#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 -4.49 1.61 7.64 -1.26 -4.50 113.62 112.63 1xke n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1xke n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1xke n SER 2 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xke s GLY 3 N 0.00 2.02 -0.68 0.23 0.00 -1.26 -4.80 107.32 102.82 1xke s GLY 3 Ca 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 44.72 41.72 1xke s GLY 3 CO 0.00 2.22 1.93 1.18 0.00 0.00 0.00 173.10 178.43 1xke n GLU 4 N 6.71 2.81 -3.16 2.90 -0.58 -1.26 -4.87 120.64 123.19 1xke n GLU 4 Ca 0.34 -3.47 -0.10 0.00 -0.42 0.00 0.00 57.16 53.51 1xke n GLU 4 Cb 0.46 -2.28 -0.04 0.00 -0.57 0.00 0.00 31.44 29.01 1xke n GLU 4 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1xke n GLU 5 N -0.77 0.26 -0.56 3.49 0.00 -1.26 -4.92 120.64 116.88 1xke n GLU 5 Ca 0.58 -1.77 0.00 0.00 0.00 0.00 0.00 57.16 55.97 1xke n GLU 5 Cb 0.56 1.51 0.00 0.00 0.00 0.00 0.00 31.44 33.50 1xke n GLU 5 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1xke n ASP 6 N -2.18 0.00 -4.49 -1.84 -0.08 -1.26 -5.01 116.55 101.69 1xke n ASP 6 Ca 0.03 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.99 1xke n ASP 6 Cb 0.33 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.66 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 -0.41 2.52 0.27 -0.67 1.03 -1.26 0.48 118.70 120.66 1xke s GLU 7 Ca 0.00 -0.68 0.09 0.00 0.03 0.00 0.00 54.97 54.41 1xke s GLU 7 Cb 0.00 -2.41 -0.05 0.00 -0.80 0.00 0.00 34.13 30.87 1xke s GLU 7 CO 0.00 0.63 -0.14 -1.59 -1.33 0.00 0.00 175.26 172.83 1xke s LYS 8 N -0.78 1.58 -0.12 -4.83 -2.85 0.40 -4.74 119.74 108.41 1xke s LYS 8 Ca 0.12 -1.76 -0.29 0.00 -1.00 0.00 0.00 55.97 53.04 1xke s LYS 8 Cb -0.11 -1.46 -0.03 0.00 -2.06 0.00 0.00 37.83 34.17 1xke s LYS 8 CO 0.01 0.20 1.47 0.08 0.10 0.00 0.00 175.35 177.21 1xke s VAL 9 N -2.76 3.90 -0.07 1.79 1.01 -1.26 -0.33 120.40 122.69 1xke s VAL 9 Ca 0.28 1.09 -0.05 0.00 0.00 0.00 0.00 61.98 63.30 1xke s VAL 9 Cb -0.01 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1xke s VAL 9 CO 0.12 -0.12 -0.09 -0.11 0.00 0.00 0.00 175.10 174.90 1xke n LEU 10 N 7.03 0.82 -3.81 3.92 0.00 -0.02 -4.93 117.00 120.01 1xke n LEU 10 Ca 0.16 0.37 -0.12 0.00 0.00 0.00 0.00 56.01 56.41 1xke n LEU 10 Cb 0.44 -0.65 -0.12 0.00 0.00 0.00 0.00 43.42 43.08 1xke n LEU 10 CO 0.60 -0.47 -0.15 -0.47 0.00 0.00 0.00 177.39 176.90 1xke s TYR 11 N -1.61 -0.20 -0.07 1.96 5.04 -1.25 -4.99 117.35 116.22 1xke s TYR 11 Ca -0.08 0.48 0.01 0.00 -2.44 0.00 0.00 57.07 55.05 1xke s TYR 11 Cb 0.01 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.41 1xke s TYR 11 CO 0.12 -0.12 -0.09 -1.54 -1.34 0.00 0.00 175.55 172.59 1xke s SER 12 N 0.01 1.61 0.06 4.32 1.04 -1.25 -1.02 113.70 118.47 1xke s SER 12 Ca -0.01 -0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 1xke s SER 12 Cb -0.02 -0.71 0.02 0.00 0.10 0.00 0.00 66.02 65.42 1xke s SER 12 CO 0.00 -0.03 0.30 -1.58 0.98 0.00 0.00 173.24 172.91 1xke s GLN 13 N 1.00 0.86 -0.06 4.02 0.74 0.12 -4.91 119.66 121.43 1xke s GLN 13 Ca -0.09 -0.61 -0.30 0.00 0.05 0.00 0.00 55.36 54.41 1xke s GLN 13 Cb -0.15 0.37 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 1xke s GLN 13 CO -0.00 -0.29 1.13 1.03 -0.55 0.00 0.00 175.29 176.61 1xke s ARG 14 N -2.98 4.39 0.36 1.67 0.52 -1.26 0.11 118.95 121.76 1xke s ARG 14 Ca -0.02 1.58 0.03 0.00 -0.52 0.00 0.00 55.73 56.81 1xke s ARG 14 Cb 0.01 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1xke s ARG 14 CO -0.06 -0.37 0.11 0.54 0.02 0.00 0.00 175.30 175.53 1xke s VAL 15 N 2.00 0.76 -0.10 3.52 0.11 0.23 -4.82 120.40 122.11 1xke s VAL 15 Ca 0.54 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.59 1xke s VAL 15 Cb -0.23 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.08 1xke s VAL 15 CO 0.22 0.00 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.33 1xke s LYS 16 N -3.80 3.08 0.05 1.54 1.02 -0.47 -0.99 119.74 120.17 1xke s LYS 16 Ca 0.30 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.65 1xke s LYS 16 Cb 0.05 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1xke s LYS 16 CO 0.15 0.39 0.07 -1.17 -0.92 0.00 0.00 175.35 173.87 1xke s LEU 17 N -0.10 3.81 0.03 3.17 2.96 0.01 -2.25 118.68 126.31 1xke s LEU 17 Ca -0.01 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1xke s LEU 