#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm0 n ALA 2 N 0.00 0.00 -3.92 3.04 0.00 -1.26 -4.82 120.51 113.55 1xm0 n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1xm0 n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1xm0 n ALA 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xm0 s TYR 3 N 0.00 3.15 -0.11 0.00 1.13 -1.26 -3.31 117.35 116.95 1xm0 s TYR 3 Ca 0.00 -3.15 0.03 0.00 -1.41 0.00 0.00 57.07 52.54 1xm0 s TYR 3 Cb 0.00 -2.71 -0.00 0.00 -1.10 0.00 0.00 41.96 38.15 1xm0 s TYR 3 CO 0.00 -0.70 -0.22 -0.80 -2.51 0.00 0.00 175.55 171.32 1xm0 s ASN 4 N -0.49 3.25 0.24 -0.18 0.01 -1.26 -5.00 114.94 111.50 1xm0 s ASN 4 Ca 0.19 -0.53 0.10 0.00 -0.71 0.00 0.00 52.86 51.91 1xm0 s ASN 4 Cb -0.21 -1.45 0.22 0.00 0.41 0.00 0.00 41.25 40.22 1xm0 s ASN 4 CO -0.04 0.14 1.52 0.11 -1.51 0.00 0.00 177.10 177.33 1xm0 h LYS 5 N 6.84 0.00 -0.10 -0.60 1.57 -1.97 -1.68 116.57 120.62 1xm0 h LYS 5 Ca -0.23 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 1xm0 h LYS 5 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1xm0 h LYS 5 CO 0.50 0.70 -0.49 1.49 -0.57 0.00 0.00 179.45 181.08 1xm0 h GLU 6 N 0.00 0.26 -0.98 3.15 4.22 -1.94 -2.69 114.58 116.59 1xm0 h GLU 6 Ca -0.01 -0.15 0.03 0.00 0.08 0.00 0.00 59.36 59.31 1xm0 h GLU 6 Cb 1.28 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1xm0 h GLU 6 CO 0.09 0.70 0.65 0.93 -2.18 0.00 0.00 179.01 179.20 1xm0 h GLU 7 N 0.21 1.24 -0.63 1.92 5.08 -1.57 -0.90 114.58 119.93 1xm0 h GLU 7 Ca 0.01 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1xm0 h GLU 7 Cb 0.95 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1xm0 h GLU 7 CO 0.08 0.82 0.10 1.57 -1.00 0.00 0.00 179.01 180.58 1xm0 h LYS 8 N 1.28 1.04 0.00 2.33 2.10 -0.02 3.29 116.57 126.59 1xm0 h LYS 8 Ca 0.38 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1xm0 h LYS 8 Cb -0.06 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.14 1xm0 h LYS 8 CO -0.11 0.96 0.00 -0.89 -2.00 0.00 0.00 179.45 177.41 1xm0 n ILE 9 N -4.22 0.90 -2.72 0.07 -0.00 -0.68 -1.02 119.36 111.69 1xm0 n ILE 9 Ca 0.04 0.32 -0.01 0.00 -0.00 0.00 0.00 62.75 63.10 1xm0 n ILE 9 Cb 0.29 -1.26 0.05 0.00 -0.00 0.00 0.00 39.64 38.72 1xm0 n ILE 9 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1xm0 n LYS 10 N -2.17 1.70 0.00 0.38 4.76 0.14 -4.88 118.16 118.09 1xm0 n LYS 10 Ca 0.02 -3.40 0.00 0.00 -2.87 0.00 0.00 58.31 52.05 1xm0 n LYS 10 Cb 0.19 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1xm0 n LYS 10 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1xm0 n SER 11 N -0.50 0.00 0.00 4.39 7.64 1.07 -4.86 113.62 121.37 1xm0 n SER 11 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1xm0 n SER 11 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1xm0 n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xm0 n LEU 12 N 0.00 0.00 -4.76 -3.43 -0.00 -0.19 -3.68 117.00 104.94 1xm0 n LEU 12 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1xm0 n LEU 12 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1xm0 n LEU 12 CO 0.00 0.00 -0.27 0.54 -0.00 0.00 0.00 177.39 177.66 1xm0 s ASN 13 N 0.00 5.42 0.47 1.45 2.20 -1.26 -0.17 114.94 123.05 1xm0 s ASN 13 Ca 0.00 -0.08 0.19 0.00 -0.94 0.00 0.00 52.86 52.03 1xm0 s ASN 13 Cb 0.00 -1.41 1.19 0.00 -2.00 0.00 0.00 41.25 39.02 1xm0 s ASN 13 CO 0.00 0.15 1.96 -0.09 -2.94 0.00 0.00 177.10 176.18 1xm0 h ARG 14 N 3.09 0.24 -0.51 3.55 1.12 -1.81 0.39 114.38 120.45 1xm0 h ARG 14 Ca -0.47 -0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.28 1xm0 h ARG 14 Cb 1.17 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 31.06 1xm0 h ARG 14 CO 0.64 0.16 -0.07 1.98 -3.11 0.00 0.00 179.97 179.57 1xm0 h MET 15 N 0.25 0.95 -0.75 0.20 4.05 -1.94 -2.87 114.93 114.82 1xm0 h MET 15 Ca 0.30 -0.34 0.14 0.00 -0.28 0.00 0.00 59.70 59.52 1xm0 h MET 15 Cb 0.84 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.53 1xm0 h MET 15 CO -0.06 1.00 0.50 0.37 0.23 0.00 0.00 176.91 178.95 1xm0 h GLN 16 N 0.81 0.42 -0.69 0.39 5.75 -0.62 -0.91 115.11 120.27 1xm0 h GLN 16 Ca 0.14 -0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.76 1xm0 h GLN 16 Cb 0.62 -0.10 -0.13 0.00 1.07 0.00 0.00 27.48 28.95 1xm0 h GLN 16 CO 0.04 0.28 -0.10 -0.92 -2.65 0.00 0.00 178.83 175.48 1xm0 h TYR 17 N 0.44 -0.24 -0.10 3.99 3.20 -1.21 0.35 116.97 123.39 1xm0 h TYR 17 Ca 0.37 0.06 -0.13 0.00 3.14 0.00 0.00 58.73 62.17 1xm0 h TYR 17 Cb 0.81 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1xm0 h TYR 17 CO -0.00 -0.27 -0.50 1.05 -1.64 0.00 0.00 178.16 176.80 1xm0 h GLU 18 N 0.04 0.26 -0.49 1.82 4.11 -1.33 -3.07 114.58 115.91 1xm0 h GLU 18 Ca 0.35 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.62 1xm0 h GLU 18 Cb 0.56 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1xm0 h GLU 18 CO -0.67 0.70 0.23 -0.39 0.07 0.00 0.00 179.01 178.95 1xm0 h VAL 19 N 0.20 1.17 -0.89 -1.06 -1.51 -0.03 1.47 116.25 115.60 1xm0 h VAL 19 Ca 0.01 -0.47 0.02 0.00 -1.23 0.00 0.00 66.70 65.02 