#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 -0.71 -3.31 1.61 3.41 -1.26 -4.97 113.62 108.39 1xke n SER 2 Ca 0.00 -2.93 -0.29 0.00 -0.26 0.00 0.00 58.87 55.39 1xke n SER 2 Cb 0.00 0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1xke n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xke n GLY 3 N 1.33 5.20 2.78 5.00 0.00 -1.26 -4.88 105.19 113.35 1xke n GLY 3 Ca 0.18 -2.76 -0.26 0.00 0.00 0.00 0.00 46.02 43.17 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 0.46 2.92 0.00 1.61 1.02 -1.26 -4.95 120.64 120.44 1xke n GLU 4 Ca 0.31 -4.71 0.00 0.00 -0.02 0.00 0.00 57.16 52.74 1xke n GLU 4 Cb 0.39 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 1xke n GLU 4 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1xke n GLU 5 N 0.02 3.93 0.00 3.49 0.00 -1.26 -4.78 120.64 122.05 1xke n GLU 5 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.46 1xke n GLU 5 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 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 0.00 0.00 -4.69 -1.84 -0.08 -1.26 -4.92 116.55 103.76 1xke n ASP 6 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 1xke n ASP 6 Cb 0.00 -0.19 -0.09 0.00 2.34 0.00 0.00 41.12 43.18 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 2.99 0.10 -0.67 -1.05 -1.26 -0.80 118.70 118.01 1xke s GLU 7 Ca 0.00 -0.41 0.06 0.00 -0.15 0.00 0.00 54.97 54.48 1xke s GLU 7 Cb 0.00 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.85 1xke s GLU 7 CO 0.00 0.70 -0.08 -1.59 0.95 0.00 0.00 175.26 175.25 1xke s LYS 8 N -0.91 2.23 -0.24 -4.83 -2.85 0.10 -4.72 119.74 108.53 1xke s LYS 8 Ca 0.13 -0.98 -0.27 0.00 -1.00 0.00 0.00 55.97 53.86 1xke s LYS 8 Cb -0.11 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 1xke s LYS 8 CO 0.03 0.52 0.94 0.08 0.10 0.00 0.00 175.35 177.01 1xke s VAL 9 N -1.24 4.75 -0.21 1.79 1.01 -1.25 -0.56 120.40 124.68 1xke s VAL 9 Ca 0.22 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 63.84 1xke s VAL 9 Cb -0.11 -4.22 -0.18 0.00 0.00 0.00 0.00 36.38 31.86 1xke s VAL 9 CO 0.15 -0.15 0.05 0.18 0.00 0.00 0.00 175.10 175.33 1xke n LEU 10 N 6.20 2.16 -3.54 3.92 4.77 -0.60 -5.00 117.00 124.91 1xke n LEU 10 Ca 0.09 0.30 -0.16 0.00 -0.03 0.00 0.00 56.01 56.20 1xke n LEU 10 Cb 0.47 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 1xke n LEU 10 CO 0.50 0.54 0.50 -0.72 -1.33 0.00 0.00 177.39 176.88 1xke s TYR 11 N -2.46 -0.61 -0.04 -1.77 -0.85 -1.26 -5.02 117.35 105.34 1xke s TYR 11 Ca -0.31 1.07 0.03 0.00 -0.52 0.00 0.00 57.07 57.34 1xke s TYR 11 Cb 0.09 0.41 0.00 0.00 0.38 0.00 0.00 41.96 42.84 1xke s TYR 11 CO 0.60 -0.55 -0.12 -1.54 -1.52 0.00 0.00 175.55 172.42 1xke s SER 12 N -1.10 1.60 0.06 -0.18 1.04 -1.25 -1.48 113.70 112.38 1xke s SER 12 Ca -0.09 -0.26 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 1xke s SER 12 Cb -0.00 -0.50 0.01 0.00 0.10 0.00 0.00 66.02 65.63 1xke s SER 12 CO 0.08 0.08 0.28 -1.58 0.98 0.00 0.00 173.24 173.08 1xke s GLN 13 N 0.25 0.82 -0.17 4.02 0.74 0.13 -4.90 119.66 120.56 1xke s GLN 13 Ca -0.06 -0.63 -0.29 0.00 0.05 0.00 0.00 55.36 54.43 1xke s GLN 13 Cb -0.11 0.35 -0.01 0.00 1.10 0.00 0.00 33.01 34.34 1xke s GLN 13 CO 0.02 -0.27 1.15 0.50 -0.55 0.00 0.00 175.29 176.14 1xke s ARG 14 N -2.92 4.28 0.26 1.67 6.06 -1.25 0.11 118.95 127.15 1xke s ARG 14 Ca -0.02 1.53 0.02 0.00 -2.50 0.00 0.00 55.73 54.75 1xke s ARG 14 Cb 0.00 -3.67 -0.04 0.00 0.06 0.00 0.00 34.95 31.30 1xke s ARG 14 CO -0.06 -0.61 0.12 0.54 -2.50 0.00 0.00 175.30 172.80 1xke s VAL 15 N 3.08 0.40 -0.11 7.11 0.11 0.16 -4.81 120.40 126.34 1xke s VAL 15 Ca 0.50 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.56 1xke s VAL 15 Cb -0.19 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.07 1xke s VAL 15 CO 0.13 0.00 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.21 1xke s LYS 16 N -3.98 3.22 -0.08 1.54 3.01 -0.95 -0.70 119.74 121.80 1xke s LYS 16 Ca 0.37 -0.71 -0.03 0.00 -1.01 0.00 0.00 55.97 54.59 1xke s LYS 16 Cb 0.07 -2.56 -0.04 0.00 -1.01 0.00 0.00 37.83 34.29 1xke s LYS 16 CO 0.15 0.27 0.06 -1.17 0.51 0.00 0.00 175.35 175.16 1xke s LEU 17 N 0.20 3.90 0.02 3.17 2.96 0.76 -2.35 118.68 127.35 1xke s LEU 17 Ca -0.09 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 1xke s LEU 17 Cb -0.15 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1xke