#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xke s SER 2 N 0.00 3.61 0.00 1.61 0.01 -1.26 -4.79 113.70 112.88 1xke s SER 2 Ca 0.00 -2.18 0.00 0.00 1.31 0.00 0.00 55.95 55.08 1xke s SER 2 Cb 0.00 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.41 1xke s SER 2 CO 0.00 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1xke n GLY 3 N 4.11 1.14 1.03 3.44 0.00 -1.26 -4.96 105.19 108.69 1xke n GLY 3 Ca 0.06 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1xke n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xke n GLU 4 N -0.37 0.00 -3.56 1.61 2.13 -1.26 -5.05 120.64 114.14 1xke n GLU 4 Ca 0.00 -1.45 -0.13 0.00 0.66 0.00 0.00 57.16 56.24 1xke n GLU 4 Cb 0.14 -0.16 -0.06 0.00 0.27 0.00 0.00 31.44 31.63 1xke n GLU 4 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1xke s GLU 5 N 0.00 0.76 0.00 5.31 1.03 -1.26 -4.86 118.70 119.68 1xke s GLU 5 Ca 0.17 0.26 0.00 0.00 0.03 0.00 0.00 54.97 55.43 1xke s GLU 5 Cb 0.19 0.36 0.00 0.00 -0.80 0.00 0.00 34.13 33.88 1xke s GLU 5 CO -0.08 -0.22 0.00 -3.47 -1.33 0.00 0.00 175.26 170.15 1xke n ASP 6 N 1.00 0.00 -4.68 0.83 -0.08 -1.26 -5.00 116.55 107.36 1xke n ASP 6 Ca -0.14 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.80 1xke n ASP 6 Cb 0.57 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.94 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 -0.93 2.93 0.20 -0.67 1.03 -1.26 -0.64 118.70 119.37 1xke s GLU 7 Ca 0.00 -0.46 0.08 0.00 0.03 0.00 0.00 54.97 54.62 1xke s GLU 7 Cb 0.00 -2.76 -0.05 0.00 -0.80 0.00 0.00 34.13 30.53 1xke s GLU 7 CO 0.00 0.68 -0.16 -1.59 -1.33 0.00 0.00 175.26 172.87 1xke s LYS 8 N -1.03 1.35 -0.27 -4.83 -2.85 -0.26 -4.76 119.74 107.08 1xke s LYS 8 Ca 0.15 -1.57 -0.23 0.00 -1.00 0.00 0.00 55.97 53.32 1xke s LYS 8 Cb -0.11 -1.21 -0.01 0.00 -2.06 0.00 0.00 37.83 34.44 1xke s LYS 8 CO 0.04 0.21 0.75 0.08 0.10 0.00 0.00 175.35 176.53 1xke s VAL 9 N -2.76 4.87 -0.14 1.79 1.01 -1.24 -1.31 120.40 122.61 1xke s VAL 9 Ca 0.22 1.27 0.19 0.00 0.00 0.00 0.00 61.98 63.65 1xke s VAL 9 Cb -0.02 -4.07 -0.26 0.00 0.00 0.00 0.00 36.38 32.03 1xke s VAL 9 CO 0.07 -0.11 0.28 -0.11 0.00 0.00 0.00 175.10 175.23 1xke n LEU 10 N 5.99 0.13 -3.63 3.92 7.94 -1.09 -4.99 117.00 125.28 1xke n LEU 10 Ca 0.03 0.06 -0.14 0.00 -1.11 0.00 0.00 56.01 54.85 1xke n LEU 10 Cb 0.48 0.32 -0.07 0.00 0.53 0.00 0.00 43.42 44.68 1xke n LEU 10 CO 0.47 0.34 0.44 -0.72 -1.11 0.00 0.00 177.39 176.81 1xke s TYR 11 N -2.79 -0.76 -0.08 1.96 1.13 -1.26 -5.07 117.35 110.48 1xke s TYR 11 Ca -0.09 1.84 0.01 0.00 -1.41 0.00 0.00 57.07 57.43 1xke s TYR 11 Cb 0.08 0.28 0.02 0.00 -1.10 0.00 0.00 41.96 41.24 1xke s TYR 11 CO 0.85 -0.38 -0.10 -1.54 -2.51 0.00 0.00 175.55 171.86 1xke s SER 12 N 0.29 1.82 -0.01 -0.18 1.04 -1.25 -2.25 113.70 113.16 1xke s SER 12 Ca -0.00 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.01 1xke s SER 12 Cb -0.05 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.30 1xke s SER 12 CO 0.01 -0.02 0.28 -1.58 0.98 0.00 0.00 173.24 172.91 1xke s GLN 13 N 1.01 0.63 -0.15 4.02 0.74 0.11 -4.89 119.66 121.14 1xke s GLN 13 Ca -0.08 -0.22 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 1xke s GLN 13 Cb -0.15 0.28 -0.01 0.00 1.10 0.00 0.00 33.01 34.23 1xke s GLN 13 CO -0.00 -0.17 1.14 0.50 -0.55 0.00 0.00 175.29 176.21 1xke s ARG 14 N -1.31 4.30 0.38 1.67 3.52 -1.26 0.11 118.95 126.35 1xke s ARG 14 Ca -0.14 1.53 0.04 0.00 -0.13 0.00 0.00 55.73 57.03 1xke s ARG 14 Cb -0.06 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1xke s ARG 14 CO 0.04 -0.56 0.08 0.54 -0.81 0.00 0.00 175.30 174.58 1xke s VAL 15 N 2.89 1.00 -0.10 7.11 0.11 0.21 -4.77 120.40 126.85 1xke s VAL 15 Ca 0.51 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.55 1xke s VAL 15 Cb -0.20 -2.58 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 1xke s VAL 15 CO 0.14 0.00 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.31 1xke s LYS 16 N -3.82 3.13 0.01 1.54 1.02 0.10 -0.97 119.74 120.75 1xke s LYS 16 Ca 0.29 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.72 1xke s LYS 16 Cb 0.06 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1xke s LYS 16 CO 0.14 0.48 0.11 -1.17 -0.92 0.00 0.00 175.35 173.99 1xke s LEU 17 N -0.31 4.03 -0.02 3.17 2.96 -0.01 -2.29 118.68 126.21 1xke s LEU 17 Ca 0.04 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1xke