1xm0 h VAL 19 Cb 0.96 0.54 -0.05 0.00 -2.13 0.00 0.00 31.29 30.61 1xm0 h VAL 19 CO 0.08 0.20 0.59 0.71 -1.23 0.00 0.00 177.57 177.92 1xm0 h THR 20 N 0.69 1.21 -0.45 7.19 1.35 -1.09 -1.80 112.91 120.02 1xm0 h THR 20 Ca 0.17 -0.41 -0.33 0.00 -0.55 0.00 0.00 66.41 65.29 1xm0 h THR 20 Cb 0.08 -0.08 -0.29 0.00 -1.73 0.00 0.00 68.15 66.13 1xm0 h THR 20 CO -0.02 0.22 -0.75 0.00 -0.25 0.00 0.00 175.52 174.71 1xm0 n GLN 21 N -4.41 2.64 0.00 4.72 6.02 -0.02 -4.91 117.38 121.43 1xm0 n GLN 21 Ca 0.11 -3.74 0.00 0.00 -0.01 0.00 0.00 57.00 53.36 1xm0 n GLN 21 Cb 0.04 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.39 1xm0 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1xm0 n ASN 22 N -0.78 0.00 0.00 1.08 5.15 0.48 -4.98 115.26 116.22 1xm0 n ASN 22 Ca 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1xm0 n ASN 22 Cb 0.87 0.10 0.00 0.00 -0.53 0.00 0.00 39.78 40.22 1xm0 n ASN 22 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xm0 n ASN 23 N -1.23 0.00 0.00 1.20 3.02 -1.18 -4.94 115.26 112.12 1xm0 n ASN 23 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1xm0 n ASN 23 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1xm0 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xm0 n GLY 24 N 0.33 0.02 3.48 7.41 0.00 -0.68 -5.00 105.19 110.74 1xm0 n GLY 24 Ca 0.00 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1xm0 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xm0 s THR 25 N -3.75 4.81 -0.33 2.61 -4.23 -1.26 -4.60 115.64 108.89 1xm0 s THR 25 Ca 0.00 -0.24 -0.28 0.00 -1.18 0.00 0.00 61.69 59.99 1xm0 s THR 25 Cb 0.00 -4.29 -0.02 0.00 1.34 0.00 0.00 72.50 69.53 1xm0 s THR 25 CO 0.00 -0.78 1.76 -0.70 -0.54 0.00 0.00 174.62 174.37 1xm0 s GLU 26 N 2.82 3.38 0.69 3.99 -6.30 -1.26 -4.99 118.70 117.03 1xm0 s GLU 26 Ca 0.19 1.41 -0.02 0.00 -2.50 0.00 0.00 54.97 54.05 1xm0 s GLU 26 Cb -0.17 -4.18 0.10 0.00 0.00 0.00 0.00 34.13 29.88 1xm0 s GLU 26 CO 0.15 -1.80 0.96 -1.25 0.02 0.00 0.00 175.26 173.33 1xm0 s PRO 27 N 5.55 1.91 0.00 4.30 0.04 -1.26 -4.70 135.00 140.84 1xm0 s PRO 27 Ca 0.78 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1xm0 s PRO 27 Cb -0.22 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1xm0 s PRO 27 CO 0.34 -1.29 0.00 -0.35 0.04 0.00 0.00 177.00 175.74 1xm0 n PRO 28 N -2.77 2.60 -3.80 0.56 -0.04 -1.26 -4.87 135.00 125.41 1xm0 n PRO 28 Ca 0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 1xm0 n PRO 28 Cb 0.60 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.91 1xm0 n PRO 28 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xm0 s PHE 29 N 1.54 2.22 -1.60 0.54 -0.71 -1.26 -4.86 117.98 113.86 1xm0 s PHE 29 Ca 0.00 -2.11 -0.17 0.00 -1.04 0.00 0.00 56.93 53.61 1xm0 s PHE 29 Cb 0.00 -2.02 0.15 0.00 -1.21 0.00 0.00 43.02 39.93 1xm0 s PHE 29 CO 0.00 -0.88 0.72 1.04 -1.34 0.00 0.00 175.22 174.75 1xm0 n GLN 30 N 4.56 -3.12 -2.65 1.99 1.13 -1.26 -4.81 117.38 113.22 1xm0 n GLN 30 Ca 0.01 0.37 -0.04 0.00 -1.94 0.00 0.00 57.00 55.40 1xm0 n GLN 30 Cb 0.41 -5.10 0.06 0.00 0.11 0.00 0.00 30.24 25.73 1xm0 n GLN 30 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xm0 n ASN 31 N -2.55 -1.08 0.22 1.08 3.02 -1.26 -5.00 115.26 109.69 1xm0 n ASN 31 Ca 0.07 -1.15 0.11 0.00 -0.03 0.00 0.00 54.58 53.57 1xm0 n ASN 31 Cb 0.50 0.55 0.38 0.00 -0.61 0.00 0.00 39.78 40.60 1xm0 n ASN 31 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1xm0 h GLU 32 N 3.46 0.00 -0.06 3.52 4.11 -1.94 -2.66 114.58 121.01 1xm0 h GLU 32 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1xm0 h GLU 32 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1xm0 h GLU 32 CO -0.21 0.18 0.00 0.66 0.07 0.00 0.00 179.01 179.71 1xm0 n TYR 33 N -3.25 0.05 0.00 2.06 4.01 -1.26 0.22 117.16 118.98 1xm0 n TYR 33 Ca 0.01 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1xm0 n TYR 33 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1xm0 n TYR 33 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1xm0 n TRP 34 N 1.26 0.00 0.00 -0.72 -0.00 -1.00 -3.28 117.44 113.69 1xm0 n TRP 34 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.65 1xm0 n TRP 34 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.89 1xm0 n TRP 34 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1xm0 n ASP 35 N 4.62 3.73 0.00 5.87 8.00 -1.26 -4.83 116.55 132.68 1xm0 n ASP 35 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xm0 n ASP 35 Cb 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1xm0 n ASP 35 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1xm0 n HIS 36 N -2.35 0.00 -2.31 1.24 -0.00 -1.21 -5.04 115.22 105.55 1xm0 n HIS 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1xm0 n HIS 36 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 1xm0 n HIS 36 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1xm0 n LYS 37 N -2.73 3.70 -1.07 1.57 5.02 -1.26 -4.87 118.16 118.52 1xm0 n LYS 37 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1xm0 n LYS 37 