17 Cb -0.14 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.13 1xke s LEU 17 CO 0.03 0.21 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.86 1xke s PHE 18 N -1.31 0.48 0.08 5.38 0.40 0.96 0.85 117.98 124.82 1xke s PHE 18 Ca 0.27 -0.54 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 1xke s PHE 18 Cb -0.12 -0.31 -0.04 0.00 0.51 0.00 0.00 43.02 43.07 1xke s PHE 18 CO 0.19 -0.14 -0.16 -0.98 0.70 0.00 0.00 175.22 174.83 1xke s ARG 19 N -1.66 2.02 -0.17 0.44 1.70 0.31 -0.11 118.95 121.48 1xke s ARG 19 Ca -0.12 -1.04 -0.23 0.00 -0.47 0.00 0.00 55.73 53.87 1xke s ARG 19 Cb -0.09 -2.21 -0.02 0.00 -0.57 0.00 0.00 34.95 32.06 1xke s ARG 19 CO -0.01 0.52 0.71 0.12 -1.08 0.00 0.00 175.30 175.56 1xke s PHE 20 N -1.07 3.42 -0.25 5.89 5.36 0.51 0.40 117.98 132.24 1xke s PHE 20 Ca 0.17 1.10 -0.21 0.00 -0.96 0.00 0.00 56.93 57.03 1xke s PHE 20 Cb -0.11 -2.88 -0.02 0.00 -0.34 0.00 0.00 43.02 39.68 1xke s PHE 20 CO 0.09 -0.15 0.68 0.34 -1.46 0.00 0.00 175.22 174.72 1xke s ASP 21 N 1.11 6.64 0.22 6.13 -1.08 0.22 -4.76 116.67 125.17 1xke s ASP 21 Ca 0.33 0.79 -0.01 0.00 -0.52 0.00 0.00 52.55 53.15 1xke s ASP 21 Cb -0.16 -2.36 0.22 0.00 -1.46 0.00 0.00 42.92 39.15 1xke s ASP 21 CO 0.12 -0.41 1.59 0.00 0.52 0.00 0.00 175.17 177.00 1xke h ALA 22 N 7.84 0.85 0.04 3.66 0.00 -1.93 0.54 119.26 130.26 1xke h ALA 22 Ca -0.26 -0.44 -0.23 0.00 0.00 0.00 0.00 54.91 53.97 1xke h ALA 22 Cb 1.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1xke h ALA 22 CO 0.80 0.65 -1.12 0.93 0.00 0.00 0.00 179.25 180.50 1xke h GLU 23 N 0.45 0.08 -0.00 0.00 4.39 -1.95 -3.25 114.58 114.29 1xke h GLU 23 Ca 0.04 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xke h GLU 23 Cb 0.91 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1xke h GLU 23 CO 0.08 1.03 -0.80 0.28 -1.16 0.00 0.00 179.01 178.44 1xke n VAL 24 N -3.38 0.00 -2.92 3.13 0.31 -1.19 -4.91 118.33 109.37 1xke n VAL 24 Ca -0.04 -0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 64.06 1xke n VAL 24 Cb 0.97 0.87 0.00 0.00 -0.91 0.00 0.00 33.84 34.77 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 -1.26 -4.39 -3.85 4.52 7.64 0.17 -4.93 113.62 111.52 1xke n SER 25 Ca 0.05 -0.14 -0.10 0.00 1.01 0.00 0.00 58.87 59.69 1xke n SER 25 Cb 0.35 -3.64 -0.08 0.00 -1.01 0.00 0.00 64.21 59.83 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 -5.55 0.74 -0.03 1.43 0.74 -0.25 -4.78 119.66 111.97 1xke s GLN 26 Ca 0.22 -0.74 -0.30 0.00 0.05 0.00 0.00 55.36 54.59 1xke s GLN 26 Cb -0.11 0.30 -0.06 0.00 1.10 0.00 0.00 33.01 34.24 1xke s GLN 26 CO 0.27 -0.22 1.62 1.67 -0.55 0.00 0.00 175.29 178.08 1xke s TRP 27 N -2.99 2.17 -0.01 1.67 1.48 -1.26 0.73 118.94 120.74 1xke s TRP 27 Ca -0.02 0.30 0.03 0.00 -1.06 0.00 0.00 56.10 55.35 1xke s TRP 27 Cb 0.01 -3.89 -0.01 0.00 -1.16 0.00 0.00 33.47 28.42 1xke s TRP 27 CO -0.06 -3.66 -0.11 0.21 -4.06 0.00 0.00 176.95 169.27 1xke s LYS 28 N 3.58 0.92 0.30 3.25 2.20 0.16 -4.93 119.74 125.23 1xke s LYS 28 Ca 0.72 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.66 1xke s LYS 28 Cb -0.34 -0.88 -0.09 0.00 -1.51 0.00 0.00 37.83 35.00 1xke s LYS 28 CO 0.29 0.22 1.11 -1.83 -0.36 0.00 0.00 175.35 174.78 1xke s GLU 29 N -0.18 4.53 -0.12 4.03 4.04 -1.26 0.11 118.70 129.86 1xke s GLU 29 Ca 0.03 1.80 0.16 0.00 0.04 0.00 0.00 54.97 57.00 1xke s GLU 29 Cb -0.05 -3.08 -0.24 0.00 0.02 0.00 0.00 34.13 30.78 1xke s GLU 29 CO -0.00 0.12 0.35 0.54 -1.84 0.00 0.00 175.26 174.43 1xke n ARG 30 N 0.95 0.66 -1.60 -4.83 5.12 0.25 -4.70 116.66 112.52 1xke n ARG 30 Ca -0.00 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1xke n ARG 30 Cb 0.45 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 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 1.64 -0.22 3.01 -0.13 0.00 -1.04 -4.94 105.19 103.52 1xke n GLY 31 Ca -0.25 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 1.86 0.00 0.99 1.43 -1.26 -0.81 118.68 120.89 1xke s LEU 32 Ca 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1xke s LEU 32 Cb 0.00 0.34 0.00 0.00 0.03 0.00 0.00 46.19 46.56 1xke s LEU 32 CO 0.00 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1xke n GLY 33 N 1.94 -2.11 3.64 -3.19 0.00 -0.16 -1.99 105.19 103.31 1xke n GLY 33 Ca -0.20 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.43 6.75 -0.24 1.61 2.47 -0.49 0.76 114.94 124.37 