#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 -6.44 0.00 1.61 7.64 -1.26 -5.07 113.62 110.10 1xke n SER 2 Ca 0.00 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1xke n SER 2 Cb 0.00 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.69 1xke n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xke n GLY 3 N 1.12 -1.00 0.80 0.23 0.00 -1.26 -5.00 105.19 100.09 1xke n GLY 3 Ca 0.00 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 2.07 -3.54 1.61 -0.58 -1.26 -4.85 120.64 114.09 1xke n GLU 4 Ca 0.00 -1.61 -0.16 0.00 -0.42 0.00 0.00 57.16 54.97 1xke n GLU 4 Cb 0.00 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 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 -2.04 1.05 0.00 3.49 1.03 -1.26 -4.96 118.70 116.01 1xke s GLU 5 Ca 0.30 0.02 0.00 0.00 0.03 0.00 0.00 54.97 55.32 1xke s GLU 5 Cb 0.20 0.49 0.00 0.00 -0.80 0.00 0.00 34.13 34.02 1xke s GLU 5 CO 0.33 -0.36 0.00 -3.47 -1.33 0.00 0.00 175.26 170.43 1xke n ASP 6 N 0.67 0.00 -4.85 0.83 -0.08 -1.26 -5.08 116.55 106.78 1xke n ASP 6 Ca -0.19 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.72 1xke n ASP 6 Cb 0.59 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.99 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 3.74 0.20 -0.67 1.03 -1.26 -1.87 118.70 119.88 1xke s GLU 7 Ca 0.00 0.21 0.09 0.00 0.03 0.00 0.00 54.97 55.29 1xke s GLU 7 Cb 0.00 -3.21 -0.04 0.00 -0.80 0.00 0.00 34.13 30.08 1xke s GLU 7 CO 0.00 0.72 -0.04 -1.59 -1.33 0.00 0.00 175.26 173.03 1xke s LYS 8 N -1.05 2.25 -0.17 -4.83 -2.85 0.10 -4.70 119.74 108.49 1xke s LYS 8 Ca 0.20 -1.26 -0.29 0.00 -1.00 0.00 0.00 55.97 53.63 1xke s LYS 8 Cb -0.15 -2.23 -0.01 0.00 -2.06 0.00 0.00 37.83 33.38 1xke s LYS 8 CO 0.10 0.42 1.27 0.08 0.10 0.00 0.00 175.35 177.32 1xke s VAL 9 N -1.90 4.27 -0.21 1.79 1.01 -1.26 0.11 120.40 124.22 1xke s VAL 9 Ca 0.28 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 63.61 1xke s VAL 9 Cb -0.08 -4.00 -0.19 0.00 0.00 0.00 0.00 36.38 32.10 1xke s VAL 9 CO 0.18 -0.15 0.14 -0.11 0.00 0.00 0.00 175.10 175.16 1xke n LEU 10 N 6.66 2.03 -3.55 3.92 0.00 0.73 -4.93 117.00 121.86 1xke n LEU 10 Ca 0.14 0.36 -0.15 0.00 0.00 0.00 0.00 56.01 56.36 1xke n LEU 10 Cb 0.45 -0.97 -0.06 0.00 0.00 0.00 0.00 43.42 42.84 1xke n LEU 10 CO 0.56 0.43 0.53 -0.47 0.00 0.00 0.00 177.39 178.44 1xke s TYR 11 N -2.42 -0.61 -0.04 1.96 5.04 -1.25 -4.99 117.35 115.05 1xke s TYR 11 Ca -0.29 1.14 0.03 0.00 -2.44 0.00 0.00 57.07 55.50 1xke s TYR 11 Cb 0.07 0.40 0.01 0.00 0.35 0.00 0.00 41.96 42.79 1xke s TYR 11 CO 0.61 -0.50 -0.11 -1.54 -1.34 0.00 0.00 175.55 172.66 1xke s SER 12 N -0.87 1.56 0.00 4.32 1.04 -1.25 -0.64 113.70 117.86 1xke s SER 12 Ca -0.07 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 1xke s SER 12 Cb -0.01 -0.55 0.02 0.00 0.10 0.00 0.00 66.02 65.58 1xke s SER 12 CO 0.06 0.06 0.30 -1.10 0.98 0.00 0.00 173.24 173.54 1xke s GLN 13 N 0.37 0.71 -0.17 4.02 -1.52 0.88 -4.90 119.66 119.04 1xke s GLN 13 Ca -0.08 -0.30 -0.29 0.00 -1.95 0.00 0.00 55.36 52.74 1xke s GLN 13 Cb -0.12 0.31 -0.01 0.00 -0.22 0.00 0.00 33.01 32.97 1xke s GLN 13 CO 0.02 -0.20 1.15 0.50 -0.25 0.00 0.00 175.29 176.50 1xke s ARG 14 N -1.72 4.27 0.28 2.91 3.52 -1.25 0.89 118.95 127.85 1xke s ARG 14 Ca -0.11 1.52 -0.02 0.00 -0.13 0.00 0.00 55.73 56.99 1xke s ARG 14 Cb -0.04 -3.68 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1xke s ARG 14 CO 0.02 -0.62 0.34 0.54 -0.81 0.00 0.00 175.30 174.77 1xke s VAL 15 N 3.13 0.00 -0.09 7.11 0.11 0.12 -4.89 120.40 125.88 1xke s VAL 15 Ca 0.50 -1.75 0.03 0.00 -2.93 0.00 0.00 61.98 57.83 1xke s VAL 15 Cb -0.19 -2.49 0.01 0.00 -1.53 0.00 0.00 36.38 32.17 1xke s VAL 15 CO 0.12 0.00 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.16 1xke s LYS 16 N -3.62 2.56 0.09 1.54 1.02 -1.16 -0.88 119.74 119.30 1xke s LYS 16 Ca 0.33 -0.71 0.06 0.00 0.02 0.00 0.00 55.97 55.67 1xke s LYS 16 Cb 0.02 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1xke s LYS 16 CO 0.17 0.10 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.48 1xke s LEU 17 N 0.52 3.21 0.02 3.17 2.96 0.14 -2.30 118.68 126.41 1xke s LEU 17 Ca -0.16 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1xke s LEU 17 Cb -0.17 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1xke s LEU 17 CO 0.06 0.18 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.87 