#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xke n SER 2 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.01 113.62 112.37 1xke n SER 2 Ca 0.00 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1xke n SER 2 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1xke n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xke n GLY 3 N 0.00 -1.78 0.04 5.00 0.00 -1.26 -5.10 105.19 102.08 1xke n GLY 3 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 46.02 46.80 1xke n GLY 3 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xke n GLU 4 N 0.00 0.22 -3.67 1.61 -0.58 -1.26 -5.01 120.64 111.95 1xke n GLU 4 Ca 0.00 0.15 -0.11 0.00 -0.42 0.00 0.00 57.16 56.78 1xke n GLU 4 Cb 0.00 -0.96 -0.08 0.00 -0.57 0.00 0.00 31.44 29.83 1xke n GLU 4 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1xke s GLU 5 N -1.77 0.63 0.00 3.49 1.03 -1.26 -4.91 118.70 115.91 1xke s GLU 5 Ca -0.11 0.92 0.00 0.00 0.03 0.00 0.00 54.97 55.81 1xke s GLU 5 Cb 0.02 0.21 0.00 0.00 -0.80 0.00 0.00 34.13 33.55 1xke s GLU 5 CO 0.17 -0.12 0.00 -3.47 -1.33 0.00 0.00 175.26 170.51 1xke n ASP 6 N 3.50 0.00 -4.88 0.83 -0.08 -1.26 -5.08 116.55 109.59 1xke n ASP 6 Ca -0.17 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.74 1xke n ASP 6 Cb 0.57 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.97 1xke n ASP 6 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1xke s GLU 7 N 0.00 3.52 0.25 -0.67 1.03 -1.26 -1.36 118.70 120.22 1xke s GLU 7 Ca 0.00 -0.06 0.11 0.00 0.03 0.00 0.00 54.97 55.06 1xke s GLU 7 Cb 0.00 -3.18 -0.05 0.00 -0.80 0.00 0.00 34.13 30.10 1xke s GLU 7 CO 0.00 0.75 -0.17 -1.59 -1.33 0.00 0.00 175.26 172.92 1xke s LYS 8 N -1.17 1.77 -0.27 -4.83 -2.85 -0.50 -4.77 119.74 107.13 1xke s LYS 8 Ca 0.18 -1.63 -0.21 0.00 -1.00 0.00 0.00 55.97 53.31 1xke s LYS 8 Cb -0.13 -1.87 -0.01 0.00 -2.06 0.00 0.00 37.83 33.76 1xke s LYS 8 CO 0.08 0.36 0.67 0.08 0.10 0.00 0.00 175.35 176.63 1xke s VAL 9 N -2.26 4.94 -0.25 1.79 1.01 -1.26 -1.08 120.40 123.29 1xke s VAL 9 Ca 0.28 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 1xke s VAL 9 Cb -0.06 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 1xke s VAL 9 CO 0.15 -0.05 -0.29 0.18 0.00 0.00 0.00 175.10 175.09 1xke n LEU 10 N 5.83 2.14 -3.88 3.92 7.99 -1.06 -5.02 117.00 126.92 1xke n LEU 10 Ca 0.01 0.18 -0.15 0.00 -0.01 0.00 0.00 56.01 56.04 1xke n LEU 10 Cb 0.49 -0.77 -0.15 0.00 -0.11 0.00 0.00 43.42 42.88 1xke n LEU 10 CO 0.45 0.64 -0.38 -0.72 -1.51 0.00 0.00 177.39 175.87 1xke s TYR 11 N -2.47 0.25 -0.10 -1.77 1.13 -1.26 -5.05 117.35 108.08 1xke s TYR 11 Ca -0.35 -0.02 -0.00 0.00 -1.41 0.00 0.00 57.07 55.29 1xke s TYR 11 Cb 0.12 -0.23 0.02 0.00 -1.10 0.00 0.00 41.96 40.78 1xke s TYR 11 CO 0.48 -0.04 -0.08 -1.54 -2.51 0.00 0.00 175.55 171.86 1xke s SER 12 N 0.29 2.05 0.07 -0.18 1.04 -1.25 -2.04 113.70 113.69 1xke s SER 12 Ca -0.03 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 55.99 1xke s SER 12 Cb -0.05 -0.80 0.02 0.00 0.10 0.00 0.00 66.02 65.28 1xke s SER 12 CO -0.01 -0.10 0.29 -1.58 0.98 0.00 0.00 173.24 172.82 1xke s GLN 13 N 1.56 0.87 -0.11 4.02 0.74 0.37 -4.91 119.66 122.19 1xke s GLN 13 Ca 0.02 -0.66 -0.30 0.00 0.05 0.00 0.00 55.36 54.47 1xke s GLN 13 Cb -0.13 0.37 -0.02 0.00 1.10 0.00 0.00 33.01 34.33 1xke s GLN 13 CO -0.06 -0.29 1.13 0.50 -0.55 0.00 0.00 175.29 176.02 1xke s ARG 14 N -3.13 4.34 0.37 1.67 3.52 -1.25 0.80 118.95 125.26 1xke s ARG 14 Ca -0.01 1.54 0.04 0.00 -0.13 0.00 0.00 55.73 57.17 1xke s ARG 14 Cb 0.01 -3.60 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1xke s ARG 14 CO -0.07 -0.48 0.07 0.54 -0.81 0.00 0.00 175.30 174.55 1xke s VAL 15 N 2.51 1.11 -0.08 7.11 0.11 0.29 -4.82 120.40 126.63 1xke s VAL 15 Ca 0.52 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.59 1xke s VAL 15 Cb -0.21 -2.66 0.01 0.00 -1.53 0.00 0.00 36.38 32.00 1xke s VAL 15 CO 0.17 0.00 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.25 1xke s LYS 16 N -3.83 2.08 0.07 1.54 1.02 -0.34 -0.12 119.74 120.16 1xke s LYS 16 Ca 0.31 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.78 1xke s LYS 16 Cb 0.07 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 1xke s LYS 16 CO 0.14 0.06 0.09 -1.17 -0.92 0.00 0.00 175.35 173.56 1xke s LEU 17 N 0.60 3.87 0.06 3.17 2.96 0.15 -1.15 118.68 128.35 1xke s LEU 17 Ca -0.15 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.87 1xke s LEU 17 Cb -0.16 