s LEU 17 Cb -0.13 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.14 1xke s LEU 17 CO 0.02 0.25 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.88 1xke s PHE 18 N -1.27 0.76 0.06 5.38 0.40 0.30 0.11 117.98 123.72 1xke s PHE 18 Ca 0.26 -0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.47 1xke s PHE 18 Cb -0.12 -0.57 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 1xke s PHE 18 CO 0.17 -0.10 -0.17 0.50 0.70 0.00 0.00 175.22 176.32 1xke s ARG 19 N 0.32 1.04 -0.23 0.44 3.52 0.66 -0.81 118.95 123.89 1xke s ARG 19 Ca -0.04 -0.93 -0.29 0.00 -0.13 0.00 0.00 55.73 54.33 1xke s ARG 19 Cb -0.09 -1.13 -0.01 0.00 -1.56 0.00 0.00 34.95 32.16 1xke s ARG 19 CO 0.00 0.27 1.34 0.12 -0.81 0.00 0.00 175.30 176.22 1xke s PHE 20 N -1.01 2.65 -0.22 5.12 5.36 -0.96 -0.18 117.98 128.74 1xke s PHE 20 Ca 0.03 0.86 -0.21 0.00 -0.96 0.00 0.00 56.93 56.65 1xke s PHE 20 Cb -0.09 -3.76 -0.02 0.00 -0.34 0.00 0.00 43.02 38.80 1xke s PHE 20 CO 0.02 -1.92 0.64 0.34 -1.46 0.00 0.00 175.22 172.84 1xke s ASP 21 N 2.67 6.65 0.24 6.13 -1.08 0.23 -4.85 116.67 126.66 1xke s ASP 21 Ca 0.58 0.79 -0.02 0.00 -0.52 0.00 0.00 52.55 53.38 1xke s ASP 21 Cb -0.20 -2.35 0.28 0.00 -1.46 0.00 0.00 42.92 39.19 1xke s ASP 21 CO 0.21 -0.33 1.67 0.00 0.52 0.00 0.00 175.17 177.24 1xke h ALA 22 N 7.67 0.97 0.00 3.66 0.00 -1.92 0.59 119.26 130.23 1xke h ALA 22 Ca -0.29 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 1xke h ALA 22 Cb 1.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1xke h ALA 22 CO 0.78 0.60 -0.46 0.93 0.00 0.00 0.00 179.25 181.10 1xke h GLU 23 N 0.59 0.00 0.00 0.00 4.39 -1.95 -2.70 114.58 114.91 1xke h GLU 23 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1xke h GLU 23 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1xke h GLU 23 CO 0.05 0.31 -0.74 0.28 -1.16 0.00 0.00 179.01 177.75 1xke n VAL 24 N -3.13 0.01 -3.03 3.13 0.31 -1.12 -4.90 118.33 109.59 1xke n VAL 24 Ca 0.02 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.15 1xke n VAL 24 Cb 0.67 0.58 -0.00 0.00 -0.91 0.00 0.00 33.84 34.18 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 -1.52 -3.90 -3.82 4.52 7.64 0.17 -4.94 113.62 111.78 1xke n SER 25 Ca 0.05 -0.18 -0.12 0.00 1.01 0.00 0.00 58.87 59.63 1xke n SER 25 Cb 0.34 -3.25 -0.09 0.00 -1.01 0.00 0.00 64.21 60.20 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 -5.66 0.62 -0.58 1.43 0.74 0.10 -4.85 119.66 111.46 1xke s GLN 26 Ca 0.26 -0.40 -0.26 0.00 0.05 0.00 0.00 55.36 55.01 1xke s GLN 26 Cb -0.13 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.19 1xke s GLN 26 CO 0.32 -0.17 2.14 1.67 -0.55 0.00 0.00 175.29 178.71 1xke s TRP 27 N -1.73 1.37 -0.09 1.67 -2.14 -1.26 0.78 118.94 117.53 1xke s TRP 27 Ca -0.11 1.20 0.02 0.00 2.66 0.00 0.00 56.10 59.86 1xke s TRP 27 Cb -0.05 -3.82 -0.02 0.00 -3.10 0.00 0.00 33.47 26.48 1xke s TRP 27 CO 0.01 -2.35 -0.15 0.21 -2.66 0.00 0.00 176.95 172.01 1xke s LYS 28 N 7.70 3.00 0.14 3.25 2.47 0.75 -4.82 119.74 132.23 1xke s LYS 28 Ca 0.82 -0.71 -0.34 0.00 -1.56 0.00 0.00 55.97 54.18 1xke s LYS 28 Cb -0.14 -2.50 -0.14 0.00 -1.46 0.00 0.00 37.83 33.59 1xke s LYS 28 CO 0.22 0.37 1.57 -0.85 0.16 0.00 0.00 175.35 176.82 1xke n GLU 29 N 3.04 2.06 -0.06 4.03 0.28 -1.26 -0.25 120.64 128.48 1xke n GLU 29 Ca -0.18 0.74 -0.09 0.00 -0.16 0.00 0.00 57.16 57.47 1xke n GLU 29 Cb 0.52 -2.50 -0.15 0.00 1.43 0.00 0.00 31.44 30.74 1xke n GLU 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xke n ARG 30 N 3.49 0.66 0.00 3.44 5.12 0.31 -4.82 116.66 124.86 1xke n ARG 30 Ca 0.17 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 1xke n ARG 30 Cb 0.28 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 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 1.66 -0.53 3.34 -0.13 0.00 -1.15 -4.97 105.19 103.41 1xke n GLY 31 Ca -0.25 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 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 2.26 0.00 0.99 2.01 -1.26 -0.83 118.68 121.85 1xke s LEU 32 Ca 0.00 -1.19 0.00 0.00 0.01 0.00 0.00 54.13 52.95 1xke s LEU 32 Cb 0.00 -0.33 0.00 0.00 0.01 0.00 0.00 46.19 45.87 1xke s LEU 32 CO 0.00 -0.47 0.00 0.61 1.01 0.00 0.00 176.35 177.50 1xke n GLY 33 N -0.42 2.18 3.66 -3.19 0.00 -0.14 -4.07 105.19 103.22 1xke n GLY 33 Ca -0.06 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 