1xke s PHE 18 N -1.24 0.39 0.06 5.38 0.40 0.19 0.69 117.98 123.86 1xke s PHE 18 Ca 0.23 -0.44 0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1xke s PHE 18 Cb -0.11 -0.25 -0.03 0.00 0.51 0.00 0.00 43.02 43.13 1xke s PHE 18 CO 0.15 -0.12 -0.19 -0.98 0.70 0.00 0.00 175.22 174.78 1xke s ARG 19 N -1.29 1.97 -0.08 0.44 1.04 0.23 0.34 118.95 121.61 1xke s ARG 19 Ca -0.11 -1.04 -0.23 0.00 -1.04 0.00 0.00 55.73 53.30 1xke s ARG 19 Cb -0.09 -2.15 -0.04 0.00 -2.04 0.00 0.00 34.95 30.63 1xke s ARG 19 CO -0.00 0.52 0.69 0.12 -0.04 0.00 0.00 175.30 176.59 1xke s PHE 20 N -0.98 3.56 -0.23 5.89 5.36 0.16 0.37 117.98 132.11 1xke s PHE 20 Ca 0.15 1.22 -0.22 0.00 -0.96 0.00 0.00 56.93 57.13 1xke s PHE 20 Cb -0.10 -2.80 -0.02 0.00 -0.34 0.00 0.00 43.02 39.76 1xke s PHE 20 CO 0.06 0.07 0.70 0.34 -1.46 0.00 0.00 175.22 174.93 1xke s ASP 21 N 0.82 6.70 0.24 6.13 -1.08 0.25 -4.56 116.67 125.16 1xke s ASP 21 Ca 0.37 0.86 -0.00 0.00 -0.52 0.00 0.00 52.55 53.25 1xke s ASP 21 Cb -0.17 -2.37 0.27 0.00 -1.46 0.00 0.00 42.92 39.18 1xke s ASP 21 CO 0.17 -0.39 1.63 0.00 0.52 0.00 0.00 175.17 177.10 1xke h ALA 22 N 7.72 0.92 0.00 3.66 0.00 -1.93 0.58 119.26 130.21 1xke h ALA 22 Ca -0.27 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.04 1xke h ALA 22 Cb 1.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1xke h ALA 22 CO 0.81 0.62 -0.98 0.93 0.00 0.00 0.00 179.25 180.63 1xke h GLU 23 N 0.45 0.00 -0.00 0.00 4.39 -1.97 -3.32 114.58 114.14 1xke h GLU 23 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1xke h GLU 23 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1xke h GLU 23 CO 0.07 0.72 -0.52 0.28 -1.16 0.00 0.00 179.01 178.41 1xke n VAL 24 N -3.23 0.00 -2.92 3.13 0.31 -1.19 -4.94 118.33 109.49 1xke n VAL 24 Ca -0.02 -0.24 -0.20 0.00 -0.01 0.00 0.00 64.34 63.87 1xke n VAL 24 Cb 0.88 1.05 0.01 0.00 -0.91 0.00 0.00 33.84 34.87 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 -0.97 -4.73 -4.08 4.52 7.64 0.20 -4.94 113.62 111.25 1xke n SER 25 Ca 0.03 -0.17 -0.18 0.00 1.01 0.00 0.00 58.87 59.57 1xke n SER 25 Cb 0.23 -3.91 -0.13 0.00 -1.01 0.00 0.00 64.21 59.39 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 -5.57 0.74 -0.46 1.43 0.74 -0.75 -4.71 119.66 111.09 1xke s GLN 26 Ca 0.23 -0.62 -0.29 0.00 0.05 0.00 0.00 55.36 54.73 1xke s GLN 26 Cb -0.11 -0.68 0.03 0.00 1.10 0.00 0.00 33.01 33.34 1xke s GLN 26 CO 0.28 0.17 1.20 1.67 -0.55 0.00 0.00 175.29 178.06 1xke s TRP 27 N -0.79 2.73 0.03 1.67 1.48 -1.25 0.85 118.94 123.66 1xke s TRP 27 Ca -0.01 0.71 0.08 0.00 -1.06 0.00 0.00 56.10 55.82 1xke s TRP 27 Cb -0.07 -4.40 -0.02 0.00 -1.16 0.00 0.00 33.47 27.81 1xke s TRP 27 CO 0.01 -1.43 -0.23 0.15 -4.06 0.00 0.00 176.95 171.39 1xke s LYS 28 N 4.56 1.67 0.17 3.25 -0.14 0.16 -4.83 119.74 124.57 1xke s LYS 28 Ca 0.51 -0.97 -0.34 0.00 -1.36 0.00 0.00 55.97 53.81 1xke s LYS 28 Cb -0.09 -1.76 -0.15 0.00 -1.68 0.00 0.00 37.83 34.16 1xke s LYS 28 CO 0.32 0.46 1.38 -0.85 -0.76 0.00 0.00 175.35 175.90 1xke n GLU 29 N 2.00 1.66 -0.09 1.68 0.00 -1.26 0.75 120.64 125.38 1xke n GLU 29 Ca -0.17 0.60 -0.10 0.00 0.00 0.00 0.00 57.16 57.49 1xke n GLU 29 Cb 0.52 -2.25 -0.16 0.00 0.00 0.00 0.00 31.44 29.56 1xke n GLU 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xke n ARG 30 N 2.46 0.68 0.00 3.44 5.12 0.22 -4.66 116.66 123.91 1xke n ARG 30 Ca 0.15 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1xke n ARG 30 Cb 0.26 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1xke n ARG 30 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xke n GLY 31 N 1.75 3.97 3.58 -0.13 0.00 -1.10 -4.88 105.19 108.37 1xke n GLY 31 Ca -0.32 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1xke n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xke s LEU 32 N 0.00 3.33 0.00 0.99 2.01 -1.26 0.28 118.68 124.03 1xke s LEU 32 Ca 0.00 -0.02 0.00 0.00 0.01 0.00 0.00 54.13 54.12 1xke s LEU 32 Cb 0.00 -1.77 0.00 0.00 0.01 0.00 0.00 46.19 44.43 1xke s LEU 32 CO 0.00 0.28 0.00 0.61 1.01 0.00 0.00 176.35 178.25 1xke n GLY 33 N 2.78 -0.51 3.04 -3.19 0.00 -0.06 -3.21 105.19 104.04 1xke n GLY 33 Ca -0.18 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 2.41 -0.05 1.61 2.47 -0.64 0.12 114.94 116.87 1xke s ASN 34 Ca 0.00 -0.42 -0.22 0.00 0.42 0.00 0.00 52.86 52.64 1xke s ASN 34 Cb 0.00 -1.07 -0.04 