19 107.81 1mx7 n GLY 6 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1mx7 n GLY 6 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1mx7 n TYR 7 N 0.00 -0.09 0.00 1.61 9.36 -1.26 -4.33 117.16 122.45 1mx7 n TYR 7 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1mx7 n TYR 7 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1mx7 n TYR 7 CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 1mx7 n TRP 8 N 0.00 -0.76 -0.03 2.98 4.27 -1.26 -4.71 117.44 117.92 1mx7 n TRP 8 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1mx7 n TRP 8 Cb 0.00 0.23 0.00 0.00 -1.36 0.00 0.00 31.31 30.18 1mx7 n TRP 8 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1mx7 n LYS 9 N -1.96 0.00 -1.03 -2.67 2.85 -1.23 -1.27 118.16 112.85 1mx7 n LYS 9 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 1mx7 n LYS 9 Cb 0.00 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 34.51 1mx7 n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1mx7 s MET 10 N 0.00 1.55 -0.10 -1.58 0.00 -1.26 -0.81 119.30 117.10 1mx7 s MET 10 Ca 0.00 1.62 -0.06 0.00 0.00 0.00 0.00 55.69 57.25 1mx7 s MET 10 Cb 0.00 -1.78 -0.05 0.00 0.00 0.00 0.00 34.83 33.00 1mx7 s MET 10 CO 0.00 -2.25 -0.15 -0.11 0.00 0.00 0.00 175.02 172.51 1mx7 n LEU 11 N -3.58 0.86 0.00 0.18 -0.00 0.85 -4.73 117.00 110.58 1mx7 n LEU 11 Ca 0.12 0.15 -0.05 0.00 -0.00 0.00 0.00 56.01 56.23 1mx7 n LEU 11 Cb 0.51 -0.35 -0.01 0.00 -0.00 0.00 0.00 43.42 43.57 1mx7 n LEU 11 CO 0.49 0.15 0.03 -1.54 -0.00 0.00 0.00 177.39 176.52 1mx7 n SER 12 N -3.55 -0.36 -3.64 1.96 3.41 -0.90 -4.96 113.62 105.57 1mx7 n SER 12 Ca -0.21 -1.59 -0.05 0.00 -0.26 0.00 0.00 58.87 56.76 1mx7 n SER 12 Cb 0.61 0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 65.20 1mx7 n SER 12 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1mx7 s ASN 13 N -1.67 -0.47 0.12 4.04 0.01 -1.26 -3.62 114.94 112.09 1mx7 s ASN 13 Ca 0.10 0.81 -0.18 0.00 -0.71 0.00 0.00 52.86 52.87 1mx7 s ASN 13 Cb -0.00 1.05 0.04 0.00 0.41 0.00 0.00 41.25 42.76 1mx7 s ASN 13 CO 0.07 -0.13 0.46 -1.83 -1.51 0.00 0.00 177.10 174.15 1mx7 s GLU 14 N 0.91 1.11 0.00 -0.60 -1.05 -0.97 -4.93 118.70 113.17 1mx7 s GLU 14 Ca -0.04 -0.60 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1mx7 s GLU 14 Cb -0.04 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1mx7 s GLU 14 CO -0.12 -0.44 0.00 -1.71 0.95 0.00 0.00 175.26 173.94 1mx7 n ASN 15 N -0.19 -2.38 0.26 0.83 2.85 -1.26 -2.96 115.26 112.42 1mx7 n ASN 15 Ca -0.17 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.48 1mx7 n ASN 15 Cb 0.64 -1.38 0.92 0.00 1.24 0.00 0.00 39.78 41.20 1mx7 n ASN 15 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 1mx7 h PHE 16 N 0.00 0.00 0.20 1.20 -5.15 -1.91 -2.29 116.94 108.98 1mx7 h PHE 16 Ca 0.00 0.00 -0.28 0.00 -0.20 0.00 0.00 57.97 57.49 1mx7 h PHE 16 Cb 0.22 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.43 1mx7 h PHE 16 CO 0.14 0.00 -1.22 0.93 -2.00 0.00 0.00 178.31 176.16 1mx7 h GLU 17 N 0.00 0.48 0.00 6.09 5.08 -1.96 -3.04 114.58 121.23 1mx7 h GLU 17 Ca 0.04 -0.78 -0.08 0.00 -1.00 0.00 0.00 59.36 57.54 1mx7 h GLU 17 Cb 0.32 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1mx7 h GLU 17 CO -0.00 1.37 -0.40 1.49 -1.00 0.00 0.00 179.01 180.47 1mx7 h GLU 18 N 0.00 0.00 0.50 2.33 4.57 -1.90 -1.65 114.58 118.43 1mx7 h GLU 18 Ca -0.21 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1mx7 h GLU 18 Cb 1.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.54 1mx7 h GLU 18 CO 0.23 0.40 -0.24 -0.92 -1.18 0.00 0.00 179.01 177.29 1mx7 h TYR 19 N 0.00 -0.63 0.00 0.92 3.20 -1.48 -0.33 116.97 118.65 1mx7 h TYR 19 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1mx7 h TYR 19 Cb 0.85 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 1mx7 h TYR 19 CO 0.00 -0.32 -0.09 1.37 -1.64 0.00 0.00 178.16 177.48 1mx7 h LEU 20 N -1.07 0.00 -0.25 2.82 8.10 -1.56 -1.91 115.31 121.45 1mx7 h LEU 20 Ca -0.07 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.71 1mx7 h LEU 20 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.81 1mx7 h LEU 20 CO 0.11 0.09 -0.88 -0.09 -4.11 0.00 0.00 178.44 173.57 1mx7 h ARG 21 N 0.00 0.36 -0.40 0.17 2.43 -1.26 -1.52 114.38 114.17 1mx7 h ARG 21 Ca -0.00 -0.37 -0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1mx7 