s LEU 17 CO 0.05 0.37 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.98 1xke s PHE 18 N -0.98 1.03 0.07 5.38 0.40 0.13 0.96 117.98 124.97 1xke s PHE 18 Ca 0.15 -0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.25 1xke s PHE 18 Cb -0.12 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.75 1xke s PHE 18 CO 0.05 0.00 -0.18 -0.98 0.70 0.00 0.00 175.22 174.81 1xke s ARG 19 N -0.88 1.99 -0.25 0.44 1.04 0.16 -0.11 118.95 121.34 1xke s ARG 19 Ca 0.01 -1.04 -0.11 0.00 -1.04 0.00 0.00 55.73 53.55 1xke s ARG 19 Cb -0.07 -2.17 -0.05 0.00 -2.04 0.00 0.00 34.95 30.62 1xke s ARG 19 CO 0.01 0.52 0.16 0.12 -0.04 0.00 0.00 175.30 176.07 1xke s PHE 20 N -1.00 3.30 -0.28 5.89 5.36 0.04 -0.07 117.98 131.21 1xke s PHE 20 Ca 0.16 0.20 -0.18 0.00 -0.96 0.00 0.00 56.93 56.15 1xke s PHE 20 Cb -0.11 -2.29 -0.02 0.00 -0.34 0.00 0.00 43.02 40.27 1xke s PHE 20 CO 0.07 0.03 0.52 0.34 -1.46 0.00 0.00 175.22 174.72 1xke s ASP 21 N 1.17 6.41 0.21 6.13 -1.08 0.25 -4.51 116.67 125.26 1xke s ASP 21 Ca 0.07 0.41 -0.03 0.00 -0.52 0.00 0.00 52.55 52.48 1xke s ASP 21 Cb -0.14 -2.28 0.18 0.00 -1.46 0.00 0.00 42.92 39.22 1xke s ASP 21 CO 0.06 -0.34 1.59 0.00 0.52 0.00 0.00 175.17 177.00 1xke h ALA 22 N 8.12 0.83 0.00 3.66 0.00 -1.92 0.54 119.26 130.48 1xke h ALA 22 Ca -0.29 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.11 1xke h ALA 22 Cb 1.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1xke h ALA 22 CO 0.73 0.64 -0.47 0.93 0.00 0.00 0.00 179.25 181.08 1xke h GLU 23 N 0.56 0.00 -0.00 0.00 5.08 -1.96 -2.46 114.58 115.80 1xke h GLU 23 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xke h GLU 23 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1xke h GLU 23 CO 0.07 0.47 -0.79 0.28 -1.00 0.00 0.00 179.01 178.05 1xke n VAL 24 N -3.24 0.00 -3.44 3.13 0.31 -1.15 -4.91 118.33 109.03 1xke n VAL 24 Ca 0.02 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.07 1xke n VAL 24 Cb 0.71 0.81 -0.00 0.00 -0.91 0.00 0.00 33.84 34.45 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 -1.31 -3.81 -4.23 4.52 7.64 0.15 -4.94 113.62 111.64 1xke n SER 25 Ca 0.05 -0.45 -0.24 0.00 1.01 0.00 0.00 58.87 59.25 1xke n SER 25 Cb 0.35 -3.14 -0.14 0.00 -1.01 0.00 0.00 64.21 60.27 1xke n SER 25 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xke s GLN 26 N -6.09 1.26 -0.42 1.43 0.74 0.98 -4.85 119.66 112.71 1xke s GLN 26 Ca 0.43 -0.93 -0.17 0.00 0.05 0.00 0.00 55.36 54.74 1xke s GLN 26 Cb -0.23 -1.38 0.02 0.00 1.10 0.00 0.00 33.01 32.53 1xke s GLN 26 CO 0.53 0.35 0.42 1.67 -0.55 0.00 0.00 175.29 177.71 1xke s TRP 27 N -0.85 3.18 0.08 1.67 1.48 -1.25 0.87 118.94 124.11 1xke s TRP 27 Ca 0.06 -0.41 0.10 0.00 -1.06 0.00 0.00 56.10 54.79 1xke s TRP 27 Cb -0.09 -2.87 -0.03 0.00 -1.16 0.00 0.00 33.47 29.32 1xke s TRP 27 CO 0.02 -0.70 -0.27 0.21 -4.06 0.00 0.00 176.95 172.16 1xke s LYS 28 N 2.09 1.63 0.33 3.25 2.20 0.90 -4.89 119.74 125.25 1xke s LYS 28 Ca 0.11 -1.21 -0.28 0.00 -0.36 0.00 0.00 55.97 54.24 1xke s LYS 28 Cb -0.17 -1.94 -0.09 0.00 -1.51 0.00 0.00 37.83 34.11 1xke s LYS 28 CO 0.13 0.49 1.14 -1.83 -0.36 0.00 0.00 175.35 174.92 1xke s GLU 29 N -1.58 4.40 -0.09 4.03 1.03 -1.26 0.40 118.70 125.64 1xke s GLU 29 Ca 0.13 1.84 -0.04 0.00 0.03 0.00 0.00 54.97 56.92 1xke s GLU 29 Cb -0.10 -2.97 -0.27 0.00 -0.80 0.00 0.00 34.13 29.99 1xke s GLU 29 CO 0.04 -0.02 0.50 0.00 -1.33 0.00 0.00 175.26 174.45 1xke h ARG 30 N 3.31 0.24 0.00 -4.83 3.08 0.28 -3.45 114.38 113.02 1xke h ARG 30 Ca -0.48 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.15 1xke h ARG 30 Cb 1.22 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1xke h ARG 30 CO 0.65 1.11 0.00 0.41 -1.07 0.00 0.00 179.97 181.07 1xke n GLY 31 N 1.88 -0.54 3.09 0.04 0.00 -1.13 -5.01 105.19 103.52 1xke n GLY 31 Ca -0.27 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 2.25 0.00 0.99 1.02 -1.26 -0.17 118.68 121.51 1xke s LEU 32 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 54.13 53.31 1xke s LEU 32 Cb 0.00 0.33 0.00 0.00 0.02 0.00 0.00 46.19 46.54 1xke s LEU 32 CO 0.00 -0.57 0.00 0.61 0.02 0.00 0.00 176.35 176.41 1xke n GLY 33 N 0.35 -0.57 3.60 -3.19 0.00 0.12 -3.28 105.19 102.22 1xke n GLY 33 Ca -0.16 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 5.90 -0.24 1.61 2.47 -0.63 0.40 114.94 120.45 