#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 -3.93 -3.70 1.61 2.88 -1.26 -4.98 113.62 104.24 1xke n SER 2 Ca 0.00 0.17 -0.30 0.00 -1.33 0.00 0.00 58.87 57.41 1xke n SER 2 Cb 0.00 -2.55 -0.15 0.00 -0.75 0.00 0.00 64.21 60.76 1xke n SER 2 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1xke s GLY 3 N -2.80 1.01 0.00 0.46 0.00 -1.26 -4.95 107.32 99.78 1xke s GLY 3 Ca 0.00 -1.63 0.28 0.00 0.00 0.00 0.00 44.72 43.37 1xke s GLY 3 CO 0.00 1.68 1.76 1.18 0.00 0.00 0.00 173.10 177.73 1xke n GLU 4 N 4.85 1.29 0.00 2.90 -0.58 -1.26 -4.63 120.64 123.20 1xke n GLU 4 Ca -0.02 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.05 1xke n GLU 4 Cb 0.42 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 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 -0.27 0.00 -0.98 3.49 0.00 -1.26 -4.94 120.64 116.68 1xke n GLU 5 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.33 1xke n GLU 5 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.76 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 -2.54 -4.68 -1.84 2.03 -1.26 -4.88 116.55 103.38 1xke n ASP 6 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1xke n ASP 6 Cb 0.00 -0.82 -0.09 0.00 -0.72 0.00 0.00 41.12 39.49 1xke n ASP 6 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xke s GLU 7 N -0.27 2.95 0.31 -0.67 1.03 -1.26 -0.69 118.70 120.09 1xke s GLU 7 Ca 0.00 -0.44 0.09 0.00 0.03 0.00 0.00 54.97 54.64 1xke s GLU 7 Cb 0.00 -2.77 -0.06 0.00 -0.80 0.00 0.00 34.13 30.50 1xke s GLU 7 CO 0.00 0.69 -0.09 -1.59 -1.33 0.00 0.00 175.26 172.94 1xke s LYS 8 N -0.99 1.69 -0.26 -4.83 -2.85 -0.20 -4.75 119.74 107.56 1xke s LYS 8 Ca 0.14 -1.86 -0.22 0.00 -1.00 0.00 0.00 55.97 53.04 1xke s LYS 8 Cb -0.11 -1.48 -0.01 0.00 -2.06 0.00 0.00 37.83 34.16 1xke s LYS 8 CO 0.04 0.12 0.70 0.08 0.10 0.00 0.00 175.35 176.39 1xke s VAL 9 N -2.77 4.92 -0.14 1.79 1.01 -1.26 -0.82 120.40 123.14 1xke s VAL 9 Ca 0.31 1.24 -0.10 0.00 0.00 0.00 0.00 61.98 63.43 1xke s VAL 9 Cb 0.02 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1xke s VAL 9 CO 0.14 -0.04 0.04 -0.07 0.00 0.00 0.00 175.10 175.17 1xke h LEU 10 N 9.08 0.00 -7.48 3.92 -0.00 -1.73 -3.49 115.31 115.60 1xke h LEU 10 Ca -0.25 -0.18 -0.13 0.00 -0.00 0.00 0.00 57.88 57.32 1xke h LEU 10 Cb 1.11 0.00 -0.22 0.00 -0.00 0.00 0.00 40.66 41.55 1xke h LEU 10 CO 0.82 0.79 -0.31 -0.72 -0.00 0.00 0.00 178.44 179.01 1xke s TYR 11 N -2.01 -0.24 -0.10 1.13 1.13 -1.26 -5.03 117.35 110.97 1xke s TYR 11 Ca -0.12 0.49 -0.00 0.00 -1.41 0.00 0.00 57.07 56.03 1xke s TYR 11 Cb 0.01 0.10 0.02 0.00 -1.10 0.00 0.00 41.96 40.99 1xke s TYR 11 CO 0.24 -0.29 -0.07 -1.54 -2.51 0.00 0.00 175.55 171.38 1xke s SER 12 N -0.71 2.05 0.03 -0.18 1.04 -1.25 -2.26 113.70 112.42 1xke s SER 12 Ca -0.08 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 1xke s SER 12 Cb -0.04 -0.80 0.01 0.00 0.10 0.00 0.00 66.02 65.30 1xke s SER 12 CO 0.03 -0.10 0.26 -1.58 0.98 0.00 0.00 173.24 172.82 1xke s GLN 13 N 1.58 0.74 -0.17 4.02 0.74 0.94 -4.88 119.66 122.63 1xke s GLN 13 Ca 0.02 -0.50 -0.29 0.00 0.05 0.00 0.00 55.36 54.63 1xke s GLN 13 Cb -0.13 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.29 1xke s GLN 13 CO -0.06 -0.23 1.12 0.50 -0.55 0.00 0.00 175.29 176.07 1xke s ARG 14 N -2.37 4.28 0.38 1.67 3.52 -1.25 0.87 118.95 126.05 1xke s ARG 14 Ca -0.06 1.49 0.04 0.00 -0.13 0.00 0.00 55.73 57.07 1xke s ARG 14 Cb -0.02 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1xke s ARG 14 CO -0.02 -0.59 0.09 0.54 -0.81 0.00 0.00 175.30 174.50 1xke s VAL 15 N 3.03 0.90 -0.12 7.11 0.11 0.22 -4.75 120.40 126.90 1xke s VAL 15 Ca 0.49 -2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 57.53 1xke s VAL 15 Cb -0.19 -2.53 -0.03 0.00 -1.53 0.00 0.00 36.38 32.11 1xke s VAL 15 CO 0.12 0.00 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.29 1xke s LYS 16 N -3.81 3.31 0.01 1.54 1.02 -0.26 -0.58 119.74 120.97 1xke s LYS 16 Ca 0.28 