0.00 -1.45 0.00 0.00 41.25 38.69 1xke s ASN 34 CO 0.00 -0.00 0.66 -1.48 -3.72 0.00 0.00 177.10 172.56 1xke s LEU 35 N 1.07 4.35 0.08 3.21 0.05 0.26 -2.58 118.68 125.12 1xke s LEU 35 Ca -0.05 1.17 0.09 0.00 0.05 0.00 0.00 54.13 55.39 1xke s LEU 35 Cb -0.15 -3.02 -0.03 0.00 -2.05 0.00 0.00 46.19 40.94 1xke s LEU 35 CO -0.03 -0.04 -0.24 -1.59 -0.55 0.00 0.00 176.35 173.90 1xke s LYS 36 N 0.49 1.73 -0.20 1.48 -2.85 0.23 -0.08 119.74 120.53 1xke s LYS 36 Ca 0.35 -1.17 -0.05 0.00 -1.00 0.00 0.00 55.97 54.10 1xke s LYS 36 Cb -0.18 -2.02 -0.02 0.00 -2.06 0.00 0.00 37.83 33.55 1xke s LYS 36 CO 0.18 0.49 -0.01 0.42 0.10 0.00 0.00 175.35 176.53 1xke s ILE 37 N -0.96 3.81 -0.12 3.79 -1.09 0.19 -0.50 121.20 126.31 1xke s ILE 37 Ca 0.14 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.18 1xke s ILE 37 Cb -0.10 -2.72 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1xke s ILE 37 CO 0.05 0.42 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.37 1xke s LEU 38 N 1.12 3.17 -0.10 2.97 1.43 0.81 -0.19 118.68 127.88 1xke s LEU 38 Ca 0.02 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1xke s LEU 38 Cb -0.14 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1xke s LEU 38 CO 0.01 0.23 -0.17 -0.75 0.23 0.00 0.00 176.35 175.90 1xke s LYS 39 N -0.03 3.04 0.56 1.70 2.20 0.12 0.41 119.74 127.74 1xke s LYS 39 Ca 0.00 -0.75 -0.21 0.00 -0.36 0.00 0.00 55.97 54.65 1xke s LYS 39 Cb -0.13 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.68 1xke s LYS 39 CO 0.03 0.31 1.30 -0.80 -0.36 0.00 0.00 175.35 175.83 1xke s ASN 40 N 0.07 5.23 0.47 1.43 -0.87 -0.74 0.03 114.94 120.56 1xke s ASN 40 Ca -0.07 2.63 0.31 0.00 -1.57 0.00 0.00 52.86 54.16 1xke s ASN 40 Cb -0.15 -2.62 1.22 0.00 -0.02 0.00 0.00 41.25 39.68 1xke s ASN 40 CO 0.05 -1.59 1.90 -0.08 -2.57 0.00 0.00 177.10 174.81 1xke h GLU 41 N 1.26 0.00 0.00 -0.60 4.22 -1.72 0.33 114.58 118.07 1xke h GLU 41 Ca -0.51 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.93 1xke h GLU 41 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1xke h GLU 41 CO 0.56 0.00 -0.02 0.28 -2.18 0.00 0.00 179.01 177.65 1xke h VAL 42 N 0.00 0.05 -0.37 0.32 2.07 -1.90 -3.46 116.25 112.96 1xke h VAL 42 Ca 0.00 -0.79 -0.16 0.00 0.82 0.00 0.00 66.70 66.57 1xke h VAL 42 Cb 0.51 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1xke h VAL 42 CO 0.00 0.02 -0.15 -3.20 0.02 0.00 0.00 177.57 174.27 1xke n ASN 43 N -3.11 -4.47 -0.01 0.57 5.15 0.12 -4.90 115.26 108.60 1xke n ASN 43 Ca 0.02 0.19 -0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1xke n ASN 43 Cb 0.41 -2.66 -0.00 0.00 -0.53 0.00 0.00 39.78 37.00 1xke n ASN 43 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1xke h GLY 44 N 0.00 0.00 -1.39 8.20 0.00 -1.81 -3.44 103.07 104.63 1xke h GLY 44 Ca -0.16 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.57 1xke h GLY 44 CO 0.23 0.00 -0.48 0.54 0.00 0.00 0.00 176.54 176.83 1xke s LYS 45 N -1.13 2.18 0.10 4.80 1.02 -1.26 -4.54 119.74 120.91 1xke s LYS 45 Ca -0.01 -2.03 0.04 0.00 0.02 0.00 0.00 55.97 53.99 1xke s LYS 45 Cb 0.00 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1xke s LYS 45 CO 0.01 -0.24 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.59 1xke s LEU 46 N -3.93 2.40 0.11 3.17 1.02 -1.26 -1.78 118.68 118.40 1xke s LEU 46 Ca 0.31 -0.81 0.10 0.00 0.02 0.00 0.00 54.13 53.76 1xke s LEU 46 Cb 0.03 -0.33 -0.04 0.00 0.02 0.00 0.00 46.19 45.88 1xke s LEU 46 CO 0.17 -0.25 -0.26 0.00 0.02 0.00 0.00 176.35 176.03 1xke s ARG 47 N -2.75 1.47 -0.19 1.70 3.03 0.16 -2.29 118.95 120.09 1xke s ARG 47 Ca 0.05 -1.28 0.01 0.00 2.03 0.00 0.00 55.73 56.55 1xke s ARG 47 Cb -0.03 -1.87 0.04 0.00 -1.03 0.00 0.00 34.95 32.05 1xke s ARG 47 CO 0.00 0.45 -0.13 1.41 -1.13 0.00 0.00 175.30 175.91 1xke s MET 48 N -1.85 2.27 0.05 3.89 1.75 0.32 -0.14 119.30 125.59 1xke s MET 48 Ca 0.13 -0.81 0.01 0.00 -1.25 0.00 0.00 55.69 53.77 1xke s MET 48 Cb -0.10 -2.40 -0.03 0.00 2.84 0.00 0.00 34.83 35.14 1xke s MET 48 CO 0.05 -0.36 -0.06 -0.48 -0.65 0.00 0.00 175.02 173.53 1xke s LEU 49 N 1.38 2.34 0.00 4.11 2.34 0.35 0.23 118.68 129.43 1xke s LEU 49 Ca 0.01 -0.70 0.00 0.00 0.06 0.00 0.00 54.13 53.50 1xke s LEU 49 Cb -0.15 -0.02 -0.00 0.00 -0.56 0.00 0.00 46.19 45.45 1xke s LEU 49 CO -0.09 -0.35 -0.02 0.00 -1.06 0.00 0.00 176.35 174.84 1xke s MET 50 N -2.39 0.13 0.01 