1xke s ASN 34 Ca 0.00 0.93 -0.21 0.00 0.42 0.00 0.00 52.86 54.00 1xke s ASN 34 Cb 0.00 -2.41 -0.02 0.00 -1.45 0.00 0.00 41.25 37.38 1xke s ASN 34 CO 0.00 -0.47 0.66 -0.22 -3.72 0.00 0.00 177.10 173.34 1xke s LEU 35 N 2.74 4.08 0.11 3.21 0.20 0.31 -1.74 118.68 127.59 1xke s LEU 35 Ca 0.32 0.78 0.08 0.00 0.69 0.00 0.00 54.13 56.00 1xke s LEU 35 Cb -0.15 -2.91 -0.04 0.00 -0.43 0.00 0.00 46.19 42.66 1xke s LEU 35 CO 0.08 -0.38 -0.20 -1.59 -0.29 0.00 0.00 176.35 173.97 1xke s LYS 36 N 2.46 1.13 -0.16 1.98 -2.85 0.14 0.12 119.74 122.56 1xke s LYS 36 Ca 0.28 -1.20 -0.04 0.00 -1.00 0.00 0.00 55.97 54.01 1xke s LYS 36 Cb -0.16 -1.33 -0.03 0.00 -2.06 0.00 0.00 37.83 34.26 1xke s LYS 36 CO 0.09 0.30 -0.03 0.42 0.10 0.00 0.00 175.35 176.22 1xke s ILE 37 N -1.39 3.89 -0.14 3.79 -1.09 -0.19 -0.52 121.20 125.54 1xke s ILE 37 Ca 0.08 -0.36 -0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1xke s ILE 37 Cb -0.09 -2.71 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 1xke s ILE 37 CO 0.05 0.49 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.43 1xke s LEU 38 N 0.44 3.18 -0.10 2.97 1.43 -0.26 -0.84 118.68 125.50 1xke s LEU 38 Ca -0.03 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1xke s LEU 38 Cb -0.14 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1xke s LEU 38 CO 0.03 0.20 -0.23 -0.75 0.23 0.00 0.00 176.35 175.82 1xke s LYS 39 N 0.18 2.97 0.51 1.70 2.20 0.55 -0.26 119.74 127.58 1xke s LYS 39 Ca -0.03 -0.86 -0.22 0.00 -0.36 0.00 0.00 55.97 54.50 1xke s LYS 39 Cb -0.14 -2.25 -0.06 0.00 -1.51 0.00 0.00 37.83 33.87 1xke s LYS 39 CO 0.03 0.18 1.30 -0.80 -0.36 0.00 0.00 175.35 175.70 1xke s ASN 40 N 0.34 5.58 0.39 1.43 -0.87 -0.90 -0.45 114.94 120.45 1xke s ASN 40 Ca -0.18 2.62 0.10 0.00 -1.57 0.00 0.00 52.86 53.83 1xke s ASN 40 Cb -0.18 -2.63 0.79 0.00 -0.02 0.00 0.00 41.25 39.22 1xke s ASN 40 CO 0.09 -1.35 1.92 -0.33 -2.57 0.00 0.00 177.10 174.86 1xke h GLU 41 N 1.68 0.23 0.00 -0.60 4.39 -0.32 0.53 114.58 120.49 1xke h GLU 41 Ca -0.50 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 1xke h GLU 41 Cb 1.28 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1xke h GLU 41 CO 0.58 0.37 -0.10 0.28 -1.16 0.00 0.00 179.01 178.97 1xke h VAL 42 N 0.22 0.19 -5.21 3.13 2.07 -1.90 -3.47 116.25 111.27 1xke h VAL 42 Ca 0.04 -1.20 -0.41 0.00 0.82 0.00 0.00 66.70 65.96 1xke h VAL 42 Cb 0.37 2.04 0.08 0.00 -1.52 0.00 0.00 31.29 32.26 1xke h VAL 42 CO 0.02 0.10 -0.65 -3.20 0.02 0.00 0.00 177.57 173.87 1xke n ASN 43 N -3.13 -6.10 -0.00 0.57 5.15 0.18 -4.91 115.26 107.02 1xke n ASN 43 Ca 0.03 -0.43 -0.22 0.00 -0.60 0.00 0.00 54.58 53.37 1xke n ASN 43 Cb 0.55 -4.87 -0.14 0.00 -0.53 0.00 0.00 39.78 34.80 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 -1.99 0.27 -3.85 8.20 0.00 -1.91 -3.47 103.07 100.32 1xke h GLY 44 Ca -0.55 -0.69 -0.39 0.00 0.00 0.00 0.00 47.33 45.71 1xke h GLY 44 CO 0.57 0.60 -0.76 1.25 0.00 0.00 0.00 176.54 178.21 1xke s LYS 45 N -2.50 0.92 0.09 4.80 2.47 -1.26 -5.06 119.74 119.19 1xke s LYS 45 Ca -0.22 -1.15 0.06 0.00 -1.56 0.00 0.00 55.97 53.11 1xke s LYS 45 Cb 0.06 -0.78 -0.03 0.00 -1.46 0.00 0.00 37.83 35.61 1xke s LYS 45 CO 0.75 0.15 -0.16 -0.51 0.16 0.00 0.00 175.35 175.74 1xke s LEU 46 N -2.27 2.30 0.10 5.43 2.01 -1.26 -2.13 118.68 122.86 1xke s LEU 46 Ca 0.05 -0.66 0.03 0.00 0.01 0.00 0.00 54.13 53.56 1xke s LEU 46 Cb -0.06 -0.62 -0.04 0.00 0.01 0.00 0.00 46.19 45.49 1xke s LEU 46 CO 0.02 -0.05 -0.09 -0.13 1.01 0.00 0.00 176.35 177.11 1xke s ARG 47 N -1.90 0.85 -0.15 1.70 0.52 0.64 -3.47 118.95 117.13 1xke s ARG 47 Ca 0.02 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 1xke s ARG 47 Cb -0.09 -0.40 0.03 0.00 0.52 0.00 0.00 34.95 35.00 1xke s ARG 47 CO 0.03 0.04 -0.11 1.41 0.02 0.00 0.00 175.30 176.69 1xke s MET 48 N -3.24 1.98 0.09 3.54 -2.45 0.31 -1.10 119.30 118.43 1xke s MET 48 Ca 0.08 -0.55 0.04 0.00 -1.25 0.00 0.00 55.69 54.02 1xke s MET 48 Cb 0.00 -2.05 -0.03 0.00 1.25 0.00 0.00 34.83 34.00 1xke s MET 48 CO -0.02 -0.31 -0.12 -0.48 1.05 0.00 0.00 175.02 175.15 1xke s LEU 49 N 1.53 2.35 -0.07 4.11 0.05 0.32 0.34 118.68 127.30 1xke s LEU 49 Ca 0.03 -0.72 0.01 0.00 0.05 0.00 0.00 54.13 53.50 1xke s LEU 49 Cb -0.14 -0.39 0.02 0.00 -2.05 0.00 0.00 46.19 43.64 1xke s LEU 49 CO -0.09 -0.18 -0.08 0.00 -0.55 0.00 0.00 176.35 175.45 1xke