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1xm0 n LYS 37 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1xm0 n GLU 38 N 0.00 -1.90 -4.07 1.97 4.07 -1.26 -4.73 120.64 114.72 1xm0 n GLU 38 Ca 0.00 1.46 -0.12 0.00 -0.06 0.00 0.00 57.16 58.44 1xm0 n GLU 38 Cb 0.00 -2.46 -0.11 0.00 -0.06 0.00 0.00 31.44 28.81 1xm0 n GLU 38 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1xm0 s GLU 39 N -3.53 0.56 0.00 5.31 2.02 -1.26 -3.59 118.70 118.21 1xm0 s GLU 39 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1xm0 s GLU 39 Cb 0.00 -0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1xm0 s GLU 39 CO 0.00 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1xm0 n GLY 40 N 1.11 0.43 3.33 -1.39 0.00 -1.26 -2.62 105.19 104.79 1xm0 n GLY 40 Ca -0.20 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 1xm0 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xm0 s LEU 41 N 0.00 2.26 -0.06 0.99 2.96 -0.97 0.92 118.68 124.78 1xm0 s LEU 41 Ca 0.00 -0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 53.23 1xm0 s LEU 41 Cb 0.00 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 1xm0 s LEU 41 CO 0.00 0.16 0.00 -0.31 -1.32 0.00 0.00 176.35 174.88 1xm0 s TYR 42 N -1.00 3.13 0.13 5.38 2.02 0.57 -0.49 117.35 127.08 1xm0 s TYR 42 Ca 0.11 0.16 0.10 0.00 -0.37 0.00 0.00 57.07 57.06 1xm0 s TYR 42 Cb -0.10 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1xm0 s TYR 42 CO 0.04 0.46 -0.22 0.14 -1.57 0.00 0.00 175.55 174.40 1xm0 s VAL 43 N -0.94 2.56 -0.37 0.71 -7.23 1.03 -2.27 120.40 113.90 1xm0 s VAL 43 Ca 0.15 -1.65 -0.21 0.00 -1.81 0.00 0.00 61.98 58.46 1xm0 s VAL 43 Cb -0.11 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1xm0 s VAL 43 CO 0.04 0.08 0.67 -0.62 -0.31 0.00 0.00 175.10 174.97 1xm0 s ASP 44 N -2.15 6.44 0.00 4.85 -1.08 0.40 -1.66 116.67 123.47 1xm0 s ASP 44 Ca 0.16 0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 1xm0 s ASP 44 Cb -0.10 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1xm0 s ASP 44 CO 0.08 -0.65 0.00 2.30 0.52 0.00 0.00 175.17 177.42 1xm0 n ILE 45 N 5.67 0.00 -1.72 4.11 -5.35 -0.96 -4.35 119.36 116.76 1xm0 n ILE 45 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1xm0 n ILE 45 Cb 0.48 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 1xm0 n ILE 45 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1xm0 n VAL 46 N 0.00 0.00 0.00 7.28 0.31 -1.26 -4.59 118.33 120.07 1xm0 n VAL 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xm0 n VAL 46 Cb 0.00 0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1xm0 n VAL 46 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xm0 n SER 47 N 0.00 0.00 -0.08 4.52 7.64 -1.26 -2.77 113.62 121.66 1xm0 n SER 47 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1xm0 n SER 47 Cb 0.58 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.63 1xm0 n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xm0 n GLY 48 N 0.00 -0.81 3.62 0.23 0.00 -1.26 -4.88 105.19 102.09 1xm0 n GLY 48 Ca 0.00 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1xm0 n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xm0 s LYS 49 N -2.53 3.74 0.00 1.61 2.36 -1.12 -4.69 119.74 119.12 1xm0 s LYS 49 Ca -0.16 1.31 0.00 0.00 -2.55 0.00 0.00 55.97 54.57 1xm0 s LYS 49 Cb 0.07 -3.99 0.00 0.00 -1.05 0.00 0.00 37.83 32.86 1xm0 s LYS 49 CO 0.77 -1.35 0.00 -0.35 1.55 0.00 0.00 175.35 175.97 1xm0 n PRO 50 N 7.71 2.75 0.00 4.03 -0.04 -1.26 0.15 135.00 148.35 1xm0 n PRO 50 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1xm0 n PRO 50 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 1xm0 n PRO 50 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xm0 n LEU 51 N 0.00 0.00 -3.61 1.53 7.94 -0.96 -2.61 117.00 119.29 1xm0 n LEU 51 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1xm0 n LEU 51 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1xm0 n LEU 51 CO 0.00 0.00 0.23 -0.36 -1.11 0.00 0.00 177.39 176.15 1xm0 s PHE 52 N 0.00 -0.35 -0.16 1.96 0.40 -1.02 -4.67 117.98 114.15 1xm0 s PHE 52 Ca 0.00 0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.52 1xm0 s PHE 52 Cb 0.00 0.30 -0.05 0.00 0.51 0.00 0.00 43.02 43.78 1xm0 s PHE 52 CO 0.00 -0.63 0.28 -0.08 0.70 0.00 0.00 175.22 175.49 1xm0 s THR 53 N -2.64 5.31 0.64 0.64 -1.32 -1.26 0.21 115.64 117.22 1xm0 s THR 53 Ca -0.04 0.53 0.33 0.00 -1.21 0.00 0.00 61.69 61.29 1xm0 s THR 53 Cb -0.00 -3.62 0.35 0.00 -1.51 0.00 0.00 72.50 67.72 1xm0 s THR 53 CO -0.03 0.40 2.05 -1.28 -2.21 0.00 0.00 174.62 173.55 1xm0 h SER 54 N 6.59 0.00 -0.70 8.08 0.87 0.33 0.29 113.55 129.01 1xm0 h SER 54 Ca -0.42 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.29 1xm0 h SER 54 Cb 1.17 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.08 1xm0 h SER 54 CO 0.75 0.00 0.47 0.11 -0.53 0.00 0.00 176.83 177.63 1xm0 h LYS 55 N 0.00 0.32 0.00 2.24 1.57 -1.72 -3.39 116.57 115.60 1xm0 h LYS 55 Ca 0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xm0 h LYS 55 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1xm0 