h ARG 21 Cb 0.45 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1mx7 h ARG 21 CO 0.01 1.04 0.12 0.00 -1.51 0.00 0.00 179.97 179.64 1mx7 h ALA 22 N 0.83 0.52 0.06 2.80 0.00 -0.25 -3.19 119.26 120.04 1mx7 h ALA 22 Ca -0.06 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 1mx7 h ALA 22 Cb 1.50 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1mx7 h ALA 22 CO 0.15 0.17 -1.08 -0.07 0.00 0.00 0.00 179.25 178.42 1mx7 h LEU 23 N 0.50 0.37 -1.77 0.00 3.38 -1.53 -3.47 115.31 112.78 1mx7 h LEU 23 Ca 0.13 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1mx7 h LEU 23 Cb 0.27 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1mx7 h LEU 23 CO -0.00 1.22 0.00 0.47 0.09 0.00 0.00 178.44 180.22 1mx7 n ASP 24 N -3.58 -1.94 -4.90 -0.43 9.92 -0.59 -5.09 116.55 109.95 1mx7 n ASP 24 Ca -0.06 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.91 1mx7 n ASP 24 Cb 0.93 -0.48 0.04 0.00 -0.64 0.00 0.00 41.12 40.97 1mx7 n ASP 24 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1mx7 s VAL 25 N -2.94 3.61 0.38 2.53 -7.23 -1.10 -4.99 120.40 110.66 1mx7 s VAL 25 Ca 0.00 0.28 -0.16 0.00 -1.81 0.00 0.00 61.98 60.28 1mx7 s VAL 25 Cb 0.00 -3.48 -0.13 0.00 0.56 0.00 0.00 36.38 33.33 1mx7 s VAL 25 CO 0.00 -0.57 -0.01 0.59 -0.31 0.00 0.00 175.10 174.79 1mx7 n ASN 26 N -2.80 -2.72 0.01 4.85 3.02 -1.26 -4.92 115.26 111.43 1mx7 n ASN 26 Ca 0.06 0.62 -0.08 0.00 -0.03 0.00 0.00 54.58 55.14 1mx7 n ASN 26 Cb 0.57 -0.72 0.08 0.00 -0.61 0.00 0.00 39.78 39.10 1mx7 n ASN 26 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1mx7 h VAL 27 N 0.14 1.32 0.00 2.41 2.07 -2.00 -3.12 116.25 117.07 1mx7 h VAL 27 Ca -0.32 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 1mx7 h VAL 27 Cb 1.21 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1mx7 h VAL 27 CO 0.37 0.54 -0.07 0.00 0.02 0.00 0.00 177.57 178.43 1mx7 h ALA 28 N 1.04 1.00 -0.36 1.67 0.00 -2.02 -3.18 119.26 117.41 1mx7 h ALA 28 Ca 0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1mx7 h ALA 28 Cb 1.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1mx7 h ALA 28 CO 0.09 0.08 -0.23 1.25 0.00 0.00 0.00 179.25 180.44 1mx7 h LEU 29 N 0.00 0.83 -1.36 0.00 6.46 -1.90 -3.10 115.31 116.23 1mx7 h LEU 29 Ca -0.00 -0.43 0.09 0.00 -0.12 0.00 0.00 57.88 57.42 1mx7 h LEU 29 Cb 0.68 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.33 1mx7 h LEU 29 CO 0.01 1.08 0.51 -0.09 -0.62 0.00 0.00 178.44 179.32 1mx7 h ARG 30 N 0.58 0.70 -0.41 1.25 2.43 -1.65 0.25 114.38 117.53 1mx7 h ARG 30 Ca 0.07 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1mx7 h ARG 30 Cb 0.79 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1mx7 h ARG 30 CO 0.06 0.47 -0.27 -0.22 -1.51 0.00 0.00 179.97 178.50 1mx7 h LYS 31 N 0.72 0.88 0.21 0.20 3.11 -1.66 -2.65 116.57 117.39 1mx7 h LYS 31 Ca 0.35 -0.39 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1mx7 h LYS 31 Cb 0.41 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1mx7 h LYS 31 CO -0.13 1.04 -0.10 0.82 -2.81 0.00 0.00 179.45 178.27 1mx7 h ILE 32 N 0.75 0.19 -1.08 2.00 2.04 -1.28 -3.34 117.51 116.78 1mx7 h ILE 32 Ca 0.09 -0.89 0.30 0.00 1.00 0.00 0.00 64.86 65.36 1mx7 h ILE 32 Cb 0.83 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1mx7 h ILE 32 CO 0.07 0.05 0.76 0.00 0.00 0.00 0.00 178.15 179.03 1mx7 h ALA 33 N -0.93 2.80 0.00 1.87 0.00 -0.62 0.31 119.26 122.68 1mx7 h ALA 33 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1mx7 h ALA 33 Cb 0.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1mx7 h ALA 33 CO 0.05 -1.14 0.00 -0.97 0.00 0.00 0.00 179.25 177.19 1mx7 h ASN 34 N 0.12 0.00 -0.01 0.00 -1.24 -1.59 -2.46 115.58 110.41 1mx7 h ASN 34 Ca 0.55 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.56 1mx7 h ASN 34 Cb 1.92 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.97 1mx7 h ASN 34 CO -0.09 0.00 -0.52 0.18 -1.29 0.00 0.00 177.43 175.71 1mx7 n LEU 35 N -2.81 1.15 -4.92 0.34 4.77 0.11 -5.00 117.00 110.63 1mx7 n LEU 35 Ca -0.00 -0.63 -0.27 0.00 -0.03 0.00 0.00 56.01 55.07 1mx7 n LEU 35 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1mx7 n LEU 35 CO 0.21 0.24 0.05 -0.76 -1.33 0.00 0.00 177.39 175.80 1mx7 s LEU 36 N -2.36 4.20 -0.29 2.23 2.01 -0.93 -5.08 118.68 118.46 1mx7 s LEU 36 Ca 0.09 0.44 -0.04 0.00 0.01 0.00 0.00 54.13 54.63 1mx7 s LEU 36 Cb 0.12 -3.21 0.10 0.00 0.01 0.00 0.00 46.19 43.21 1mx7 s LEU 36 CO 0.51 -0.07 0.13 -0.54 1.01 0.00 0.00 176.35 177.39 1mx7 s LYS 37 N -3.37 0.19 0.95 1.70 1.02 -1.26 -4.97 119.74 114.00 1mx7 s LYS 37 Ca 0.39 -0.52 -0.12 0.00 0.02 0.00 0.00 55.97 55.74 1mx7 s LYS 37 Cb -0.11 -1.19 0.16 0.00 -0.52 0.00 0.00 37.83 36.17 1mx7 s LYS 37 CO 0.29 -1.01 1.09 -2.14 -0.92 0.00 0.00 175.35 172.67 1mx7 s PRO 38 N 2.10 0.83 0.32 -1.68 0.02 -1.26 -5.04 135.00 130.28 1mx7 s PRO 38 Ca 0.09 0.64 0.06 0.00 0.02 0.00 0.00 61.00 61.82 1mx7 s PRO 38 Cb -0.16 -1.77 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 1mx7 s PRO 38 CO -0.36 -2.49 -0.03 0.16 -0.33 0.00 0.00 177.00 173.95 1mx7 s ASP 39 N -3.46 2.95 -0.39 2.53 1.47 -1.26 -4.58 116.67 113.93 1mx7 s ASP 39 Ca 0.64 -1.26 0.05 0.00 1.18 0.00 0.00 52.55 53.17 1mx7 s ASP 39 Cb -0.18 -0.21 0.17 0.00 -0.34 0.00 0.00 42.92 42.36 1mx7 s ASP 39 CO 0.57 -0.40 0.48 -0.75 0.68 0.00 0.00 175.17 175.75 1mx7 s LYS 40 N -3.75 0.72 -0.60 2.11 2.20 -1.26 -3.96 119.74 115.21 1mx7 s LYS 40 Ca 0.32 -0.63 -0.24 0.00 -0.36 0.00 0.00 55.97 55.06 1mx7 s LYS 40 Cb 0.06 -0.39 0.05 0.00 -1.51 0.00 0.00 37.83 36.03 1mx7 s LYS 40 CO 0.14 -1.20 0.99 -2.00 -0.36 0.00 0.00 175.35 172.93 1mx7 s GLU 41 N 1.58 3.28 0.16 4.03 2.12 -1.05 -4.32 118.70 124.50 1mx7 s GLU 41 Ca 0.17 -0.36 -0.12 0.00 0.36 0.00 0.00 54.97 55.02 1mx7 s GLU 41 Cb -0.11 -4.10 -0.07 0.00 0.26 0.00 0.00 34.13 30.11 1mx7 s GLU 41 CO -0.04 -1.64 0.52 0.42 -0.54 0.00 0.00 175.26 173.98 1mx7 s ILE 42 N 4.21 4.93 -0.19 -3.70 1.01 -1.26 -2.76 121.20 123.44 1mx7 s ILE 42 Ca 0.30 0.64 -0.07 0.00 0.00 0.00 0.00 60.65 61.51 1mx7 s ILE 42 Cb -0.13 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.74 1mx7 s ILE 42 CO 0.17 0.16 0.40 -0.69 0.00 0.00 0.00 174.94 174.98 1mx7 s VAL 43 N -1.56 -0.53 0.07 2.92 1.01 -0.78 -4.03 120.40 117.50 1mx7 s VAL 43 Ca 0.40 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.62 1mx7 s VAL 43 Cb -0.14 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1mx7 s VAL 43 CO 0.20 0.07 -0.16 0.00 0.00 0.00 0.00 175.10 175.21 1mx7 s GLN 44 N 2.41 2.04 -0.51 2.72 -2.07 -1.26 -0.48 119.66 122.51 1mx7 s GLN 44 Ca -0.03 -1.03 0.06 0.00 -1.82 0.00 0.00 55.36 52.55 1mx7 s GLN 44 Cb -0.11 -2.22 0.22 0.00 -1.09 0.00 0.00 33.01 29.81 1mx7 s GLN 44 CO -0.12 0.52 0.54 -3.47 -1.32 0.00 0.00 175.29 171.44 1mx7 n ASP 45 N 1.16 1.40 0.00 12.60 -0.08 0.14 -4.98 116.55 126.80 1mx7 n ASP 45 Ca -0.15 -2.90 0.00 0.00 -1.51 0.00 0.00 54.79 50.23 1mx7 n ASP 45 Cb 0.52 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.34 1mx7 n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mx7 n GLY 46 N 1.66 1.56 0.04 0.27 0.00 -1.26 -3.30 105.19 104.16 1mx7 n GLY 46 Ca 0.25 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 5.20 0.63 -4.75 1.61 5.75 -1.26 -4.86 116.55 118.87 1mx7 n ASP 47 Ca 0.00 -0.14 -0.40 0.00 -0.01 0.00 0.00 54.79 54.24 1mx7 n ASP 47 Cb 0.00 0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 40.55 1mx7 n ASP 47 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1mx7 s HIS 48 N -3.15 3.92 0.01 2.11 2.46 -1.21 -2.74 115.29 116.69 1mx7 s HIS 48 Ca 0.06 1.81 0.02 0.00 0.47 0.00 0.00 55.06 57.42 1mx7 s HIS 48 Cb 0.15 -2.95 -0.01 0.00 -0.13 0.00 0.00 32.58 29.64 1mx7 s HIS 48 CO 0.76 0.40 -0.07 1.41 -2.47 0.00 0.00 174.74 174.77 1mx7 s MET 49 N -0.82 0.56 -0.10 2.88 1.75 0.13 0.27 119.30 123.96 1mx7 s MET 49 Ca 0.41 -0.36 0.01 0.00 -1.25 0.00 0.00 55.69 54.50 1mx7 s MET 49 Cb -0.25 -0.51 0.02 0.00 2.84 0.00 0.00 34.83 36.94 1mx7 s MET 49 CO 0.30 0.13 -0.13 0.42 -0.65 0.00 0.00 175.02 175.10 1mx7 s ILE 50 N -0.41 1.31 -0.47 10.11 1.01 0.37 -0.17 121.20 132.95 1mx7 s ILE 50 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 1mx7 s ILE 50 Cb -0.04 -1.23 0.12 0.00 0.01 0.00 0.00 42.46 41.32 1mx7 s ILE 50 CO -0.00 0.41 0.34 -0.63 0.00 0.00 0.00 174.94 175.06 1mx7 s ILE 51 N 1.15 4.21 -0.17 2.92 1.09 -1.24 -1.87 121.20 127.29 1mx7 s ILE 51 Ca -0.04 -1.78 -0.17 0.00 -1.10 0.00 0.00 60.65 57.57 1mx7 s ILE 51 Cb -0.14 -3.77 -0.04 0.00 -1.06 0.00 0.00 42.46 37.45 1mx7 s ILE 51 CO -0.03 -0.77 0.42 -0.60 -0.10 0.00 0.00 174.94 173.86 1mx7 s ARG 52 N 1.36 4.25 -0.24 2.79 