1xke s ASN 34 Ca 0.00 0.01 -0.22 0.00 0.42 0.00 0.00 52.86 53.07 1xke s ASN 34 Cb 0.00 -2.07 -0.01 0.00 -1.45 0.00 0.00 41.25 37.71 1xke s ASN 34 CO 0.00 0.01 0.71 -0.22 -3.72 0.00 0.00 177.10 173.88 1xke s LEU 35 N 1.40 4.08 0.04 3.21 0.20 0.30 -2.12 118.68 125.79 1xke s LEU 35 Ca 0.07 0.86 0.07 0.00 0.69 0.00 0.00 54.13 55.83 1xke s LEU 35 Cb -0.15 -3.00 -0.03 0.00 -0.43 0.00 0.00 46.19 42.59 1xke s LEU 35 CO 0.07 -0.41 -0.21 -0.75 -0.29 0.00 0.00 176.35 174.75 1xke s LYS 36 N 2.53 1.44 -0.22 1.98 2.20 0.23 0.17 119.74 128.07 1xke s LYS 36 Ca 0.30 -0.95 -0.05 0.00 -0.36 0.00 0.00 55.97 54.91 1xke s LYS 36 Cb -0.15 -1.56 -0.02 0.00 -1.51 0.00 0.00 37.83 34.59 1xke s LYS 36 CO 0.08 0.40 0.00 0.42 -0.36 0.00 0.00 175.35 175.90 1xke s ILE 37 N -0.79 3.83 -0.12 5.43 -1.09 -0.55 0.00 121.20 127.91 1xke s ILE 37 Ca 0.08 -0.34 -0.01 0.00 -2.23 0.00 0.00 60.65 58.15 1xke s ILE 37 Cb -0.09 -2.76 -0.02 0.00 -1.58 0.00 0.00 42.46 38.01 1xke s ILE 37 CO 0.02 0.40 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.28 1xke s LEU 38 N 1.38 3.02 -0.12 2.97 1.02 -0.38 -1.56 118.68 125.00 1xke s LEU 38 Ca 0.05 -0.18 0.03 0.00 0.02 0.00 0.00 54.13 54.05 1xke s LEU 38 Cb -0.15 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.38 1xke s LEU 38 CO 0.00 0.22 -0.22 -0.75 0.02 0.00 0.00 176.35 175.63 1xke s LYS 39 N 0.02 3.08 0.52 1.70 2.20 0.27 -0.33 119.74 127.21 1xke s LYS 39 Ca -0.02 -0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 54.52 1xke s LYS 39 Cb -0.14 -2.41 -0.06 0.00 -1.51 0.00 0.00 37.83 33.72 1xke s LYS 39 CO 0.03 0.10 1.34 -0.80 -0.36 0.00 0.00 175.35 175.66 1xke s ASN 40 N 0.55 5.47 0.45 1.43 -0.87 -0.59 0.02 114.94 121.40 1xke s ASN 40 Ca -0.13 2.72 0.21 0.00 -1.57 0.00 0.00 52.86 54.09 1xke s ASN 40 Cb -0.17 -2.63 1.06 0.00 -0.02 0.00 0.00 41.25 39.48 1xke s ASN 40 CO 0.04 -1.43 1.93 -0.08 -2.57 0.00 0.00 177.10 174.99 1xke h GLU 41 N 1.66 0.00 0.00 -0.60 4.22 -1.32 0.15 114.58 118.70 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 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1xke h GLU 41 CO 0.58 0.24 -0.04 0.28 -2.18 0.00 0.00 179.01 177.89 1xke h VAL 42 N 0.00 0.10 -0.82 0.32 2.07 -1.90 -3.46 116.25 112.56 1xke h VAL 42 Ca -0.00 -0.64 -0.27 0.00 0.82 0.00 0.00 66.70 66.61 1xke h VAL 42 Cb 0.54 1.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.80 1xke h VAL 42 CO 0.03 0.04 -0.26 -3.20 0.02 0.00 0.00 177.57 174.20 1xke n ASN 43 N -3.15 -4.48 0.00 0.57 5.15 0.54 -4.92 115.26 108.97 1xke n ASN 43 Ca 0.01 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1xke n ASN 43 Cb 0.34 -3.22 0.00 0.00 -0.53 0.00 0.00 39.78 36.37 1xke n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xke n GLY 44 N -1.32 -0.52 3.72 8.20 0.00 -1.26 -4.88 105.19 109.13 1xke n GLY 44 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1xke n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xke s LYS 45 N -0.97 2.89 0.17 1.61 1.02 -1.26 -4.99 119.74 118.20 1xke s LYS 45 Ca 0.00 -0.57 0.11 0.00 0.02 0.00 0.00 55.97 55.53 1xke s LYS 45 Cb 0.00 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1xke s LYS 45 CO 0.00 0.63 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.31 1xke s LEU 46 N -1.65 2.43 0.03 3.17 2.01 -1.26 -1.55 118.68 121.86 1xke s LEU 46 Ca 0.21 -0.80 -0.08 0.00 0.01 0.00 0.00 54.13 53.47 1xke s LEU 46 Cb -0.12 -1.23 -0.00 0.00 0.01 0.00 0.00 46.19 44.86 1xke s LEU 46 CO 0.12 0.14 0.15 0.00 1.01 0.00 0.00 176.35 177.77 1xke s ARG 47 N -2.44 0.59 -0.21 1.70 3.03 0.56 -3.18 118.95 119.00 1xke s ARG 47 Ca 0.18 -0.58 -0.02 0.00 2.03 0.00 0.00 55.73 57.35 1xke s ARG 47 Cb -0.09 0.24 0.01 0.00 -1.03 0.00 0.00 34.95 34.08 1xke s ARG 47 CO 0.09 -0.15 -0.10 -1.64 -1.13 0.00 0.00 175.30 172.36 1xke s MET 48 N -2.15 3.16 0.13 3.89 -1.94 0.26 -1.25 119.30 121.40 1xke s MET 48 Ca -0.09 -0.75 0.08 0.00 -1.71 0.00 0.00 55.69 53.23 1xke s MET 48 Cb -0.03 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 1xke s MET 48 CO -0.02 -0.23 -0.19 -0.48 -0.01 0.00 0.00 175.02 174.09 1xke s LEU 49 N 1.39 2.37 -0.05 -0.03 0.05 0.10 -0.28 118.68 122.22 1xke s LEU 49 Ca 0.05 -0.77 0.00 0.00 0.05 0.00 0.00 54.13 53.46 1xke s LEU 49 Cb -0.14 -0.84 0.02 0.00 -2.05 0.00 0.00 46.19 43.18 1xke s LEU 49 CO -0.07 0.01 -0.03 0.00 -0.55 0.00 0.00 