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 1xke s LYS 16 Cb 0.05 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1xke s LYS 16 CO 0.14 0.39 0.11 -1.17 -0.92 0.00 0.00 175.35 173.90 1xke s LEU 17 N -0.05 4.01 -0.02 3.17 2.96 -0.88 -2.30 118.68 125.56 1xke s LEU 17 Ca 0.00 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1xke s LEU 17 Cb -0.13 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.14 1xke s LEU 17 CO 0.03 0.25 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.88 1xke s PHE 18 N -1.27 0.78 0.09 5.38 0.40 0.74 0.12 117.98 124.22 1xke s PHE 18 Ca 0.26 -0.19 0.09 0.00 -0.60 0.00 0.00 56.93 56.49 1xke s PHE 18 Cb -0.12 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1xke s PHE 18 CO 0.17 -0.09 -0.22 0.50 0.70 0.00 0.00 175.22 176.28 1xke s ARG 19 N 0.26 1.77 -0.33 0.44 3.52 0.96 -0.83 118.95 124.74 1xke s ARG 19 Ca -0.04 -1.15 -0.21 0.00 -0.13 0.00 0.00 55.73 54.20 1xke s ARG 19 Cb -0.08 -2.05 0.00 0.00 -1.56 0.00 0.00 34.95 31.25 1xke s ARG 19 CO 0.00 0.50 0.69 0.12 -0.81 0.00 0.00 175.30 175.80 1xke s PHE 20 N -1.00 3.17 -0.29 5.12 5.36 -0.50 0.42 117.98 130.27 1xke s PHE 20 Ca 0.15 0.54 -0.14 0.00 -0.96 0.00 0.00 56.93 56.51 1xke s PHE 20 Cb -0.10 -3.16 -0.03 0.00 -0.34 0.00 0.00 43.02 39.38 1xke s PHE 20 CO 0.06 -0.59 0.35 0.34 -1.46 0.00 0.00 175.22 173.92 1xke s ASP 21 N 1.73 6.20 0.34 6.13 -1.08 0.21 -4.79 116.67 125.41 1xke s ASP 21 Ca 0.27 0.13 0.10 0.00 -0.52 0.00 0.00 52.55 52.54 1xke s ASP 21 Cb -0.14 -2.20 0.60 0.00 -1.46 0.00 0.00 42.92 39.72 1xke s ASP 21 CO 0.14 -0.20 1.77 0.00 0.52 0.00 0.00 175.17 177.39 1xke h ALA 22 N 8.27 1.26 0.00 3.66 0.00 -1.91 0.73 119.26 131.26 1xke h ALA 22 Ca -0.32 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1xke h ALA 22 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xke h ALA 22 CO 0.64 0.54 -0.17 0.93 0.00 0.00 0.00 179.25 181.19 1xke h GLU 23 N 0.07 0.00 0.00 0.00 4.39 -1.94 -2.42 114.58 114.67 1xke h GLU 23 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xke h GLU 23 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1xke h GLU 23 CO 0.06 0.00 -0.85 0.28 -1.16 0.00 0.00 179.01 177.34 1xke n VAL 24 N -2.84 0.01 -2.75 3.13 0.31 -0.86 -4.92 118.33 110.41 1xke n VAL 24 Ca 0.04 -0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 64.20 1xke n VAL 24 Cb 0.51 0.72 -0.00 0.00 -0.91 0.00 0.00 33.84 34.16 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 -3.89 -3.81 4.52 7.64 0.20 -4.94 113.62 111.81 1xke n SER 25 Ca 0.04 0.01 -0.11 0.00 1.01 0.00 0.00 58.87 59.82 1xke n SER 25 Cb 0.34 -3.27 -0.08 0.00 -1.01 0.00 0.00 64.21 60.19 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 -5.36 0.69 -0.23 1.43 0.74 0.18 -4.89 119.66 112.22 1xke s GLN 26 Ca 0.13 -0.49 -0.29 0.00 0.05 0.00 0.00 55.36 54.76 1xke s GLN 26 Cb -0.07 0.29 -0.01 0.00 1.10 0.00 0.00 33.01 34.32 1xke s GLN 26 CO 0.17 -0.20 1.36 1.67 -0.55 0.00 0.00 175.29 177.73 1xke s TRP 27 N -2.18 2.61 0.01 1.67 -2.14 -1.26 0.63 118.94 118.29 1xke s TRP 27 Ca -0.08 0.83 0.07 0.00 2.66 0.00 0.00 56.10 59.58 1xke s TRP 27 Cb -0.03 -3.78 -0.02 0.00 -3.10 0.00 0.00 33.47 26.55 1xke s TRP 27 CO -0.02 -2.02 -0.21 0.21 -2.66 0.00 0.00 176.95 172.25 1xke s LYS 28 N 4.01 1.56 0.24 3.25 2.20 0.17 -4.89 119.74 126.27 1xke s LYS 28 Ca 0.59 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 1xke s LYS 28 Cb -0.21 -1.59 -0.10 0.00 -1.51 0.00 0.00 37.83 34.42 1xke s LYS 28 CO 0.21 0.42 1.51 -1.83 -0.36 0.00 0.00 175.35 175.31 1xke s GLU 29 N -0.85 4.22 0.00 4.03 -1.05 -1.26 -0.03 118.70 123.76 1xke s GLU 29 Ca 0.08 2.39 0.09 0.00 -0.15 0.00 0.00 54.97 57.38 1xke s GLU 29 Cb -0.08 -3.10 -0.23 0.00 -0.44 0.00 0.00 34.13 30.27 1xke s GLU 29 CO 0.01 -0.52 0.83 0.00 0.95 0.00 0.00 175.26 176.52 1xke h ARG 30 N 5.47 0.03 0.00 -4.83 2.47 0.67 -3.45 114.38 114.74 1xke h ARG 30 Ca -0.45 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 1xke h ARG 30 Cb 1.21 