6.87 -0.25 1.61 2.47 -0.87 0.64 114.94 125.42 1xke s ASN 34 Ca 0.00 1.06 -0.22 0.00 0.42 0.00 0.00 52.86 54.13 1xke s ASN 34 Cb 0.00 -2.42 -0.01 0.00 -1.45 0.00 0.00 41.25 37.36 1xke s ASN 34 CO 0.00 -0.37 0.71 -0.22 -3.72 0.00 0.00 177.10 173.50 1xke s LEU 35 N 2.13 4.07 -0.10 3.21 0.20 0.29 -3.02 118.68 125.47 1xke s LEU 35 Ca 0.35 0.82 -0.03 0.00 0.69 0.00 0.00 54.13 55.96 1xke s LEU 35 Cb -0.16 -2.98 -0.04 0.00 -0.43 0.00 0.00 46.19 42.58 1xke s LEU 35 CO 0.11 -0.43 0.04 -0.54 -0.29 0.00 0.00 176.35 175.24 1xke s LYS 36 N 2.64 3.16 -0.21 1.98 1.02 0.13 -0.71 119.74 127.75 1xke s LYS 36 Ca 0.29 -0.34 -0.05 0.00 0.02 0.00 0.00 55.97 55.89 1xke s LYS 36 Cb -0.15 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.23 1xke s LYS 36 CO 0.08 0.69 -0.01 0.42 -0.92 0.00 0.00 175.35 175.61 1xke s ILE 37 N -0.82 3.80 -0.14 2.17 -1.09 -0.95 -0.73 121.20 123.44 1xke s ILE 37 Ca 0.13 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.17 1xke s ILE 37 Cb -0.12 -2.73 -0.02 0.00 -1.58 0.00 0.00 42.46 38.01 1xke s ILE 37 CO 0.03 0.42 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.33 1xke s LEU 38 N 1.21 3.12 -0.15 2.97 1.43 -0.44 -2.67 118.68 124.15 1xke s LEU 38 Ca 0.03 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1xke s LEU 38 Cb -0.15 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.36 1xke s LEU 38 CO 0.01 0.20 -0.19 -0.54 0.23 0.00 0.00 176.35 176.06 1xke s LYS 39 N 0.16 2.77 0.43 1.70 1.02 -0.42 -0.41 119.74 124.99 1xke s LYS 39 Ca -0.03 -0.75 -0.25 0.00 0.02 0.00 0.00 55.97 54.95 1xke s LYS 39 Cb -0.14 -2.34 -0.08 0.00 -0.52 0.00 0.00 37.83 34.75 1xke s LYS 39 CO 0.03 -0.11 1.30 -0.80 -0.92 0.00 0.00 175.35 174.85 1xke s ASN 40 N 1.08 6.18 0.46 2.83 -0.87 -1.02 -1.10 114.94 122.51 1xke s ASN 40 Ca -0.02 2.63 0.26 0.00 -1.57 0.00 0.00 52.86 54.16 1xke s ASN 40 Cb -0.14 -2.63 1.03 0.00 -0.02 0.00 0.00 41.25 39.48 1xke s ASN 40 CO -0.06 -0.94 1.87 -0.33 -2.57 0.00 0.00 177.10 175.07 1xke h GLU 41 N 2.48 0.00 0.00 -0.60 4.39 -1.23 -0.02 114.58 119.60 1xke h GLU 41 Ca -0.50 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 1xke h GLU 41 Cb 1.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1xke h GLU 41 CO 0.62 0.19 -0.06 0.28 -1.16 0.00 0.00 179.01 178.88 1xke h VAL 42 N 0.00 0.10 -4.86 3.13 2.07 -1.91 -3.47 116.25 111.32 1xke h VAL 42 Ca -0.00 -1.04 -0.37 0.00 0.82 0.00 0.00 66.70 66.10 1xke h VAL 42 Cb 0.68 1.95 0.10 0.00 -1.52 0.00 0.00 31.29 32.50 1xke h VAL 42 CO 0.02 0.06 -0.60 -3.20 0.02 0.00 0.00 177.57 173.87 1xke n ASN 43 N -3.12 -5.94 -0.07 0.57 5.15 -0.02 -4.94 115.26 106.89 1xke n ASN 43 Ca 0.03 -0.39 -0.07 0.00 -0.60 0.00 0.00 54.58 53.55 1xke n ASN 43 Cb 0.51 -4.65 -0.05 0.00 -0.53 0.00 0.00 39.78 35.06 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 -1.95 0.00 -4.52 8.20 0.00 -1.91 -3.47 103.07 99.43 1xke h GLY 44 Ca -0.51 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.31 1xke h GLY 44 CO 0.52 0.00 -0.81 0.54 0.00 0.00 0.00 176.54 176.79 1xke s LYS 45 N -1.96 1.11 0.14 4.80 3.01 -1.26 -5.07 119.74 120.51 1xke s LYS 45 Ca -0.11 -0.91 0.11 0.00 -1.01 0.00 0.00 55.97 54.04 1xke s LYS 45 Cb 0.00 -1.20 -0.04 0.00 -1.01 0.00 0.00 37.83 35.59 1xke s LYS 45 CO 0.29 0.29 -0.25 -0.51 0.51 0.00 0.00 175.35 175.68 1xke s LEU 46 N -1.36 2.35 0.04 3.17 2.01 -1.26 -2.43 118.68 121.20 1xke s LEU 46 Ca 0.04 -0.77 -0.06 0.00 0.01 0.00 0.00 54.13 53.35 1xke s LEU 46 Cb -0.09 -1.15 -0.01 0.00 0.01 0.00 0.00 46.19 44.96 1xke s LEU 46 CO 0.02 0.14 0.11 0.00 1.01 0.00 0.00 176.35 177.63 1xke s ARG 47 N -2.21 0.62 -0.15 1.70 1.70 0.45 -2.99 118.95 118.07 1xke s ARG 47 Ca 0.15 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.65 1xke s ARG 47 Cb -0.09 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.56 1xke s ARG 47 CO 0.07 -0.16 -0.10 -1.64 -1.08 0.00 0.00 175.30 172.38 1xke s MET 48 N -2.70 1.91 0.08 3.89 -1.94 0.25 -1.33 119.30 119.47 1xke s MET 48 Ca -0.04 -0.52 0.04 0.00 -1.71 0.00 0.00 55.69 53.47 1xke s MET 48 Cb -0.01 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.80 1xke s MET 48 CO -0.05 -0.31 -0.12 -0.48 -0.01 0.00 0.00 175.02 174.05 1xke s LEU 49 N 1.55 2.32 -0.07 -0.03 0.05 0.09 0.22 118.68 122.82 1xke s LEU 49 Ca 0.03 -0.68 0.01 0.00 0.05 0.00 0.00 54.13 53.54 1xke s LEU 49 Cb -0.14 -0.42 0.02 0.00 -2.05 0.00 0.00 46.19 43.60 1xke s LEU 49 CO -0.09 -0.15 -0.06 0.00 -0.55 0.00 0.00 176.35 175.50 1xke s MET 50 N -2.09 1.16 -0.05 1.48 0.23 -1.00 0.20 119.30 119.23 1xke s MET 50 Ca 0.00 -0.18 0.03 0.00 -1.03 0.00 0.00 55.69 54.51 1xke s MET 50 Cb -0.08 -1.17 -0.03 0.00 -1.53 0.00 0.00 34.83 32.03 1xke s MET 50 CO 0.02 -0.14 -0.11 0.50 -2.03 0.00 0.00 175.02 173.27 1xke s ARG 51 N 1.22 2.59 -0.21 3.16 3.00 -1.17 -0.05 118.95 127.49 1xke s ARG 51 Ca -0.06 -0.65 -0.26 0.00 -1.00 0.00 0.00 55.73 53.77 1xke s ARG 51 Cb -0.14 -2.47 -0.01 0.00 0.00 0.00 0.00 34.95 32.33 1xke s ARG 51 CO -0.02 0.63 0.86 1.03 0.00 0.00 0.00 175.30 177.81 1xke s ARG 52 N -0.88 4.24 0.07 5.12 0.52 -0.79 -2.04 118.95 125.19 1xke s ARG 52 Ca 0.13 1.04 -0.27 0.00 -0.52 0.00 0.00 55.73 56.10 1xke s ARG 52 Cb -0.11 -3.61 -0.13 0.00 0.52 0.00 0.00 34.95 31.62 1xke s ARG 52 CO 0.02 -0.45 1.42 0.93 0.02 0.00 0.00 175.30 177.24 1xke h GLU 53 N 7.50 -0.69 0.00 3.54 4.39 -1.91 0.48 114.58 127.90 1xke h GLU 53 Ca -0.25 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1xke h GLU 53 Cb 1.10 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1xke h GLU 53 CO 0.87 -0.46 -0.21 1.96 -1.16 0.00 0.00 179.01 180.01 1xke h GLN 54 N -0.72 0.00 -0.00 2.33 4.20 -1.93 -2.98 115.11 116.00 1xke h GLN 54 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1xke h GLN 54 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1xke h GLN 54 CO -0.10 0.00 -0.10 0.28 -0.67 0.00 0.00 178.83 178.24 1xke n VAL 55 N -2.52 0.00 -0.69 -0.54 0.31 -0.75 -4.91 118.33 109.22 1xke n VAL 55 Ca 0.04 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.28 1xke n VAL 55 Cb 0.47 -0.03 -0.01 0.00 -0.91 0.00 0.00 33.84 33.36 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 -0.83 0.46 -3.91 7.52 7.94 0.16 -4.87 117.00 123.47 1xke n LEU 56 Ca 0.15 0.03 -0.30 0.00 -1.11 0.00 0.00 56.01 54.78 1xke n LEU 56 Cb 0.28 -1.76 -0.15 0.00 0.53 0.00 0.00 43.42 42.32 1xke n LEU 56 CO 0.23 -0.62 -0.37 -0.75 -1.11 0.00 0.00 177.39 174.77 1xke s LYS 57 N -1.42 1.32 -0.45 1.96 2.20 -1.10 -4.82 119.74 117.44 1xke s LYS 57 Ca 0.00 -1.31 -0.46 0.00 -0.36 0.00 0.00 55.97 53.84 1xke s LYS 57 Cb 0.00 -2.63 -0.20 0.00 -1.51 0.00 0.00 37.83 33.50 1xke s LYS 57 CO 0.00 -0.82 1.53 1.55 -0.36 0.00 0.00 175.35 177.24 1xke n VAL 58 N 4.58 0.00 -0.03 4.02 3.14 -1.26 -1.88 118.33 126.90 1xke n VAL 58 Ca -0.04 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1xke n VAL 58 Cb 0.43 -0.45 -0.07 0.00 -1.06 0.00 0.00 33.84 32.69 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 -2.42 -0.15 -0.31 0.00 0.00 -1.22 -4.32 121.76 113.35 1xke s ALA 60 Ca -0.04 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1xke s ALA 60 Cb 0.04 -0.17 0.09 0.00 0.00 0.00 0.00 23.12 23.09 1xke s ALA 60 CO 0.39 -0.06 0.04 1.21 0.00 0.00 0.00 175.76 177.34 1xke s ASN 61 N 0.30 4.38 -0.23 0.00 2.47 -1.26 -2.38 114.94 118.22 1xke s ASN 61 Ca -0.02 -1.81 -0.10 0.00 0.42 0.00 0.00 52.86 51.35 1xke s ASN 61 Cb -0.03 -1.32 -0.05 0.00 -1.45 0.00 0.00 41.25 38.41 1xke s ASN 61 CO -0.01 -0.36 0.13 -2.28 -3.72 0.00 0.00 177.10 170.86 1xke s HIS 62 N 1.21 3.28 -0.04 0.43 5.65 0.13 -3.89 115.29 122.06 1xke s HIS 62 Ca 0.07 0.13 -0.26 0.00 0.25 0.00 0.00 55.06 55.25 1xke s HIS 62 Cb -0.18 -2.23 -0.04 0.00 -1.18 0.00 0.00 32.58 28.95 1xke s HIS 62 CO -0.13 0.03 0.80 -1.58 -0.65 0.00 0.00 174.74 173.21 1xke s TRP 63 N 1.01 3.62 -0.43 3.88 0.52 -1.26 0.86 118.94 127.14 1xke s TRP 63 Ca 0.07 1.41 -0.20 0.00 0.02 0.00 0.00 56.10 57.40 1xke s TRP 63 Cb -0.14 -2.91 0.02 0.00 -1.15 0.00 0.00 33.47 29.30 1xke s TRP 63 CO 0.04 0.07 0.59 -1.50 0.02 0.00 0.00 176.95 176.17 1xke s ILE 64 N 0.80 4.90 0.06 2.03 -1.16 -1.16 -4.94 121.20 121.72 1xke s ILE 64 Ca 0.42 0.03 -0.04 0.00 -0.51 0.00 0.00 60.65 60.55 1xke s ILE 64 Cb -0.19 -4.15 -0.02 0.00 0.61 0.00 0.00 42.46 38.70 1xke s ILE 64 CO 0.22 -0.53 0.06 0.28 -2.81 0.00 0.00 174.94 172.15 1xke s THR 65 N 2.64 0.18 -1.52 4.00 -1.32 -1.26 -4.73 115.64 113.63 1xke s THR 65 Ca 0.20 -1.46 0.25 0.00 -1.21 0.00 0.00 61.69 59.48 1xke s THR 65 Cb -0.15 -1.30 0.49 0.00 -1.51 0.00 0.00 72.50 70.03 1xke s THR 65 CO 0.17 -0.81 1.85 0.35 -2.21 0.00 0.00 174.62 173.98 1xke n THR 66 N 0.24 0.17 1.20 5.08 -2.24 -1.26 -2.41 114.28 115.07 1xke n THR 66 Ca -0.16 