s MET 50 N -2.29 1.29 0.01 1.48 0.23 -1.06 0.25 119.30 119.20 1xke s MET 50 Ca 0.02 -0.23 0.01 0.00 -1.03 0.00 0.00 55.69 54.46 1xke s MET 50 Cb -0.06 -1.23 -0.04 0.00 -1.53 0.00 0.00 34.83 31.97 1xke s MET 50 CO 0.01 -0.11 0.04 0.50 -2.03 0.00 0.00 175.02 173.43 1xke s ARG 51 N 1.12 2.87 -0.11 3.16 3.00 -0.71 -0.39 118.95 127.89 1xke s ARG 51 Ca -0.07 -0.59 -0.28 0.00 -1.00 0.00 0.00 55.73 53.79 1xke s ARG 51 Cb -0.14 -2.73 -0.02 0.00 0.00 0.00 0.00 34.95 32.06 1xke s ARG 51 CO -0.01 0.62 0.93 1.03 0.00 0.00 0.00 175.30 177.87 1xke s ARG 52 N -1.75 4.40 0.00 5.12 0.52 -0.64 -1.40 118.95 125.19 1xke s ARG 52 Ca 0.22 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 1xke s ARG 52 Cb -0.12 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1xke s ARG 52 CO 0.13 -0.27 0.68 0.39 0.02 0.00 0.00 175.30 176.24 1xke n GLU 53 N 4.91 0.00 0.00 3.54 -0.58 -0.84 0.00 120.64 127.67 1xke n GLU 53 Ca 0.07 0.54 0.14 0.00 -0.42 0.00 0.00 57.16 57.49 1xke n GLU 53 Cb 0.49 -1.18 0.61 0.00 -0.57 0.00 0.00 31.44 30.80 1xke n GLU 53 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1xke n GLN 54 N -1.52 0.25 0.00 3.49 1.13 -1.26 -3.08 117.38 116.39 1xke n GLN 54 Ca 0.00 -0.04 0.13 0.00 -1.94 0.00 0.00 57.00 55.15 1xke n GLN 54 Cb 0.00 -1.50 0.40 0.00 0.11 0.00 0.00 30.24 29.25 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1xke n VAL 55 N -1.33 0.00 -0.60 5.09 0.31 -0.90 -4.93 118.33 115.97 1xke n VAL 55 Ca 0.10 -0.12 -0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1xke n VAL 55 Cb 0.30 0.34 -0.00 0.00 -0.91 0.00 0.00 33.84 33.57 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 -0.68 0.51 -3.94 7.52 7.94 0.10 -4.86 117.00 123.59 1xke n LEU 56 Ca 0.12 0.01 -0.31 0.00 -1.11 0.00 0.00 56.01 54.73 1xke n LEU 56 Cb 0.34 -1.64 -0.15 0.00 0.53 0.00 0.00 43.42 42.50 1xke n LEU 56 CO 0.26 -0.57 -0.39 -0.75 -1.11 0.00 0.00 177.39 174.83 1xke s LYS 57 N -1.21 1.48 -0.18 1.96 2.20 -1.19 -4.80 119.74 118.01 1xke s LYS 57 Ca 0.00 -1.25 -0.20 0.00 -0.36 0.00 0.00 55.97 54.15 1xke s LYS 57 Cb 0.00 -2.67 -0.09 0.00 -1.51 0.00 0.00 37.83 33.57 1xke s LYS 57 CO 0.00 -0.75 0.66 1.55 -0.36 0.00 0.00 175.35 176.46 1xke n VAL 58 N 4.58 0.00 -0.05 4.02 3.14 -1.26 -1.62 118.33 127.14 1xke n VAL 58 Ca -0.07 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.25 1xke n VAL 58 Cb 0.43 -0.18 -0.06 0.00 -1.06 0.00 0.00 33.84 32.97 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 -2.22 1.74 -0.41 0.00 0.00 -1.19 -3.63 121.76 116.05 1xke s ALA 60 Ca -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1xke s ALA 60 Cb 0.03 -0.66 0.11 0.00 0.00 0.00 0.00 23.12 22.61 1xke s ALA 60 CO 0.31 0.24 0.15 1.21 0.00 0.00 0.00 175.76 177.67 1xke s ASN 61 N 0.34 4.44 -0.21 0.00 2.47 -1.26 -2.57 114.94 118.15 1xke s ASN 61 Ca -0.13 -2.47 -0.08 0.00 0.42 0.00 0.00 52.86 50.60 1xke s ASN 61 Cb -0.16 -1.51 -0.04 0.00 -1.45 0.00 0.00 41.25 38.09 1xke s ASN 61 CO 0.05 -0.32 0.08 -1.00 -3.72 0.00 0.00 177.10 172.19 1xke s HIS 62 N 0.47 3.20 -0.00 0.43 3.76 0.15 -4.19 115.29 119.11 1xke s HIS 62 Ca 0.14 -0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.74 1xke s HIS 62 Cb -0.22 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 1xke s HIS 62 CO -0.06 -0.02 0.78 -1.58 -0.85 0.00 0.00 174.74 173.02 1xke s TRP 63 N 0.86 3.66 -0.52 1.40 0.51 -1.26 0.11 118.94 123.71 1xke s TRP 63 Ca 0.04 1.44 -0.22 0.00 -2.12 0.00 0.00 56.10 55.24 1xke s TRP 63 Cb -0.14 -2.87 0.04 0.00 -0.81 0.00 0.00 33.47 29.70 1xke s TRP 63 CO 0.03 0.15 0.79 -1.50 -0.51 0.00 0.00 176.95 175.91 1xke s ILE 64 N 0.45 4.62 0.06 2.03 -1.16 -1.23 -4.90 121.20 121.07 1xke s ILE 64 Ca 0.41 0.02 -0.04 0.00 -0.51 0.00 0.00 60.65 60.52 1xke s ILE 64 Cb -0.20 -4.41 -0.02 0.00 0.61 0.00 0.00 42.46 38.44 1xke s ILE 64 CO 0.22 -0.93 0.06 0.28 -2.81 0.00 0.00 174.94 171.76 1xke s THR 65 N 3.34 0.18 -1.56 4.00 -1.32 -1.26 -4.75 115.64 114.26 1xke s THR 65 Ca 0.24 -1.49 0.26 0.00 -1.21 0.00 0.00 61.69 59.49 1xke s THR 65 Cb -0.15 -1.35 0.52 0.00 -1.51 0.00 0.00 72.50 70.00 1xke s THR 65 CO 0.17 -0.83 1.87 0.35 -2.21 0.00 0.00 174.62 173.98 1xke n THR 66 N 0.17 0.14 0.92 5.08 -2.24 -1.23 -2.63 114.28 114.50 1xke n THR 66 Ca -0.15 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.80 1xke n THR 66 Cb 0.61 -0.62 0.52 