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1xke s LEU 17 CO 0.05 0.19 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.71 1xke s PHE 18 N -1.37 1.66 0.06 5.38 0.08 0.17 0.68 117.98 124.64 1xke s PHE 18 Ca 0.29 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.02 1xke s PHE 18 Cb -0.12 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 1xke s PHE 18 CO 0.22 0.12 -0.18 -0.98 -0.10 0.00 0.00 175.22 174.29 1xke s ARG 19 N -1.43 2.02 -0.14 0.44 1.04 0.21 -2.26 118.95 118.83 1xke s ARG 19 Ca 0.05 -1.02 -0.19 0.00 -1.04 0.00 0.00 55.73 53.54 1xke s ARG 19 Cb -0.09 -2.18 -0.04 0.00 -2.04 0.00 0.00 34.95 30.60 1xke s ARG 19 CO 0.02 0.53 0.51 0.12 -0.04 0.00 0.00 175.30 176.44 1xke s PHE 20 N -0.98 3.48 -0.24 5.89 5.36 -1.25 0.10 117.98 130.34 1xke s PHE 20 Ca 0.15 0.89 -0.21 0.00 -0.96 0.00 0.00 56.93 56.80 1xke s PHE 20 Cb -0.11 -2.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.95 1xke s PHE 20 CO 0.06 0.09 0.67 0.34 -1.46 0.00 0.00 175.22 174.92 1xke s ASP 21 N 0.78 6.66 0.20 6.13 -1.08 0.19 -4.84 116.67 124.72 1xke s ASP 21 Ca 0.26 0.81 -0.04 0.00 -0.52 0.00 0.00 52.55 53.06 1xke s ASP 21 Cb -0.15 -2.36 0.15 0.00 -1.46 0.00 0.00 42.92 39.09 1xke s ASP 21 CO 0.11 -0.37 1.57 0.00 0.52 0.00 0.00 175.17 176.99 1xke h ALA 22 N 7.74 0.78 0.04 3.66 0.00 -1.93 0.41 119.26 129.96 1xke h ALA 22 Ca -0.27 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 53.96 1xke h ALA 22 Cb 1.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1xke h ALA 22 CO 0.79 0.65 -1.20 0.93 0.00 0.00 0.00 179.25 180.42 1xke h GLU 23 N 0.57 0.07 -0.00 0.00 4.39 -1.97 -3.29 114.58 114.35 1xke h GLU 23 Ca 0.05 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1xke h GLU 23 Cb 0.90 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1xke h GLU 23 CO 0.08 0.98 -0.86 0.28 -1.16 0.00 0.00 179.01 178.33 1xke n VAL 24 N -3.35 0.00 -3.90 3.13 0.31 -1.22 -4.92 118.33 108.38 1xke n VAL 24 Ca -0.06 -0.07 -0.31 0.00 -0.01 0.00 0.00 64.34 63.89 1xke n VAL 24 Cb 0.98 1.05 0.01 0.00 -0.91 0.00 0.00 33.84 34.97 1xke n VAL 24 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xke n SER 25 N -1.19 -4.28 -4.04 4.52 7.64 0.14 -4.95 113.62 111.46 1xke n SER 25 Ca 0.05 -0.77 -0.14 0.00 1.01 0.00 0.00 58.87 59.01 1xke n SER 25 Cb 0.34 -3.45 -0.12 0.00 -1.01 0.00 0.00 64.21 59.97 1xke n SER 25 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xke s GLN 26 N -6.60 0.52 -0.70 1.43 0.74 -0.73 -4.76 119.66 109.56 1xke s GLN 26 Ca 0.65 -0.60 -0.27 0.00 0.05 0.00 0.00 55.36 55.19 1xke s GLN 26 Cb -0.33 -0.36 0.03 0.00 1.10 0.00 0.00 33.01 33.45 1xke s GLN 26 CO 0.80 0.08 1.23 1.67 -0.55 0.00 0.00 175.29 178.52 1xke s TRP 27 N -0.99 2.39 0.08 1.67 1.48 -1.25 0.54 118.94 122.85 1xke s TRP 27 Ca -0.06 0.02 0.10 0.00 -1.06 0.00 0.00 56.10 55.10 1xke s TRP 27 Cb -0.08 -4.57 -0.03 0.00 -1.16 0.00 0.00 33.47 27.63 1xke s TRP 27 CO 0.00 -1.93 -0.26 -1.59 -4.06 0.00 0.00 176.95 169.12 1xke s LYS 28 N 5.42 1.58 0.06 3.25 -2.85 0.11 -4.79 119.74 122.53 1xke s LYS 28 Ca 0.36 -1.17 -0.37 0.00 -1.00 0.00 0.00 55.97 53.78 1xke s LYS 28 Cb -0.09 -1.87 -0.17 0.00 -2.06 0.00 0.00 37.83 33.65 1xke s LYS 28 CO 0.17 0.47 1.35 -0.85 0.10 0.00 0.00 175.35 176.59 1xke n GLU 29 N 1.46 1.11 -0.10 1.78 -0.00 -1.26 0.66 120.64 124.29 1xke n GLU 29 Ca -0.17 0.40 -0.12 0.00 -0.00 0.00 0.00 57.16 57.27 1xke n GLU 29 Cb 0.52 -2.04 -0.11 0.00 -0.00 0.00 0.00 31.44 29.82 1xke n GLU 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1xke n ARG 30 N 2.64 0.82 -3.71 3.44 0.00 0.21 -4.66 116.66 115.41 1xke n ARG 30 Ca 0.19 0.07 0.01 0.00 -0.00 0.00 0.00 57.85 58.12 1xke n ARG 30 Cb 0.18 -1.42 -0.00 0.00 0.00 0.00 0.00 32.46 31.23 1xke n ARG 30 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1xke s GLY 31 N -5.64 -0.32 -0.05 5.14 0.00 -1.09 -4.97 107.32 100.40 1xke s GLY 31 Ca -0.21 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 44.94 1xke s GLY 31 CO 0.55 1.18 0.12 1.08 0.00 0.00 0.00 173.10 176.03 1xke s LEU 32 N -3.14 1.20 0.00 0.66 2.01 -1.26 0.34 118.68 118.49 1xke s LEU 32 Ca 0.17 0.25 0.00 0.00 0.01 0.00 0.00 54.13 54.56 1xke s LEU 32 Cb 0.03 0.35 0.00 0.00 0.01 0.00 0.00 46.19 46.58 1xke s LEU 32 CO -0.02 -0.09 0.00 0.61 1.01 0.00 0.00 176.35 177.86 1xke n GLY 33 N 3.55 -0.01 3.64 -3.19 0.00 0.83 -2.58 105.19 107.44 1xke n GLY 33 Ca -0.19 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1xke