1.48 0.23 -1.11 0.75 119.30 118.40 1xke s MET 50 Ca -0.04 -0.08 0.02 0.00 -1.03 0.00 0.00 55.69 54.56 1xke s MET 50 Cb -0.04 -0.11 -0.04 0.00 -1.53 0.00 0.00 34.83 33.12 1xke s MET 50 CO -0.03 0.03 0.00 0.50 -2.03 0.00 0.00 175.02 173.49 1xke s ARG 51 N -0.10 2.76 -0.14 3.16 3.52 -1.06 -0.50 118.95 126.60 1xke s ARG 51 Ca -0.00 -0.64 -0.27 0.00 -0.13 0.00 0.00 55.73 54.69 1xke s ARG 51 Cb -0.01 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.71 1xke s ARG 51 CO -0.00 0.61 0.90 1.03 -0.81 0.00 0.00 175.30 177.03 1xke s ARG 52 N -1.66 4.36 0.00 5.12 0.52 -0.20 -1.62 118.95 125.47 1xke s ARG 52 Ca 0.20 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 1xke s ARG 52 Cb -0.12 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.80 1xke s ARG 52 CO 0.11 -0.30 0.62 -1.91 0.02 0.00 0.00 175.30 173.84 1xke n GLU 53 N 5.06 0.00 0.00 3.54 2.13 -1.20 0.34 120.64 130.51 1xke n GLU 53 Ca 0.06 0.46 0.14 0.00 0.66 0.00 0.00 57.16 58.47 1xke n GLU 53 Cb 0.49 -1.12 0.60 0.00 0.27 0.00 0.00 31.44 31.68 1xke n GLU 53 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xke n GLN 54 N -1.28 0.22 0.00 5.31 6.02 -1.26 -2.38 117.38 124.02 1xke n GLN 54 Ca 0.00 -0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.08 1xke n GLN 54 Cb 0.00 -1.50 0.43 0.00 1.02 0.00 0.00 30.24 30.19 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1xke n VAL 55 N -1.35 0.00 -0.75 5.09 0.31 -1.00 -4.92 118.33 115.70 1xke n VAL 55 Ca 0.10 -0.17 -0.02 0.00 -0.01 0.00 0.00 64.34 64.23 1xke n VAL 55 Cb 0.30 0.44 -0.01 0.00 -0.91 0.00 0.00 33.84 33.66 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 -0.35 0.38 -3.89 7.52 7.94 0.15 -4.84 117.00 123.91 1xke n LEU 56 Ca 0.15 0.05 -0.30 0.00 -1.11 0.00 0.00 56.01 54.80 1xke n LEU 56 Cb 0.35 -1.80 -0.15 0.00 0.53 0.00 0.00 43.42 42.34 1xke n LEU 56 CO 0.22 -0.64 -0.37 -0.75 -1.11 0.00 0.00 177.39 174.75 1xke s LYS 57 N -1.56 1.26 0.14 1.96 2.20 -1.08 -4.82 119.74 117.84 1xke s LYS 57 Ca 0.00 -1.24 -0.29 0.00 -0.36 0.00 0.00 55.97 54.08 1xke s LYS 57 Cb 0.00 -2.55 -0.17 0.00 -1.51 0.00 0.00 37.83 33.60 1xke s LYS 57 CO 0.00 -0.82 0.61 1.55 -0.36 0.00 0.00 175.35 176.33 1xke n VAL 58 N 4.62 1.40 0.00 4.02 3.14 -1.26 -1.03 118.33 129.22 1xke n VAL 58 Ca -0.04 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 1xke n VAL 58 Cb 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 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 -1.65 0.84 -0.47 0.00 0.00 -1.23 -0.95 121.76 118.29 1xke s ALA 60 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 1xke s ALA 60 Cb 0.00 -0.73 0.11 0.00 0.00 0.00 0.00 23.12 22.50 1xke s ALA 60 CO 0.00 -0.38 0.36 1.21 0.00 0.00 0.00 175.76 176.95 1xke s ASN 61 N 1.74 5.77 -0.20 0.00 2.47 -1.26 -2.73 114.94 120.74 1xke s ASN 61 Ca 0.02 -1.82 -0.07 0.00 0.42 0.00 0.00 52.86 51.41 1xke s ASN 61 Cb -0.13 -2.04 -0.03 0.00 -1.45 0.00 0.00 41.25 37.60 1xke s ASN 61 CO -0.05 -0.69 0.04 -2.28 -3.72 0.00 0.00 177.10 170.40 1xke s HIS 62 N 1.41 3.15 0.11 0.43 5.65 0.14 -4.23 115.29 121.94 1xke s HIS 62 Ca 0.05 -0.15 -0.25 0.00 0.25 0.00 0.00 55.06 54.97 1xke s HIS 62 Cb -0.26 -2.10 -0.07 0.00 -1.18 0.00 0.00 32.58 28.97 1xke s HIS 62 CO 0.00 -0.04 0.76 -1.58 -0.65 0.00 0.00 174.74 173.23 1xke s TRP 63 N 0.74 3.83 -0.45 3.88 0.51 -1.26 0.12 118.94 126.31 1xke s TRP 63 Ca 0.02 1.54 -0.12 0.00 -2.12 0.00 0.00 56.10 55.42 1xke s TRP 63 Cb -0.14 -2.77 0.08 0.00 -0.81 0.00 0.00 33.47 29.84 1xke s TRP 63 CO 0.02 0.42 0.34 -1.50 -0.51 0.00 0.00 176.95 175.72 1xke s ILE 64 N -0.69 4.69 0.13 2.03 -1.16 -0.97 -4.90 121.20 120.33 1xke s ILE 64 Ca 0.36 -1.31 -0.04 0.00 -0.51 0.00 0.00 60.65 59.15 1xke s ILE 64 Cb -0.22 -3.87 -0.03 0.00 0.61 0.00 0.00 42.46 38.96 1xke s ILE 64 CO 0.24 -0.59 0.13 0.28 -2.81 0.00 0.00 174.94 172.20 1xke s THR 65 N 1.52 0.11 -1.75 4.00 -1.32 -1.26 -4.53 115.64 112.41 1xke s THR 65 Ca 0.04 -1.65 0.25 0.00 -1.21 0.00 0.00 61.69 59.11 1xke s THR 65 Cb -0.24 -1.84 0.59 0.00 -1.51 0.00 0.00 72.50 69.50 1xke s THR 65 CO 0.04 -0.50 1.85 0.35 -2.21 0.00 0.00 174.62 174.15 1xke n THR 66 N -0.10 0.10 1.94 5.08 -2.24 -0.95 -2.42 114.28 115.69 1xke n THR 66 Ca -0.08 0.02 0.16 0.00 -2.27 0.00 0.00 64.05 61.88 1xke n THR 66 Cb 0.63 -0.63 0.89 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.12 0.00 -4.31 4.28 -1.04 -1.26 -4.72 114.28 106.11 1xke n THR 67 Ca 0.16 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.05 61.97 1xke n THR 67 Cb 0.13 -0.38 -0.10 0.00 -1.82 0.00 0.00 70.33 68.16 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 -2.00 1.24 -0.04 -2.82 0.00 -1.01 -5.09 119.30 109.57 1xke s MET 68 Ca 0.46 -1.56 0.06 0.00 0.00 0.00 0.00 55.69 54.66 1xke s MET 68 Cb 0.22 -0.86 -0.01 0.00 0.00 0.00 0.00 34.83 34.17 1xke s MET 68 CO 0.36 0.10 -0.24 1.21 0.00 0.00 0.00 175.02 176.45 1xke s ASN 69 N -3.26 2.92 -0.13 1.11 3.84 -1.26 -4.90 114.94 113.25 1xke s ASN 69 Ca 0.21 -0.47 -0.01 0.00 0.21 0.00 0.00 52.86 52.80 1xke s ASN 69 Cb 0.02 -0.64 -0.02 0.00 -0.55 0.00 0.00 41.25 40.06 1xke s ASN 69 CO 0.05 0.26 -0.10 -1.48 -2.79 0.00 0.00 177.10 173.03 1xke s LEU 70 N -0.29 2.89 0.00 3.21 0.05 -1.26 -3.30 118.68 119.99 1xke s LEU 70 Ca 0.01 -0.25 0.02 0.00 0.05 0.00 0.00 54.13 53.96 1xke s LEU 70 Cb -0.12 -1.66 -0.01 0.00 -2.05 0.00 0.00 46.19 42.36 1xke s LEU 70 CO 0.02 0.19 -0.05 -0.75 -0.55 0.00 0.00 176.35 175.21 1xke s LYS 71 N 0.21 0.40 0.36 1.48 2.20 0.05 -4.94 119.74 119.50 1xke s LYS 71 Ca -0.06 -0.23 -0.25 0.00 -0.36 0.00 0.00 55.97 55.07 1xke s LYS 71 Cb -0.15 -0.36 -0.10 0.00 -1.51 0.00 0.00 37.83 35.71 1xke s LYS 71 CO 0.04 0.10 0.96 -2.14 -0.36 0.00 0.00 175.35 173.95 1xke s PRO 72 N -0.27 4.45 1.12 4.03 0.02 -1.26 -0.34 135.00 142.75 1xke s PRO 72 Ca 0.01 1.30 -0.16 0.00 0.02 0.00 0.00 61.00 62.17 1xke s PRO 72 Cb -0.03 -2.63 0.25 0.00 0.02 0.00 0.00 34.50 32.11 1xke s PRO 72 CO -0.00 0.16 1.10 -0.51 -0.33 0.00 0.00 177.00 177.42 1xke s LEU 73 N -2.38 1.06 0.04 -5.54 1.43 -1.15 -4.90 118.68 107.23 1xke s LEU 73 Ca 0.54 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.23 1xke s LEU 73 Cb -0.17 -2.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.15 1xke s LEU 73 CO 0.22 -3.71 1.83 -0.44 0.23 0.00 0.00 176.35 174.48 1xke s SER 74 N -3.66 6.52 0.00 2.29 0.01 -1.26 -2.21 113.70 115.39 1xke s SER 74 Ca 0.68 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.51 1xke s SER 74 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1xke s SER 74 CO 0.57 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1xke n GLY 75 N 4.32 2.75 3.90 3.44 0.00 -1.26 -4.96 105.19 113.38 1xke n GLY 75 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1xke n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xke s SER 76 N -1.85 6.42 -0.01 1.61 0.01 -0.94 -4.96 113.70 113.98 1xke s SER 76 Ca 0.00 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1xke s SER 76 Cb 0.00 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 1xke s SER 76 CO 0.00 0.24 -0.01 0.47 0.41 0.00 0.00 173.24 174.35 1xke n ASP 77 N 0.90 4.03 -0.41 2.44 9.92 -1.26 -3.94 116.55 128.22 1xke n ASP 77 Ca -0.10 -0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.21 1xke n ASP 77 Cb 0.52 0.04 0.04 0.00 -0.64 0.00 0.00 41.12 41.09 1xke n ASP 77 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1xke n ARG 78 N -2.47 0.77 -4.31 -1.24 5.12 -1.26 -4.78 116.66 108.48 1xke n ARG 78 Ca -0.01 -1.08 -0.34 0.00 -1.93 0.00 0.00 57.85 54.48 1xke n ARG 78 Cb 0.52 -1.20 -0.10 0.00 -1.16 0.00 0.00 32.46 30.52 1xke n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xke s ALA 79 N -1.00 3.22 0.09 7.54 0.00 -1.26 -4.02 121.76 126.33 1xke s ALA 79 Ca 0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1xke s ALA 79 Cb 0.09 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1xke s ALA 79 CO 0.16 0.39 0.07 1.67 0.00 0.00 0.00 175.76 178.04 1xke s TRP 80 N -0.23 0.56 0.06 0.00 -0.00 -1.10 -2.94 118.94 115.28 1xke s TRP 80 Ca 0.06 -1.01 0.04 0.00 -0.00 0.00 0.00 56.10 55.19 1xke s TRP 80 Cb -0.12 -0.33 -0.03 0.00 -0.00 0.00 0.00 33.47 32.99 1xke s TRP 80 CO 0.02 -0.49 -0.13 0.00 -0.00 0.00 0.00 176.95 176.35 1xke s MET 81 N -3.96 0.77 0.06 3.25 0.23 0.54 -1.24 119.30 118.95 1xke s MET 81 Ca 0.13 -0.87 0.03 0.00 -1.03 0.00 0.00 55.69 53.96 1xke s MET 81 Cb 0.07 -0.73 -0.03 0.00 -1.53 0.00 0.00 34.83 32.61 1xke s MET 81 CO -0.05 0.16 -0.11 -1.58 -2.03 0.00 0.00 175.02 171.41 1xke s TRP 82 N -1.21 0.93 -0.20 3.16 0.51 0.80 -0.77 118.94 122.16 1xke s TRP 82 Ca -0.03 -0.51 -0.08 0.00 -2.12 0.00 0.00 56.10 53.37 1xke s TRP 82 Cb -0.10 -0.53 -0.04 0.00 -0.81 0.00 0.00 33.47 31.99 1xke s TRP 82 CO 0.02 -0.02 0.07 -0.48 -0.51 0.00 