h LYS 55 CO -0.00 0.21 0.00 -3.47 -0.57 0.00 0.00 179.45 175.62 1xm0 n ASP 56 N -4.46 0.00 -0.48 0.86 2.03 0.64 -4.93 116.55 110.21 1xm0 n ASP 56 Ca 0.13 0.00 0.36 0.00 0.52 0.00 0.00 54.79 55.80 1xm0 n ASP 56 Cb 0.53 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 41.49 1xm0 n ASP 56 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1xm0 n LYS 57 N 0.00 -0.00 -3.54 -0.67 0.00 0.70 -4.36 118.16 110.30 1xm0 n LYS 57 Ca 0.00 0.73 -0.20 0.00 -0.00 0.00 0.00 58.31 58.83 1xm0 n LYS 57 Cb 0.00 -1.68 -0.03 0.00 -0.00 0.00 0.00 35.03 33.32 1xm0 n LYS 57 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1xm0 s PHE 58 N -4.24 2.74 -0.01 5.58 -0.12 -1.26 -2.42 117.98 118.24 1xm0 s PHE 58 Ca -0.03 -0.47 -0.28 0.00 -0.05 0.00 0.00 56.93 56.10 1xm0 s PHE 58 Cb 0.18 -2.16 0.09 0.00 -0.63 0.00 0.00 43.02 40.51 1xm0 s PHE 58 CO 0.60 -0.12 0.81 0.34 -0.05 0.00 0.00 175.22 176.79 1xm0 s ASP 59 N -4.14 -0.47 0.00 1.98 2.15 -1.26 -5.00 116.67 109.93 1xm0 s ASP 59 Ca 0.48 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.71 1xm0 s ASP 59 Cb -0.04 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1xm0 s ASP 59 CO 0.28 -0.63 0.00 -1.20 -0.17 0.00 0.00 175.17 173.45 1xm0 n SER 60 N 0.20 0.00 -1.22 -0.34 7.64 -1.26 -4.91 113.62 113.73 1xm0 n SER 60 Ca -0.13 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.90 1xm0 n SER 60 Cb 0.61 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.74 1xm0 n SER 60 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1xm0 n GLN 61 N 0.00 -2.68 0.00 1.43 7.27 -1.26 -5.06 117.38 117.08 1xm0 n GLN 61 Ca 0.00 2.05 0.00 0.00 0.07 0.00 0.00 57.00 59.12 1xm0 n GLN 61 Cb 0.00 -3.18 0.00 0.00 2.41 0.00 0.00 30.24 29.47 1xm0 n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xm0 n GLY 63 N -0.26 0.00 3.54 0.00 0.00 -1.26 -5.00 105.19 102.21 1xm0 n GLY 63 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xm0 n GLY 63 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1xm0 s TRP 64 N -1.98 3.18 -0.18 1.61 -2.14 -1.26 -5.06 118.94 113.11 1xm0 s TRP 64 Ca 0.00 -0.10 -0.29 0.00 2.66 0.00 0.00 56.10 58.37 1xm0 s TRP 64 Cb 0.00 -2.35 -0.02 0.00 -3.10 0.00 0.00 33.47 28.01 1xm0 s TRP 64 CO 0.00 -0.25 1.34 -1.25 -2.66 0.00 0.00 176.95 174.13 1xm0 s PRO 65 N 1.71 4.14 -0.13 3.25 0.04 -1.26 -4.98 135.00 137.76 1xm0 s PRO 65 Ca 0.07 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 1xm0 s PRO 65 Cb -0.16 -3.83 0.04 0.00 0.04 0.00 0.00 34.50 30.59 1xm0 s PRO 65 CO 0.09 -0.84 0.33 -1.12 0.04 0.00 0.00 177.00 175.50 1xm0 s SER 66 N 2.45 -0.37 -0.00 6.66 0.01 -1.26 -4.56 113.70 116.62 1xm0 s SER 66 Ca 0.58 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.54 1xm0 s SER 66 Cb -0.22 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1xm0 s SER 66 CO 0.19 -0.15 -0.01 -0.36 0.41 0.00 0.00 173.24 173.32 1xm0 s PHE 67 N 0.77 0.10 0.00 2.43 0.08 0.38 -4.65 117.98 117.10 1xm0 s PHE 67 Ca -0.05 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.00 1xm0 s PHE 67 Cb -0.06 -0.09 0.00 0.00 -0.57 0.00 0.00 43.02 42.30 1xm0 s PHE 67 CO -0.05 -0.01 0.00 0.25 -0.10 0.00 0.00 175.22 175.30 1xm0 n THR 68 N 3.19 0.00 -1.39 0.64 -2.24 -1.01 -1.88 114.28 111.58 1xm0 n THR 68 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1xm0 n THR 68 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1xm0 n THR 68 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xm0 n LYS 69 N 0.00 0.00 -0.31 -0.78 4.81 -1.05 -4.30 118.16 116.52 1xm0 n LYS 69 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1xm0 n LYS 69 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 1xm0 n LYS 69 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xm0 n PRO 70 N 0.00 1.40 0.00 1.64 -0.04 -1.26 -0.67 135.00 136.06 1xm0 n PRO 70 Ca 0.00 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 1xm0 n PRO 70 Cb 0.00 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1xm0 n PRO 70 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xm0 n ILE 71 N 0.08 0.00 -0.20 0.52 5.41 -1.26 -4.88 119.36 119.03 1xm0 n ILE 71 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.90 1xm0 n ILE 71 Cb 0.78 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.71 1xm0 n ILE 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xm0 n GLU 72 N 0.00 0.00 0.00 0.38 2.13 -1.26 -4.77 120.64 117.12 1xm0 n GLU 72 Ca 0.00 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1xm0 n GLU 72 Cb 0.00 -0.13 0.00 0.00 0.27 0.00 0.00 31.44 31.58 1xm0 n GLU 72 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1xm0 n GLU 73 N 1.30 0.00 0.00 5.31 4.07 -1.26 -5.01 120.64 125.05 1xm0 n GLU 73 Ca 0.00 -0.13 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 1xm0 n GLU 73 Cb 0.00 -0.21 0.00 0.00 -0.06 0.00 0.00 31.44 31.17 1xm0 n GLU 73 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1xm0 n GLU 74 N 0.00 0.00 -3.82 5.31 1.02 -1.26 -5.09 120.64 116.80 1xm0 n GLU 74 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1xm0 