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1xke h ARG 30 CO 0.82 0.71 0.00 0.41 0.56 0.00 0.00 179.97 182.47 1xke n GLY 31 N 1.53 -0.17 3.05 0.04 0.00 -1.12 -4.95 105.19 103.57 1xke n GLY 31 Ca -0.13 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 2.28 0.00 0.99 2.01 -1.26 -2.08 118.68 120.62 1xke s LEU 32 Ca 0.00 -0.58 0.00 0.00 0.01 0.00 0.00 54.13 53.56 1xke s LEU 32 Cb 0.00 -0.09 0.00 0.00 0.01 0.00 0.00 46.19 46.11 1xke s LEU 32 CO 0.00 -0.26 0.00 0.61 1.01 0.00 0.00 176.35 177.71 1xke n GLY 33 N 1.35 -0.73 3.60 -3.19 0.00 0.26 -4.25 105.19 102.23 1xke n GLY 33 Ca -0.22 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 6.57 -0.25 1.61 2.47 0.63 0.69 114.94 126.66 1xke s ASN 34 Ca 0.00 0.50 -0.19 0.00 0.42 0.00 0.00 52.86 53.59 1xke s ASN 34 Cb 0.00 -2.37 -0.03 0.00 -1.45 0.00 0.00 41.25 37.40 1xke s ASN 34 CO 0.00 -0.58 0.55 -0.22 -3.72 0.00 0.00 177.10 173.13 1xke s LEU 35 N 2.83 4.06 0.07 3.21 2.96 0.25 -1.97 118.68 130.09 1xke s LEU 35 Ca 0.29 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1xke s LEU 35 Cb -0.14 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 1xke s LEU 35 CO 0.13 -0.30 -0.19 -1.59 -1.32 0.00 0.00 176.35 173.07 1xke s LYS 36 N 2.32 1.17 -0.16 1.98 -2.85 0.47 -0.04 119.74 122.62 1xke s LYS 36 Ca 0.23 -1.02 -0.04 0.00 -1.00 0.00 0.00 55.97 54.14 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 0.32 -0.04 0.42 0.10 0.00 0.00 175.35 176.24 1xke s ILE 37 N -1.01 3.85 -0.12 3.79 -1.09 -0.96 -1.07 121.20 124.59 1xke s ILE 37 Ca 0.05 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 1xke s ILE 37 Cb -0.09 -2.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1xke s ILE 37 CO 0.03 0.49 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.40 1xke s LEU 38 N 0.46 3.13 -0.18 2.97 1.43 0.34 -1.72 118.68 125.10 1xke s LEU 38 Ca -0.04 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1xke s LEU 38 Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1xke s LEU 38 CO 0.03 0.23 -0.13 -0.75 0.23 0.00 0.00 176.35 175.96 1xke s LYS 39 N -0.00 3.23 0.44 1.70 2.20 0.00 0.47 119.74 127.78 1xke s LYS 39 Ca -0.00 -0.72 -0.25 0.00 -0.36 0.00 0.00 55.97 54.64 1xke s LYS 39 Cb -0.14 -2.73 -0.08 0.00 -1.51 0.00 0.00 37.83 33.37 1xke s LYS 39 CO 0.03 -0.09 1.30 -0.80 -0.36 0.00 0.00 175.35 175.44 1xke s ASN 40 N 1.10 6.07 0.08 1.43 -0.87 -1.09 -1.03 114.94 120.63 1xke s ASN 40 Ca 0.00 2.65 0.26 0.00 -1.57 0.00 0.00 52.86 54.20 1xke s ASN 40 Cb -0.14 -2.63 0.79 0.00 -0.02 0.00 0.00 41.25 39.24 1xke s ASN 40 CO -0.04 -1.02 1.66 -0.62 -2.57 0.00 0.00 177.10 174.51 1xke n GLU 41 N -0.20 0.14 0.18 -0.60 -0.58 0.13 -2.17 120.64 117.54 1xke n GLU 41 Ca 0.05 0.08 0.14 0.00 -0.42 0.00 0.00 57.16 57.01 1xke n GLU 41 Cb 0.44 -1.62 0.48 0.00 -0.57 0.00 0.00 31.44 30.16 1xke n GLU 41 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1xke h VAL 42 N 0.00 0.00 -2.69 2.62 2.07 -1.91 -3.46 116.25 112.88 1xke h VAL 42 Ca 0.00 -0.48 -0.29 0.00 0.82 0.00 0.00 66.70 66.75 1xke h VAL 42 Cb 0.62 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1xke h VAL 42 CO 0.00 0.00 -0.40 -3.20 0.02 0.00 0.00 177.57 173.99 1xke n ASN 43 N -2.60 -4.64 0.00 0.57 2.85 -0.92 -4.65 115.26 105.86 1xke n ASN 43 Ca 0.03 -0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1xke n ASN 43 Cb 0.34 -3.65 0.00 0.00 1.24 0.00 0.00 39.78 37.71 1xke n ASN 43 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xke n GLY 44 N -1.15 1.39 3.43 8.20 0.00 -1.26 -5.01 105.19 110.79 1xke n GLY 44 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 1.67 0.19 1.61 3.01 -1.26 -5.02 119.74 119.94 1xke s LYS 45 Ca 0.00 -1.95 0.10 0.00 -1.01 0.00 0.00 55.97 53.11 1xke s LYS 45 Cb 0.00 -0.61 -0.04 0.00 -1.01 0.00 0.00 37.83 36.17 1xke s LYS 45 CO 0.00 -0.31 -0.17 -0.51 0.51 0.00 0.00 175.35 174.88 1xke s LEU 46 N -3.47 2.70 0.19 3.17 2.01 -1.26 -2.67 118.68 119.36 1xke s LEU 46 Ca 0.33 -0.74 0.11 0.00 0.01 0.00 0.00 54.13 53.85 1xke s LEU 