0.00 176.95 176.03 1xke s LEU 83 N -1.76 3.77 0.11 2.99 0.05 -1.21 -0.84 118.68 121.80 1xke s LEU 83 Ca -0.05 0.03 -0.09 0.00 0.05 0.00 0.00 54.13 54.08 1xke s LEU 83 Cb -0.09 -1.97 -0.00 0.00 -2.05 0.00 0.00 46.19 42.08 1xke s LEU 83 CO 0.01 0.13 0.22 0.00 -0.55 0.00 0.00 176.35 176.15 1xke s ALA 84 N 0.64 -0.13 -0.60 1.48 0.00 -0.12 -4.75 121.76 118.28 1xke s ALA 84 Ca 0.04 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1xke s ALA 84 Cb -0.13 0.61 0.06 0.00 0.00 0.00 0.00 23.12 23.66 1xke s ALA 84 CO 0.01 -0.55 0.92 -1.54 0.00 0.00 0.00 175.76 174.61 1xke s SER 85 N -2.90 6.25 -0.08 0.00 1.04 -1.25 -0.51 113.70 116.25 1xke s SER 85 Ca 0.09 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.86 1xke s SER 85 Cb 0.04 -2.41 -0.01 0.00 0.10 0.00 0.00 66.02 63.74 1xke s SER 85 CO -0.07 -1.30 -0.22 1.51 0.98 0.00 0.00 173.24 174.14 1xke s ASP 86 N 3.22 3.26 0.00 7.02 -4.77 0.55 -4.61 116.67 121.34 1xke s ASP 86 Ca 0.25 -0.48 0.00 0.00 -3.30 0.00 0.00 52.55 49.02 1xke s ASP 86 Cb -0.15 -1.12 0.00 0.00 -1.09 0.00 0.00 42.92 40.56 1xke s ASP 86 CO 0.14 0.21 0.00 0.33 0.70 0.00 0.00 175.17 176.56 1xke n PHE 87 N 3.16 0.00 -0.01 2.11 -0.00 -1.25 -2.62 117.46 118.84 1xke n PHE 87 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.16 1xke n PHE 87 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 40.02 1xke n PHE 87 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1xke h SER 88 N 0.00 0.72 0.00 -2.13 0.02 -1.35 0.13 113.55 110.94 1xke h SER 88 Ca 0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1xke h SER 88 Cb 0.00 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1xke h SER 88 CO 0.00 1.14 -0.61 -0.67 -1.14 0.00 0.00 176.83 175.55 1xke n ASP 89 N -3.96 0.68 0.00 3.07 2.03 -1.25 -4.14 116.55 112.99 1xke n ASP 89 Ca -0.04 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1xke n ASP 89 Cb 0.63 1.05 0.00 0.00 -0.72 0.00 0.00 41.12 42.08 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 1.31 -0.66 0.20 0.27 0.00 -1.25 -5.10 105.19 99.97 1xke n GLY 90 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.06 -2.09 -4.66 1.61 2.03 0.43 -4.87 116.55 108.94 1xke n ASP 91 Ca 0.00 0.16 -0.43 0.00 0.52 0.00 0.00 54.79 55.04 1xke n ASP 91 Cb 0.06 0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.71 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 -2.02 3.62 0.08 -1.67 0.00 -1.03 -4.33 121.76 116.40 1xke s ALA 92 Ca 0.00 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.58 1xke s ALA 92 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1xke s ALA 92 CO 0.00 -1.30 -0.03 0.15 0.00 0.00 0.00 175.76 174.58 1xke s LYS 93 N 3.73 2.44 -0.21 0.00 3.01 -1.08 -4.79 119.74 122.84 1xke s LYS 93 Ca 0.60 -0.87 -0.19 0.00 -1.01 0.00 0.00 55.97 54.50 1xke s LYS 93 Cb -0.25 -2.48 -0.03 0.00 -1.01 0.00 0.00 37.83 34.07 1xke s LYS 93 CO 0.20 0.54 0.57 -0.48 0.51 0.00 0.00 175.35 176.68 1xke s LEU 94 N -2.17 4.13 0.11 3.17 2.34 -1.26 -0.33 118.68 124.67 1xke s LEU 94 Ca 0.23 0.72 -0.03 0.00 0.06 0.00 0.00 54.13 55.11 1xke s LEU 94 Cb -0.11 -2.78 -0.03 0.00 -0.56 0.00 0.00 46.19 42.70 1xke s LEU 94 CO 0.16 -0.24 0.09 -1.61 -1.06 0.00 0.00 176.35 173.68 1xke s GLU 95 N 1.89 0.88 -0.28 1.48 0.41 0.33 -4.93 118.70 118.49 1xke s GLU 95 Ca 0.26 -1.29 -0.06 0.00 -0.41 0.00 0.00 54.97 53.46 1xke s GLU 95 Cb -0.16 0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.47 1xke s GLU 95 CO 0.10 -0.25 0.06 -0.65 -0.49 0.00 0.00 175.26 174.02 1xke s GLN 96 N -3.98 3.17 -0.03 1.61 -0.21 -1.26 -0.95 119.66 118.00 1xke s GLN 96 Ca 0.17 -0.80 0.05 0.00 0.02 0.00 0.00 55.36 54.80 1xke s GLN 96 Cb 0.07 -3.31 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 1xke s GLN 96 CO -0.03 -0.39 -0.19 -0.48 -2.12 0.00 0.00 175.29 172.09 1xke s LEU 97 N 1.50 2.49 0.07 2.90 2.34 -0.02 0.38 118.68 128.35 1xke s LEU 97 Ca 0.03 -0.31 0.09 0.00 0.06 0.00 0.00 54.13 54.00 1xke s LEU 97 Cb -0.17 -1.48 -0.03 0.00 -0.56 0.00 0.00 46.19 43.95 1xke s LEU 97 CO 0.02 0.33 -0.24 0.00 -1.06 0.00 0.00 176.35 175.39 1xke s ALA 98 N -0.71 2.06 0.03 1.48 0.00 0.15 -0.14 121.76 124.64 1xke s ALA 98 Ca 0.11 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1xke s ALA 98 Cb -0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1xke s ALA 98 CO 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 175.76 