3.52 -1.11 -3.39 118.95 126.13 1mx7 s ARG 52 Ca 0.06 0.29 -0.07 0.00 -0.13 0.00 0.00 55.73 55.87 1mx7 s ARG 52 Cb -0.26 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 1mx7 s ARG 52 CO -0.01 0.06 0.05 0.99 -0.81 0.00 0.00 175.30 175.59 1mx7 s THR 53 N 0.97 4.23 -0.90 4.11 2.01 -1.25 -2.53 115.64 122.28 1mx7 s THR 53 Ca 0.21 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1mx7 s THR 53 Cb -0.15 -2.96 0.33 0.00 0.01 0.00 0.00 72.50 69.73 1mx7 s THR 53 CO 0.08 0.37 1.69 0.18 -0.69 0.00 0.00 174.62 176.24 1mx7 n LEU 54 N 4.71 6.82 -4.93 4.42 4.32 -1.25 -4.38 117.00 126.71 1mx7 n LEU 54 Ca -0.16 -5.35 -0.27 0.00 -0.02 0.00 0.00 56.01 50.20 1mx7 n LEU 54 Cb 0.51 -1.03 0.10 0.00 -1.62 0.00 0.00 43.42 41.39 1mx7 n LEU 54 CO 0.31 2.06 0.72 -0.55 -1.22 0.00 0.00 177.39 178.71 1mx7 s SER 55 N -1.74 4.30 -0.18 -1.43 0.15 -1.24 -4.71 113.70 108.85 1mx7 s SER 55 Ca 0.43 0.42 0.02 0.00 0.70 0.00 0.00 55.95 57.52 1mx7 s SER 55 Cb 0.25 -0.87 -0.12 0.00 -1.71 0.00 0.00 66.02 63.57 1mx7 s SER 55 CO -0.18 -1.96 -0.15 1.07 1.20 0.00 0.00 173.24 173.22 1mx7 n THR 56 N -3.21 1.03 0.24 6.45 5.66 -1.26 -4.40 114.28 118.80 1mx7 n THR 56 Ca 0.10 -0.41 0.13 0.00 -3.05 0.00 0.00 64.05 60.82 1mx7 n THR 56 Cb 0.60 -1.11 0.50 0.00 -1.55 0.00 0.00 70.33 68.78 1mx7 n THR 56 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1mx7 h PHE 57 N 0.00 0.00 -2.15 1.09 -1.00 -2.03 -3.46 116.94 109.39 1mx7 h PHE 57 Ca -0.40 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.36 1mx7 h PHE 57 Cb 1.64 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.20 1mx7 h PHE 57 CO 0.02 0.11 -0.00 2.89 -1.61 0.00 0.00 178.31 179.72 1mx7 n ARG 58 N -3.22 0.07 -2.66 1.51 1.85 -1.26 -5.13 116.66 107.82 1mx7 n ARG 58 Ca 0.01 -0.23 -0.02 0.00 -1.00 0.00 0.00 57.85 56.61 1mx7 n ARG 58 Cb 0.40 0.24 0.03 0.00 -1.05 0.00 0.00 32.46 32.08 1mx7 n ARG 58 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1mx7 s ASN 59 N -1.19 -0.04 -0.16 2.89 2.20 -1.26 -3.66 114.94 113.72 1mx7 s ASN 59 Ca 0.02 -0.04 -0.17 0.00 -0.94 0.00 0.00 52.86 51.74 1mx7 s ASN 59 Cb -0.00 0.05 -0.04 0.00 -2.00 0.00 0.00 41.25 39.26 1mx7 s ASN 59 CO 0.02 -0.00 0.43 -0.72 -2.94 0.00 0.00 177.10 173.89 1mx7 s TYR 60 N 1.22 3.44 -0.10 1.54 1.13 -1.26 -5.00 117.35 118.33 1mx7 s TYR 60 Ca 0.20 0.75 -0.01 0.00 -1.41 0.00 0.00 57.07 56.60 1mx7 s TYR 60 Cb 0.13 -2.53 -0.03 0.00 -1.10 0.00 0.00 41.96 38.43 1mx7 s TYR 60 CO -0.13 0.09 -0.03 0.42 -2.51 0.00 0.00 175.55 173.39 1mx7 s ILE 61 N 0.94 4.00 0.30 -3.49 -1.09 -1.26 -3.97 121.20 116.63 1mx7 s ILE 61 Ca 0.22 -0.36 0.08 0.00 -2.23 0.00 0.00 60.65 58.37 1mx7 s ILE 61 Cb -0.15 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 1mx7 s ILE 61 CO 0.08 0.58 0.12 -0.04 -1.23 0.00 0.00 174.94 174.45 1mx7 s MET 62 N -0.57 2.46 -0.43 2.79 -1.94 -1.22 -5.05 119.30 115.34 1mx7 s MET 62 Ca 0.09 -1.41 0.05 0.00 -1.71 0.00 0.00 55.69 52.71 1mx7 s MET 62 Cb -0.12 -2.26 0.19 0.00 2.01 0.00 0.00 34.83 34.65 1mx7 s MET 62 CO 0.02 0.23 0.46 -0.40 -0.01 0.00 0.00 175.02 175.31 1mx7 n ASP 63 N -1.10 -1.06 -4.68 3.03 5.75 -1.26 -3.70 116.55 113.53 1mx7 n ASP 63 Ca -0.05 -2.55 -0.41 0.00 -0.01 0.00 0.00 54.79 51.78 1mx7 n ASP 63 Cb 0.60 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.60 1mx7 n ASP 63 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1mx7 s PHE 64 N 0.07 3.45 -0.10 2.11 0.40 0.76 -4.91 117.98 119.77 1mx7 s PHE 64 Ca 0.33 1.21 -0.03 0.00 -0.60 0.00 0.00 56.93 57.84 1mx7 s PHE 64 Cb 0.06 -2.94 -0.03 0.00 0.51 0.00 0.00 43.02 40.62 1mx7 s PHE 64 CO -0.16 -0.15 0.03 -1.14 0.70 0.00 0.00 175.22 174.49 1mx7 s GLN 65 N 1.79 3.10 -0.25 0.44 0.74 -1.26 0.21 119.66 124.43 1mx7 s GLN 65 Ca 0.37 -0.36 -0.16 0.00 0.05 0.00 0.00 55.36 55.25 1mx7 s GLN 65 Cb -0.17 -2.87 -0.03 0.00 1.10 0.00 0.00 33.01 31.04 1mx7 s GLN 65 CO 0.14 0.70 0.44 0.54 -0.55 0.00 0.00 175.29 176.56 1mx7 s VAL 66 N -0.85 5.13 0.00 1.34 0.11 -1.11 -3.99 120.40 121.03 1mx7 s VAL 66 Ca 0.13 0.74 0.00 0.00 -2.93 0.00 0.00 61.98 59.92 1mx7 s VAL 66 Cb -0.11 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 1mx7 s VAL 66 CO 0.03 0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 1mx7 n GLY 67 N 4.38 1.21 3.70 6.54 0.00 -1.05 -4.99 105.19 114.97 1mx7 n GLY 67 