46 Cb 0.07 -1.40 -0.04 0.00 0.01 0.00 0.00 46.19 44.82 1xke s LEU 46 CO 0.15 0.11 -0.24 -0.13 1.01 0.00 0.00 176.35 177.25 1xke s ARG 47 N -2.80 1.49 -0.17 1.70 1.81 0.18 -1.08 118.95 120.08 1xke s ARG 47 Ca 0.23 -1.50 0.00 0.00 -1.72 0.00 0.00 55.73 52.74 1xke s ARG 47 Cb -0.08 -1.81 0.03 0.00 -0.45 0.00 0.00 34.95 32.64 1xke s ARG 47 CO 0.13 0.39 -0.11 1.41 -0.68 0.00 0.00 175.30 176.43 1xke s MET 48 N -2.63 2.07 0.07 3.54 -2.45 0.29 -0.50 119.30 119.68 1xke s MET 48 Ca 0.20 -0.64 0.04 0.00 -1.25 0.00 0.00 55.69 54.03 1xke s MET 48 Cb -0.08 -2.18 -0.03 0.00 1.25 0.00 0.00 34.83 33.79 1xke s MET 48 CO 0.09 -0.33 -0.12 -0.48 1.05 0.00 0.00 175.02 175.24 1xke s LEU 49 N 1.48 2.31 -0.06 4.11 0.05 -0.23 -0.26 118.68 126.07 1xke s LEU 49 Ca 0.02 -0.66 0.00 0.00 0.05 0.00 0.00 54.13 53.55 1xke s LEU 49 Cb -0.14 -0.38 0.02 0.00 -2.05 0.00 0.00 46.19 43.64 1xke s LEU 49 CO -0.09 -0.16 -0.04 0.00 -0.55 0.00 0.00 176.35 175.51 1xke s MET 50 N -2.00 0.93 0.05 1.48 0.23 -1.03 -0.39 119.30 118.56 1xke s MET 50 Ca -0.02 -0.09 0.04 0.00 -1.03 0.00 0.00 55.69 54.59 1xke s MET 50 Cb -0.08 -1.02 -0.04 0.00 -1.53 0.00 0.00 34.83 32.16 1xke s MET 50 CO 0.01 -0.16 -0.02 0.50 -2.03 0.00 0.00 175.02 173.32 1xke s ARG 51 N 1.30 2.57 -0.23 3.16 3.52 -0.83 -0.36 118.95 128.07 1xke s ARG 51 Ca -0.05 -0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 54.63 1xke s ARG 51 Cb -0.14 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1xke s ARG 51 CO -0.02 0.57 0.37 1.03 -0.81 0.00 0.00 175.30 176.44 1xke s ARG 52 N -1.92 4.10 0.03 5.12 0.52 -0.72 -0.27 118.95 125.82 1xke s ARG 52 Ca 0.22 0.11 -0.20 0.00 -0.52 0.00 0.00 55.73 55.34 1xke s ARG 52 Cb -0.11 -3.58 -0.17 0.00 0.52 0.00 0.00 34.95 31.61 1xke s ARG 52 CO 0.14 -0.13 1.26 0.93 0.02 0.00 0.00 175.30 177.52 1xke h GLU 53 N 7.70 0.42 0.00 3.54 4.39 -1.89 0.58 114.58 129.32 1xke h GLU 53 Ca -0.34 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.01 1xke h GLU 53 Cb 1.16 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1xke h GLU 53 CO 0.69 0.90 -0.38 0.37 -1.16 0.00 0.00 179.01 179.43 1xke h GLN 54 N 0.00 0.00 -0.00 2.33 -0.00 -1.92 -2.51 115.11 113.01 1xke h GLN 54 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xke h GLN 54 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.39 1xke h GLN 54 CO 0.07 0.23 -0.11 0.28 0.00 0.00 0.00 178.83 179.30 1xke n VAL 55 N -3.11 0.00 -0.57 2.39 0.31 -1.10 -4.91 118.33 111.34 1xke n VAL 55 Ca 0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1xke n VAL 55 Cb 0.64 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 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 -0.88 0.58 -3.89 7.52 7.94 0.19 -4.87 117.00 123.59 1xke n LEU 56 Ca 0.15 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.75 1xke n LEU 56 Cb 0.28 -1.63 -0.15 0.00 0.53 0.00 0.00 43.42 42.44 1xke n LEU 56 CO 0.23 -0.57 -0.38 -0.75 -1.11 0.00 0.00 177.39 174.82 1xke s LYS 57 N -1.14 1.30 -0.36 1.96 2.47 -0.64 -4.85 119.74 118.47 1xke s LYS 57 Ca 0.00 -1.15 -0.33 0.00 -1.56 0.00 0.00 55.97 52.93 1xke s LYS 57 Cb 0.00 -2.53 -0.14 0.00 -1.46 0.00 0.00 37.83 33.70 1xke s LYS 57 CO 0.00 -0.77 1.20 1.55 0.16 0.00 0.00 175.35 177.49 1xke n VAL 58 N 4.66 0.00 -0.07 4.02 3.14 -1.26 -1.76 118.33 127.06 1xke n VAL 58 Ca -0.06 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.27 1xke n VAL 58 Cb 0.43 -0.36 -0.13 0.00 -1.06 0.00 0.00 33.84 32.73 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 -2.52 -0.28 -0.41 0.00 0.00 -1.21 -4.88 121.76 112.46 1xke s ALA 60 Ca -0.08 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1xke s ALA 60 Cb 0.06 -0.59 0.11 0.00 0.00 0.00 0.00 23.12 22.70 1xke s ALA 60 CO 0.66 -0.29 0.14 1.21 0.00 0.00 0.00 175.76 177.49 1xke s ASN 61 N 1.54 4.66 -0.01 0.00 2.47 -1.26 -2.47 114.94 119.87 1xke s ASN 61 Ca -0.05 -2.46 -0.02 0.00 0.42 0.00 0.00 52.86 50.74 1xke s ASN 61 Cb -0.12 -1.65 -0.04 0.00 -1.45 0.00 0.00 41.25 37.99 