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.22 0.11 -4.45 4.28 -1.04 -1.26 -4.72 114.28 105.97 1xke n THR 67 Ca 0.14 -0.06 -0.23 0.00 -2.04 0.00 0.00 64.05 61.86 1xke n THR 67 Cb 0.18 -0.40 -0.10 0.00 -1.82 0.00 0.00 70.33 68.18 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 -3.02 1.61 0.00 -2.82 -2.45 -1.08 -5.12 119.30 106.43 1xke s MET 68 Ca 0.13 -1.79 0.03 0.00 -1.25 0.00 0.00 55.69 52.81 1xke s MET 68 Cb 0.17 -1.45 -0.01 0.00 1.25 0.00 0.00 34.83 34.80 1xke s MET 68 CO 0.57 0.17 -0.09 1.21 1.05 0.00 0.00 175.02 177.92 1xke s ASN 69 N -3.48 1.08 -0.13 1.11 3.04 -1.26 -4.85 114.94 110.44 1xke s ASN 69 Ca 0.29 -0.21 -0.10 0.00 0.04 0.00 0.00 52.86 52.88 1xke s ASN 69 Cb 0.00 -0.11 -0.05 0.00 -1.54 0.00 0.00 41.25 39.56 1xke s ASN 69 CO 0.13 0.08 0.21 -1.48 -3.04 0.00 0.00 177.10 173.00 1xke s LEU 70 N -0.37 4.33 0.02 3.21 0.05 -1.26 -3.79 118.68 120.87 1xke s LEU 70 Ca 0.02 0.50 0.05 0.00 0.05 0.00 0.00 54.13 54.75 1xke s LEU 70 Cb -0.04 -2.21 -0.02 0.00 -2.05 0.00 0.00 46.19 41.87 1xke s LEU 70 CO -0.00 0.28 -0.14 -0.75 -0.55 0.00 0.00 176.35 175.19 1xke s LYS 71 N -0.40 1.01 0.14 1.48 2.20 0.40 -4.92 119.74 119.63 1xke s LYS 71 Ca 0.15 -0.65 -0.17 0.00 -0.36 0.00 0.00 55.97 54.94 1xke s LYS 71 Cb -0.13 -1.00 -0.07 0.00 -1.51 0.00 0.00 37.83 35.12 1xke s LYS 71 CO 0.04 0.26 0.60 -1.25 -0.36 0.00 0.00 175.35 174.63 1xke s PRO 72 N -0.80 4.12 0.68 4.03 0.04 -1.26 -0.03 135.00 141.78 1xke s PRO 72 Ca 0.03 0.67 -0.05 0.00 0.04 0.00 0.00 61.00 61.69 1xke s PRO 72 Cb -0.07 -3.04 0.06 0.00 0.04 0.00 0.00 34.50 31.49 1xke s PRO 72 CO 0.01 0.52 0.97 -0.48 0.04 0.00 0.00 177.00 178.05 1xke s LEU 73 N -1.64 2.92 0.44 -3.56 2.34 -1.24 -4.94 118.68 113.01 1xke s LEU 73 Ca 0.36 0.31 -0.23 0.00 0.06 0.00 0.00 54.13 54.62 1xke s LEU 73 Cb -0.17 -2.99 -0.08 0.00 -0.56 0.00 0.00 46.19 42.40 1xke s LEU 73 CO 0.20 -1.53 1.14 -0.44 -1.06 0.00 0.00 176.35 174.65 1xke s SER 74 N -4.51 6.32 0.00 1.48 0.01 -1.26 -3.25 113.70 112.49 1xke s SER 74 Ca 0.60 2.24 0.00 0.00 1.31 0.00 0.00 55.95 60.10 1xke s SER 74 Cb -0.10 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1xke s SER 74 CO 0.43 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1xke n GLY 75 N 0.42 2.20 3.85 3.44 0.00 -1.26 -4.95 105.19 108.88 1xke n GLY 75 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1xke n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xke s SER 76 N -3.58 6.36 -0.12 1.61 0.15 -1.20 -4.99 113.70 111.93 1xke s SER 76 Ca 0.00 1.55 -0.14 0.00 0.70 0.00 0.00 55.95 58.06 1xke s SER 76 Cb 0.00 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1xke s SER 76 CO 0.00 -0.78 -0.27 -0.90 1.20 0.00 0.00 173.24 172.49 1xke n ASP 77 N -2.08 1.75 -2.60 5.45 5.68 -1.26 -4.88 116.55 118.61 1xke n ASP 77 Ca 0.07 0.29 -0.01 0.00 -0.50 0.00 0.00 54.79 54.63 1xke n ASP 77 Cb 0.54 -0.65 0.09 0.00 -1.14 0.00 0.00 41.12 39.96 1xke n ASP 77 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1xke n ARG 78 N -4.24 1.37 -4.29 0.11 3.00 -1.26 -5.01 116.66 106.34 1xke n ARG 78 Ca -0.12 -2.00 -0.34 0.00 -0.01 0.00 0.00 57.85 55.38 1xke n ARG 78 Cb 0.41 -0.26 -0.10 0.00 0.00 0.00 0.00 32.46 32.51 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 -1.20 3.24 0.13 7.54 0.00 -1.26 -4.16 121.76 126.04 1xke s ALA 79 Ca 0.15 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1xke s ALA 79 Cb 0.38 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1xke s ALA 79 CO -0.09 0.39 -0.03 -1.58 0.00 0.00 0.00 175.76 174.45 1xke s TRP 80 N -0.26 1.03 0.06 0.00 0.52 -1.24 -3.62 118.94 115.44 1xke s TRP 80 Ca 0.06 -0.97 0.07 0.00 0.02 0.00 0.00 56.10 55.29 1xke s TRP 80 Cb -0.12 -0.59 -0.03 0.00 -1.15 0.00 0.00 33.47 31.58 1xke s TRP 80 CO 0.02 -0.19 -0.20 0.00 0.02 0.00 0.00 176.95 176.61 1xke s MET 81 N -3.87 1.24 0.05 4.98 0.23 0.95 -1.91 119.30 120.97 1xke s MET 81 Ca 0.17 -0.99 0.03 0.00 -1.03 0.00 0.00 55.69 53.87 1xke s MET 81 Cb 0.06 -1.39 -0.02 0.00 -1.53 0.00 0.00 34.83 31.94 1xke s MET 81 CO -0.01 0.34 -0.09 1.67 -2.03 0.00 0.00 175.02 174.91 1xke s TRP 82 N -0.93 0.75 -0.17 3.16 -2.14 -0.51 -0.46 118.94 118.64 1xke s TRP 82 Ca 0.06 -0.50 -0.04 0.00 2.66 0.00 0.00 56.10 58.28 1xke s TRP 82 Cb -0.09 -0.44 -0.03 0.00 -3.10 0.00 0.00 33.47 29.81 1xke s TRP 82 CO 0.03 -0.06 -0.02 -0.48 -2.66 0.00 0.00 176.95 173.75 1xke s LEU 83 N -1.61 3.29 0.12 -4.66 2.34 -1.25 -1.94 118.68 114.98 1xke s LEU 83 Ca -0.09 -0.14 -0.05 0.00 0.06 0.00 0.00 54.13 53.91 1xke s LEU 83 Cb -0.10 -1.81 -0.02 0.00 -0.56 0.00 0.00 46.19 43.70 1xke s LEU 83 CO 0.01 0.14 0.14 0.00 -1.06 0.00 0.00 176.35 175.57 1xke s ALA 84 N 0.56 0.28 -0.65 1.48 0.00 -0.08 -4.76 121.76 118.59 1xke s ALA 84 Ca -0.02 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 50.65 1xke s ALA 84 Cb -0.14 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.69 1xke s ALA 84 CO 0.02 -0.52 1.10 -1.12 0.00 0.00 0.00 175.76 175.25 1xke s SER 85 N -2.96 6.24 -0.13 0.00 0.01 -1.26 -0.56 113.70 115.05 1xke s SER 85 Ca 0.14 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.92 1xke s SER 85 Cb 0.06 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.81 1xke s SER 85 CO -0.04 -1.54 -0.17 -0.62 0.41 0.00 0.00 173.24 171.28 1xke s ASP 86 N 3.42 2.70 0.00 2.44 2.15 0.79 -4.53 116.67 123.64 1xke s ASP 86 Ca 0.31 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.80 1xke s ASP 86 Cb -0.11 -1.22 0.00 0.00 -0.30 0.00 0.00 42.92 41.29 1xke s ASP 86 CO 0.16 0.01 0.00 0.49 -0.17 0.00 0.00 175.17 175.66 1xke n PHE 87 N 4.35 0.00 -0.04 -5.34 3.72 -1.25 -3.65 117.46 115.25 1xke n PHE 87 Ca -0.19 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.10 1xke n PHE 87 Cb 0.51 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1xke n PHE 87 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1xke h SER 88 N 0.00 0.78 0.00 4.37 0.87 -1.86 0.54 113.55 118.25 1xke h SER 88 Ca 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1xke h SER 88 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1xke h SER 88 CO 0.00 1.13 0.00 -0.67 -0.53 0.00 0.00 176.83 176.76 1xke n ASP 89 N -4.01 0.68 -0.28 6.23 2.03 -1.26 -4.43 116.55 115.51 1xke n ASP 89 Ca -0.03 -0.97 0.06 0.00 0.52 0.00 0.00 54.79 54.37 1xke n ASP 89 Cb 0.58 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.03 -0.15 0.00 0.27 0.00 -1.23 -5.07 105.19 99.04 1xke n GLY 90 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.12 -1.20 -4.55 1.61 2.03 0.15 -4.88 116.55 109.59 1xke n ASP 91 Ca 0.05 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.96 1xke n ASP 91 Cb 0.24 0.69 -0.03 0.00 -0.72 0.00 0.00 41.12 41.30 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 -0.94 2.49 0.12 -1.67 0.00 -1.03 -3.90 121.76 116.83 1xke s ALA 92 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.08 1xke s ALA 92 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 23.12 18.82 1xke s ALA 92 CO 0.00 -3.53 -0.18 0.15 0.00 0.00 0.00 175.76 172.20 1xke s LYS 93 N 6.31 1.11 -0.04 0.00 3.01 -1.24 -4.72 119.74 124.19 1xke s LYS 93 Ca 0.52 -1.21 -0.30 0.00 -1.01 0.00 0.00 55.97 53.97 1xke s LYS 93 Cb -0.11 -1.24 -0.03 0.00 -1.01 0.00 0.00 37.83 35.45 1xke s LYS 93 CO 0.19 0.27 1.07 -0.48 0.51 0.00 0.00 175.35 176.91 1xke s LEU 94 N -2.17 4.31 0.05 3.17 0.05 -1.26 -0.15 118.68 122.68 1xke s LEU 94 Ca 0.08 1.71 0.02 0.00 0.05 0.00 0.00 54.13 56.00 1xke s LEU 94 Cb -0.08 -3.56 -0.03 0.00 -2.05 0.00 0.00 46.19 40.47 1xke s LEU 94 CO 0.04 -0.42 -0.08 -1.61 -0.55 0.00 0.00 176.35 173.73 1xke s GLU 95 N 1.60 0.55 -0.24 1.48 0.41 0.28 -4.90 118.70 117.87 1xke s GLU 95 Ca 0.53 -0.80 -0.00 0.00 -0.41 0.00 0.00 54.97 54.28 1xke s GLU 95 Cb -0.22 -0.29 0.03 0.00 -1.78 0.00 0.00 34.13 31.87 1xke s GLU 95 CO 0.24 0.05 -0.09 -1.14 -0.49 0.00 0.00 175.26 173.82 1xke s GLN 96 N -1.75 2.69 0.12 1.61 0.74 -1.26 -0.90 119.66 120.90 1xke s GLN 96 Ca -0.08 -1.06 0.10 0.00 0.05 0.00 0.00 55.36 54.36 1xke s GLN 96 Cb -0.09 -2.91 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1xke s GLN 96 CO 0.00 -0.43 -0.24 -0.51 -0.55 0.00 0.00 175.29 173.56 1xke s LEU 97 N 1.26 2.32 0.25 3.68 1.02 -0.82 -0.37 118.68 126.02 1xke s LEU 97 Ca -0.02 -0.73 0.11 0.00 0.02 0.00 0.00 54.13 53.51 1xke s LEU 97 Cb -0.17 -1.07 -0.05 0.00 0.02 0.00 0.00 46.19 44.92 1xke s LEU 97 CO -0.06 0.12 -0.13 0.00 0.02 0.00 0.00 176.35 176.31 1xke s ALA 98 N -1.14 2.88 -0.06 4.21 0.00 0.84 -1.42 121.76 127.07 1xke s ALA 98 Ca 0.11 -1.71 -0.02 0.00 0.00 0.00 0.00 51.96 50.34 1xke s ALA 98 Cb -0.10 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1xke s ALA 98 CO 0.05 0.33 0.12 0.00 0.00 0.00 0.00 175.76 176.26 1xke s ALA 99 N -2.20 -0.17 0.04 0.00 0.00 -0.80 -0.03 121.76 