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.88 3.14 0.14 1.61 2.47 -1.26 -5.02 119.74 119.94 1mx7 s LYS 68 Ca 0.00 -0.37 -0.30 0.00 -1.56 0.00 0.00 55.97 53.75 1mx7 s LYS 68 Cb 0.00 -2.88 -0.07 0.00 -1.46 0.00 0.00 37.83 33.42 1mx7 s LYS 68 CO 0.00 0.67 0.95 -2.00 0.16 0.00 0.00 175.35 175.13 1mx7 s GLU 69 N -0.78 4.73 0.38 4.03 2.12 -1.26 -4.26 118.70 123.66 1mx7 s GLU 69 Ca 0.12 1.45 0.08 0.00 0.36 0.00 0.00 54.97 56.98 1mx7 s GLU 69 Cb -0.12 -3.35 -0.06 0.00 0.26 0.00 0.00 34.13 30.86 1mx7 s GLU 69 CO 0.02 0.29 0.07 -0.06 -0.54 0.00 0.00 175.26 175.04 1mx7 s PHE 70 N -0.29 2.56 -0.43 5.30 0.40 -0.01 -5.03 117.98 120.48 1mx7 s PHE 70 Ca 0.45 -0.54 0.03 0.00 -0.60 0.00 0.00 56.93 56.28 1mx7 s PHE 70 Cb -0.24 -1.71 0.16 0.00 0.51 0.00 0.00 43.02 41.75 1mx7 s PHE 70 CO 0.30 0.37 0.32 -2.00 0.70 0.00 0.00 175.22 174.92 1mx7 s GLU 71 N -3.78 1.00 0.15 0.44 2.12 -1.26 -2.57 118.70 114.80 1mx7 s GLU 71 Ca 0.37 -2.07 -0.30 0.00 0.36 0.00 0.00 54.97 53.33 1mx7 s GLU 71 Cb 0.03 -1.64 -0.07 0.00 0.26 0.00 0.00 34.13 32.71 1mx7 s GLU 71 CO 0.20 -1.33 1.20 -1.21 -0.54 0.00 0.00 175.26 173.58 1mx7 s GLU 72 N 0.14 4.48 -0.01 4.30 2.02 -1.24 -4.91 118.70 123.47 1mx7 s GLU 72 Ca 0.28 1.84 0.17 0.00 0.02 0.00 0.00 54.97 57.28 1mx7 s GLU 72 Cb -0.04 -3.27 -0.21 0.00 0.10 0.00 0.00 34.13 30.71 1mx7 s GLU 72 CO -0.14 -0.13 0.57 -3.47 0.02 0.00 0.00 175.26 172.11 1mx7 n ASP 73 N 2.92 0.91 0.00 -0.19 -0.08 -1.26 -3.18 116.55 115.67 1mx7 n ASP 73 Ca 0.06 -0.55 0.00 0.00 -1.51 0.00 0.00 54.79 52.79 1mx7 n ASP 73 Cb 0.45 1.30 0.00 0.00 2.34 0.00 0.00 41.12 45.21 1mx7 n ASP 73 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1mx7 n LEU 74 N -1.66 0.00 -3.44 -2.67 4.32 -1.26 -4.42 117.00 107.88 1mx7 n LEU 74 Ca 0.01 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.78 1mx7 n LEU 74 Cb 0.33 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.18 1mx7 n LEU 74 CO 0.34 0.00 -0.00 0.41 -1.22 0.00 0.00 177.39 176.92 1mx7 n THR 75 N 0.00 -7.66 0.00 -5.08 -1.04 -1.26 -4.98 114.28 94.26 1mx7 n THR 75 Ca 0.00 -1.09 0.00 0.00 -2.04 0.00 0.00 64.05 60.92 1mx7 n THR 75 Cb 0.00 -5.51 0.00 0.00 -1.82 0.00 0.00 70.33 63.00 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 -1.47 2.18 5.00 3.41 0.00 -1.26 -4.96 105.19 108.09 1mx7 n GLY 76 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.29 0.00 0.00 -0.61 5.41 -1.26 -3.89 119.36 118.72 1mx7 n ILE 77 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1mx7 n ILE 77 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1mx7 n ILE 77 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1mx7 n ASP 78 N 2.49 0.00 0.00 4.38 5.68 -1.26 -4.75 116.55 123.09 1mx7 n ASP 78 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1mx7 n ASP 78 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1mx7 n ASP 78 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1mx7 n ASP 79 N -1.30 0.00 -4.95 -1.12 5.75 -1.25 -4.94 116.55 108.74 1mx7 n ASP 79 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.54 1mx7 n ASP 79 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1mx7 n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1mx7 s ARG 80 N 0.00 3.05 0.54 0.11 3.52 -1.26 -4.66 118.95 120.24 1mx7 s ARG 80 Ca 0.00 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 1mx7 s ARG 80 Cb 0.00 -2.51 0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1mx7 s ARG 80 CO 0.00 -0.35 0.21 0.15 -0.81 0.00 0.00 175.30 174.51 1mx7 s LYS 81 N -4.63 2.23 0.00 5.12 1.02 -1.26 -4.06 119.74 118.15 1mx7 s LYS 81 Ca 0.49 -2.23 0.00 0.00 0.02 0.00 0.00 55.97 54.25 1mx7 s LYS 81 Cb -0.10 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1mx7 s LYS 81 CO 0.39 -0.52 0.00 0.00 -0.92 0.00 0.00 175.35 174.30 1mx7 s MET 83 N -2.00 2.24 0.12 0.00 1.75 -1.16 -3.70 119.30 116.55 1mx7 s MET 83 Ca 0.00 -1.38 0.08 0.00 -1.25 0.00 0.00 55.69 53.14 1mx7 s MET 83 Cb 0.00 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.57 1mx7 s MET 83 CO 0.00 -0.64 -0.15 0.99 -0.65 0.00 0.00 175.02 174.57 1mx7 s THR 84 N 1.15 3.03 -0.14 10.11 2.01 -1.06 -2.88 115.64 127.86 1mx7 s THR 84 Ca -0.05 -1.44 -0.04 0.00 0.31 0.00 0.00 61.69 60.47 1mx7 s THR 84 Cb -0.20 -2.41 0.06 0.00 0.01 0.00 0.00 72.50 69.97 1mx7 s THR 84 CO -0.04 0.09 0.15 -0.89 -0.69 0.00 0.00 174.62 173.24 1mx7 s THR 85 N -1.20 -0.21 0.01 -0.82 2.01 -1.25 -0.83 115.64 113.35 1mx7 s THR 85 Ca 0.19 0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 1mx7 s THR 85 Cb -0.11 -0.46 -0.06 0.00 0.01 0.00 0.00 72.50 71.89 1mx7 s THR 85 CO 0.12 -0.07 0.58 -0.69 -0.69 0.00 0.00 174.62 173.87 1mx7 s VAL 86 N 2.24 4.88 0.34 3.82 1.01 -1.26 -3.98 120.40 127.46 1mx7 s VAL 86 Ca 0.04 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.27 1mx7 s VAL 86 Cb -0.14 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1mx7 s VAL 86 CO -0.08 0.45 0.17 -0.55 0.00 0.00 0.00 175.10 175.09 1mx7 s SER 87 N -0.40 1.98 -0.44 3.32 0.15 -0.97 -2.54 113.70 114.80 1mx7 s SER 87 Ca 0.30 -1.62 0.03 0.00 0.70 0.00 0.00 55.95 55.35 1mx7 s SER 87 Cb -0.18 0.44 0.13 0.00 -1.71 0.00 0.00 66.02 64.69 1mx7 s SER 87 CO 0.17 -0.92 0.21 0.26 1.20 0.00 0.00 173.24 174.16 1mx7 s TRP 88 N -3.45 2.50 -1.13 3.44 0.52 -1.26 -3.70 118.94 115.87 1mx7 s TRP 88 Ca 0.33 -2.64 -0.16 0.00 0.02 0.00 0.00 56.10 53.64 1mx7 s TRP 88 Cb 0.04 -2.26 0.14 0.00 -1.15 0.00 0.00 33.47 30.23 1mx7 s TRP 88 CO 0.18 -0.80 1.40 -0.51 0.02 0.00 0.00 176.95 177.24 1mx7 s ASP 89 N 0.36 6.88 1.42 2.95 1.11 -1.09 -4.82 116.67 123.47 1mx7 s ASP 89 Ca 0.16 -2.54 0.00 0.00 0.18 0.00 0.00 52.55 50.34 1mx7 s ASP 89 Cb -0.24 -2.44 0.00 0.00 1.07 0.00 0.00 42.92 41.32 1mx7 s ASP 89 CO -0.03 -0.95 0.00 0.61 1.18 0.00 0.00 175.17 175.98 1mx7 n GLY 90 N 4.88 1.00 2.84 0.21 0.00 -1.26 -2.48 105.19 110.38 1mx7 n GLY 90 Ca 0.35 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 46.47 1mx7 n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mx7 n ASP 91 N 10.02 5.27 -3.64 1.61 9.92 -1.26 -5.00 116.55 133.46 1mx7 n ASP 91 Ca 0.00 -3.67 -0.13 0.00 -0.53 0.00 0.00 54.79 50.45 1mx7 n ASP 91 Cb 0.00 -0.74 -0.07 0.00 -0.64 0.00 0.00 41.12 39.67 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 -3.65 0.78 -0.74 -1.24 1.02 -1.04 -4.75 119.74 110.12 1mx7 s LYS 92 Ca 0.46 0.96 -0.17 0.00 0.02 0.00 0.00 55.97 57.24 1mx7 s LYS 92 Cb 0.25 0.36 0.15 0.00 -0.52 0.00 0.00 37.83 38.07 1mx7 s LYS 92 CO -0.13 -0.10 0.81 -1.17 -0.92 0.00 0.00 175.35 173.84 1mx7 s LEU 93 N 0.47 5.79 -0.12 3.17 0.20 -0.84 -2.68 118.68 124.67 1mx7 s LEU 93 Ca -0.01 -1.99 -0.05 0.00 0.69 0.00 0.00 54.13 52.77 1mx7 s LEU 93 Cb -0.05 -2.29 -0.04 0.00 -0.43 0.00 0.00 46.19 43.38 1mx7 s LEU 93 CO -0.01 -0.92 0.06 -1.10 -0.29 0.00 0.00 176.35 174.09 1mx7 s GLN 94 N 1.84 3.34 -0.06 1.98 -0.21 -1.24 -1.15 119.66 124.16 1mx7 s GLN 94 Ca 0.18 -0.30 -0.02 0.00 0.02 0.00 0.00 55.36 55.23 1mx7 s GLN 94 Cb -0.16 -3.01 0.04 0.00 1.00 0.00 0.00 33.01 30.88 1mx7 s GLN 94 CO -0.02 0.64 0.13 0.00 -2.12 0.00 0.00 175.29 173.91 1mx7 s VAL 96 N 1.25 2.67 -0.39 0.00 1.01 -1.26 -2.89 120.40 120.80 1mx7 s VAL 96 Ca -0.08 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1mx7 s VAL 96 Cb -0.12 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1mx7 s VAL 96 CO -0.05 0.50 0.23 -1.10 0.00 0.00 0.00 175.10 174.68 1mx7 s GLN 97 N 1.07 2.72 -0.23 2.72 -0.21 -1.05 -3.79 119.66 120.89 1mx7 s GLN 97 Ca -0.00 -1.26 -0.23 0.00 0.02 0.00 0.00 55.36 53.89 1mx7 s GLN 97 Cb -0.14 -3.75 -0.01 0.00 1.00 0.00 0.00 33.01 30.10 1mx7 s GLN 97 CO -0.04 -0.82 0.73 0.21 -2.12 0.00 0.00 175.29 173.25 1mx7 s LYS 98 N 1.49 4.17 0.00 2.91 2.20 -1.14 -4.36 119.74 125.01 1mx7 s LYS 98 Ca 0.02 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1mx7 s LYS 98 Cb -0.21 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 1mx7 s LYS 98 CO 0.04 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1mx7 n GLY 99 N 3.89 5.08 0.05 5.54 0.00 -1.26 -3.00 105.19 115.49 1mx7 n GLY 99 Ca 0.02 -1.07 0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 0.92 -0.45 1.61 1.02 -1.26 -4.86 120.64 117.62 1mx7 n GLU 100 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1mx7 n GLU 100 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1mx7 n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mx7 n LYS 101 N -0.95 1.22 -1.32 3.49 5.02 -1.26 -5.06 118.16 119.30 1mx7 n LYS 101 Ca 0.21 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.53 1mx7 n LYS 101 Cb 0.17 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.26 1mx7 n LYS 101 