1xke s ASN 61 CO -0.06 -0.34 0.16 -1.00 -3.72 0.00 0.00 177.10 172.14 1xke s HIS 62 N 0.48 3.49 0.04 0.43 3.76 0.64 -1.26 115.29 122.86 1xke s HIS 62 Ca 0.13 0.32 -0.26 0.00 -0.15 0.00 0.00 55.06 55.10 1xke s HIS 62 Cb -0.22 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 1xke s HIS 62 CO -0.05 0.63 0.81 -1.58 -0.85 0.00 0.00 174.74 173.70 1xke s TRP 63 N -1.29 3.72 -0.33 1.40 0.51 -1.10 0.11 118.94 121.95 1xke s TRP 63 Ca 0.26 1.52 -0.09 0.00 -2.12 0.00 0.00 56.10 55.67 1xke s TRP 63 Cb -0.12 -2.88 0.01 0.00 -0.81 0.00 0.00 33.47 29.67 1xke s TRP 63 CO 0.17 0.22 0.15 -1.50 -0.51 0.00 0.00 176.95 175.48 1xke s ILE 64 N 0.15 4.34 0.10 2.03 -1.16 -0.25 -4.63 121.20 121.78 1xke s ILE 64 Ca 0.41 -0.71 -0.03 0.00 -0.51 0.00 0.00 60.65 59.81 1xke s ILE 64 Cb -0.21 -3.32 -0.03 0.00 0.61 0.00 0.00 42.46 39.52 1xke s ILE 64 CO 0.24 -0.06 0.08 0.28 -2.81 0.00 0.00 174.94 172.67 1xke s THR 65 N 1.54 0.14 -1.58 4.00 -1.32 -1.26 -3.99 115.64 113.17 1xke s THR 65 Ca 0.03 -1.69 0.24 0.00 -1.21 0.00 0.00 61.69 59.06 1xke s THR 65 Cb -0.18 -1.72 0.50 0.00 -1.51 0.00 0.00 72.50 69.59 1xke s THR 65 CO 0.05 -0.66 1.82 0.41 -2.21 0.00 0.00 174.62 174.03 1xke n THR 66 N -0.03 0.17 1.49 5.08 -1.04 -1.26 -1.99 114.28 116.69 1xke n THR 66 Ca -0.10 0.04 0.15 0.00 -2.04 0.00 0.00 64.05 62.10 1xke n THR 66 Cb 0.62 -0.64 0.71 0.00 -1.82 0.00 0.00 70.33 69.20 1xke n THR 66 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1xke n THR 67 N -1.21 0.00 -4.48 12.58 -1.04 -1.26 -4.70 114.28 114.17 1xke n THR 67 Ca 0.13 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.88 1xke n THR 67 Cb 0.16 -0.31 -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 -2.45 1.68 -0.01 -2.82 0.00 -0.84 -5.11 119.30 109.75 1xke s MET 68 Ca 0.31 -1.82 0.00 0.00 0.00 0.00 0.00 55.69 54.18 1xke s MET 68 Cb 0.20 -1.58 0.01 0.00 0.00 0.00 0.00 34.83 33.46 1xke s MET 68 CO 0.45 0.19 -0.01 1.21 0.00 0.00 0.00 175.02 176.87 1xke s ASN 69 N -3.52 0.22 -0.09 1.11 3.84 -1.26 -4.86 114.94 110.37 1xke s ASN 69 Ca 0.30 -0.02 -0.14 0.00 0.21 0.00 0.00 52.86 53.21 1xke s ASN 69 Cb -0.00 -0.06 -0.05 0.00 -0.55 0.00 0.00 41.25 40.59 1xke s ASN 69 CO 0.14 -0.01 0.33 -1.48 -2.79 0.00 0.00 177.10 173.29 1xke s LEU 70 N 0.25 4.36 -0.01 3.21 0.05 -1.26 -3.44 118.68 121.84 1xke s LEU 70 Ca -0.02 0.71 0.01 0.00 0.05 0.00 0.00 54.13 54.88 1xke s LEU 70 Cb -0.04 -2.44 -0.00 0.00 -2.05 0.00 0.00 46.19 41.66 1xke s LEU 70 CO -0.01 0.22 -0.05 -0.75 -0.55 0.00 0.00 176.35 175.22 1xke s LYS 71 N -0.32 0.43 0.43 1.48 2.20 0.15 -4.93 119.74 119.18 1xke s LYS 71 Ca 0.20 -0.16 -0.23 0.00 -0.36 0.00 0.00 55.97 55.42 1xke s LYS 71 Cb -0.14 -0.43 -0.09 0.00 -1.51 0.00 0.00 37.83 35.66 1xke s LYS 71 CO 0.08 0.09 1.04 -1.25 -0.36 0.00 0.00 175.35 174.94 1xke s PRO 72 N -0.00 4.06 0.62 4.03 0.04 -1.26 0.53 135.00 143.01 1xke s PRO 72 Ca 0.01 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 1xke s PRO 72 Cb -0.03 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1xke s PRO 72 CO -0.00 -0.22 1.03 -0.51 0.04 0.00 0.00 177.00 177.34 1xke s LEU 73 N -2.93 3.28 0.19 -3.56 1.43 -1.20 -4.84 118.68 111.06 1xke s LEU 73 Ca 0.61 1.50 -0.31 0.00 -1.03 0.00 0.00 54.13 54.89 1xke s LEU 73 Cb -0.19 -4.48 -0.11 0.00 0.03 0.00 0.00 46.19 41.44 1xke s LEU 73 CO 0.24 -0.94 1.58 -0.44 0.23 0.00 0.00 176.35 177.02 1xke s SER 74 N -3.88 6.54 0.00 2.29 0.01 -1.26 -1.94 113.70 115.45 1xke s SER 74 Ca 0.56 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.53 1xke s SER 74 Cb -0.12 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1xke s SER 74 CO 0.50 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1xke n GLY 75 N 3.47 3.26 3.90 3.44 0.00 -1.26 -4.98 105.19 113.02 1xke n GLY 75 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1xke n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xke s SER 76 N -0.95 6.47 -0.09 1.61 0.01 -0.82 -4.97 113.70 114.96 1xke s SER 76 Ca 0.00 0.52 -0.00 