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1xke n THR 66 Cb 0.61 -0.63 0.61 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.24 0.00 -4.35 4.28 -1.04 -1.26 -4.71 114.28 105.95 1xke n THR 67 Ca 0.13 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.95 1xke n THR 67 Cb 0.18 -0.33 -0.10 0.00 -1.82 0.00 0.00 70.33 68.26 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 -2.78 1.38 -0.02 -2.82 -2.45 -1.01 -5.12 119.30 106.49 1xke s MET 68 Ca 0.21 -1.69 0.01 0.00 -1.25 0.00 0.00 55.69 52.96 1xke s MET 68 Cb 0.19 -0.78 0.01 0.00 1.25 0.00 0.00 34.83 35.51 1xke s MET 68 CO 0.52 -0.04 -0.01 1.21 1.05 0.00 0.00 175.02 177.75 1xke s ASN 69 N -3.34 0.34 -0.02 1.11 2.47 -1.26 -4.83 114.94 109.41 1xke s ASN 69 Ca 0.28 -0.03 -0.20 0.00 0.42 0.00 0.00 52.86 53.32 1xke s ASN 69 Cb 0.05 -0.12 -0.05 0.00 -1.45 0.00 0.00 41.25 39.67 1xke s ASN 69 CO 0.09 -0.04 0.59 -1.48 -3.72 0.00 0.00 177.10 172.54 1xke s LEU 70 N 0.50 4.40 -0.06 3.21 0.05 -1.26 -4.23 118.68 121.29 1xke s LEU 70 Ca -0.05 1.13 0.05 0.00 0.05 0.00 0.00 54.13 55.31 1xke s LEU 70 Cb -0.08 -2.91 -0.00 0.00 -2.05 0.00 0.00 46.19 41.15 1xke s LEU 70 CO -0.01 0.08 -0.21 -0.75 -0.55 0.00 0.00 176.35 174.91 1xke s LYS 71 N -0.04 2.31 0.05 1.48 2.47 0.12 -4.90 119.74 121.23 1xke s LYS 71 Ca 0.31 -0.76 -0.30 0.00 -1.56 0.00 0.00 55.97 53.66 1xke s LYS 71 Cb -0.18 -1.91 -0.04 0.00 -1.46 0.00 0.00 37.83 34.24 1xke s LYS 71 CO 0.17 0.26 0.97 -2.14 0.16 0.00 0.00 175.35 174.77 1xke s PRO 72 N 0.07 4.62 0.56 4.03 0.02 -1.26 -0.02 135.00 143.02 1xke s PRO 72 Ca -0.08 1.43 -0.04 0.00 0.02 0.00 0.00 61.00 62.33 1xke s PRO 72 Cb -0.14 -3.42 0.12 0.00 0.02 0.00 0.00 34.50 31.08 1xke s PRO 72 CO 0.04 0.07 0.76 1.47 -0.33 0.00 0.00 177.00 179.01 1xke n LEU 73 N 3.40 0.00 -4.82 -5.54 -0.00 -1.25 -4.96 117.00 103.83 1xke n LEU 73 Ca 0.04 -1.28 -0.36 0.00 -0.00 0.00 0.00 56.01 54.40 1xke n LEU 73 Cb 0.50 -0.53 -0.06 0.00 -0.00 0.00 0.00 43.42 43.33 1xke n LEU 73 CO 0.52 -0.94 0.37 -0.44 -0.00 0.00 0.00 177.39 176.90 1xke s SER 74 N -3.96 7.03 0.00 1.45 0.01 -1.26 -4.18 113.70 112.78 1xke s SER 74 Ca 0.47 1.35 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1xke s SER 74 Cb -0.02 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1xke s SER 74 CO 0.32 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1xke n GLY 75 N 0.88 2.25 3.78 3.44 0.00 -1.26 -4.97 105.19 109.31 1xke n GLY 75 Ca -0.04 0.00 -0.37 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 -3.60 7.24 -0.11 1.61 1.04 -1.26 -4.94 113.70 113.68 1xke s SER 76 Ca 0.00 1.91 -0.25 0.00 0.48 0.00 0.00 55.95 58.08 1xke s SER 76 Cb 0.00 -2.58 -0.27 0.00 0.10 0.00 0.00 66.02 63.26 1xke s SER 76 CO 0.00 -0.14 0.75 -2.24 0.98 0.00 0.00 173.24 172.59 1xke h ASP 77 N 3.13 0.17 0.00 7.02 3.04 -1.94 -3.43 116.42 124.41 1xke h ASP 77 Ca -0.47 -0.94 -0.14 0.00 -3.24 0.00 0.00 57.03 52.25 1xke h ASP 77 Cb 1.20 -0.06 -0.11 0.00 -1.04 0.00 0.00 39.33 39.32 1xke h ASP 77 CO 0.65 1.21 -0.04 -1.14 -2.04 0.00 0.00 179.24 177.87 1xke n ARG 78 N -4.40 0.61 -4.32 4.15 3.00 -1.26 -4.84 116.66 109.60 1xke n ARG 78 Ca -0.14 -1.12 -0.34 0.00 -0.00 0.00 0.00 57.85 56.24 1xke n ARG 78 Cb 0.63 -0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.99 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 0.10 3.19 0.16 5.13 0.00 -1.26 -4.11 121.76 124.97 1xke s ALA 79 Ca 0.11 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1xke s ALA 79 Cb 0.20 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 1xke s ALA 79 CO -0.05 0.37 -0.07 -1.58 0.00 0.00 0.00 175.76 174.44 1xke s TRP 80 N -0.19 1.29 0.06 0.00 0.51 -1.24 -3.96 118.94 115.41 1xke s TRP 80 Ca 0.05 -0.84 0.08 0.00 -2.12 0.00 0.00 56.10 53.27 1xke s TRP 80 Cb -0.13 -0.69 -0.03 0.00 -0.81 0.00 0.00 33.47 31.82 1xke s TRP 80 CO 0.02 0.00 -0.22 0.00 -0.51 0.00 0.00 176.95 176.24 1xke s MET 81 N -3.80 1.42 0.05 4.98 0.23 0.97 -2.44 119.30 120.71 1xke s MET 81 Ca 0.19 -1.02 0.03 0.00 -1.03 0.00 0.00 55.69 53.87 1xke s MET 81 Cb 0.04 -1.58 -0.03 0.00 -1.53 0.00 0.00 34.83 31.73 1xke s MET 81 CO 0.02 0.40 -0.09 1.67 -2.03 0.00 0.00 175.02 174.99 1xke s TRP 82 N -0.86 0.78 -0.19 3.16 -2.14 0.84 0.15 118.94 120.67 1xke s TRP 82 Ca 0.08 -0.51 -0.08 0.00 2.66 0.00 0.00 56.10 58.25 1xke s TRP 82 Cb -0.09 -0.46 -0.04 0.00 -3.10 0.00 0.00 33.47 29.78 1xke s TRP 82 CO 