176.35 175.71 1xke s MET 50 N -2.34 0.78 -0.10 1.48 0.23 -0.81 0.75 119.30 119.29 1xke s MET 50 Ca 0.11 -0.04 -0.04 0.00 -1.03 0.00 0.00 55.69 54.69 1xke s MET 50 Cb -0.08 -0.90 -0.04 0.00 -1.53 0.00 0.00 34.83 32.29 1xke s MET 50 CO 0.05 -0.16 0.04 0.50 -2.03 0.00 0.00 175.02 173.43 1xke s ARG 51 N 1.26 3.18 -0.20 3.16 3.00 -0.90 -0.03 118.95 128.42 1xke s ARG 51 Ca -0.06 -0.33 -0.26 0.00 -1.00 0.00 0.00 55.73 54.09 1xke s ARG 51 Cb -0.14 -2.93 -0.01 0.00 0.00 0.00 0.00 34.95 31.88 1xke s ARG 51 CO -0.02 0.70 0.86 1.03 0.00 0.00 0.00 175.30 177.87 1xke s ARG 52 N -0.84 4.25 0.03 5.12 0.52 -0.65 -1.60 118.95 125.78 1xke s ARG 52 Ca 0.13 1.04 -0.15 0.00 -0.52 0.00 0.00 55.73 56.24 1xke s ARG 52 Cb -0.12 -3.61 -0.07 0.00 0.52 0.00 0.00 34.95 31.67 1xke s ARG 52 CO 0.03 -0.44 1.22 0.93 0.02 0.00 0.00 175.30 177.06 1xke h GLU 53 N 7.48 -0.44 -0.00 3.54 4.39 -1.88 0.44 114.58 128.11 1xke h GLU 53 Ca -0.26 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1xke h GLU 53 Cb 1.11 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1xke h GLU 53 CO 0.87 -0.29 -0.07 1.04 -1.16 0.00 0.00 179.01 179.40 1xke n GLN 54 N -3.52 0.29 0.00 2.33 6.02 -1.26 -2.05 117.38 119.18 1xke n GLN 54 Ca -0.05 -0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.02 1xke n GLN 54 Cb 0.19 -1.50 0.43 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.32 0.00 -0.57 5.09 0.31 -0.90 -4.93 118.33 116.01 1xke n VAL 55 Ca 0.11 -0.11 -0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1xke n VAL 55 Cb 0.29 0.29 -0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 -0.73 0.48 -3.91 7.52 7.94 0.15 -4.87 117.00 123.58 1xke n LEU 56 Ca 0.13 0.01 -0.30 0.00 -1.11 0.00 0.00 56.01 54.73 1xke n LEU 56 Cb 0.33 -1.59 -0.15 0.00 0.53 0.00 0.00 43.42 42.54 1xke n LEU 56 CO 0.25 -0.54 -0.39 -0.75 -1.11 0.00 0.00 177.39 174.86 1xke s LYS 57 N -1.15 1.39 -0.29 1.96 2.47 -1.07 -4.85 119.74 118.20 1xke s LYS 57 Ca 0.00 -1.16 -0.27 0.00 -1.56 0.00 0.00 55.97 52.98 1xke s LYS 57 Cb 0.00 -2.58 -0.12 0.00 -1.46 0.00 0.00 37.83 33.68 1xke s LYS 57 CO 0.00 -0.74 0.94 1.55 0.16 0.00 0.00 175.35 177.26 1xke n VAL 58 N 4.64 0.00 -0.07 4.02 3.14 -1.26 -1.63 118.33 127.16 1xke n VAL 58 Ca -0.07 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.23 1xke n VAL 58 Cb 0.43 -0.29 -0.09 0.00 -1.06 0.00 0.00 33.84 32.83 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 -2.31 0.55 -0.45 0.00 0.00 -1.19 -3.26 121.76 115.10 1xke s ALA 60 Ca -0.11 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1xke s ALA 60 Cb 0.04 -0.40 0.12 0.00 0.00 0.00 0.00 23.12 22.88 1xke s ALA 60 CO 0.48 -0.06 0.21 1.21 0.00 0.00 0.00 175.76 177.60 1xke s ASN 61 N 1.00 4.89 -0.22 0.00 2.47 -1.26 -1.92 114.94 119.90 1xke s ASN 61 Ca -0.10 -2.45 -0.10 0.00 0.42 0.00 0.00 52.86 50.64 1xke s ASN 61 Cb -0.14 -1.73 -0.05 0.00 -1.45 0.00 0.00 41.25 37.88 1xke s ASN 61 CO -0.01 -0.39 0.13 -1.00 -3.72 0.00 0.00 177.10 172.11 1xke s HIS 62 N 0.52 3.32 -0.17 0.43 3.76 0.62 -4.50 115.29 119.27 1xke s HIS 62 Ca 0.13 0.20 -0.25 0.00 -0.15 0.00 0.00 55.06 54.99 1xke s HIS 62 Cb -0.22 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.26 1xke s HIS 62 CO -0.04 0.14 0.82 -1.58 -0.85 0.00 0.00 174.74 173.23 1xke s TRP 63 N 0.72 3.42 -0.37 1.40 0.51 -1.26 0.92 118.94 124.28 1xke s TRP 63 Ca 0.07 1.24 -0.11 0.00 -2.12 0.00 0.00 56.10 55.18 1xke s TRP 63 Cb -0.13 -3.00 0.02 0.00 -0.81 0.00 0.00 33.47 29.55 1xke s TRP 63 CO 0.01 -0.23 0.21 0.96 -0.51 0.00 0.00 176.95 177.39 1xke s ILE 64 N 2.13 4.66 0.18 2.03 -5.25 -1.19 -4.92 121.20 118.83 1xke s ILE 64 Ca 0.38 -0.75 -0.07 0.00 -0.99 0.00 0.00 60.65 59.22 1xke s ILE 64 Cb -0.17 -3.56 -0.02 0.00 2.95 0.00 0.00 42.46 41.67 1xke s ILE 64 CO 0.12 -0.19 0.26 0.28 -1.79 0.00 0.00 174.94 173.63 1xke s THR 65 N 1.58 0.05 -1.57 8.37 -1.32 -1.26 -4.68 115.64 116.80 1xke s THR 65 Ca 0.03 -1.57 0.26 0.00 -1.21 0.00 0.00 61.69 59.20 1xke s THR 65 Cb -0.19 -2.04 0.53 0.00 -1.51 0.00 0.00 72.50 69.29 1xke s THR 65 CO 0.07 -0.22 1.90 0.35 -2.21 0.00 0.00 174.62 174.51 1xke n THR 66 N -0.24 0.13 1.30 5.08 -2.24 -1.25 -2.87 114.28 114.18 1xke n THR 66 Ca -0.05 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1xke n THR 66 Cb 0.63 -0.61 0.39 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.21 0.19 -4.00 4.28 -1.04 -1.26 -4.81 114.28 106.43 1xke n THR 67 Ca 0.14 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.05 61.73 1xke n THR 67 Cb 0.18 0.32 -0.04 0.00 -1.82 0.00 0.00 70.33 68.97 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 -1.81 1.77 0.01 -2.82 0.00 -1.14 -5.18 119.30 110.13 1xke s MET 68 Ca 0.32 -1.44 -0.02 0.00 0.00 0.00 0.00 55.69 54.55 1xke s MET 68 Cb 0.17 0.49 -0.01 0.00 0.00 0.00 0.00 34.83 35.47 1xke s MET 68 CO 0.26 -0.75 0.01 1.21 0.00 0.00 0.00 175.02 175.75 1xke s ASN 69 N -3.10 0.18 -0.16 1.11 3.84 -1.26 -4.74 114.94 110.81 1xke s ASN 69 Ca 0.24 -0.41 -0.08 0.00 0.21 0.00 0.00 52.86 52.82 1xke s ASN 69 Cb -0.01 0.12 -0.04 0.00 -0.55 0.00 0.00 41.25 40.77 1xke s ASN 69 CO 0.13 -0.31 0.12 -1.48 -2.79 0.00 0.00 177.10 172.77 1xke s LEU 70 N -1.38 4.18 0.05 3.21 0.05 -1.26 -3.51 118.68 120.01 1xke s LEU 70 Ca -0.15 0.29 0.09 0.00 0.05 0.00 0.00 54.13 54.41 1xke s LEU 70 Cb -0.09 -2.05 -0.03 0.00 -2.05 0.00 0.00 46.19 41.97 1xke s LEU 70 CO -0.00 0.28 -0.25 -0.75 -0.55 0.00 0.00 176.35 175.07 1xke s LYS 71 N -0.22 1.84 0.66 1.48 2.20 0.13 -4.95 119.74 120.87 1xke s LYS 71 Ca 0.10 -1.10 -0.15 0.00 -0.36 0.00 0.00 55.97 54.46 1xke s LYS 71 Cb -0.12 -2.01 0.00 0.00 -1.51 0.00 0.00 37.83 34.19 1xke s LYS 71 CO 0.01 0.52 1.11 -2.14 -0.36 0.00 0.00 175.35 174.49 1xke s PRO 72 N -1.30 2.78 0.72 4.03 0.02 -1.26 -0.04 135.00 139.94 1xke s PRO 72 Ca 0.12 1.40 -0.10 0.00 0.02 0.00 0.00 61.00 62.45 1xke s PRO 72 Cb -0.10 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.51 1xke s PRO 72 CO 0.03 -1.27 1.08 -1.17 -0.33 0.00 0.00 177.00 175.34 1xke s LEU 73 N -4.87 2.83 -0.16 -5.54 2.96 -0.28 -4.69 118.68 108.93 1xke s LEU 73 Ca 0.67 0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 55.18 1xke s LEU 73 Cb -0.21 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 1xke s LEU 73 CO 0.42 -1.48 1.81 -0.44 -1.32 0.00 0.00 176.35 175.33 1xke s SER 74 N -4.43 6.22 0.00 3.68 0.01 -1.26 -2.81 113.70 115.11 1xke s SER 74 Ca 0.59 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.75 1xke s SER 74 Cb -0.11 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1xke s SER 74 CO 0.49 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1xke n GLY 75 N 4.84 2.97 3.26 3.44 0.00 -1.26 -4.96 105.19 113.48 1xke n GLY 75 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.37 2.96 -0.16 1.61 0.15 -1.12 -4.96 113.70 110.82 1xke s SER 76 Ca 0.00 -0.49 0.19 0.00 0.70 0.00 0.00 55.95 56.35 1xke s SER 76 Cb 0.00 -0.71 -0.27 0.00 -1.71 0.00 0.00 66.02 63.33 1xke s SER 76 CO 0.00 0.25 0.17 0.47 1.20 0.00 0.00 173.24 175.33 1xke n ASP 77 N 2.86 0.07 0.01 5.45 9.92 -1.26 -1.13 116.55 132.47 1xke n ASP 77 Ca -0.17 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.20 1xke n ASP 77 Cb 0.52 1.24 -0.01 0.00 -0.64 0.00 0.00 41.12 42.23 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 -2.62 0.11 -4.06 -1.24 3.00 -1.26 -4.77 116.66 105.82 1xke n ARG 78 Ca -0.25 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.85 57.27 1xke n ARG 78 Cb 1.00 -1.52 -0.07 0.00 0.00 0.00 0.00 32.46 31.87 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 -3.08 3.51 0.24 7.54 0.00 -1.26 -3.42 121.76 125.28 1xke s ALA 79 Ca 0.07 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1xke s ALA 79 Cb 0.16 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1xke s ALA 79 CO 0.82 0.74 -0.14 1.67 0.00 0.00 0.00 175.76 178.85 1xke s TRP 80 N -1.38 1.88 0.02 0.00 1.48 -1.08 -2.63 118.94 117.22 1xke s TRP 80 Ca 0.29 -0.55 0.03 0.00 -1.06 0.00 0.00 56.10 54.81 1xke s TRP 80 Cb -0.12 -0.90 -0.01 0.00 -1.16 0.00 0.00 33.47 31.27 1xke s TRP 80 CO 0.21 0.42 -0.09 0.00 -4.06 0.00 0.00 176.95 173.43 1xke s MET 81 N -3.63 0.65 -0.01 3.25 0.23 0.94 -1.05 119.30 119.67 1xke s MET 81 Ca 0.25 -0.52 0.02 0.00 -1.03 0.00 0.00 55.69 54.41 1xke s MET 81 Cb -0.01 -0.58 -0.00 0.00 -1.53 0.00 0.00 34.83 32.72 1xke s MET 81 CO 0.09 0.14 -0.08 -0.46 -2.03 0.00 0.00 175.02 172.69 1xke s TRP 82 N -0.68 0.79 -0.21 3.16 -0.11 0.14 0.20 118.94 122.22 1xke s TRP 82 Ca -0.01 -0.17 -0.07 0.00 1.22 0.00 0.00 56.10 57.07 1xke s TRP 82 Cb -0.06 -0.54 -0.03 0.00 -1.50 0.00 0.00 33.47 31.34 1xke s TRP 82 CO 0.00 -0.04 0.06 -0.48 -4.62 0.00 0.00 176.95 171.87 1xke s LEU 83 N -0.03 3.60 0.11 5.86 2.34 -1.23 -1.18 118.68 128.16 1xke s LEU 83 Ca 0.01 -0.07 -0.08 0.00 0.06 0.00 0.00 54.13 54.04 1xke s LEU 83 Cb -0.05 -1.93 -0.01 0.00 -0.56 0.00 0.00 46.19 43.63 1xke s LEU 83 CO -0.00 0.07 0.20 0.00 -1.06 0.00 0.00 176.35 175.56 1xke s ALA 84 N 1.00 -0.04 -0.59 1.48 0.00 -1.00 -4.71 121.76 117.89 1xke s ALA 84 Ca 0.04 -0.79 -0.24 0.00 0.00 0.00 0.00 51.96 50.97 1xke s ALA 84 Cb -0.14 0.62 0.05 0.00 0.00 0.00 0.00 23.12 23.65 1xke s ALA 84 CO 0.03 -0.54 0.97 -1.54 0.00 0.00 0.00 175.76 174.67 1xke s SER 85 N -2.91 6.28 -0.04 0.00 1.04 -1.26 -2.19 113.70 114.62 1xke s SER 85 Ca 0.10 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 56.03 1xke s SER 85 Cb 0.05 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.73 1xke s SER 85 CO -0.07 -1.32 -0.15 -0.62 0.98 0.00 0.00 173.24 172.07 1xke s ASP 86 N 3.12 1.88 0.00 7.02 2.15 0.82 -4.55 116.67 127.12 1xke s ASP 86 Ca 0.28 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1xke s ASP 86 Cb -0.13 -0.52 0.00 0.00 -0.30 0.00 0.00 42.92 41.97 1xke s ASP 86 CO 0.16 0.13 0.00 0.49 -0.17 0.00 0.00 175.17 175.78 1xke n PHE 87 N 3.19 0.00 0.21 -5.34 3.72 -1.26 -2.78 117.46 115.20 1xke n PHE 87 Ca -0.18 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.29 1xke n PHE 87 Cb 0.53 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.50 1xke n PHE 87 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1xke h SER 88 N 0.00 0.00 -0.04 4.37 0.02 -1.83 0.98 113.55 117.05 1xke h SER 88 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1xke h SER 88 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1xke h SER 88 CO 0.00 0.31 -0.53 -0.67 -1.14 0.00 0.00 176.83 174.80 1xke n ASP 89 N -3.64 1.86 0.00 3.07 2.03 -1.26 -4.57 116.55 114.04 1xke n ASP 89 Ca -0.01 -3.85 0.00 0.00 0.52 0.00 0.00 54.79 51.46 1xke n ASP 89 Cb 0.43 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 -1.05 0.24 0.00 0.27 0.00 -1.18 -5.11 105.19 98.35 1xke n GLY 90 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1xke n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xke n ASP 91 N 0.00 -1.24 -4.64 1.61 2.03 0.34 -4.93 116.55 109.72 1xke n ASP 91 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1xke n ASP 91 Cb 0.00 0.69 -0.02 0.00 -0.72 0.00 0.00 41.12 41.06 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 -0.88 3.42 0.14 -1.67 0.00 -1.17 -4.15 121.76 117.45 1xke s ALA 92 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1xke s ALA 92 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1xke s ALA 92 CO 0.00 -1.68 -0.04 0.21 0.00 0.00 0.00 175.76 174.25 1xke s LYS 93 N 4.21 1.01 -0.15 0.00 2.36 -1.12 -4.72 119.74 121.33 1xke s LYS 93 Ca 0.63 -1.45 -0.15 0.00 -2.55 0.00 0.00 55.97 52.45 1xke s LYS 93 Cb -0.22 -0.30 -0.04 0.00 -1.05 0.00 0.00 37.83 36.21 1xke s LYS 93 CO 0.24 -0.06 0.34 -0.48 1.55 0.00 0.00 175.35 176.94 1xke s LEU 94 N -3.13 4.24 0.10 5.43 -0.00 -1.26 -0.13 118.68 123.95 1xke s LEU 94 Ca 0.19 0.58 -0.04 0.00 -0.00 0.00 0.00 54.13 54.85 1xke s LEU 94 Cb 0.05 -2.45 -0.02 0.00 -0.00 0.00 0.00 46.19 43.76 1xke s LEU 94 CO 0.00 0.06 0.11 -0.70 -0.00 0.00 0.00 176.35 175.82 1xke s GLU 95 N 0.56 0.86 -0.28 1.48 2.12 -0.93 -4.96 118.70 117.55 1xke s GLU 95 Ca 0.19 -1.21 -0.07 0.00 0.36 0.00 0.00 54.97 54.23 1xke s GLU 95 Cb -0.14 0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.53 1xke s GLU 95 CO 0.05 -0.25 0.08 -0.65 -0.54 0.00 0.00 175.26 173.96 1xke s GLN 96 N -3.95 3.33 0.07 4.30 -0.21 -1.26 -2.38 119.66 119.56 1xke s GLN 96 Ca 0.13 -0.70 0.08 0.00 0.02 0.00 0.00 55.36 54.89 1xke s GLN 96 Cb 0.06 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1xke s GLN 96 CO -0.05 -0.34 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.09 1xke s LEU 97 N 1.55 2.66 0.27 2.90 1.02 -0.32 -0.78 118.68 125.99 1xke s LEU 97 Ca 0.04 -0.47 0.09 0.00 0.02 0.00 0.00 54.13 53.82 1xke s LEU 97 Cb -0.16 -1.54 -0.05 0.00 0.02 0.00 0.00 46.19 44.45 1xke s LEU 97 CO 0.03 0.23 -0.14 0.00 0.02 0.00 0.00 176.35 176.49 1xke s ALA 98 N -1.01 2.52 -0.11 4.21 0.00 0.84 0.23 121.76 128.44 1xke s ALA 98 Ca 0.16 -1.86 -0.08 0.00 0.00 0.00 0.00 51.96 50.18 1xke s ALA 98 Cb -0.11 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1xke s ALA 98 CO 0.07 0.12 0.27 0.00 0.00 0.00 0.00 175.76 176.23 1xke s ALA 99 N -2.75 -0.67 