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1mx7 n GLU 102 N -0.67 0.74 0.00 1.97 0.28 -1.26 -4.90 120.64 116.80 1mx7 n GLU 102 Ca 0.00 -2.59 0.00 0.00 -0.16 0.00 0.00 57.16 54.41 1mx7 n GLU 102 Cb 0.00 -0.69 0.00 0.00 1.43 0.00 0.00 31.44 32.18 1mx7 n GLU 102 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1mx7 n GLY 103 N -0.13 0.00 3.80 -1.84 0.00 -1.26 -4.77 105.19 100.99 1mx7 n GLY 103 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1mx7 n GLY 103 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mx7 s ARG 104 N 0.00 3.98 0.00 1.61 1.70 -1.26 -2.92 118.95 122.06 1mx7 s ARG 104 Ca 0.00 0.21 0.00 0.00 -0.47 0.00 0.00 55.73 55.47 1mx7 s ARG 104 Cb 0.00 -3.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 1mx7 s ARG 104 CO 0.00 0.51 0.00 0.41 -1.08 0.00 0.00 175.30 175.14 1mx7 n GLY 105 N 2.49 4.31 3.33 3.88 0.00 -1.22 -2.52 105.19 115.45 1mx7 n GLY 105 Ca -0.14 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 1mx7 n GLY 105 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mx7 n TRP 106 N -1.59 0.38 -3.65 1.61 8.01 -1.14 -3.64 117.44 117.42 1mx7 n TRP 106 Ca 0.00 -2.19 -0.06 0.00 -1.31 0.00 0.00 57.50 53.94 1mx7 n TRP 106 Cb 0.00 -0.34 -0.07 0.00 -2.01 0.00 0.00 31.31 28.89 1mx7 n TRP 106 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1mx7 s THR 107 N -2.57 -0.29 -0.16 -0.99 2.01 -1.07 -3.12 115.64 109.45 1mx7 s THR 107 Ca 0.11 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1mx7 s THR 107 Cb -0.01 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1mx7 s THR 107 CO 0.07 0.01 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.38 1mx7 s GLN 108 N 1.98 3.57 0.03 4.92 0.74 -0.30 -2.62 119.66 127.98 1mx7 s GLN 108 Ca -0.08 -0.57 0.02 0.00 0.05 0.00 0.00 55.36 54.78 1mx7 s GLN 108 Cb -0.08 -2.89 -0.02 0.00 1.10 0.00 0.00 33.01 31.13 1mx7 s GLN 108 CO -0.18 0.15 -0.07 -0.46 -0.55 0.00 0.00 175.29 174.17 1mx7 s TRP 109 N 0.59 0.65 -0.24 1.67 -0.11 -1.24 -1.99 118.94 118.27 1mx7 s TRP 109 Ca -0.04 -0.35 -0.03 0.00 1.22 0.00 0.00 56.10 56.91 1mx7 s TRP 109 Cb -0.15 -0.39 0.01 0.00 -1.50 0.00 0.00 33.47 31.44 1mx7 s TRP 109 CO 0.03 -0.05 -0.05 0.42 -4.62 0.00 0.00 176.95 172.68 1mx7 s ILE 110 N -0.92 3.08 0.95 5.86 1.01 -1.26 -1.36 121.20 128.56 1mx7 s ILE 110 Ca -0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 1mx7 s ILE 110 Cb -0.07 -2.51 0.21 0.00 0.01 0.00 0.00 42.46 40.10 1mx7 s ILE 110 CO 0.00 0.27 1.30 -1.61 0.00 0.00 0.00 174.94 174.91 1mx7 s GLU 111 N 1.39 0.60 -0.69 2.79 0.41 0.19 -4.85 118.70 118.54 1mx7 s GLU 111 Ca 0.02 -0.59 -0.28 0.00 -0.41 0.00 0.00 54.97 53.72 1mx7 s GLU 111 Cb -0.16 -1.90 -0.13 0.00 -1.78 0.00 0.00 34.13 30.16 1mx7 s GLU 111 CO -0.04 -2.39 2.52 0.41 -0.49 0.00 0.00 175.26 175.26 1mx7 n GLY 112 N -3.70 -0.08 2.52 -1.39 0.00 -1.26 -1.31 105.19 99.98 1mx7 n GLY 112 Ca 0.16 0.81 -0.15 0.00 0.00 0.00 0.00 46.02 46.84 1mx7 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mx7 n ASP 113 N 13.94 -4.45 -3.45 1.61 9.92 -1.26 -4.93 116.55 127.93 1mx7 n ASP 113 Ca 0.48 0.08 -0.16 0.00 -0.53 0.00 0.00 54.79 54.67 1mx7 n ASP 113 Cb 0.35 -3.74 -0.12 0.00 -0.64 0.00 0.00 41.12 36.98 1mx7 n ASP 113 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1mx7 s GLU 114 N -5.14 0.23 0.08 -1.24 2.02 -0.43 -3.62 118.70 110.61 1mx7 s GLU 114 Ca 0.04 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 1mx7 s GLU 114 Cb -0.02 -1.02 -0.06 0.00 0.10 0.00 0.00 34.13 33.13 1mx7 s GLU 114 CO 0.05 -0.65 1.16 -1.17 0.02 0.00 0.00 175.26 174.67 1mx7 s LEU 115 N 2.38 4.39 -0.43 1.80 1.98 -1.24 0.56 118.68 128.12 1mx7 s LEU 115 Ca 0.08 2.00 0.02 0.00 -2.89 0.00 0.00 54.13 53.35 1mx7 s LEU 115 Cb -0.16 -3.58 0.13 0.00 0.66 0.00 0.00 46.19 43.24 1mx7 s LEU 115 CO -0.13 -0.40 0.22 -2.28 -1.89 0.00 0.00 176.35 171.87 1mx7 s HIS 116 N 0.79 2.16 0.02 5.38 2.46 -0.46 -1.49 115.29 124.14 1mx7 s HIS 116 Ca 0.56 -2.47 -0.10 0.00 0.47 0.00 0.00 55.06 53.51 1mx7 s HIS 116 Cb -0.29 -2.02 -0.05 0.00 -0.13 0.00 0.00 32.58 30.09 1mx7 s HIS 116 CO 0.30 -0.79 0.35 -1.17 -2.47 0.00 0.00 174.74 170.96 1mx7 s LEU 117 N 0.41 4.40 -0.04 8.88 0.20 -1.25 -3.59 118.68 127.69 1mx7 s LEU 117 Ca 0.17 0.77 0.03 0.00 0.69 0.00 0.00 54.13 55.78 1mx7 s LEU 117 Cb -0.24 -2.69 0.00 0.00 -0.43 0.00 0.00 46.19 42.83 