n GLU 74 Cb 0.40 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.66 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xm0 s VAL 75 N 0.00 0.01 0.19 2.62 1.01 -1.26 -3.57 120.40 119.40 1xm0 s VAL 75 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1xm0 s VAL 75 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 1xm0 s VAL 75 CO 0.00 0.10 0.27 -1.61 0.00 0.00 0.00 175.10 173.87 1xm0 s GLU 76 N 1.03 3.31 0.04 2.72 2.02 0.10 -4.86 118.70 123.06 1xm0 s GLU 76 Ca -0.09 -0.73 -0.08 0.00 0.02 0.00 0.00 54.97 54.10 1xm0 s GLU 76 Cb -0.13 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 1xm0 s GLU 76 CO -0.03 0.48 0.32 -1.83 0.02 0.00 0.00 175.26 174.23 1xm0 s GLU 77 N -3.47 3.65 0.14 1.61 -1.05 -1.23 -1.14 118.70 117.21 1xm0 s GLU 77 Ca 0.34 0.02 0.06 0.00 -0.15 0.00 0.00 54.97 55.23 1xm0 s GLU 77 Cb -0.10 -3.04 -0.04 0.00 -0.44 0.00 0.00 34.13 30.51 1xm0 s GLU 77 CO 0.27 0.61 -0.13 0.21 0.95 0.00 0.00 175.26 177.17 1xm0 s LYS 78 N -1.86 1.07 -0.24 -4.83 2.47 0.47 -4.81 119.74 112.02 1xm0 s LYS 78 Ca 0.30 -1.35 -0.18 0.00 -1.56 0.00 0.00 55.97 53.19 1xm0 s LYS 78 Cb -0.13 -0.85 -0.03 0.00 -1.46 0.00 0.00 37.83 35.36 1xm0 s LYS 78 CO 0.17 0.15 0.51 -1.17 0.16 0.00 0.00 175.35 175.17 1xm0 s LEU 79 N -2.77 4.09 0.24 5.43 2.96 -1.26 -0.85 118.68 126.52 1xm0 s LEU 79 Ca 0.13 0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 54.46 1xm0 s LEU 79 Cb -0.02 -2.67 -0.08 0.00 0.50 0.00 0.00 46.19 43.92 1xm0 s LEU 79 CO 0.03 -0.24 0.66 -0.62 -1.32 0.00 0.00 176.35 174.86 1xm0 s ASP 80 N 1.39 6.83 0.00 3.68 -1.08 -1.26 -4.99 116.67 121.24 1xm0 s ASP 80 Ca 0.22 1.21 0.00 0.00 -0.52 0.00 0.00 52.55 53.46 1xm0 s ASP 80 Cb -0.15 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1xm0 s ASP 80 CO 0.09 -0.05 0.00 0.35 0.52 0.00 0.00 175.17 176.08 1xm0 n THR 81 N 0.21 0.00 0.00 1.71 -2.24 -1.26 -4.92 114.28 107.78 1xm0 n THR 81 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xm0 n THR 81 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1xm0 n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xm0 n SER 82 N 0.00 0.00 0.00 3.42 7.64 -1.26 -4.88 113.62 118.54 1xm0 n SER 82 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xm0 n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xm0 n SER 82 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xm0 n HIS 83 N 0.00 0.00 0.00 1.43 8.25 -1.26 -4.22 115.22 119.42 1xm0 n HIS 83 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xm0 n HIS 83 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1xm0 n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xm0 n GLY 84 N 0.00 0.52 3.60 -1.41 0.00 -1.26 -5.12 105.19 101.51 1xm0 n GLY 84 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xm0 n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xm0 s MET 85 N 0.00 2.96 -0.19 1.61 1.00 -1.26 -5.11 119.30 118.32 1xm0 s MET 85 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 55.69 55.19 1xm0 s MET 85 Cb 0.00 -2.70 0.01 0.00 0.00 0.00 0.00 34.83 32.14 1xm0 s MET 85 CO 0.00 0.62 -0.17 -1.50 0.00 0.00 0.00 175.02 173.97 1xm0 s ILE 86 N -0.67 2.34 0.19 2.53 1.10 -1.26 -4.83 121.20 120.60 1xm0 s ILE 86 Ca 0.10 -0.85 -0.11 0.00 -0.51 0.00 0.00 60.65 59.29 1xm0 s ILE 86 Cb -0.12 -2.00 -0.00 0.00 0.15 0.00 0.00 42.46 40.49 1xm0 s ILE 86 CO 0.02 0.52 0.36 -0.13 -2.11 0.00 0.00 174.94 173.60 1xm0 s ARG 87 N 1.29 1.28 -0.30 3.50 0.52 -1.26 -5.13 118.95 118.85 1xm0 s ARG 87 Ca 0.04 -1.15 -0.12 0.00 -0.52 0.00 0.00 55.73 53.98 1xm0 s ARG 87 Cb -0.13 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 1xm0 s ARG 87 CO -0.10 -0.50 0.21 0.99 0.02 0.00 0.00 175.30 175.92 1xm0 s THR 88 N -3.97 5.26 0.10 0.02 2.01 -1.26 -4.07 115.64 113.73 1xm0 s THR 88 Ca 0.18 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.95 1xm0 s THR 88 Cb 0.02 -3.58 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 1xm0 s THR 88 CO 0.02 0.15 0.71 -1.61 -0.69 0.00 0.00 174.62 173.20 1xm0 s GLU 89 N 1.74 4.45 -0.21 4.92 2.02 -0.03 -0.26 118.70 131.33 1xm0 s GLU 89 Ca 0.07 1.01 -0.06 0.00 0.02 0.00 0.00 54.97 56.00 1xm0 s GLU 89 Cb -0.17 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1xm0 s GLU 89 CO 0.11 0.50 0.03 0.14 0.02 0.00 0.00 175.26 176.06 1xm0 s VAL 90 N -0.80 4.22 0.17 2.63 -7.23 -0.45 0.18 120.40 119.12 1xm0 s VAL 90 Ca 0.34 -0.22 0.06 0.00 -1.81 0.00 0.00 61.98 60.36 1xm0 s VAL 90 Cb -0.21 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1xm0 s VAL 90 CO 0.23 0.40 -0.13 0.00 -0.31 0.00 0.00 175.10 175.30 1xm0 s ARG 91 N 1.08 1.18 0.67 4.82 1.70 -0.29 0.15 118.95 128.26 1xm0 s ARG 91 Ca 0.03 -1.48 -0.09 0.00 -0.47 0.00 0.00 55.73 53.73 1xm0 s ARG 91 Cb -0.14 -0.91 0.02 0.00 -0.57 0.00 0.00 34.95 33.35 1xm0 s ARG 91 CO 0.02 0.14 1.01 0.45 -1.08 0.00 0.00 175.30 175.85 1xm0 s SER 92 N -3.11 5.35 -0.02 -2.89 0.15 -0.23 0.03 113.70 112.99 1xm0 s SER 92 Ca 0.18 0.85 -0.26 0.00 0.70 0.00 0.00 55.95 57.42 