0.00 1.31 0.00 0.00 55.95 57.78 1xke s SER 76 Cb 0.00 -2.06 -0.06 0.00 0.21 0.00 0.00 66.02 64.11 1xke s SER 76 CO 0.00 0.11 -0.09 -0.90 0.41 0.00 0.00 173.24 172.78 1xke n ASP 77 N 0.31 2.87 0.00 2.44 5.75 -1.26 -4.44 116.55 122.22 1xke n ASP 77 Ca -0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1xke n ASP 77 Cb 0.52 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1xke n ASP 77 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xke n ARG 78 N -2.87 1.15 -4.36 0.11 1.74 -1.26 -4.94 116.66 106.23 1xke n ARG 78 Ca -0.16 -0.87 -0.34 0.00 -0.77 0.00 0.00 57.85 55.70 1xke n ARG 78 Cb 0.66 -0.77 -0.11 0.00 -1.02 0.00 0.00 32.46 31.22 1xke n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xke s ALA 79 N -0.42 3.14 0.12 7.54 0.00 -1.26 -3.91 121.76 126.97 1xke s ALA 79 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1xke s ALA 79 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1xke s ALA 79 CO 0.00 0.34 0.00 -1.58 0.00 0.00 0.00 175.76 174.52 1xke s TRP 80 N -0.07 0.91 0.05 0.00 0.52 -1.21 -3.23 118.94 115.91 1xke s TRP 80 Ca 0.03 -1.08 0.06 0.00 0.02 0.00 0.00 56.10 55.13 1xke s TRP 80 Cb -0.13 -0.54 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 1xke s TRP 80 CO 0.02 -0.33 -0.18 0.00 0.02 0.00 0.00 176.95 176.48 1xke s MET 81 N -3.94 1.15 0.04 4.98 0.23 0.19 -2.19 119.30 119.75 1xke s MET 81 Ca 0.19 -0.89 0.02 0.00 -1.03 0.00 0.00 55.69 53.98 1xke s MET 81 Cb 0.07 -1.23 -0.02 0.00 -1.53 0.00 0.00 34.83 32.11 1xke s MET 81 CO -0.01 0.31 -0.07 1.67 -2.03 0.00 0.00 175.02 174.89 1xke s TRP 82 N -0.88 0.64 -0.21 3.16 -2.14 -0.11 0.30 118.94 119.70 1xke s TRP 82 Ca 0.05 -0.53 -0.07 0.00 2.66 0.00 0.00 56.10 58.20 1xke s TRP 82 Cb -0.09 -0.38 -0.04 0.00 -3.10 0.00 0.00 33.47 29.86 1xke s TRP 82 CO 0.02 -0.10 0.07 -0.48 -2.66 0.00 0.00 176.95 173.80 1xke s LEU 83 N -1.66 3.67 0.10 -4.66 2.34 -1.22 -1.93 118.68 115.31 1xke s LEU 83 Ca -0.09 -0.04 -0.05 0.00 0.06 0.00 0.00 54.13 54.01 1xke s LEU 83 Cb -0.09 -1.95 -0.02 0.00 -0.56 0.00 0.00 46.19 43.57 1xke s LEU 83 CO -0.00 0.08 0.11 0.00 -1.06 0.00 0.00 176.35 175.49 1xke s ALA 84 N 0.91 0.22 -0.29 1.48 0.00 0.28 -4.64 121.76 119.72 1xke s ALA 84 Ca 0.04 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.78 1xke s ALA 84 Cb -0.14 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 1xke s ALA 84 CO 0.03 -0.48 0.76 -1.54 0.00 0.00 0.00 175.76 174.52 1xke s SER 85 N -2.93 6.66 0.20 0.00 1.04 -1.25 0.21 113.70 117.63 1xke s SER 85 Ca 0.11 0.70 -0.13 0.00 0.48 0.00 0.00 55.95 57.11 1xke s SER 85 Cb 0.06 -2.39 -0.07 0.00 0.10 0.00 0.00 66.02 63.71 1xke s SER 85 CO -0.07 -0.55 0.58 -0.62 0.98 0.00 0.00 173.24 173.56 1xke s ASP 86 N 1.56 6.77 0.00 7.02 2.15 -0.09 -2.73 116.67 131.34 1xke s ASP 86 Ca 0.31 1.07 0.00 0.00 0.43 0.00 0.00 52.55 54.36 1xke s ASP 86 Cb -0.15 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1xke s ASP 86 CO 0.11 0.00 0.00 0.33 -0.17 0.00 0.00 175.17 175.44 1xke n PHE 87 N 0.34 0.00 -0.08 -5.34 7.35 -0.39 -2.42 117.46 116.91 1xke n PHE 87 Ca -0.02 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.61 1xke n PHE 87 Cb 0.52 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.48 1xke n PHE 87 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1xke h SER 88 N 0.00 0.75 0.00 -2.13 0.87 -1.84 -3.42 113.55 107.78 1xke h SER 88 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1xke h SER 88 Cb 0.00 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1xke h SER 88 CO 0.00 0.90 0.00 -0.67 -0.53 0.00 0.00 176.83 176.53 1xke n ASP 89 N -4.15 0.00 0.00 6.23 2.03 -1.26 -5.00 116.55 114.39 1xke n ASP 89 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1xke n ASP 89 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 0.00 0.03 2.83 0.27 0.00 -1.26 -5.03 105.19 102.02 1xke n GLY 90 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1xke n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xke s ASP 91 