n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xke s ASN 34 N -4.00 6.81 -0.25 1.61 3.04 -0.13 0.10 114.94 122.13 1xke s ASN 34 Ca 0.00 0.98 -0.20 0.00 0.04 0.00 0.00 52.86 53.68 1xke s ASN 34 Cb 0.00 -2.44 -0.02 0.00 -1.54 0.00 0.00 41.25 37.25 1xke s ASN 34 CO 0.00 -0.56 0.61 -0.22 -3.04 0.00 0.00 177.10 173.89 1xke s LEU 35 N 2.92 4.06 -0.08 3.21 2.96 0.24 -0.88 118.68 131.11 1xke s LEU 35 Ca 0.35 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 1xke s LEU 35 Cb -0.15 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 1xke s LEU 35 CO 0.09 -0.36 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.12 1xke s LYS 36 N 2.47 2.87 -0.14 1.98 1.02 0.18 -0.48 119.74 127.64 1xke s LYS 36 Ca 0.25 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 1xke s LYS 36 Cb -0.16 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1xke s LYS 36 CO 0.09 0.52 -0.05 0.42 -0.92 0.00 0.00 175.35 175.41 1xke s ILE 37 N -0.44 3.80 -0.13 2.17 -1.09 -0.87 -0.35 121.20 124.29 1xke s ILE 37 Ca 0.06 -0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.05 1xke s ILE 37 Cb -0.12 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 1xke s ILE 37 CO 0.02 0.51 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.44 1xke s LEU 38 N 0.16 3.23 -0.18 2.97 2.01 0.71 -2.56 118.68 125.01 1xke s LEU 38 Ca -0.02 -0.10 -0.00 0.00 0.01 0.00 0.00 54.13 54.01 1xke s LEU 38 Cb -0.14 -1.76 0.00 0.00 0.01 0.00 0.00 46.19 44.31 1xke s LEU 38 CO 0.03 0.22 -0.15 -0.54 1.01 0.00 0.00 176.35 176.92 1xke s LYS 39 N 0.07 3.17 0.44 1.70 1.02 -0.24 0.47 119.74 126.37 1xke s LYS 39 Ca -0.01 -0.75 -0.25 0.00 0.02 0.00 0.00 55.97 54.98 1xke s LYS 39 Cb -0.14 -2.69 -0.08 0.00 -0.52 0.00 0.00 37.83 34.41 1xke s LYS 39 CO 0.03 -0.11 1.28 -0.80 -0.92 0.00 0.00 175.35 174.83 1xke s ASN 40 N 1.12 6.13 0.34 2.83 -0.87 -1.14 -1.41 114.94 121.94 1xke s ASN 40 Ca 0.01 2.60 0.26 0.00 -1.57 0.00 0.00 52.86 54.16 1xke s ASN 40 Cb -0.14 -2.63 0.83 0.00 -0.02 0.00 0.00 41.25 39.28 1xke s ASN 40 CO -0.05 -0.97 1.76 -0.33 -2.57 0.00 0.00 177.10 174.93 1xke h GLU 41 N 2.37 0.00 0.00 -0.60 4.39 -1.58 -1.50 114.58 117.67 1xke h GLU 41 Ca -0.50 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.15 1xke h GLU 41 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1xke h GLU 41 CO 0.61 0.00 -0.24 0.28 -1.16 0.00 0.00 179.01 178.50 1xke h VAL 42 N 0.00 0.65 -1.75 3.13 2.07 -1.91 -3.46 116.25 114.98 1xke h VAL 42 Ca 0.00 -1.08 -0.27 0.00 0.82 0.00 0.00 66.70 66.17 1xke h VAL 42 Cb 0.68 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1xke h VAL 42 CO 0.00 0.23 -0.33 -3.20 0.02 0.00 0.00 177.57 174.29 1xke n ASN 43 N -3.50 -4.21 0.00 0.57 2.85 -0.56 -4.96 115.26 105.45 1xke n ASN 43 Ca -0.00 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1xke n ASN 43 Cb 0.40 -3.33 0.00 0.00 1.24 0.00 0.00 39.78 38.10 1xke n ASN 43 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xke n GLY 44 N -1.05 -0.08 3.21 8.20 0.00 -1.26 -4.95 105.19 109.26 1xke n GLY 44 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1xke n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xke s LYS 45 N -0.80 1.11 0.21 1.61 1.02 -1.26 -5.04 119.74 116.59 1xke s LYS 45 Ca 0.00 -1.55 0.11 0.00 0.02 0.00 0.00 55.97 54.54 1xke s LYS 45 Cb 0.00 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 1xke s LYS 45 CO 0.00 -0.25 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.50 1xke s LEU 46 N -3.15 2.67 0.17 3.17 2.01 -1.09 -2.91 118.68 119.56 1xke s LEU 46 Ca 0.29 -0.80 0.11 0.00 0.01 0.00 0.00 54.13 53.74 1xke s LEU 46 Cb 0.07 -1.34 -0.04 0.00 0.01 0.00 0.00 46.19 44.89 1xke s LEU 46 CO 0.06 0.09 -0.24 -0.13 1.01 0.00 0.00 176.35 177.14 1xke s ARG 47 N -2.94 1.45 -0.18 1.70 0.52 0.18 0.10 118.95 119.77 1xke s ARG 47 Ca 0.24 -1.