176.15 1xke s ALA 99 N -0.91 0.62 0.01 0.00 0.00 -0.37 0.55 121.76 121.66 1xke s ALA 99 Ca 0.10 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1xke s ALA 99 Cb -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1xke s ALA 99 CO 0.03 0.03 -0.04 -1.59 0.00 0.00 0.00 175.76 174.19 1xke s LYS 100 N -1.26 0.32 0.52 0.00 -2.85 -0.97 -2.71 119.74 112.79 1xke s LYS 100 Ca -0.06 -0.38 0.04 0.00 -1.00 0.00 0.00 55.97 54.57 1xke s LYS 100 Cb -0.08 -0.16 0.04 0.00 -2.06 0.00 0.00 37.83 35.56 1xke s LYS 100 CO 0.00 0.03 0.73 -0.06 0.10 0.00 0.00 175.35 176.15 1xke s PHE 101 N -0.71 2.60 0.15 1.78 0.40 -1.26 -2.96 117.98 117.99 1xke s PHE 101 Ca -0.06 -0.23 -0.29 0.00 -0.60 0.00 0.00 56.93 55.76 1xke s PHE 101 Cb -0.05 -2.60 -0.02 0.00 0.51 0.00 0.00 43.02 40.85 1xke s PHE 101 CO -0.00 -0.82 1.56 0.87 0.70 0.00 0.00 175.22 177.53 1xke h LYS 102 N 0.22 -0.26 -4.57 0.44 1.57 -1.93 -3.44 116.57 108.59 1xke h LYS 102 Ca -0.40 0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.17 1xke h LYS 102 Cb 1.29 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 33.51 1xke h LYS 102 CO 0.48 -0.17 -0.65 0.95 -0.57 0.00 0.00 179.45 179.49 1xke s THR 103 N -5.74 0.27 -1.72 -0.16 -4.23 -1.26 -5.01 115.64 97.79 1xke s THR 103 Ca -0.14 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1xke s THR 103 Cb 0.11 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.81 1xke s THR 103 CO 0.64 -0.38 0.67 -2.65 -0.54 0.00 0.00 174.62 172.36 1xke n PRO 104 N -0.18 0.01 0.12 3.99 -0.02 -1.26 -0.24 135.00 137.42 1xke n PRO 104 Ca -0.05 0.14 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 1xke n PRO 104 Cb 0.64 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.56 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 -0.35 -0.06 -0.52 4.81 -1.97 0.50 114.58 116.99 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 0.00 0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.48 1xke h GLU 105 CO 0.00 -0.03 -0.91 -0.07 -0.73 0.00 0.00 179.01 177.27 1xke h LEU 106 N -0.96 0.91 -0.33 1.64 -0.00 -1.62 -0.25 115.31 114.70 1xke h LEU 106 Ca -0.04 -0.69 -0.05 0.00 -0.00 0.00 0.00 57.88 57.10 1xke h LEU 106 Cb 0.49 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 1xke h LEU 106 CO 0.06 1.47 0.01 0.00 -0.00 0.00 0.00 178.44 179.98 1xke h ALA 107 N 0.46 0.45 -0.20 1.53 0.00 -0.76 -2.54 119.26 118.20 1xke h ALA 107 Ca -0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1xke h ALA 107 Cb 1.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1xke h ALA 107 CO 0.18 0.20 -0.36 1.49 0.00 0.00 0.00 179.25 180.76 1xke h GLU 108 N 0.40 0.59 -0.59 0.00 4.81 -0.59 -1.06 114.58 118.13 1xke h GLU 108 Ca 0.10 -0.37 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1xke h GLU 108 Cb 0.44 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1xke h GLU 108 CO 0.02 0.98 0.33 0.93 -0.73 0.00 0.00 179.01 180.54 1xke h GLU 109 N 0.27 0.62 -0.12 1.92 5.08 -1.08 -2.19 114.58 119.08 1xke h GLU 109 Ca 0.01 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1xke h GLU 109 Cb 0.95 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1xke h GLU 109 CO 0.08 0.41 -0.65 0.74 -1.00 0.00 0.00 179.01 178.60 1xke h PHE 110 N 0.64 0.60 0.16 4.33 -1.00 -1.44 -2.42 116.94 117.80 1xke h PHE 110 Ca 0.25 -0.24 0.01 0.00 2.81 0.00 0.00 57.97 60.80 1xke h PHE 110 Cb 0.09 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 1xke h PHE 110 CO -0.07 0.97 -0.18 -0.22 -1.61 0.00 0.00 178.31 177.20 1xke h LYS 111 N 0.33 -0.37 -0.19 1.51 3.64 -0.58 0.40 116.57 121.31 1xke h LYS 111 Ca -0.01 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1xke h LYS 111 Cb 1.20 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 1xke h LYS 111 CO 0.11 -0.25 -0.03 1.96 -2.27 0.00 0.00 179.45 178.98 1xke h GLN 112 N -0.38 0.02 -0.79 1.90 1.08 -1.52 -1.83 115.11 113.59 1xke h GLN 112 Ca 0.01 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1xke h GLN 112 Cb 0.38 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 1xke h GLN 112 CO -0.07 0.01 0.47 -0.22 -0.95 0.00 0.00 178.83 178.08 1xke h LYS 113 N 0.02 1.07 0.26 1.46 3.64 -1.11 -1.71 116.57 120.21 1xke h LYS 113 Ca 0.09 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1xke h LYS 113 Cb 0.13 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1xke h LYS 113 CO -0.18 0.76 -0.13 0.74 -2.27 0.00 0.00 179.45 178.37 1xke h PHE 114 N 1.08 -0.33 -0.20 1.91 -1.00 0.41 0.35 116.94 119.17 1xke h PHE 114 Ca 0.28 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 61.02 1xke h PHE 114 Cb -0.03 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1xke h PHE 114 CO -0.00 -0.14 -0.02 1.05 -1.61 0.00 0.00 178.31 177.59 1xke h GLU 115 N -0.44 0.29 -0.06 1.51 4.11 -1.25 0.24 114.58 118.97 1xke h GLU 115 Ca -0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1xke h GLU 115 Cb 0.34 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xke h GLU 115 CO 0.06 0.33 0.01 1.49 0.07 0.00 0.00 179.01 180.97 1xke h GLU 116 N 0.28 0.09 -0.32 1.06 4.57 -0.77 -2.76 114.58 116.74 1xke h GLU 116 Ca 0.07 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1xke h GLU 116 Cb 0.22 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1xke h GLU 116 CO 0.01 0.33 0.22 0.00 -1.18 0.00 0.00 179.01 178.38 1xke h GLN 118 N 0.32 0.19 -0.00 0.00 4.20 -0.24 0.52 115.11 120.09 1xke h GLN 118 Ca 0.13 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1xke h GLN 118 Cb 0.14 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xke h GLN 118 CO -0.03 0.13 -0.00 0.00 -0.67 0.00 0.00 178.83 178.26 1xke h ARG 119 N 0.20 0.00 0.01 1.46 -0.00 -1.16 -2.53 114.38 112.36 1xke h ARG 119 Ca 0.20 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.62 1xke h ARG 119 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.22 1xke h ARG 119 CO -0.27 0.65 -0.23 -0.07 0.00 0.00 0.00 179.97 180.06 1xke h LEU 120 N -0.65 0.19 -2.44 3.04 4.07 -0.28 -3.36 115.31 115.89 1xke h LEU 120 Ca -0.00 -0.82 -0.01 0.00 0.08 0.00 0.00 57.88 57.14 1xke h LEU 120 Cb 0.65 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 1xke h LEU 120 CO 0.00 0.98 -0.03 -0.07 -1.08 0.00 0.00 178.44 178.24 1xke h LEU 121 N -0.59 0.00 -0.35 1.67 3.38 -0.17 -0.35 115.31 118.90 1xke h LEU 121 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1xke h LEU 121 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1xke h LEU 121 CO 0.04 0.03 -0.07 -0.07 0.09 0.00 0.00 178.44 178.46 1xke h LEU 122 N 0.00 0.67 0.00 1.67 3.38 -1.70 -3.36 115.31 115.96 1xke h LEU 122 Ca -0.00 -0.36 -0.32 0.00 0.09 0.00 0.00 57.88 57.29 1xke h LEU 122 Cb 0.14 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1xke h LEU 122 CO 0.00 0.87 -2.08 -0.67 0.09 0.00 0.00 178.44 176.65 1xke n ASP 123 N -4.42 0.37 -4.69 -0.43 2.03 -0.18 -4.58 116.55 104.65 1xke n ASP 123 Ca -0.02 0.17 -0.42 0.00 0.52 0.00 0.00 54.79 55.04 1xke n ASP 123 Cb 0.33 0.59 -0.03 0.00 -0.72 0.00 0.00 41.12 41.29 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 -2.58 3.72 0.15 5.18 -5.25 -0.99 -4.98 121.20 116.46 1xke s ILE 124 Ca -0.08 1.10 -0.30 0.00 -0.99 0.00 0.00 60.65 60.38 1xke s ILE 124 Cb 0.07 -3.71 -0.08 0.00 2.95 0.00 0.00 42.46 41.70 1xke s ILE 124 CO 0.83 -0.01 1.28 -2.84 -1.79 0.00 0.00 174.94 172.41 1xke s PRO 125 N 2.46 4.41 0.03 0.37 0.02 -1.26 -4.96 135.00 136.06 1xke s PRO 125 Ca 0.64 1.96 0.06 0.00 0.02 0.00 0.00 61.00 63.67 1xke s PRO 125 Cb -0.31 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 30.94 1xke s PRO 125 CO 0.26 -0.26 -0.17 -1.17 -0.33 0.00 0.00 177.00 175.34 1xke s LEU 126 N 0.38 2.14 0.00 -5.54 2.96 -1.26 -5.14 118.68 112.21 1xke s LEU 126 Ca 0.58 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1xke s LEU 126 Cb -0.34 -0.79 0.03 0.00 0.50 0.00 0.00 46.19 45.59 1xke s LEU 126 CO 0.34 0.12 0.22 0.00 -1.32 0.00 0.00 176.35 175.71 1xke n GLN 127 N 2.07 0.83 -2.59 1.98 6.02 -1.26 -4.98 117.38 119.45 1xke n GLN 127 Ca -0.17 -3.12 -0.42 0.00 -0.01 0.00 0.00 57.00 53.28 1xke n GLN 127 Cb 0.54 0.54 -0.03 0.00 1.02 0.00 0.00 30.24 32.31 1xke n GLN 127 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1xke s THR 128 N -2.48 4.54 0.62 5.09 2.01 -1.26 -5.00 115.64 119.16 1xke s THR 128 Ca 0.17 1.83 -0.16 0.00 0.31 0.00 0.00 61.69 63.83 1xke s THR 128 Cb -0.01 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1xke s THR 128 CO 0.11 0.07 1.11 -2.16 -0.69 0.00 0.00 174.62 173.06 1xke s PRO 129 N 1.58 2.98 0.00 4.92 0.04 -1.26 -5.24 135.00 138.01 1xke s PRO 129 Ca 0.53 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1xke s PRO 129 Cb -0.23 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1xke s PRO 129 CO 0.24 -1.12 0.06 1.17 0.04 0.00 0.00 177.00 177.39