1mx7 s LEU 117 CO -0.02 0.26 -0.13 -1.83 -0.29 0.00 0.00 176.35 174.34 1mx7 s GLU 118 N -1.51 1.52 0.30 1.98 1.03 -1.08 -2.97 118.70 117.97 1mx7 s GLU 118 Ca 0.27 -0.47 0.09 0.00 0.03 0.00 0.00 54.97 54.89 1mx7 s GLU 118 Cb -0.14 -1.32 -0.04 0.00 -0.80 0.00 0.00 34.13 31.82 1mx7 s GLU 118 CO 0.15 0.14 0.05 -1.64 -1.33 0.00 0.00 175.26 172.63 1mx7 s MET 119 N 0.26 2.32 -0.08 -4.83 -1.94 0.17 -2.59 119.30 112.62 1mx7 s MET 119 Ca -0.07 -1.48 -0.28 0.00 -1.71 0.00 0.00 55.69 52.16 1mx7 s MET 119 Cb -0.12 -2.16 0.06 0.00 2.01 0.00 0.00 34.83 34.63 1mx7 s MET 119 CO 0.02 0.27 0.64 1.03 -0.01 0.00 0.00 175.02 176.97 1mx7 s ARG 120 N -3.74 0.98 -0.30 2.03 0.52 -1.24 -1.70 118.95 115.50 1mx7 s ARG 120 Ca 0.34 0.31 -0.16 0.00 -0.52 0.00 0.00 55.73 55.70 1mx7 s ARG 120 Cb -0.05 0.46 0.17 0.00 0.52 0.00 0.00 34.95 36.05 1mx7 s ARG 120 CO 0.21 -0.28 1.03 0.00 0.02 0.00 0.00 175.30 176.28 1mx7 s ALA 121 N -0.97 -2.69 -1.61 2.13 0.00 -1.02 -3.39 121.76 114.20 1mx7 s ALA 121 Ca -0.10 2.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 1mx7 s ALA 121 Cb -0.01 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1mx7 s ALA 121 CO 0.08 -0.81 0.18 -1.91 0.00 0.00 0.00 175.76 173.29 1mx7 n GLU 122 N 4.61 -2.52 0.00 0.00 2.13 -1.26 -2.70 120.64 120.91 1mx7 n GLU 122 Ca -0.11 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1mx7 n GLU 122 Cb 0.54 -5.56 0.00 0.00 0.27 0.00 0.00 31.44 26.69 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 -1.16 2.00 3.93 8.31 0.00 -1.26 -5.02 105.19 111.98 1mx7 n GLY 123 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1mx7 n GLY 123 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1mx7 n VAL 124 N -2.00 0.00 -3.72 1.61 0.24 -1.10 -5.13 118.33 108.23 1mx7 n VAL 124 Ca 0.00 -1.70 -0.12 0.00 -2.04 0.00 0.00 64.34 60.48 1mx7 n VAL 124 Cb 0.00 -0.77 -0.11 0.00 -1.47 0.00 0.00 33.84 31.48 1mx7 n VAL 124 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1mx7 s THR 125 N -2.97 -0.02 0.01 3.34 2.01 -1.26 -2.45 115.64 114.31 1mx7 s THR 125 Ca 0.65 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.79 1mx7 s THR 125 Cb -0.04 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 1mx7 s THR 125 CO 0.43 0.03 -0.22 0.00 -0.69 0.00 0.00 174.62 174.16 1mx7 s LYS 127 N -0.86 0.23 -0.22 0.00 -2.85 -1.16 0.44 119.74 115.32 1mx7 s LYS 127 Ca 0.09 -0.30 -0.01 0.00 -1.00 0.00 0.00 55.97 54.74 1mx7 s LYS 127 Cb -0.09 0.09 0.06 0.00 -2.06 0.00 0.00 37.83 35.83 1mx7 s LYS 127 CO 0.01 -0.04 0.01 1.14 0.10 0.00 0.00 175.35 176.56 1mx7 s GLN 128 N -0.84 1.01 -0.06 1.78 -2.07 -1.16 -2.30 119.66 116.02 1mx7 s GLN 128 Ca -0.09 -0.69 -0.30 0.00 -1.82 0.00 0.00 55.36 52.46 1mx7 s GLN 128 Cb -0.06 -2.28 -0.04 0.00 -1.09 0.00 0.00 33.01 29.54 1mx7 s GLN 128 CO -0.00 -0.65 1.36 0.08 -1.32 0.00 0.00 175.29 174.76 1mx7 s VAL 129 N 1.67 3.95 0.28 3.63 1.01 -1.24 -3.81 120.40 125.89 1mx7 s VAL 129 Ca -0.02 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.28 1mx7 s VAL 129 Cb -0.18 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1mx7 s VAL 129 CO -0.09 -0.05 0.31 -0.36 0.00 0.00 0.00 175.10 174.92 1mx7 s PHE 130 N 2.89 3.16 -0.26 5.22 0.40 -0.56 -0.11 117.98 128.73 1mx7 s PHE 130 Ca 0.61 -0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.77 1mx7 s PHE 130 Cb -0.28 -1.63 0.09 0.00 0.51 0.00 0.00 43.02 41.71 1mx7 s PHE 130 CO 0.23 0.33 0.11 0.21 0.70 0.00 0.00 175.22 176.80 1mx7 s LYS 131 N -3.97 0.34 0.07 0.44 2.36 0.01 -3.71 119.74 115.27 1mx7 s LYS 131 Ca 0.37 -0.57 -0.31 0.00 -2.55 0.00 0.00 55.97 52.92 1mx7 s LYS 131 Cb -0.08 -1.55 -0.07 0.00 -1.05 0.00 0.00 37.83 35.08 1mx7 s LYS 131 CO 0.27 -0.91 1.37 0.15 1.55 0.00 0.00 175.35 177.78 1mx7 s LYS 132 N 1.97 4.32 -0.05 4.03 1.02 -1.24 -3.53 119.74 126.26 1mx7 s LYS 132 Ca 0.07 2.00 0.20 0.00 0.02 0.00 0.00 55.97 58.26 1mx7 s LYS 132 Cb -0.16 -3.38 -0.30 0.00 -0.52 0.00 0.00 37.83 33.46 1mx7 s LYS 132 CO -0.27 -0.47 0.38 0.28 -0.92 0.00 0.00 175.35 174.36 1mx7 n VAL 133 N 4.21 0.21 -0.38 3.17 0.31 -1.26 -4.93 118.33 119.66 1mx7 n VAL 133 Ca 0.12 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1mx7 n VAL 133 Cb 0.43 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1mx7 n VAL 133 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08