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.01 1xke s ARG 47 Cb -0.08 -1.81 0.04 0.00 0.52 0.00 0.00 34.95 33.63 1xke s ARG 47 CO 0.13 0.40 -0.11 1.41 0.02 0.00 0.00 175.30 177.15 1xke s MET 48 N -2.47 2.04 0.11 3.54 1.75 0.33 -0.21 119.30 124.39 1xke s MET 48 Ca 0.18 -0.72 0.06 0.00 -1.25 0.00 0.00 55.69 53.96 1xke s MET 48 Cb -0.08 -2.27 -0.04 0.00 2.84 0.00 0.00 34.83 35.28 1xke s MET 48 CO 0.08 -0.37 -0.15 -0.48 -0.65 0.00 0.00 175.02 173.45 1xke s LEU 49 N 1.45 2.36 -0.03 4.11 0.05 0.52 0.34 118.68 127.49 1xke s LEU 49 Ca 0.01 -0.74 -0.01 0.00 0.05 0.00 0.00 54.13 53.44 1xke s LEU 49 Cb -0.15 -0.61 0.03 0.00 -2.05 0.00 0.00 46.19 43.41 1xke s LEU 49 CO -0.09 -0.09 0.05 0.00 -0.55 0.00 0.00 176.35 175.67 1xke s MET 50 N -2.32 -0.03 0.03 1.48 0.23 -0.97 0.47 119.30 118.19 1xke s MET 50 Ca 0.06 0.24 0.01 0.00 -1.03 0.00 0.00 55.69 54.97 1xke s MET 50 Cb -0.07 -0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 32.91 1xke s MET 50 CO 0.03 -0.19 0.10 0.50 -2.03 0.00 0.00 175.02 173.42 1xke s ARG 51 N 1.27 3.05 -0.16 3.16 3.52 -0.06 -0.25 118.95 129.48 1xke s ARG 51 Ca -0.07 -0.55 -0.28 0.00 -0.13 0.00 0.00 55.73 54.70 1xke s ARG 51 Cb -0.13 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.42 1xke s ARG 51 CO -0.03 0.61 0.94 1.03 -0.81 0.00 0.00 175.30 177.04 1xke s ARG 52 N -2.07 4.33 0.00 5.12 0.52 -0.70 -0.95 118.95 125.20 1xke s ARG 52 Ca 0.27 1.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 1xke s ARG 52 Cb -0.12 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1xke s ARG 52 CO 0.19 -0.39 0.98 0.39 0.02 0.00 0.00 175.30 176.48 1xke n GLU 53 N 5.40 0.00 0.06 3.54 -0.58 -1.06 0.04 120.64 128.03 1xke n GLU 53 Ca 0.08 0.73 0.13 0.00 -0.42 0.00 0.00 57.16 57.68 1xke n GLU 53 Cb 0.48 -1.48 0.42 0.00 -0.57 0.00 0.00 31.44 30.29 1xke n GLU 53 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1xke n GLN 54 N -2.44 0.17 0.00 3.49 0.00 -1.26 -2.70 117.38 114.64 1xke n GLN 54 Ca 0.00 0.11 0.14 0.00 -0.00 0.00 0.00 57.00 57.25 1xke n GLN 54 Cb 0.00 -1.67 0.51 0.00 0.00 0.00 0.00 30.24 29.08 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1xke n VAL 55 N -1.94 0.00 -0.65 1.69 0.31 -0.97 -4.92 118.33 111.85 1xke n VAL 55 Ca 0.06 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.28 1xke n VAL 55 Cb 0.40 0.15 -0.00 0.00 -0.91 0.00 0.00 33.84 33.47 1xke n VAL 55 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1xke n LEU 56 N -0.75 0.49 -3.94 7.52 7.94 0.11 -4.87 117.00 123.49 1xke n LEU 56 Ca 0.14 0.02 -0.31 0.00 -1.11 0.00 0.00 56.01 54.75 1xke n LEU 56 Cb 0.31 -1.70 -0.15 0.00 0.53 0.00 0.00 43.42 42.41 1xke n LEU 56 CO 0.24 -0.60 -0.37 -0.75 -1.11 0.00 0.00 177.39 174.80 1xke s LYS 57 N -1.31 1.45 -0.18 1.96 2.47 -1.16 -4.85 119.74 118.11 1xke s LYS 57 Ca 0.00 -1.36 -0.28 0.00 -1.56 0.00 0.00 55.97 52.77 1xke s LYS 57 Cb 0.00 -2.72 -0.13 0.00 -1.46 0.00 0.00 37.83 33.53 1xke s LYS 57 CO 0.00 -0.80 0.86 1.55 0.16 0.00 0.00 175.35 177.13 1xke n VAL 58 N 4.53 0.00 -0.05 4.02 3.14 -1.26 -1.72 118.33 126.99 1xke n VAL 58 Ca -0.04 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.28 1xke n VAL 58 Cb 0.43 -0.18 -0.07 0.00 -1.06 0.00 0.00 33.84 32.95 1xke n VAL 58 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xke s ALA 60 N -2.25 0.54 -0.38 0.00 0.00 -1.21 -4.57 121.76 113.90 1xke s ALA 60 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1xke s ALA 60 Cb 0.03 -0.63 0.11 0.00 0.00 0.00 0.00 23.12 22.63 1xke s ALA 60 CO 0.38 -0.38 0.14 1.21 0.00 0.00 0.00 175.76 177.11 1xke s ASN 61 N 1.79 5.02 -0.21 0.00 2.47 -1.26 -2.28 114.94 120.49 1xke s ASN 61 Ca 0.02 -2.12 -0.09 0.00 0.42 0.00 0.00 52.86 51.09 1xke s ASN 61 Cb -0.13 -1.74 -0.05 0.00 -1.45 0.00 0.00 41.25 37.89 1xke s ASN 61 CO -0.04 -0.46 0.12 -1.00 -3.72 0.00 0.00 177.10 172.00 1xke s HIS 62 N 0.99 3.34 -0.16 0.43 3.76 0.15 -4.03 115.29 119.79 1xke s HIS 62 Ca 0.10 0.23 -0.26 0.00 -0.15 0.00 0.00 55.06 54.98 1xke s HIS 62 Cb -0.21 -2.17 -0.02 0.00 1.11 0.00 0.00 32.58 31.30 1xke s HIS 62 CO -0.06 0.19 0.84 -1.58 -0.85 0.00 0.00 174.74 173.29 1xke s TRP 63 N 0.54 3.44 -0.35 1.40 0.51 -1.25 0.12 118.94 123.35 1xke s TRP 63 Ca 0.07 1.29 -0.15 0.00 -2.12 0.00 0.00 56.10 55.19 1xke s TRP 63 Cb -0.12 -3.02 -0.01 0.00 -0.81 0.00 0.00 33.47 29.51 1xke s TRP 63 CO 0.00 -0.22 0.34 -1.50 -0.51 0.00 0.00 176.95 175.06 1xke s ILE 64 N 2.07 5.19 0.16 2.03 -1.16 0.11 -4.74 121.20 124.87 1xke s ILE 64 Ca 0.39 -0.08 -0.06 0.00 -0.51 0.00 0.00 60.65 60.40 1xke s ILE 64 Cb -0.17 -3.82 -0.02 0.00 0.61 0.00 0.00 42.46 39.06 1xke s ILE 64 CO 0.13 -0.11 0.21 0.28 -2.81 0.00 0.00 174.94 172.63 1xke s THR 65 N 1.95 0.07 -1.17 4.00 -1.32 -1.26 -2.69 115.64 115.22 1xke s THR 65 Ca 0.10 -1.62 0.22 0.00 -1.21 0.00 0.00 61.69 59.18 1xke s THR 65 Cb -0.17 -2.00 0.27 0.00 -1.51 0.00 0.00 72.50 69.09 1xke s THR 65 CO 0.11 -0.30 1.72 0.35 -2.21 0.00 0.00 174.62 174.29 1xke n THR 66 N -0.19 0.41 1.82 5.08 -2.24 -1.26 -1.96 114.28 115.94 1xke n THR 66 Ca -0.05 0.10 0.15 0.00 -2.27 