0.03 0.00 0.00 -0.22 0.22 121.76 118.38 1xke s ALA 99 Ca 0.28 0.91 0.04 0.00 0.00 0.00 0.00 51.96 53.20 1xke s ALA 99 Cb -0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1xke s ALA 99 CO 0.12 -0.16 -0.12 -1.59 0.00 0.00 0.00 175.76 174.01 1xke s LYS 100 N 0.64 0.83 0.56 0.00 -2.85 -0.99 -2.64 119.74 115.30 1xke s LYS 100 Ca -0.04 -0.69 0.01 0.00 -1.00 0.00 0.00 55.97 54.25 1xke s LYS 100 Cb -0.05 -0.80 0.04 0.00 -2.06 0.00 0.00 37.83 34.96 1xke s LYS 100 CO -0.04 0.20 0.79 -0.06 0.10 0.00 0.00 175.35 176.34 1xke s PHE 101 N -0.84 2.74 0.24 1.78 0.40 -1.26 -2.25 117.98 118.79 1xke s PHE 101 Ca 0.00 -0.04 -0.13 0.00 -0.60 0.00 0.00 56.93 56.16 1xke s PHE 101 Cb -0.07 -2.77 0.30 0.00 0.51 0.00 0.00 43.02 40.99 1xke s PHE 101 CO 0.01 -0.94 1.58 0.87 0.70 0.00 0.00 175.22 177.44 1xke h LYS 102 N 0.02 -0.03 -4.27 0.44 1.57 -1.93 -3.44 116.57 108.94 1xke h LYS 102 Ca -0.41 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.20 1xke h LYS 102 Cb 1.29 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 1xke h LYS 102 CO 0.51 -0.02 -0.52 0.95 -0.57 0.00 0.00 179.45 179.80 1xke s THR 103 N -6.16 0.06 -0.84 -0.16 -4.23 -1.26 -5.00 115.64 98.05 1xke s THR 103 Ca -0.14 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1xke s THR 103 Cb 0.22 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.94 1xke s THR 103 CO 0.74 -0.27 0.90 -2.65 -0.54 0.00 0.00 174.62 172.80 1xke n PRO 104 N -0.19 0.00 0.07 3.99 -0.02 -1.26 -0.28 135.00 137.31 1xke n PRO 104 Ca -0.04 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 1xke n PRO 104 Cb 0.64 -1.59 -0.08 0.00 -0.02 0.00 0.00 33.50 32.45 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 -0.22 -0.10 -0.52 4.81 -1.95 0.61 114.58 117.21 1xke h GLU 105 Ca 0.00 0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 1xke h GLU 105 Cb 0.17 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.61 1xke h GLU 105 CO 0.00 0.19 -0.84 -0.07 -0.73 0.00 0.00 179.01 177.57 1xke h LEU 106 N -0.78 0.83 -0.09 1.64 -0.00 -1.59 -2.57 115.31 112.76 1xke h LEU 106 Ca -0.02 -0.58 -0.03 0.00 -0.00 0.00 0.00 57.88 57.25 1xke h LEU 106 Cb 0.52 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1xke h LEU 106 CO 0.04 1.37 -0.07 0.00 -0.00 0.00 0.00 178.44 179.78 1xke h ALA 107 N 0.60 0.12 -0.01 1.53 0.00 -0.72 -2.62 119.26 118.17 1xke h ALA 107 Ca -0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1xke h ALA 107 Cb 1.46 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1xke h ALA 107 CO 0.16 -0.08 -0.00 1.49 0.00 0.00 0.00 179.25 180.83 1xke h GLU 108 N -0.20 0.01 -0.14 0.00 4.81 0.30 0.27 114.58 119.63 1xke h GLU 108 Ca 0.02 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1xke h GLU 108 Cb 0.56 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1xke h GLU 108 CO 0.02 0.42 -0.25 0.93 -0.73 0.00 0.00 179.01 179.40 1xke h GLU 109 N -0.40 0.26 -0.13 1.92 5.08 -1.59 -1.51 114.58 118.21 1xke h GLU 109 Ca 0.00 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1xke h GLU 109 Cb 0.42 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xke h GLU 109 CO 0.00 0.50 -0.19 0.35 -1.00 0.00 0.00 179.01 178.67 1xke h PHE 110 N 0.24 0.45 -0.35 4.33 3.57 -1.33 -2.73 116.94 121.12 1xke h PHE 110 Ca 0.04 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.43 1xke h PHE 110 Cb 0.58 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1xke h PHE 110 CO 0.01 0.80 0.09 -0.22 -2.23 0.00 0.00 178.31 176.76 1xke h LYS 111 N -0.03 0.22 -0.02 1.11 3.64 -0.25 0.46 116.57 121.70 1xke h LYS 111 Ca 0.01 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1xke h LYS 111 Cb 0.75 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1xke h LYS 111 CO 0.04 0.14 -0.07 1.96 -2.27 0.00 0.00 179.45 179.26 1xke h GLN 112 N 0.22 -0.11 -0.35 1.90 1.08 -1.38 -2.02 115.11 114.45 1xke h GLN 112 Ca 0.16 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1xke h GLN 112 Cb 0.16 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1xke h GLN 112 CO -0.19 -0.07 0.13 -0.22 -0.95 0.00 0.00 178.83 177.52 1xke h LYS 113 N -0.12 0.50 0.22 1.46 3.64 -1.04 -2.67 116.57 118.56 1xke h LYS 113 Ca 0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1xke h LYS 113 Cb 0.16 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1xke h LYS 113 CO -0.08 0.43 -0.10 0.35 -2.27 0.00 0.00 179.45 177.77 1xke h PHE 114 N 0.50 -0.27 0.00 1.91 3.57 0.57 0.55 116.94 123.77 1xke h PHE 114 Ca 0.12 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1xke h PHE 114 Cb 0.13 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1xke h PHE 114 CO 0.00 -0.06 -0.21 1.05 -2.23 0.00 0.00 178.31 176.87 1xke h GLU 115 N -0.43 0.00 -0.40 1.11 -0.00 -1.29 -0.76 114.58 112.80 1xke h GLU 115 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.22 1xke h GLU 115 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.07 1xke h GLU 115 CO 0.05 0.21 -0.20 1.49 -0.00 0.00 0.00 179.01 180.56 1xke h GLU 116 N 0.00 0.84 -0.33 1.06 4.57 -1.04 -2.76 114.58 116.92 1xke h GLU 116 Ca -0.00 -0.37 0.03 0.00 -1.18 0.00 0.00 59.36 57.84 1xke h GLU 116 Cb 0.37 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1xke h GLU 116 CO 0.03 1.00 0.22 0.00 -1.18 0.00 0.00 179.01 179.08 1xke h GLN 118 N 0.32 0.10 -0.02 0.00 4.20 -0.86 0.56 115.11 119.40 1xke h GLN 118 Ca 0.14 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1xke h GLN 118 Cb 0.14 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1xke h GLN 118 CO -0.03 0.06 -0.09 0.00 -0.67 0.00 0.00 178.83 178.11 1xke h ARG 119 N 0.10 0.10 -0.04 1.46 -0.00 -1.09 -3.33 114.38 111.58 1xke h ARG 119 Ca 0.17 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.98 59.47 1xke h ARG 119 Cb 0.24 0.01 0.01 0.00 0.00 0.00 0.00 29.97 30.23 1xke h ARG 119 CO -0.29 0.72 -0.39 -0.07 0.00 0.00 0.00 179.97 179.94 1xke h LEU 120 N -0.50 0.41 -2.48 3.04 4.07 -0.14 -3.34 115.31 116.37 1xke h LEU 120 Ca -0.00 -0.70 -0.00 0.00 0.08 0.00 0.00 57.88 57.25 1xke h LEU 120 Cb 0.74 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 1xke h LEU 120 CO 0.02 1.05 -0.02 0.25 -1.08 0.00 0.00 178.44 178.66 1xke h LEU 121 N -0.20 0.00 -0.32 1.67 7.12 -0.08 0.18 115.31 123.68 1xke h LEU 121 Ca -0.04 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.87 1xke h LEU 121 Cb 1.08 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.20 1xke h LEU 121 CO 0.08 0.02 -0.20 -0.07 -0.13 0.00 0.00 178.44 178.14 1xke h LEU 122 N 0.00 0.72 0.00 2.25 3.38 -1.73 -3.36 115.31 116.58 1xke h LEU 122 Ca -0.00 -0.43 -0.36 0.00 0.09 0.00 0.00 57.88 57.18 1xke h LEU 122 Cb 0.08 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1xke h LEU 122 CO 0.00 1.00 -2.29 -0.67 0.09 0.00 0.00 178.44 176.57 1xke n ASP 123 N -4.32 0.29 -4.72 -0.43 2.03 0.54 -4.92 116.55 105.01 1xke n ASP 123 Ca -0.03 0.06 -0.42 0.00 0.52 0.00 0.00 54.79 54.92 1xke n ASP 123 Cb 0.42 0.72 -0.03 0.00 -0.72 0.00 0.00 41.12 41.51 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 -2.51 3.48 0.59 5.18 -5.25 -0.57 -5.00 121.20 117.12 1xke s ILE 124 Ca -0.11 1.10 -0.17 0.00 -0.99 0.00 0.00 60.65 60.47 1xke s ILE 124 Cb 0.06 -3.70 -0.03 0.00 2.95 0.00 0.00 42.46 41.74 1xke s ILE 124 CO 0.81 0.11 1.11 -2.84 -1.79 0.00 0.00 174.94 172.34 1xke s PRO 125 N 0.77 3.15 -0.73 0.37 0.02 -1.26 -4.94 135.00 132.37 1xke s PRO 125 Ca 0.61 1.48 -0.26 0.00 0.02 0.00 0.00 61.00 62.85 1xke s PRO 125 Cb -0.35 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.20 1xke s PRO 125 CO 0.32 -0.99 1.48 -1.17 -0.33 0.00 0.00 177.00 176.31 1xke s LEU 126 N -4.26 3.22 -0.41 -5.54 0.20 -1.26 -4.92 118.68 105.71 1xke s LEU 126 Ca 0.70 -0.32 -0.29 0.00 0.69 0.00 0.00 54.13 54.90 1xke s LEU 126 Cb -0.22 -2.55 0.02 0.00 -0.43 0.00 0.00 46.19 43.01 1xke s LEU 126 CO 0.33 -2.00 1.28 -1.10 -0.29 0.00 0.00 176.35 174.57 1xke s GLN 127 N 6.09 3.71 0.37 1.98 -0.21 -1.26 -4.99 119.66 125.35 1xke s GLN 127 Ca 0.46 0.87 -0.25 0.00 0.02 0.00 0.00 55.36 56.46 1xke s GLN 127 Cb -0.09 -3.95 -0.10 0.00 1.00 0.00 0.00 33.01 29.88 1xke s GLN 127 CO 0.14 -1.40 1.00 0.95 -2.12 0.00 0.00 175.29 173.87 1xke s THR 128 N 4.83 3.95 0.19 -0.19 -4.23 -1.26 -4.95 115.64 113.98 1xke s THR 128 Ca 0.55 1.53 -0.31 0.00 -1.18 0.00 0.00 61.69 62.28 1xke s THR 128 Cb -0.12 -3.81 -0.11 0.00 1.34 0.00 0.00 72.50 69.81 1xke s THR 128 CO 0.30 0.05 1.60 -2.16 -0.54 0.00 0.00 174.62 173.86 1xke s PRO 129 N -2.34 4.19 0.00 3.99 0.04 -1.26 -5.30 135.00 134.32 1xke s PRO 129 Ca 0.55 2.43 0.29 0.00 0.04 0.00 0.00 61.00 64.30 1xke s PRO 129 Cb -0.20 -3.12 1.22 0.00 0.04 0.00 0.00 34.50 32.44 1xke s PRO 129 CO 0.25 -0.63 1.84 1.63 0.04 0.00 0.00 177.00 180.14