1xm0 s SER 92 Cb -0.00 -1.69 -0.20 0.00 -1.71 0.00 0.00 66.02 62.42 1xm0 s SER 92 CO 0.04 -1.30 1.25 0.08 1.20 0.00 0.00 173.24 174.50 1xm0 h ARG 93 N -0.48 0.03 -0.97 5.44 -0.00 -1.95 -3.08 114.38 113.36 1xm0 h ARG 93 Ca -0.45 -0.01 0.17 0.00 -0.00 0.00 0.00 59.98 59.69 1xm0 h ARG 93 Cb 1.27 0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 31.15 1xm0 h ARG 93 CO 0.62 0.53 0.61 1.79 -0.00 0.00 0.00 179.97 183.53 1xm0 h THR 94 N -0.48 0.76 -0.51 0.08 1.35 -1.95 -3.46 112.91 108.70 1xm0 h THR 94 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1xm0 h THR 94 Cb 0.53 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 1xm0 h THR 94 CO 0.00 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 175.41 1xm0 n ALA 95 N -2.38 0.00 -1.29 6.62 0.00 -1.16 -5.02 120.51 117.28 1xm0 n ALA 95 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 1xm0 n ALA 95 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1xm0 n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xm0 n ASP 96 N -0.04 7.57 0.00 0.00 8.00 -1.26 -1.06 116.55 129.75 1xm0 n ASP 96 Ca 0.00 -2.63 0.00 0.00 0.71 0.00 0.00 54.79 52.87 1xm0 n ASP 96 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 1xm0 n ASP 96 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xm0 n SER 97 N 2.96 0.00 -4.77 -2.24 2.88 -1.26 -4.72 113.62 106.47 1xm0 n SER 97 Ca 0.65 0.65 -0.39 0.00 -1.33 0.00 0.00 58.87 58.45 1xm0 n SER 97 Cb 0.45 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1xm0 n SER 97 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1xm0 s HIS 98 N -1.71 3.28 -0.01 0.66 3.76 -1.26 -4.81 115.29 115.20 1xm0 s HIS 98 Ca 0.00 1.60 0.06 0.00 -0.15 0.00 0.00 55.06 56.57 1xm0 s HIS 98 Cb 0.00 -3.35 -0.09 0.00 1.11 0.00 0.00 32.58 30.26 1xm0 s HIS 98 CO 0.00 -1.00 0.12 1.28 -0.85 0.00 0.00 174.74 174.30 1xm0 n LEU 99 N 0.53 0.01 0.00 0.89 7.99 0.40 -2.15 117.00 124.67 1xm0 n LEU 99 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1xm0 n LEU 99 Cb 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1xm0 n LEU 99 CO 0.52 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 1xm0 n GLY 100 N 2.16 0.00 2.82 -0.72 0.00 0.12 -1.70 105.19 107.88 1xm0 n GLY 100 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1xm0 n GLY 100 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xm0 s HIS 101 N 0.00 0.56 0.05 1.61 3.76 -1.08 -1.34 115.29 118.85 1xm0 s HIS 101 Ca 0.00 -0.11 0.06 0.00 -0.15 0.00 0.00 55.06 54.86 1xm0 s HIS 101 Cb 0.00 -0.62 -0.02 0.00 1.11 0.00 0.00 32.58 33.05 1xm0 s HIS 101 CO 0.00 -0.21 -0.16 0.54 -0.85 0.00 0.00 174.74 174.05 1xm0 s VAL 102 N 1.33 1.28 -0.18 -0.90 0.11 0.64 0.29 120.40 122.97 1xm0 s VAL 102 Ca -0.05 -1.14 0.01 0.00 -2.93 0.00 0.00 61.98 57.87 1xm0 s VAL 102 Cb -0.13 -1.16 0.02 0.00 -1.53 0.00 0.00 36.38 33.57 1xm0 s VAL 102 CO -0.02 0.01 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.21 1xm0 s PHE 103 N -0.93 2.79 -0.33 1.54 0.40 0.66 -4.20 117.98 117.91 1xm0 s PHE 103 Ca 0.03 -1.54 -0.19 0.00 -0.60 0.00 0.00 56.93 54.63 1xm0 s PHE 103 Cb -0.09 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1xm0 s PHE 103 CO 0.02 -0.76 0.58 1.21 0.70 0.00 0.00 175.22 176.97 1xm0 s ASN 104 N 1.26 6.40 0.00 1.36 2.47 -1.26 -2.49 114.94 122.68 1xm0 s ASN 104 Ca 0.04 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.50 1xm0 s ASN 104 Cb -0.13 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1xm0 s ASN 104 CO -0.11 -0.50 0.00 0.47 -3.72 0.00 0.00 177.10 173.24 1xm0 n ASP 105 N 5.86 0.00 0.00 -4.21 8.00 -1.26 -4.91 116.55 120.02 1xm0 n ASP 105 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1xm0 n ASP 105 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1xm0 n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xm0 n GLY 106 N 0.00 1.27 3.44 0.44 0.00 -1.26 -3.87 105.19 105.21 1xm0 n GLY 106 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1xm0 n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xm0 n PRO 107 N 3.90 0.19 -1.49 1.61 -0.04 -1.26 -4.51 135.00 133.41 1xm0 n PRO 107 Ca 0.00 -0.82 0.18 0.00 -0.04 0.00 0.00 63.50 62.82 1xm0 n PRO 107 Cb 0.00 -2.76 -0.10 0.00 -0.04 0.00 0.00 33.50 30.60 1xm0 n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xm0 n GLY 108 N 5.89 -3.37 3.65 0.55 0.00 -1.25 -4.73 105.19 105.93 1xm0 n GLY 108 Ca 0.39 -1.04 -0.45 0.00 0.00 0.00 0.00 46.02 44.92 1xm0 n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xm0 n PRO 109 N -4.41 1.84 0.00 1.61 -0.04 -1.26 -4.78 135.00 127.96 1xm0 n PRO 109 Ca -0.09 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1xm0 n PRO 109 Cb 0.71 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1xm0 n PRO 109 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xm0 n ASN 110 N 1.85 0.60 0.00 3.54 5.15 -1.26 -5.07 115.26 120.06 1xm0 n ASN 110 Ca 0.11 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 1xm0 n ASN 110 Cb 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 1xm0 n ASN 110 