0.00 0.00 64.05 61.98 1xke n THR 66 Cb 0.63 -0.73 0.81 0.00 -2.10 0.00 0.00 70.33 68.95 1xke n THR 66 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xke n THR 67 N -1.42 0.00 -4.16 4.28 -1.04 -1.26 -4.70 114.28 105.99 1xke n THR 67 Ca 0.07 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1xke n THR 67 Cb 0.23 -0.20 -0.10 0.00 -1.82 0.00 0.00 70.33 68.44 1xke n THR 67 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1xke s MET 68 N -2.04 0.85 -0.02 -2.82 0.00 -0.83 -5.13 119.30 109.32 1xke s MET 68 Ca 0.44 -1.37 -0.01 0.00 0.00 0.00 0.00 55.69 54.75 1xke s MET 68 Cb 0.22 -0.01 0.01 0.00 0.00 0.00 0.00 34.83 35.05 1xke s MET 68 CO 0.37 -0.12 0.04 1.21 0.00 0.00 0.00 175.02 176.52 1xke s ASN 69 N -3.04 -0.02 0.01 1.11 2.47 -1.26 -4.77 114.94 109.44 1xke s ASN 69 Ca 0.16 0.07 -0.20 0.00 0.42 0.00 0.00 52.86 53.30 1xke s ASN 69 Cb 0.07 0.05 -0.06 0.00 -1.45 0.00 0.00 41.25 39.86 1xke s ASN 69 CO -0.03 -0.04 0.59 -1.48 -3.72 0.00 0.00 177.10 172.43 1xke s LEU 70 N 0.23 4.43 -0.02 3.21 0.05 -1.26 -4.03 118.68 121.29 1xke s LEU 70 Ca -0.02 1.18 0.03 0.00 0.05 0.00 0.00 54.13 55.37 1xke s LEU 70 Cb -0.03 -2.92 -0.00 0.00 -2.05 0.00 0.00 46.19 41.19 1xke s LEU 70 CO -0.01 0.13 -0.10 -0.75 -0.55 0.00 0.00 176.35 175.07 1xke s LYS 71 N -0.33 0.94 0.34 1.48 2.20 0.11 -4.93 119.74 119.55 1xke s LYS 71 Ca 0.31 -0.35 -0.19 0.00 -0.36 0.00 0.00 55.97 55.38 1xke s LYS 71 Cb -0.18 -0.89 -0.10 0.00 -1.51 0.00 0.00 37.83 35.15 1xke s LYS 71 CO 0.17 0.17 0.82 -1.25 -0.36 0.00 0.00 175.35 174.90 1xke s PRO 72 N -0.01 4.16 0.59 4.03 0.04 -1.26 0.38 135.00 142.93 1xke s PRO 72 Ca 0.00 0.90 -0.03 0.00 0.04 0.00 0.00 61.00 61.91 1xke s PRO 72 Cb -0.07 -2.45 0.12 0.00 0.04 0.00 0.00 34.50 32.14 1xke s PRO 72 CO 0.00 0.14 0.81 1.47 0.04 0.00 0.00 177.00 179.46 1xke n LEU 73 N -0.21 0.00 -4.85 -3.56 -0.00 -1.24 -4.87 117.00 102.27 1xke n LEU 73 Ca 0.04 -1.48 -0.35 0.00 -0.00 0.00 0.00 56.01 54.22 1xke n LEU 73 Cb 0.53 -0.55 -0.06 0.00 -0.00 0.00 0.00 43.42 43.34 1xke n LEU 73 CO 0.41 -0.94 0.20 -0.44 -0.00 0.00 0.00 177.39 176.61 1xke s SER 74 N -4.19 6.79 0.00 1.45 0.01 -1.26 -4.25 113.70 112.25 1xke s SER 74 Ca 0.51 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.79 1xke s SER 74 Cb -0.03 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1xke s SER 74 CO 0.35 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1xke n GLY 75 N 0.85 1.35 3.80 3.44 0.00 -1.26 -4.97 105.19 108.38 1xke n GLY 75 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1xke n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xke s SER 76 N -3.18 6.96 -0.08 1.61 1.04 -1.26 -4.94 113.70 113.85 1xke s SER 76 Ca 0.00 1.85 -0.25 0.00 0.48 0.00 0.00 55.95 58.03 1xke s SER 76 Cb 0.00 -2.57 -0.27 0.00 0.10 0.00 0.00 66.02 63.28 1xke s SER 76 CO 0.00 -0.34 0.89 -2.24 0.98 0.00 0.00 173.24 172.53 1xke h ASP 77 N 2.43 0.22 0.00 7.02 3.04 -1.95 -3.44 116.42 123.74 1xke h ASP 77 Ca -0.48 -0.91 -0.09 0.00 -3.24 0.00 0.00 57.03 52.30 1xke h ASP 77 Cb 1.20 -0.07 -0.09 0.00 -1.04 0.00 0.00 39.33 39.32 1xke h ASP 77 CO 0.62 1.12 0.16 -1.14 -2.04 0.00 0.00 179.24 177.96 1xke n ARG 78 N -4.42 0.23 -4.37 4.15 3.00 -1.26 -4.75 116.66 109.24 1xke n ARG 78 Ca -0.11 -0.76 -0.35 0.00 -0.00 0.00 0.00 57.85 56.64 1xke n ARG 78 Cb 0.60 -0.02 -0.09 0.00 0.00 0.00 0.00 32.46 32.94 1xke n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xke s ALA 79 N 0.04 3.28 0.18 5.13 0.00 -1.26 -3.96 121.76 125.17 1xke s ALA 79 Ca 0.06 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1xke s ALA 79 Cb 0.09 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 1xke s ALA 79 CO -0.03 0.60 -0.05 -1.58 0.00 0.00 0.00 175.76 174.69 1xke s TRP 80 N -0.91 1.38 0.02 0.00 0.52 -1.23 -3.70 118.94 115.03 1xke s TRP 80 Ca 0.14 -0.84 0.06 0.00 0.02 0.00 0.00 56.10 55.47 1xke s TRP 80 Cb -0.11 -0.75 -0.02 0.00 -1.15 0.00 0.00 33.47 31.43 1xke s TRP 80 CO 0.03 0.01 -0.17 0.00 0.02 0.00 0.00 176.95 176.85 1xke s MET 81 N -3.81 1.20 0.05 4.98 0.23 0.16 -2.20 119.30 119.90 1xke s MET 81 Ca 0.22 -0.73 0.03 0.00 -1.03 0.00 0.00 55.69 54.17 1xke s MET 81 Cb 0.04 -1.21 -0.03 0.00 -1.53 0.00 0.00 34.83 32.10 1xke s MET 81 CO 0.04 0.32 -0.09 1.67 -2.03 0.00 0.00 175.02 174.93 1xke s TRP 82 N -0.65 0.75 -0.21 3.16 -2.14 -0.46 0.07 118.94 119.46 1xke s TRP 82 Ca 0.05 -0.51 -0.09 0.00 2.66 0.00 0.00 56.10 58.22 1xke s TRP 82 Cb -0.07 -0.44 -0.04 0.00 -3.10 0.00 0.00 33.47 29.81 1xke s TRP 82 CO 0.01 -0.07 0.10 -0.48 -2.66 0.00 0.00 176.95 173.85 1xke s LEU 83 N -1.64 3.90 0.13 -4.66 2.34 -1.26 -1.65 118.68 115.83 1xke s LEU 83 Ca -0.08 0.06 -0.06 0.00 0.06 0.00 0.00 54.13 54.10 1xke s LEU 83 Cb -0.10 -2.02 -0.02 0.00 -0.56 0.00 0.00 46.19 43.50 1xke s LEU 83 CO 0.01 0.11 0.18 0.00 -1.06 0.00 0.00 176.35 175.58 1xke s ALA 84 N 0.78 0.17 -0.54 1.48 0.00 0.04 -4.79 121.76 118.91 1xke s ALA 84 Ca 0.05 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 1xke s ALA 84 Cb -0.13 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.74 1xke s ALA 84 CO 0.02 -0.55 0.96 -1.54 0.00 0.00 0.00 175.76 174.65 1xke s SER 85 N -2.95 6.37 0.37 0.00 1.04 -1.25 -1.57 113.70 115.71 1xke s SER 85 Ca 0.14 -0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.41 1xke s SER 85 Cb 0.05 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.69 1xke s SER 85 CO -0.03 -1.23 0.27 -0.62 0.98 0.00 0.00 173.24 172.61 1xke s ASP 86 N 2.77 4.95 0.00 7.02 2.15 -0.62 -3.86 116.67 129.08 1xke s ASP 86 Ca 0.33 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.58 1xke s ASP 86 Cb -0.12 -0.71 0.00 0.00 -0.30 0.00 0.00 42.92 41.79 1xke s ASP 86 CO 0.21 -0.46 0.00 0.49 -0.17 0.00 0.00 175.17 175.23 1xke n PHE 87 N -1.36 0.00 0.19 -5.34 3.72 -1.26 -2.01 117.46 111.40 1xke n PHE 87 Ca -0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 1xke n PHE 87 Cb 0.61 -2.06 0.32 0.00 -0.94 0.00 0.00 39.48 37.41 1xke n PHE 87 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1xke h SER 88 N 0.00 0.00 -2.13 4.37 0.02 -1.86 0.67 113.55 114.62 1xke h SER 88 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1xke h SER 88 Cb 0.92 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.05 1xke h SER 88 CO 0.00 0.38 -0.92 -0.67 -1.14 0.00 0.00 176.83 174.48 1xke n ASP 89 N -3.54 2.46 0.00 3.07 2.03 -1.26 -4.55 116.55 114.77 1xke n ASP 89 Ca -0.00 -3.29 0.00 0.00 0.52 0.00 0.00 54.79 52.02 1xke n ASP 89 Cb 0.52 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1xke n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xke n GLY 90 N 0.22 0.07 0.00 0.27 0.00 -1.21 -5.00 105.19 99.54 1xke n GLY 90 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1xke n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xke n ASP 91 N 0.00 0.00 -4.67 1.61 2.03 0.22 -4.96 116.55 110.79 1xke n ASP 91 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1xke n ASP 91 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1xke n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xke s ALA 92 N 0.00 3.62 0.20 -1.67 0.00 -0.43 -4.49 121.76 118.99 1xke s ALA 92 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.58 1xke s ALA 92 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1xke s ALA 92 CO 0.00 -1.10 0.05 0.21 0.00 0.00 0.00 175.76 174.92 1xke s LYS 93 N 3.20 1.20 -0.15 0.00 2.20 -0.85 -4.95 119.74 120.39 1xke s LYS 93 Ca 0.59 -1.61 -0.06 0.00 -0.36 0.00 0.00 55.97 54.53 1xke s LYS 93 Cb -0.25 -0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.85 1xke s LYS 93 CO 0.20 -0.22 0.04 -0.48 -0.36 0.00 0.00 175.35 174.53 1xke s LEU 94 N -3.21 3.72 0.05 5.43 2.34 -1.26 -1.59 118.68 124.16 1xke s LEU 94 Ca 0.30 0.09 -0.02 0.00 0.06 0.00 0.00 54.13 54.56 1xke s LEU 94 Cb 0.07 -1.91 -0.04 0.00 -0.56 0.00 0.00 46.19 43.75 1xke s LEU 94 CO 0.08 0.23 -0.01 -1.61 -1.06 0.00 0.00 176.35 173.98 1xke s GLU 95 N 0.02 0.62 -0.31 1.48 0.41 -0.61 -4.92 118.70 115.40 1xke s GLU 95 Ca 0.05 -1.18 -0.05 0.00 -0.41 0.00 0.00 54.97 53.38 1xke s GLU 95 Cb -0.12 0.22 0.04 0.00 -1.78 0.00 0.00 34.13 32.48 1xke s GLU 95 CO 0.01 -0.12 0.05 -0.65 -0.49 0.00 0.00 175.26 174.06 1xke s GLN 96 N -3.83 2.67 0.19 1.61 1.11 -1.26 -0.78 119.66 119.37 1xke s GLN 96 Ca 0.06 -1.12 0.11 0.00 0.01 0.00 0.00 55.36 54.42 1xke s GLN 96 Cb 0.07 -3.31 -0.04 0.00 -1.01 0.00 0.00 33.01 28.72 1xke s GLN 96 CO -0.10 -0.58 -0.21 -0.51 0.01 0.00 0.00 175.29 173.90 1xke s LEU 97 N 1.37 2.54 0.19 2.90 1.43 -0.66 -3.83 118.68 122.62 1xke s LEU 97 Ca -0.02 -0.81 0.10 0.00 -1.03 0.00 0.00 54.13 52.38 1xke s LEU 97 Cb -0.19 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1xke s LEU 97 CO 0.01 0.12 -0.16 0.00 0.23 0.00 0.00 176.35 176.55 1xke s ALA 98 N -1.66 2.76 -0.06 4.21 0.00 -0.96 -1.35 121.76 124.70 1xke s ALA 98 Ca 0.21 -1.57 -0.06 0.00 0.00 0.00 0.00 51.96 50.55 1xke s ALA 98 Cb -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1xke s ALA 98 CO 0.11 0.44 0.16 0.00 0.00 0.00 0.00 175.76 176.47 1xke s ALA 99 N -1.75 -0.40 0.05 0.00 0.00 -0.94 0.42 121.76 119.14 1xke s ALA 99 Ca 0.23 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.72 1xke s ALA 99 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1xke s ALA 99 CO 0.13 -0.08 -0.12 -1.59 0.00 0.00 0.00 175.76 174.09 1xke s LYS 100 N 0.16 0.78 0.43 0.00 -2.85 -0.30 -3.47 119.74 114.49 1xke s LYS 100 Ca -0.01 -0.77 0.05 0.00 -1.00 0.00 0.00 55.97 54.24 1xke s LYS 100 Cb -0.02 -0.74 0.01 0.00 -2.06 0.00 0.00 37.83 35.02 1xke s LYS 100 CO -0.00 0.17 0.60 -0.06 0.10 0.00 0.00 175.35 176.16 1xke s PHE 101 N -1.02 2.97 0.26 1.78 0.08 -1.26 -1.19 117.98 119.59 1xke s PHE 101 Ca -0.02 -0.16 -0.05 0.00 0.12 0.00 0.00 56.93 56.81 1xke s PHE 101 Cb -0.08 -2.34 0.28 0.00 -0.57 0.00 0.00 43.02 40.31 1xke s PHE 101 CO 0.01 -0.39 1.93 0.87 -0.10 0.00 0.00 175.22 177.54 1xke h LYS 102 N 0.55 1.28 -4.88 0.44 6.56 -1.93 -3.43 116.57 115.17 1xke h LYS 102 Ca -0.43 -0.09 -0.29 0.00 -1.06 0.00 0.00 60.65 58.78 1xke h LYS 102 Cb 1.27 -0.28 -0.15 0.00 -0.57 0.00 0.00 32.23 32.50 1xke h LYS 102 CO 0.51 0.86 -0.68 0.95 -2.06 0.00 0.00 179.45 179.02 1xke s THR 103 N -6.05 0.86 -1.29 -0.16 -4.23 -1.26 -5.01 115.64 98.51 1xke s THR 103 Ca -0.13 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 1xke s THR 103 Cb 0.18 -1.97 0.07 0.00 1.34 0.00 0.00 72.50 72.11 1xke s THR 103 CO 0.82 -0.62 1.04 -2.65 -0.54 0.00 0.00 174.62 172.66 1xke n PRO 104 N -0.21 0.04 0.08 3.99 -0.02 -1.26 -0.13 135.00 137.50 1xke n PRO 104 Ca -0.09 0.30 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1xke n PRO 104 Cb 0.62 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 1xke n PRO 104 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xke h GLU 105 N 0.00 -0.26 -0.07 -0.52 4.81 -1.95 0.25 114.58 116.85 1xke h GLU 105 Ca 0.00 0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.01 1xke h GLU 105 Cb 0.06 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.51 1xke h GLU 105 CO 0.00 0.13 -0.90 -0.07 -0.73 0.00 0.00 179.01 177.44 1xke h LEU 106 N -0.88 0.83 -0.10 1.64 4.07 -1.68 -0.35 115.31 118.85 1xke h LEU 106 Ca -0.03 -0.61 -0.03 0.00 0.08 0.00 0.00 57.88 57.30 1xke h LEU 106 Cb 0.51 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 1xke h LEU 106 CO 0.05 1.40 -0.05 0.00 -1.08 0.00 0.00 178.44 178.75 1xke h ALA 107 N 0.56 0.13 -0.01 1.53 0.00 -0.65 -2.58 119.26 118.25 1xke h ALA 107 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xke h ALA 107 Cb 1.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1xke h ALA 107 CO 0.17 -0.09 -0.02 1.49 0.00 0.00 0.00 179.25 180.80 1xke h GLU 108 N -0.17 0.03 -0.47 0.00 4.81 -0.31 -1.98 114.58 116.49 1xke h GLU 108 Ca 0.02 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1xke h GLU 108 Cb 0.51 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1xke h GLU 108 CO 0.02 0.66 0.03 0.93 -0.73 0.00 0.00 179.01 179.91 1xke h GLU 109 N -0.60 0.82 -0.31 1.92 5.08 -1.19 -1.73 114.58 118.56 1xke h GLU 109 Ca -0.00 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 57.98 1xke h GLU 109 Cb 0.66 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xke h GLU 109 CO 0.01 0.85 -0.34 0.35 -1.00 0.00 0.00 179.01 178.88 1xke h PHE 110 N 0.67 0.80 -0.64 4.33 3.04 -1.54 -0.80 116.94 122.80 1xke h PHE 110 Ca 0.14 -0.22 -0.07 0.00 3.98 0.00 0.00 57.97 61.80 1xke h PHE 110 Cb 0.46 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.77 1xke h PHE 110 CO 0.03 0.93 0.14 0.87 -2.02 0.00 0.00 178.31 178.27 1xke h LYS 111 N 0.58 1.04 -0.06 1.11 6.56 -0.96 0.18 116.57 125.01 1xke h LYS 111 Ca 0.06 -0.26 -0.01 0.00 -1.06 0.00 0.00 60.65 59.38 1xke h LYS 111 Cb 0.85 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.38 1xke h LYS 111 CO 0.07 0.94 0.01 1.96 -2.06 0.00 0.00 179.45 180.38 1xke h GLN 112 N 0.95 0.10 0.00 3.15 1.08 -1.17 -2.11 115.11 117.12 1xke h GLN 112 Ca 0.20 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1xke h GLN 112 Cb 0.38 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1xke h GLN 112 CO 0.01 0.33 -0.07 -0.22 -0.95 0.00 0.00 178.83 177.93 1xke h LYS 113 N -0.15 0.00 0.24 1.46 3.64 -0.99 0.70 116.57 121.47 1xke h LYS 113 Ca 0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1xke h LYS 113 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xke h LYS 113 