0.02 -0.06 0.09 -0.48 -2.66 0.00 0.00 176.95 173.86 1xke s LEU 83 N -1.67 3.97 0.10 -4.66 0.05 -1.26 -0.97 118.68 114.23 1xke s LEU 83 Ca -0.08 0.14 -0.05 0.00 0.05 0.00 0.00 54.13 54.19 1xke s LEU 83 Cb -0.09 -2.01 -0.02 0.00 -2.05 0.00 0.00 46.19 42.01 1xke s LEU 83 CO 0.01 0.18 0.13 0.00 -0.55 0.00 0.00 176.35 176.11 1xke s ALA 84 N 0.37 0.19 -0.60 1.48 0.00 0.56 -4.86 121.76 118.89 1xke s ALA 84 Ca 0.05 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 1xke s ALA 84 Cb -0.12 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.62 1xke s ALA 84 CO -0.01 -0.50 0.96 -1.54 0.00 0.00 0.00 175.76 174.68 1xke s SER 85 N -2.93 6.26 -0.16 0.00 1.04 -1.25 -0.61 113.70 116.05 1xke s SER 85 Ca 0.11 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.93 1xke s SER 85 Cb 0.06 -2.43 0.02 0.00 0.10 0.00 0.00 66.02 63.76 1xke s SER 85 CO -0.07 -1.34 -0.20 -0.62 0.98 0.00 0.00 173.24 172.00 1xke s ASP 86 N 3.21 3.04 0.00 7.02 2.15 0.24 -4.60 116.67 127.73 1xke s ASP 86 Ca 0.27 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1xke s ASP 86 Cb -0.14 -1.42 0.00 0.00 -0.30 0.00 0.00 42.92 41.06 1xke s ASP 86 CO 0.15 0.02 0.00 0.33 -0.17 0.00 0.00 175.17 175.50 1xke n PHE 87 N 4.44 0.00 0.02 -5.34 -0.00 -1.26 -1.86 117.46 113.46 1xke n PHE 87 Ca -0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.13 1xke n PHE 87 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.99 1xke n PHE 87 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1xke h SER 88 N 0.00 0.63 0.00 -2.13 0.87 -1.85 0.14 113.55 111.21 1xke h SER 88 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1xke h SER 88 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1xke h SER 88 CO 0.00 1.15 -1.02 -0.67 -0.53 0.00 0.00 176.83 175.76 1xke n ASP 89 N -3.88 1.12 0.00 6.23 -0.08 -1.26 -4.19 116.55 114.49 1xke n ASP 89 Ca -0.05 -0.49 0.00 0.00 -1.51 0.00 0.00 54.79 52.74 1xke n ASP 89 Cb 0.70 1.25 0.00 0.00 2.34 0.00 0.00 41.12 45.41 1xke n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xke n GLY 90 N 1.48 -0.63 0.00 0.27 0.00 -1.24 -5.10 105.19 99.96 1xke n GLY 90 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.04 -1.38 -4.63 1.61 2.03 0.45 -4.91 116.55 109.68 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 0.09 0.91 -0.02 0.00 -0.72 0.00 0.00 41.12 41.38 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 -1.40 3.36 0.28 -1.67 0.00 -0.87 -4.24 121.76 117.22 1xke s ALA 92 Ca 0.00 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1xke s ALA 92 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 1xke s ALA 92 CO 0.00 -1.78 0.28 0.21 0.00 0.00 0.00 175.76 174.48 1xke s LYS 93 N 4.26 2.98 -0.24 0.00 2.20 -0.78 -4.69 119.74 123.48 1xke s LYS 93 Ca 0.60 -1.06 -0.09 0.00 -0.36 0.00 0.00 55.97 55.05 1xke s LYS 93 Cb -0.19 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1xke s LYS 93 CO 0.24 0.28 0.13 -0.48 -0.36 0.00 0.00 175.35 175.17 1xke s LEU 94 N -3.95 3.94 0.10 5.43 2.34 -1.26 0.81 118.68 126.10 1xke s LEU 94 Ca 0.37 0.04 -0.03 0.00 0.06 0.00 0.00 54.13 54.57 1xke s LEU 94 Cb -0.08 -2.05 -0.03 0.00 -0.56 0.00 0.00 46.19 43.47 1xke s LEU 94 CO 0.27 0.05 0.08 -1.61 -1.06 0.00 0.00 176.35 174.08 1xke s GLU 95 N 1.11 0.85 -0.32 1.48 0.41 0.22 -4.95 118.70 117.49 1xke s GLU 95 Ca 0.06 -1.27 -0.10 0.00 -0.41 0.00 0.00 54.97 53.26 1xke s GLU 95 Cb -0.14 0.26 -0.00 0.00 -1.78 0.00 0.00 34.13 32.47 1xke s GLU 95 CO 0.04 -0.24 0.16 -0.65 -0.49 0.00 0.00 175.26 174.09 1xke s GLN 96 N -3.97 3.25 0.27 1.61 -0.21 -1.26 -0.32 119.66 119.03 1xke s GLN 96 Ca 0.15 -0.78 0.12 0.00 0.02 0.00 0.00 55.36 54.87 1xke s GLN 96 Cb 0.07 -3.59 -0.05 0.00 1.00 0.00 0.00 33.01 30.44 1xke s GLN 96 CO -0.04 -0.46 -0.20 -0.48 -2.12 0.00 0.00 175.29 171.99 1xke s LEU 97 N 1.60 2.60 0.13 2.90 2.34 -0.15 -2.27 118.68 125.84 1xke s LEU 97 Ca 0.04 -1.01 0.03 0.00 0.06 0.00 0.00 54.13 53.25 1xke s LEU 97 Cb -0.17 -1.13 -0.04 0.00 -0.56 0.00 0.00 46.19 44.29 1xke s LEU 97 CO 0.06 0.04 -0.06 0.00 -1.06 0.00 0.00 176.35 175.33 1xke s ALA 98 N -2.45 1.20 -0.10 1.48 0.00 0.01 -0.11 121.76 121.79 1xke s ALA 98 Ca 0.29 -1.44 -0.07 0.00 0.00 0.00 0.00 51.96 50.75 1xke s ALA 98 Cb -0.05 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.31 1xke s ALA 98 CO 0.15 -0.21 0.24 0.00 0.00 0.00 0.00 175.76 175.94 1xke s ALA 99 N -3.54 -0.56 0.04 0.00 0.00 -1.02 -0.53 121.76 116.15 1xke s ALA 99 Ca 0.16 0.83 0.09 0.00 0.00 0.00 0.00 51.96 53.03 1xke s ALA 99 Cb 0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1xke s ALA 99 CO -0.01 -0.15 -0.24 0.21 0.00 0.00 0.00 175.76 175.56 1xke s LYS 100 N 0.71 1.66 0.25 0.00 2.20 -0.97 -3.59 119.74 120.01 1xke s LYS 100 Ca -0.05 -1.05 0.08 0.00 -0.36 0.00 0.00 55.97 54.59 1xke s LYS 100 Cb -0.06 -1.82 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 1xke s LYS 100 CO -0.04 0.47 0.13 -0.06 -0.36 0.00 0.00 175.35 175.49 1xke s PHE 101 N -0.80 2.98 0.16 4.03 0.40 -1.26 -0.72 117.98 122.77 1xke s PHE 101 Ca 0.10 -0.15 -0.27 0.00 -0.60 0.00 0.00 56.93 56.02 1xke s PHE 101 Cb -0.10 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 1xke s PHE 101 CO 0.02 0.55 1.44 1.63 0.70 0.00 0.00 175.22 179.57 1xke n LYS 102 N -1.07 -0.38 -4.32 0.44 5.02 -1.26 -4.55 118.16 112.05 1xke n LYS 102 Ca -0.07 1.42 -0.17 0.00 -2.02 0.00 0.00 58.31 57.47 1xke n LYS 102 Cb 0.58 -2.09 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 1xke n LYS 102 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xke s THR 103 N -5.55 0.92 -1.16 -0.18 -4.23 -1.26 -4.99 115.64 99.19 1xke s THR 103 Ca -0.12 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 1xke s THR 103 Cb 0.12 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.61 1xke s THR 103 CO 0.60 -0.30 0.94 -2.65 -0.54 0.00 0.00 174.62 172.67 1xke n PRO 104 N -0.40 0.00 0.09 3.99 -0.02 -1.26 0.05 135.00 137.45 1xke n PRO 104 Ca -0.05 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.73 1xke n PRO 104 Cb 0.64 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.27 -0.08 -0.52 4.81 -1.95 0.45 114.58 117.02 1xke h GLU 105 Ca 0.00 0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.00 1xke h GLU 105 Cb 0.01 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1xke h GLU 105 CO 0.00 0.11 -0.91 -0.07 -0.73 0.00 0.00 179.01 177.42 1xke h LEU 106 N -0.83 0.92 -0.11 1.64 -0.00 -1.52 -0.59 115.31 114.82 1xke h LEU 106 Ca -0.03 -0.67 -0.03 0.00 -0.00 0.00 0.00 57.88 57.16 1xke h LEU 106 Cb 0.51 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1xke h LEU 106 CO 0.05 1.47 -0.03 0.00 -0.00 0.00 0.00 178.44 179.92 1xke h ALA 107 N 0.50 0.16 -0.02 1.53 0.00 -0.49 -2.75 119.26 118.19 1xke h ALA 107 Ca -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1xke h ALA 107 Cb 1.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1xke h ALA 107 CO 0.18 -0.10 -0.05 1.49 0.00 0.00 0.00 179.25 180.77 1xke h GLU 108 N -0.10 0.07 -0.77 0.00 4.81 0.01 -2.52 114.58 116.08 1xke h GLU 108 Ca 0.03 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1xke h GLU 108 Cb 0.46 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1xke h GLU 108 CO 0.01 0.66 0.46 0.93 -0.73 0.00 0.00 179.01 180.34 1xke h GLU 109 N -0.51 0.81 -0.16 1.92 4.39 -1.20 -1.71 114.58 118.12 1xke h GLU 109 Ca -0.00 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 1xke h GLU 109 Cb 0.66 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1xke h GLU 109 CO 0.01 0.54 -0.61 0.74 -1.16 0.00 0.00 179.01 178.52 1xke h PHE 110 N 0.84 0.69 -0.64 4.33 0.04 -1.55 -2.56 116.94 118.08 1xke h PHE 110 Ca 0.34 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 1xke h PHE 110 Cb 0.19 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1xke h PHE 110 CO -0.05 1.01 0.25 0.87 -0.60 0.00 0.00 178.31 179.79 1xke h LYS 111 N 0.40 0.96 -0.19 1.51 1.79 -0.86 0.53 116.57 120.71 1xke h LYS 111 Ca -0.01 -0.18 0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1xke h LYS 111 Cb 1.17 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 1xke h LYS 111 CO 0.11 0.82 0.06 1.96 -1.08 0.00 0.00 179.45 181.32 1xke h GLN 112 N 0.91 0.15 -0.48 3.15 1.08 -1.48 -1.78 115.11 116.65 1xke h GLN 112 Ca 0.21 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1xke h GLN 112 Cb 0.22 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1xke h GLN 112 CO -0.02 0.10 0.30 -0.22 -0.95 0.00 0.00 178.83 178.04 1xke h LYS 113 N 0.15 0.64 0.12 1.46 3.11 -0.97 0.56 116.57 121.65 1xke h LYS 113 Ca 0.08 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1xke h LYS 113 Cb 0.06 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1xke h LYS 113 CO -0.09 0.45 -0.06 0.74 -2.81 0.00 0.00 179.45 177.68 1xke h PHE 114 N 