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xm0 n GLY 111 N -0.03 1.29 3.23 8.20 0.00 -1.26 -4.66 105.19 111.96 1xm0 n GLY 111 Ca 0.00 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1xm0 n GLY 111 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xm0 s LEU 112 N 0.00 2.51 -0.38 0.99 2.34 0.15 -4.52 118.68 119.77 1xm0 s LEU 112 Ca 0.00 -0.50 -0.09 0.00 0.06 0.00 0.00 54.13 53.60 1xm0 s LEU 112 Cb 0.00 -1.60 0.05 0.00 -0.56 0.00 0.00 46.19 44.08 1xm0 s LEU 112 CO 0.00 0.02 0.19 -0.60 -1.06 0.00 0.00 176.35 174.90 1xm0 s ARG 113 N 1.22 2.66 -0.07 1.48 6.06 -1.04 -2.54 118.95 126.72 1xm0 s ARG 113 Ca 0.02 -1.27 0.05 0.00 -2.50 0.00 0.00 55.73 52.03 1xm0 s ARG 113 Cb -0.14 -3.66 -0.02 0.00 0.06 0.00 0.00 34.95 31.20 1xm0 s ARG 113 CO -0.06 -0.79 -0.20 0.71 -2.50 0.00 0.00 175.30 172.46 1xm0 s TYR 114 N 1.45 2.56 -0.29 5.12 1.51 -0.79 0.24 117.35 127.15 1xm0 s TYR 114 Ca 0.01 -0.55 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 1xm0 s TYR 114 Cb -0.21 -1.64 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1xm0 s TYR 114 CO 0.04 -0.10 0.03 0.00 -1.11 0.00 0.00 175.55 174.41 1xm0 s ILE 116 N 1.39 2.71 0.29 0.00 1.10 -1.26 -2.62 121.20 122.81 1xm0 s ILE 116 Ca -0.00 -1.89 0.07 0.00 -0.51 0.00 0.00 60.65 58.32 1xm0 s ILE 116 Cb -0.18 -2.33 -0.03 0.00 0.15 0.00 0.00 42.46 40.08 1xm0 s ILE 116 CO -0.00 -0.12 0.29 0.20 -2.11 0.00 0.00 174.94 173.20 1xm0 s ASN 117 N -2.77 5.62 0.16 4.50 -0.87 -1.26 -4.86 114.94 115.45 1xm0 s ASN 117 Ca 0.23 -0.28 -0.13 0.00 -1.57 0.00 0.00 52.86 51.11 1xm0 s ASN 117 Cb -0.08 -1.29 0.05 0.00 -0.02 0.00 0.00 41.25 39.91 1xm0 s ASN 117 CO 0.12 -0.21 1.71 0.77 -2.57 0.00 0.00 177.10 176.92 1xm0 h SER 118 N 1.27 0.75 0.00 -1.22 4.64 0.24 1.04 113.55 120.27 1xm0 h SER 118 Ca -0.47 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1xm0 h SER 118 Cb 1.25 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1xm0 h SER 118 CO 0.59 0.73 0.00 0.00 -0.87 0.00 0.00 176.83 177.27 1xm0 n ALA 119 N -2.35 2.51 -0.14 5.18 0.00 -1.26 -1.86 120.51 122.58 1xm0 n ALA 119 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xm0 n ALA 119 Cb 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1xm0 n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xm0 n ALA 120 N -0.88 2.07 -2.20 0.00 0.00 -0.15 -5.05 120.51 114.30 1xm0 n ALA 120 Ca 0.16 -0.56 -0.07 0.00 0.00 0.00 0.00 53.44 52.97 1xm0 n ALA 120 Cb 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 1xm0 n ALA 120 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xm0 s LEU 121 N -0.23 2.46 -0.05 0.00 0.20 0.34 -2.27 118.68 119.14 1xm0 s LEU 121 Ca 0.00 -0.94 0.00 0.00 0.69 0.00 0.00 54.13 53.88 1xm0 s LEU 121 Cb 0.00 0.17 0.02 0.00 -0.43 0.00 0.00 46.19 45.96 1xm0 s LEU 121 CO 0.00 -0.56 -0.02 -0.13 -0.29 0.00 0.00 176.35 175.35 1xm0 s ARG 122 N -3.63 0.66 -0.07 1.98 0.52 -0.66 -4.70 118.95 113.05 1xm0 s ARG 122 Ca 0.05 -0.01 -0.02 0.00 -0.52 0.00 0.00 55.73 55.22 1xm0 s ARG 122 Cb 0.06 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.69 1xm0 s ARG 122 CO -0.09 -0.15 0.03 -0.59 0.02 0.00 0.00 175.30 174.53 1xm0 s PHE 123 N 1.21 3.23 -0.06 -0.53 -0.71 -1.26 0.34 117.98 120.19 1xm0 s PHE 123 Ca -0.07 0.23 -0.04 0.00 -1.04 0.00 0.00 56.93 56.01 1xm0 s PHE 123 Cb -0.14 -1.79 0.03 0.00 -1.21 0.00 0.00 43.02 39.91 1xm0 s PHE 123 CO -0.02 0.52 0.14 0.54 -1.34 0.00 0.00 175.22 175.06 1xm0 s VAL 124 N -0.98 -0.02 0.36 -2.49 0.11 0.35 -4.98 120.40 112.76 1xm0 s VAL 124 Ca 0.16 0.09 -0.26 0.00 -2.93 0.00 0.00 61.98 59.04 1xm0 s VAL 124 Cb -0.12 -0.22 -0.12 0.00 -1.53 0.00 0.00 36.38 34.39 1xm0 s VAL 124 CO 0.05 0.04 0.96 -0.81 -3.33 0.00 0.00 175.10 172.01 1xm0 n PRO 125 N 3.61 1.28 0.25 1.54 -0.04 -1.26 -2.29 135.00 138.08 1xm0 n PRO 125 Ca -0.19 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 1xm0 n PRO 125 Cb 0.55 -1.90 0.74 0.00 -0.04 0.00 0.00 33.50 32.86 1xm0 n PRO 125 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xm0 h LYS 126 N 1.66 0.00 0.00 0.54 3.64 -1.84 0.65 116.57 121.22 1xm0 h LYS 126 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1xm0 h LYS 126 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1xm0 h LYS 126 CO 0.58 0.00 -0.92 0.72 -2.27 0.00 0.00 179.45 177.56 1xm0 n HIS 127 N -4.25 0.62 0.07 1.91 8.25 -1.26 -4.07 115.22 116.48 1xm0 n HIS 127 Ca -0.02 0.18 0.06 0.00 -0.26 0.00 0.00 57.72 57.68 1xm0 n HIS 127 Cb 0.14 -0.71 -0.08 0.00 1.12 0.00 0.00 29.99 30.46 1xm0 n HIS 127 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xm0 n LYS 128 N -2.29 0.79 -0.02 -0.41 4.01 -1.03 -4.53 118.16 114.68 1xm0 n LYS 128 Ca 0.01 -0.09 -0.07 0.00 -0.51 0.00 0.00 58.31 57.65 1xm0 n LYS 128 Cb 0.48 -1.23 0.10 0.00 -0.51 0.00 0.00 35.03 33.87 1xm0 n LYS 128 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 1xm0 h LEU 129 N 0.00 0.64 -1.61 -0.35 -0.00 0.16 -2.91 115.31 111.23 1xm0 h LEU 129 Ca 0.