118.61 1xke s ALA 99 Ca 0.28 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.90 1xke s ALA 99 Cb -0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1xke s ALA 99 CO 0.16 -0.18 -0.21 0.21 0.00 0.00 0.00 175.76 175.73 1xke s LYS 100 N 1.25 1.99 0.26 0.00 2.20 -0.95 -3.60 119.74 120.88 1xke s LYS 100 Ca -0.08 -1.02 0.07 0.00 -0.36 0.00 0.00 55.97 54.59 1xke s LYS 100 Cb -0.12 -2.11 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 1xke s LYS 100 CO -0.05 0.53 0.17 -0.06 -0.36 0.00 0.00 175.35 175.58 1xke s PHE 101 N -0.86 3.03 0.22 4.03 0.40 -1.26 -1.36 117.98 122.18 1xke s PHE 101 Ca 0.13 -0.14 -0.14 0.00 -0.60 0.00 0.00 56.93 56.18 1xke s PHE 101 Cb -0.10 -1.39 0.26 0.00 0.51 0.00 0.00 43.02 42.30 1xke s PHE 101 CO 0.04 0.52 1.60 0.87 0.70 0.00 0.00 175.22 178.95 1xke h LYS 102 N 1.54 -0.04 -5.18 0.44 6.56 -1.94 -3.42 116.57 114.53 1xke h LYS 102 Ca -0.48 0.00 -0.38 0.00 -1.06 0.00 0.00 60.65 58.74 1xke h LYS 102 Cb 1.24 0.01 -0.14 0.00 -0.57 0.00 0.00 32.23 32.77 1xke h LYS 102 CO 0.61 -0.03 -0.69 0.95 -2.06 0.00 0.00 179.45 178.23 1xke s THR 103 N -6.17 1.24 -1.17 -0.16 -4.23 -1.26 -5.00 115.64 98.89 1xke s THR 103 Ca -0.14 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.31 1xke s THR 103 Cb 0.20 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.97 1xke s THR 103 CO 0.73 -0.54 1.02 -2.65 -0.54 0.00 0.00 174.62 172.64 1xke n PRO 104 N -0.33 0.02 0.09 3.99 -0.02 -1.26 0.03 135.00 137.51 1xke n PRO 104 Ca -0.08 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.66 1xke n PRO 104 Cb 0.62 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 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 -0.28 0.00 -0.52 4.81 -1.95 0.56 114.58 117.21 1xke h GLU 105 Ca 0.00 0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.99 1xke h GLU 105 Cb 0.04 0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.50 1xke h GLU 105 CO 0.00 0.11 -1.02 -0.07 -0.73 0.00 0.00 179.01 177.30 1xke h LEU 106 N -0.80 0.79 -0.15 1.64 3.38 -1.67 -0.89 115.31 117.60 1xke h LEU 106 Ca -0.03 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 1xke h LEU 106 Cb 0.51 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xke h LEU 106 CO 0.05 1.43 -0.04 0.00 0.09 0.00 0.00 178.44 179.97 1xke h ALA 107 N 0.51 0.21 0.05 1.53 0.00 -0.50 -2.59 119.26 118.48 1xke h ALA 107 Ca -0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xke h ALA 107 Cb 1.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1xke h ALA 107 CO 0.19 -0.03 -0.03 1.49 0.00 0.00 0.00 179.25 180.88 1xke h GLU 108 N -0.00 -0.07 -0.58 0.00 4.81 0.19 -2.59 114.58 116.34 1xke h GLU 108 Ca 0.04 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1xke h GLU 108 Cb 0.47 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1xke h GLU 108 CO 0.02 0.49 0.17 0.93 -0.73 0.00 0.00 179.01 179.89 1xke h GLU 109 N -0.69 0.88 -0.27 1.92 4.39 -1.27 0.11 114.58 119.64 1xke h GLU 109 Ca -0.01 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.41 1xke h GLU 109 Cb 0.59 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1xke h GLU 109 CO 0.01 0.77 -0.29 0.35 -1.16 0.00 0.00 179.01 178.69 1xke h PHE 110 N 0.85 0.81 -0.42 4.33 3.04 -1.55 -2.21 116.94 121.79 1xke h PHE 110 Ca 0.19 -0.25 -0.15 0.00 3.98 0.00 0.00 57.97 61.74 1xke h PHE 110 Cb 0.26 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1xke h PHE 110 CO 0.02 0.99 -0.33 0.87 -2.02 0.00 0.00 178.31 177.83 1xke h LYS 111 N 0.39 0.96 -0.16 1.11 6.56 -0.94 0.31 116.57 124.81 1xke h LYS 111 Ca 0.04 -0.48 0.03 0.00 -1.06 0.00 0.00 60.65 59.18 1xke h LYS 111 Cb 0.86 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.50 1xke h LYS 111 CO 0.07 1.14 -0.02 1.96 -2.06 0.00 0.00 179.45 180.54 1xke h GLN 112 N 0.80 0.02 0.00 3.15 1.08 -0.86 -1.63 115.11 117.66 1xke h GLN 112 Ca 0.08 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1xke h GLN 112 Cb 0.92 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 1xke h GLN 112 CO 0.09 0.01 -0.24 -0.22 -0.95 0.00 0.00 178.83 177.52 1xke h LYS 113 N 0.02 0.00 0.16 1.46 1.63 -1.20 -1.68 116.57 116.96 1xke h LYS 113 Ca 0.07 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1xke h LYS 113 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1xke h LYS 113 CO -0.15 0.24 -0.08 0.35 -3.45 0.00 0.00 179.45 176.37 1xke h PHE 114 N 0.00 -0.20 -0.15 1.91 3.57 0.51 0.27 116.94 122.86 1xke h PHE 114 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1xke h PHE 114 Cb 0.48 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1xke h PHE 114 CO 0.00 0.14 -0.31 1.05 -2.23 0.00 0.00 178.31 176.95 1xke h GLU 115 N -0.55 0.30 -0.26 1.11 4.11 -1.21 -0.57 114.58 117.52 1xke h GLU 115 Ca -0.02 -0.12 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 1xke h GLU 115 Cb 0.