0.66 -0.15 0.00 1.91 0.04 -0.19 -1.52 116.94 117.68 1xke h PHE 114 Ca 0.17 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.87 1xke h PHE 114 Cb -0.04 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1xke h PHE 114 CO 0.00 0.33 -0.36 1.05 -0.60 0.00 0.00 178.31 178.73 1xke h GLU 115 N -0.74 0.00 0.14 1.51 -0.00 -1.22 -0.77 114.58 113.50 1xke h GLU 115 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1xke h GLU 115 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.29 1xke h GLU 115 CO 0.03 0.36 -0.09 1.49 -0.00 0.00 0.00 179.01 180.79 1xke h GLU 116 N 0.00 -0.22 -0.46 1.06 4.57 -0.87 -2.29 114.58 116.37 1xke h GLU 116 Ca -0.00 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1xke h GLU 116 Cb 0.65 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1xke h GLU 116 CO 0.05 -0.15 0.31 0.00 -1.18 0.00 0.00 179.01 178.04 1xke h GLN 118 N 0.55 0.07 -0.08 0.00 4.20 -0.59 0.51 115.11 119.78 1xke h GLN 118 Ca 0.18 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 1xke h GLN 118 Cb 0.05 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1xke h GLN 118 CO -0.04 0.05 -0.16 0.00 -0.67 0.00 0.00 178.83 178.00 1xke h ARG 119 N 0.08 0.25 -0.02 1.46 -0.00 -1.09 -3.35 114.38 111.69 1xke h ARG 119 Ca 0.11 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.98 59.31 1xke h ARG 119 Cb 0.14 0.02 0.01 0.00 0.00 0.00 0.00 29.97 30.14 1xke h ARG 119 CO -0.19 0.76 -0.44 -0.07 0.00 0.00 0.00 179.97 180.02 1xke h LEU 120 N -0.23 0.43 -2.69 3.04 4.07 -0.24 -3.36 115.31 116.32 1xke h LEU 120 Ca 0.00 -0.73 -0.00 0.00 0.08 0.00 0.00 57.88 57.23 1xke h LEU 120 Cb 0.75 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 1xke h LEU 120 CO 0.04 1.10 -0.01 0.25 -1.08 0.00 0.00 178.44 178.74 1xke h LEU 121 N -0.21 0.00 -0.55 1.67 7.12 -0.17 -2.46 115.31 120.72 1xke h LEU 121 Ca -0.05 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.92 1xke h LEU 121 Cb 1.15 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 1xke h LEU 121 CO 0.09 0.01 0.17 -0.07 -0.13 0.00 0.00 178.44 178.51 1xke h LEU 122 N 0.00 0.80 0.00 2.25 3.38 -1.73 -3.31 115.31 116.70 1xke h LEU 122 Ca -0.00 -0.21 -0.34 0.00 0.09 0.00 0.00 57.88 57.43 1xke h LEU 122 Cb 0.06 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 1xke h LEU 122 CO 0.00 0.79 -2.26 -0.67 0.09 0.00 0.00 178.44 176.39 1xke n ASP 123 N -4.45 0.94 -4.77 -0.43 -0.08 -0.93 -5.00 116.55 101.83 1xke n ASP 123 Ca 0.02 -0.03 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 1xke n ASP 123 Cb 0.20 0.62 -0.02 0.00 2.34 0.00 0.00 41.12 44.27 1xke n ASP 123 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1xke s ILE 124 N -2.44 3.17 0.17 5.18 -5.25 -1.19 -4.97 121.20 115.86 1xke s ILE 124 Ca -0.14 0.92 -0.30 0.00 -0.99 0.00 0.00 60.65 60.14 1xke s ILE 124 Cb 0.06 -3.49 -0.08 0.00 2.95 0.00 0.00 42.46 41.89 1xke s ILE 124 CO 0.69 0.03 1.31 -2.84 -1.79 0.00 0.00 174.94 172.35 1xke s PRO 125 N -2.50 4.38 0.59 0.37 0.02 -1.26 -4.96 135.00 131.64 1xke s PRO 125 Ca 0.60 2.03 -0.06 0.00 0.02 0.00 0.00 61.00 63.59 1xke s PRO 125 Cb -0.29 -3.21 0.01 0.00 0.02 0.00 0.00 34.50 31.02 1xke s PRO 125 CO 0.36 -0.28 0.91 -0.51 -0.33 0.00 0.00 177.00 177.14 1xke s LEU 126 N 0.17 3.24 -1.44 -5.54 1.43 -1.26 -4.94 118.68 110.34 1xke s LEU 126 Ca 0.58 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.33 1xke s LEU 126 Cb -0.36 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.31 1xke s LEU 126 CO 0.36 -1.04 2.35 0.00 0.23 0.00 0.00 176.35 178.24 1xke n GLN 127 N -2.59 3.43 -3.22 1.70 1.13 -1.26 -4.90 117.38 111.67 1xke n GLN 127 Ca 0.04 -2.81 -0.39 0.00 -1.94 0.00 0.00 57.00 51.90 1xke n GLN 127 Cb 0.57 -3.02 -0.06 0.00 0.11 0.00 0.00 30.24 27.85 1xke n GLN 127 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1xke s THR 128 N 1.82 5.10 0.28 5.09 2.01 -1.26 -5.03 115.64 123.66 1xke s THR 128 Ca 0.52 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 1xke s THR 128 Cb 0.15 -3.87 -0.12 0.00 0.01 0.00 0.00 72.50 68.66 1xke s THR 128 CO -0.06 0.20 1.63 -2.16 -0.69 0.00 0.00 174.62 173.54 1xke s PRO 129 N 1.39 4.11 0.00 4.92 0.04 -1.26 -5.23 135.00 138.97 1xke s PRO 129 Ca 0.27 2.60 0.06 0.00 0.04 0.00 0.00 61.00 63.97 1xke s PRO 129 Cb -0.16 -3.03 0.05 0.00 0.04 0.00 0.00 34.50 31.41 1xke s PRO 129 CO 0.11 -0.67 0.69 1.17 0.04 0.00 0.00 177.00 178.33