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 57.88 57.57 1xm0 h LEU 129 Cb 0.48 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 1xm0 h LEU 129 CO 0.00 0.95 -0.09 0.07 -0.00 0.00 0.00 178.44 179.37 1xm0 h LYS 130 N 0.50 0.13 0.00 0.17 2.10 -1.71 3.43 116.57 121.20 1xm0 h LYS 130 Ca 0.05 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1xm0 h LYS 130 Cb 0.88 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1xm0 h LYS 130 CO 0.08 0.23 -0.03 0.93 -2.00 0.00 0.00 179.45 178.66 1xm0 h GLU 131 N 0.13 0.00 0.00 0.07 5.08 -1.80 -3.26 114.58 114.80 1xm0 h GLU 131 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xm0 h GLU 131 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1xm0 h GLU 131 CO 0.01 0.00 -0.93 -1.91 -1.00 0.00 0.00 179.01 175.19 1xm0 n GLU 132 N -2.78 2.04 0.00 2.33 2.13 0.30 -5.07 120.64 119.60 1xm0 n GLU 132 Ca 0.04 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xm0 n GLU 132 Cb 0.49 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 31.04 1xm0 n GLU 132 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xm0 n GLY 133 N 1.46 4.64 0.00 8.31 0.00 1.12 -4.88 105.19 115.83 1xm0 n GLY 133 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1xm0 n GLY 133 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xm0 n TYR 134 N -1.32 0.00 -0.11 1.61 9.36 -1.26 -3.84 117.16 121.60 1xm0 n TYR 134 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 1xm0 n TYR 134 Cb 0.00 0.00 0.17 0.00 -0.63 0.00 0.00 39.34 38.88 1xm0 n TYR 134 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1xm0 h GLU 135 N 1.16 0.80 -0.05 2.98 4.11 -1.80 -2.70 114.58 119.08 1xm0 h GLU 135 Ca 0.00 -0.21 -0.16 0.00 0.07 0.00 0.00 59.36 59.06 1xm0 h GLU 135 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1xm0 h GLU 135 CO 0.00 0.79 -0.68 0.66 0.07 0.00 0.00 179.01 179.85 1xm0 h SER 136 N 0.75 0.28 -0.01 3.06 4.64 -1.94 -3.06 113.55 117.26 1xm0 h SER 136 Ca 0.15 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1xm0 h SER 136 Cb 0.43 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1xm0 h SER 136 CO 0.02 0.88 -0.00 1.88 -0.87 0.00 0.00 176.83 178.73 1xm0 h TYR 137 N 0.16 0.04 -0.21 4.77 -1.99 -1.90 -1.94 116.97 115.91 1xm0 h TYR 137 Ca -0.02 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.77 1xm0 h TYR 137 Cb 1.23 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.93 1xm0 h TYR 137 CO 0.02 0.05 0.35 -0.07 -0.00 0.00 0.00 178.16 178.51 1xm0 h LEU 138 N 0.04 0.00 -0.95 3.88 -0.00 -1.45 0.65 115.31 117.49 1xm0 h LEU 138 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.84 1xm0 h LEU 138 Cb 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 1xm0 h LEU 138 CO 0.00 0.00 0.17 0.45 -0.00 0.00 0.00 178.44 179.06 1xm0 h HIS 139 N 0.00 0.97 -0.67 1.13 3.86 -1.56 -1.75 115.15 117.13 1xm0 h HIS 139 Ca 0.10 -0.09 0.19 0.00 -1.16 0.00 0.00 60.37 59.41 1xm0 h HIS 139 Cb 0.80 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 1xm0 h HIS 139 CO 0.00 0.79 0.65 1.25 0.86 0.00 0.00 177.93 181.48 1xm0 h LEU 140 N 0.90 0.00 -5.55 2.43 6.46 0.14 -1.09 115.31 118.60 1xm0 h LEU 140 Ca 0.20 0.00 -0.63 0.00 -0.12 0.00 0.00 57.88 57.32 1xm0 h LEU 140 Cb 0.29 0.00 -0.39 0.00 -0.73 0.00 0.00 40.66 39.83 1xm0 h LEU 140 CO -0.00 0.00 -0.31 0.33 -0.62 0.00 0.00 178.44 177.84 1xm0 n PHE 141 N -3.75 3.78 -0.08 1.25 7.35 -0.66 -4.80 117.46 120.55 1xm0 n PHE 141 Ca 0.14 -3.72 -0.22 0.00 -0.76 0.00 0.00 57.45 52.88 1xm0 n PHE 141 Cb 0.90 -0.64 -0.12 0.00 0.35 0.00 0.00 39.48 39.97 1xm0 n PHE 141 CO 0.00 0.00 0.00 -2.95 -0.76 0.00 0.00 176.76 173.05 1xm0 h ASN 142 N 3.32 0.09 0.00 -2.13 7.08 -1.30 -3.50 115.58 119.16 1xm0 h ASN 142 Ca 0.21 -0.61 0.00 0.00 -3.08 0.00 0.00 56.30 52.82 1xm0 h ASN 142 Cb 0.48 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.69 1xm0 h ASN 142 CO 0.90 1.56 0.00 0.29 -2.08 0.00 0.00 177.43 178.09 1xm0 n LYS 143 N -4.24 0.00 -1.17 4.14 5.02 -1.26 -5.09 118.16 115.56 1xm0 n LYS 143 Ca -0.31 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1xm0 n LYS 143 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.77 1xm0 n LYS 143 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xm0 n LEU 144 N -1.21 -1.56 -4.59 -0.35 -0.00 -1.26 -4.95 117.00 103.08 1xm0 n LEU 144 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 1xm0 n LEU 144 Cb 0.00 -0.41 -0.03 0.00 -0.00 0.00 0.00 43.42 42.98 1xm0 n LEU 144 CO 0.00 0.00 1.87 -0.62 -0.00 0.00 0.00 177.39 178.64 1xm0 n GLU 145 N -1.15 1.81 0.00 1.96 4.71 -1.26 -4.68 120.64 122.03 1xm0 n GLU 145 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.61 1xm0 n GLU 145 Cb 0.39 -3.22 0.00 0.00 -1.01 0.00 0.00 31.44 27.60 1xm0 n GLU 145 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1xm0 n HIS 146 N 12.09 0.00 1.28 -0.32 -0.00 -1.26 -5.32 115.22 121.69 1xm0 n HIS 146 Ca 0.31 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.63 1xm0 n HIS 146 Cb 0.45 0.18 0.34 0.00 -0.12 0.00 0.00 29.99 30.83 1xm0 n HIS 146 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38