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1xke h GLU 115 CO 0.04 0.59 0.15 1.49 0.07 0.00 0.00 179.01 181.35 1xke h GLU 116 N 0.26 0.35 -0.35 1.06 4.57 -1.05 -1.54 114.58 117.88 1xke h GLU 116 Ca 0.04 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1xke h GLU 116 Cb 0.69 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1xke h GLU 116 CO 0.05 0.28 0.24 0.00 -1.18 0.00 0.00 179.01 178.40 1xke h GLN 118 N 0.41 0.19 -0.02 0.00 4.20 -0.07 0.48 115.11 120.30 1xke h GLN 118 Ca 0.14 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1xke h GLN 118 Cb 0.06 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1xke h GLN 118 CO -0.03 0.13 -0.08 0.00 -0.67 0.00 0.00 178.83 178.17 1xke h ARG 119 N 0.20 0.09 0.01 1.46 -0.00 -0.90 -3.27 114.38 111.97 1xke h ARG 119 Ca 0.18 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.98 59.54 1xke h ARG 119 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.20 1xke h ARG 119 CO -0.24 0.72 -0.18 -0.07 0.00 0.00 0.00 179.97 180.20 1xke h LEU 120 N -0.51 0.15 -2.79 3.04 4.07 0.16 -3.38 115.31 116.04 1xke h LEU 120 Ca -0.00 -0.82 -0.00 0.00 0.08 0.00 0.00 57.88 57.14 1xke h LEU 120 Cb 0.73 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 1xke h LEU 120 CO 0.02 0.95 -0.00 0.25 -1.08 0.00 0.00 178.44 178.58 1xke h LEU 121 N -0.64 0.00 -0.69 1.67 6.46 -0.22 0.11 115.31 122.00 1xke h LEU 121 Ca -0.03 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1xke h LEU 121 Cb 0.99 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 1xke h LEU 121 CO 0.04 0.00 0.28 -0.07 -0.62 0.00 0.00 178.44 178.06 1xke h LEU 122 N 0.00 0.95 0.00 2.25 3.38 -1.73 -3.36 115.31 116.81 1xke h LEU 122 Ca -0.00 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.63 1xke h LEU 122 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1xke h LEU 122 CO 0.00 0.87 -1.64 -0.67 0.09 0.00 0.00 178.44 177.08 1xke n ASP 123 N -4.38 3.04 -4.68 -0.43 2.03 0.32 -4.95 116.55 107.50 1xke n ASP 123 Ca 0.05 -0.05 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1xke n ASP 123 Cb 0.17 0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 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 -2.23 4.81 0.13 5.18 -5.25 -0.89 -5.02 121.20 117.94 1xke s ILE 124 Ca -0.13 1.94 -0.31 0.00 -0.99 0.00 0.00 60.65 61.16 1xke s ILE 124 Cb 0.04 -4.27 -0.08 0.00 2.95 0.00 0.00 42.46 41.10 1xke s ILE 124 CO 0.29 0.02 1.31 -2.84 -1.79 0.00 0.00 174.94 171.93 1xke s PRO 125 N 2.00 4.37 -0.26 0.37 0.02 -1.26 -4.77 135.00 135.47 1xke s PRO 125 Ca 0.46 1.98 0.12 0.00 0.02 0.00 0.00 61.00 63.59 1xke s PRO 125 Cb -0.18 -3.26 0.62 0.00 0.02 0.00 0.00 34.50 31.71 1xke s PRO 125 CO 0.17 -0.33 1.60 1.28 -0.33 0.00 0.00 177.00 179.39 1xke n LEU 126 N 3.53 4.87 -4.25 -5.54 4.77 -1.26 -4.89 117.00 114.23 1xke n LEU 126 Ca 0.09 -3.25 -0.20 0.00 -0.03 0.00 0.00 56.01 52.62 1xke n LEU 126 Cb 0.43 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 40.76 1xke n LEU 126 CO 0.57 0.84 -0.47 -1.10 -1.33 0.00 0.00 177.39 175.90 1xke s GLN 127 N -2.98 1.04 -0.24 3.23 -0.21 -1.26 -5.10 119.66 114.13 1xke s GLN 127 Ca 0.48 -1.17 -0.25 0.00 0.02 0.00 0.00 55.36 54.44 1xke s GLN 127 Cb 0.40 -1.08 -0.00 0.00 1.00 0.00 0.00 33.01 33.33 1xke s GLN 127 CO 0.09 0.23 0.86 0.99 -2.12 0.00 0.00 175.29 175.34 1xke s THR 128 N -1.66 4.81 0.10 -0.19 2.01 -1.26 -5.00 115.64 114.45 1xke s THR 128 Ca 0.07 1.63 -0.31 0.00 0.31 0.00 0.00 61.69 63.39 1xke s THR 128 Cb -0.08 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.21 1xke s THR 128 CO 0.04 -0.10 1.29 -2.16 -0.69 0.00 0.00 174.62 172.99 1xke s PRO 129 N 2.91 4.39 0.00 4.92 0.04 -1.26 -5.23 135.00 140.76 1xke s PRO 129 Ca 0.36 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1xke s PRO 129 Cb -0.15 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1xke s PRO 129 CO 0.07 -0.32 0.00 1.63 0.04 0.00 0.00 177.00 178.42