CO 0.00 0.07 -0.11 0.35 -2.27 0.00 0.00 179.45 177.49 1xke h PHE 114 N 0.00 -0.30 -0.08 1.91 3.57 -0.40 0.13 116.94 121.78 1xke h PHE 114 Ca -0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1xke h PHE 114 Cb 0.14 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1xke h PHE 114 CO 0.00 0.06 -0.38 1.49 -2.23 0.00 0.00 178.31 177.25 1xke h GLU 115 N -0.72 0.17 -0.11 1.11 4.57 -0.89 -2.10 114.58 116.60 1xke h GLU 115 Ca -0.03 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1xke h GLU 115 Cb 0.49 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1xke h GLU 115 CO 0.05 0.52 0.06 1.49 -1.18 0.00 0.00 179.01 179.96 1xke h GLU 116 N 0.14 0.16 -0.58 1.92 4.57 0.52 -1.51 114.58 119.81 1xke h GLU 116 Ca 0.02 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1xke h GLU 116 Cb 0.73 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 1xke h GLU 116 CO 0.06 0.21 0.38 0.00 -1.18 0.00 0.00 179.01 178.48 1xke h GLN 118 N 0.73 -0.11 -0.21 0.00 4.20 -0.77 0.03 115.11 118.98 1xke h GLN 118 Ca 0.22 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 1xke h GLN 118 Cb -0.01 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1xke h GLN 118 CO -0.05 -0.01 -0.24 0.00 -0.67 0.00 0.00 178.83 177.86 1xke h ARG 119 N -0.19 0.54 -0.05 1.46 2.47 -0.28 -3.31 114.38 115.03 1xke h ARG 119 Ca -0.01 -0.30 -0.10 0.00 -1.26 0.00 0.00 59.98 58.31 1xke h ARG 119 Cb 0.15 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1xke h ARG 119 CO 0.02 0.89 -0.38 -0.07 0.56 0.00 0.00 179.97 180.99 1xke h LEU 120 N 0.22 0.42 -2.94 3.04 4.07 -0.23 -3.35 115.31 116.54 1xke h LEU 120 Ca 0.03 -0.69 0.00 0.00 0.08 0.00 0.00 57.88 57.30 1xke h LEU 120 Cb 0.80 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1xke h LEU 120 CO 0.06 1.04 0.02 0.25 -1.08 0.00 0.00 178.44 178.72 1xke h LEU 121 N -0.18 0.00 -0.60 1.67 7.12 -1.06 -0.82 115.31 121.44 1xke h LEU 121 Ca -0.03 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.94 1xke h LEU 121 Cb 1.05 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.16 1xke h LEU 121 CO 0.08 0.00 0.24 -0.07 -0.13 0.00 0.00 178.44 178.56 1xke h LEU 122 N 0.00 0.82 0.00 2.25 3.38 -1.71 -3.36 115.31 116.69 1xke h LEU 122 Ca 0.00 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 1xke h LEU 122 Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1xke h LEU 122 CO 0.00 0.76 -1.58 -0.67 0.09 0.00 0.00 178.44 177.04 1xke n ASP 123 N -4.47 3.06 -4.77 -0.43 2.03 -0.35 -4.98 116.55 106.64 1xke n ASP 123 Ca 0.03 -0.03 -0.38 0.00 0.52 0.00 0.00 54.79 54.94 1xke n ASP 123 Cb 0.16 0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 1xke n ASP 123 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1xke s ILE 124 N -2.21 3.40 0.64 5.18 -5.25 -0.99 -4.99 121.20 116.99 1xke s ILE 124 Ca -0.09 1.16 -0.18 0.00 -0.99 0.00 0.00 60.65 60.56 1xke s ILE 124 Cb 0.03 -3.64 -0.01 0.00 2.95 0.00 0.00 42.46 41.79 1xke s ILE 124 CO 0.29 0.09 1.23 -2.84 -1.79 0.00 0.00 174.94 171.93 1xke s PRO 125 N -2.27 2.65 0.45 0.37 0.02 -1.26 -4.82 135.00 130.14 1xke s PRO 125 Ca 0.56 1.87 0.31 0.00 0.02 0.00 0.00 61.00 63.75 1xke s PRO 125 Cb -0.28 -1.88 1.35 0.00 0.02 0.00 0.00 34.50 33.71 1xke s PRO 125 CO 0.35 -1.47 1.91 -0.07 -0.33 0.00 0.00 177.00 177.39 1xke h LEU 126 N 0.49 0.00 -8.92 -5.54 3.38 -1.94 -3.41 115.31 99.37 1xke h LEU 126 Ca -0.50 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.89 1xke h LEU 126 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1xke h LEU 126 CO 0.53 0.00 1.44 -1.10 0.09 0.00 0.00 178.44 179.40 1xke s GLN 127 N -3.60 3.13 -0.15 1.13 -0.21 -1.26 -4.93 119.66 113.78 1xke s GLN 127 Ca 0.01 1.80 -0.29 0.00 0.02 0.00 0.00 55.36 56.90 1xke s GLN 127 Cb 0.09 -4.33 -0.01 0.00 1.00 0.00 0.00 33.01 29.76 1xke s GLN 127 CO 0.45 -2.11 1.07 0.99 -2.12 0.00 0.00 175.29 173.57 1xke s THR 128 N 8.11 4.62 0.16 -0.19 2.01 -1.26 -4.99 115.64 124.11 1xke s THR 128 Ca 0.94 1.92 -0.30 0.00 0.31 0.00 0.00 61.69 64.56 1xke s THR 128 Cb -0.29 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 67.90 1xke s THR 128 CO 0.34 -0.07 1.31 -2.16 -0.69 0.00 0.00 174.62 173.34 1xke s PRO 129 N 2.59 4.39 0.00 4.92 0.04 -1.26 -5.23 135.00 140.45 1xke s PRO 129 Ca 0.49 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1xke s PRO 129 Cb -0.18 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1xke s PRO 129 CO 0.14 -0.28 0.00 1.17 0.04 0.00 0.00 177.00 178.07