N -2.49 1.09 -0.59 1.61 2.15 -1.26 -5.06 116.67 112.12 1xke s ASP 91 Ca 0.00 -0.09 -0.18 0.00 0.43 0.00 0.00 52.55 52.71 1xke s ASP 91 Cb 0.00 -0.40 0.12 0.00 -0.30 0.00 0.00 42.92 42.34 1xke s ASP 91 CO 0.00 -0.12 0.65 0.00 -0.17 0.00 0.00 175.17 175.53 1xke s ALA 92 N 1.34 3.53 0.15 3.66 0.00 -1.25 -3.38 121.76 125.82 1xke s ALA 92 Ca -0.05 -2.41 0.01 0.00 0.00 0.00 0.00 51.96 49.51 1xke s ALA 92 Cb -0.13 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1xke s ALA 92 CO -0.02 -2.25 0.02 0.21 0.00 0.00 0.00 175.76 173.72 1xke s LYS 93 N 2.18 1.03 -0.21 0.00 2.20 -1.02 -5.00 119.74 118.93 1xke s LYS 93 Ca 0.09 -1.49 -0.07 0.00 -0.36 0.00 0.00 55.97 54.14 1xke s LYS 93 Cb -0.25 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 35.97 1xke s LYS 93 CO 0.04 -0.18 0.07 -0.48 -0.36 0.00 0.00 175.35 174.44 1xke s LEU 94 N -3.12 3.69 0.03 5.43 2.34 -1.26 -0.92 118.68 124.87 1xke s LEU 94 Ca 0.24 -0.02 0.01 0.00 0.06 0.00 0.00 54.13 54.41 1xke s LEU 94 Cb 0.07 -1.96 -0.02 0.00 -0.56 0.00 0.00 46.19 43.72 1xke s LEU 94 CO 0.03 0.10 -0.04 -0.70 -1.06 0.00 0.00 176.35 174.67 1xke s GLU 95 N 0.83 0.37 -0.33 1.48 2.56 0.13 -4.91 118.70 118.84 1xke s GLU 95 Ca 0.04 -0.65 -0.12 0.00 0.00 0.00 0.00 54.97 54.23 1xke s GLU 95 Cb -0.14 -0.01 -0.02 0.00 2.00 0.00 0.00 34.13 35.96 1xke s GLU 95 CO 0.02 -0.02 0.23 -0.65 -0.56 0.00 0.00 175.26 174.28 1xke s GLN 96 N -1.48 3.58 0.25 4.30 1.11 -1.26 -0.56 119.66 125.60 1xke s GLN 96 Ca -0.14 -0.58 0.11 0.00 0.01 0.00 0.00 55.36 54.75 1xke s GLN 96 Cb -0.10 -3.77 -0.05 0.00 -1.01 0.00 0.00 33.01 28.08 1xke s GLN 96 CO -0.01 -0.39 -0.19 -0.48 0.01 0.00 0.00 175.29 174.24 1xke s LEU 97 N 1.73 2.56 0.06 2.90 -0.00 -0.81 -1.40 118.68 123.71 1xke s LEU 97 Ca 0.06 -1.01 0.02 0.00 -0.00 0.00 0.00 54.13 53.20 1xke s LEU 97 Cb -0.17 -0.97 -0.03 0.00 -0.00 0.00 0.00 46.19 45.02 1xke s LEU 97 CO 0.11 -0.02 -0.07 0.00 -0.00 0.00 0.00 176.35 176.36 1xke s ALA 98 N -2.57 0.68 -0.04 1.48 0.00 -0.01 -0.93 121.76 120.37 1xke s ALA 98 Ca 0.27 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 1xke s ALA 98 Cb -0.04 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1xke s ALA 98 CO 0.12 -0.10 0.13 0.00 0.00 0.00 0.00 175.76 175.91 1xke s ALA 99 N -2.12 -0.31 0.02 0.00 0.00 -0.93 -0.18 121.76 118.23 1xke s ALA 99 Ca -0.03 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.21 1xke s ALA 99 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1xke s ALA 99 CO -0.01 -0.09 -0.05 -1.59 0.00 0.00 0.00 175.76 174.02 1xke s LYS 100 N -0.18 0.36 0.49 0.00 -2.85 -0.97 -3.30 119.74 113.28 1xke s LYS 100 Ca -0.03 -0.40 0.05 0.00 -1.00 0.00 0.00 55.97 54.59 1xke s LYS 100 Cb -0.02 -0.20 0.02 0.00 -2.06 0.00 0.00 37.83 35.57 1xke s LYS 100 CO 0.00 0.04 0.67 -0.06 0.10 0.00 0.00 175.35 176.11 1xke s PHE 101 N -0.72 2.77 0.17 1.78 0.40 -1.26 -1.11 117.98 120.02 1xke s PHE 101 Ca -0.05 -0.24 -0.19 0.00 -0.60 0.00 0.00 56.93 55.85 1xke s PHE 101 Cb -0.05 -2.55 0.11 0.00 0.51 0.00 0.00 43.02 41.03 1xke s PHE 101 CO -0.00 -0.66 1.63 0.87 0.70 0.00 0.00 175.22 177.75 1xke h LYS 102 N 0.36 -0.13 -4.96 0.44 1.57 -1.93 -3.43 116.57 108.50 1xke h LYS 102 Ca -0.41 0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.06 1xke h LYS 102 Cb 1.29 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.48 1xke h LYS 102 CO 0.48 -0.08 -0.68 0.95 -0.57 0.00 0.00 179.45 179.55 1xke s THR 103 N -6.13 0.92 -0.88 -0.16 -4.23 -1.26 -5.01 115.64 98.90 1xke s THR 103 Ca -0.14 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.37 1xke s THR 103 Cb 0.15 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.90 1xke s THR 103 CO 0.70 -0.51 1.02 -2.65 -0.54 0.00 0.00 174.62 172.64 1xke n PRO 104 N -0.28 0.01 0.07 3.99 -0.02 -1.26 -0.05 135.00 137.45 1xke n PRO 104 Ca -0.07 0.48 -0.12 0.00 -2.02 0.00 0.00 63.50 61.77 1xke n PRO 104 Cb 0.63 -1.57 -0.08 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.21 -0.08 -0.52 4.81 -1.95 0.62 114.58 117.24 1xke h GLU 105 Ca 0.00 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 1xke h GLU 105 Cb 0.06 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1xke h GLU 105 CO 0.00 0.20 -0.86 -0.07 -0.73 0.00 0.00 179.01 177.55 1xke h LEU 106 N -0.75 0.80 -0.15 1.64 -0.00 -1.54 -0.78 115.31 114.52 1xke h LEU 106 Ca -0.02 -0.57 -0.02 0.00 -0.00 0.00 0.00 57.88 57.27 1xke h LEU 106 Cb 0.52 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1xke h LEU 106 CO 0.04 1.36 -0.00 0.00 -0.00 0.00 0.00 178.44 179.83 1xke h ALA 107 N 0.61 0.20 -0.06 1.53 0.00 -0.55 -2.65 119.26 118.34 1xke h ALA 107 Ca -0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1xke h ALA 107 Cb 1.49 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1xke h ALA 107 CO 0.17 -0.09 -0.10 1.49 0.00 0.00 0.00 179.25 180.71 1xke h GLU 108 N 0.00 0.18 -0.53 0.00 4.81 0.40 -1.22 114.58 118.22 1xke h GLU 108 Ca 0.04 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1xke h GLU 108 Cb 0.38 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1xke h GLU 108 CO 0.01 0.67 0.31 0.93 -0.73 0.00 0.00 179.01 180.20 1xke h GLU 109 N -0.29 0.60 -0.10 1.92 4.39 -1.22 -0.75 114.58 119.13 1xke h GLU 109 Ca 0.01 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 1xke h GLU 109 Cb 0.66 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1xke h GLU 109 CO 0.02 0.39 -0.64 0.74 -1.16 0.00 0.00 179.01 178.37 1xke h PHE 110 N 0.61 0.49 0.03 4.33 -1.00 -1.52 -1.41 116.94 118.48 1xke h PHE 110 Ca 0.22 -0.20 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1xke h PHE 110 Cb 0.04 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.52 1xke h PHE 110 CO -0.07 0.91 -0.02 -0.22 -1.61 0.00 0.00 178.31 177.30 1xke h LYS 111 N 0.27 -0.04 -0.38 1.51 3.11 -0.37 0.38 116.57 121.04 1xke h LYS 111 Ca -0.01 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.88 1xke h LYS 111 Cb 1.18 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.38 1xke h LYS 111 CO 0.11 -0.02 0.13 1.96 -2.81 0.00 0.00 179.45 178.81 1xke h GLN 112 N -0.05 0.27 -0.14 1.90 1.08 -1.15 -1.30 115.11 115.72 1xke h GLN 112 Ca -0.00 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1xke h GLN 112 Cb 0.04 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1xke h GLN 112 CO 0.01 0.18 -0.19 -0.22 -0.95 0.00 0.00 178.83 177.66 1xke h LYS 113 N 0.28 0.23 0.22 1.46 3.64 -0.73 -1.66 116.57 120.00 1xke h LYS 113 Ca 0.18 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1xke h LYS 113 Cb 0.16 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1xke h LYS 113 CO -0.19 0.41 -0.10 0.74 -2.27 0.00 0.00 179.45 178.04 1xke h PHE 114 N 0.21 -0.27 -0.51 1.91 0.04 0.90 0.44 116.94 119.66 1xke h PHE 114 Ca 0.04 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1xke h PHE 114 Cb 0.46 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1xke h PHE 114 CO 0.01 -0.01 0.02 1.05 -0.60 0.00 0.00 178.31 178.77 1xke h GLU 115 N -0.51 0.85 -0.18 1.51 4.11 -1.38 -0.48 114.58 118.50 1xke h GLU 115 Ca -0.03 -0.23 -0.03 0.00 0.07 0.00 0.00 59.36 59.14 1xke h GLU 115 Cb 0.38 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1xke h GLU 115 CO 0.05 0.84 0.01 1.49 0.07 0.00 0.00 179.01 181.47 1xke h GLU 116 N 0.80 0.32 -0.30 1.06 4.57 -1.09 -2.67 114.58 117.26 1xke h GLU 116 Ca 0.16 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1xke h GLU 116 Cb 0.45 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1xke h GLU 116 CO 0.02 0.52 0.20 0.00 -1.18 0.00 0.00 179.01 178.57 1xke h GLN 118 N 0.31 -0.08 -0.02 0.00 4.20 -0.72 0.29 115.11 119.09 1xke h GLN 118 Ca 0.12 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1xke h GLN 118 Cb 0.11 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1xke h GLN 118 CO -0.03 -0.05 -0.14 0.00 -0.67 0.00 0.00 178.83 177.94 1xke h ARG 119 N -0.08 0.14 -0.04 1.46 -0.00 -1.32 -3.39 114.38 111.14 1xke h ARG 119 Ca 0.11 -0.12 -0.12 0.00 -0.50 0.00 0.00 59.98 59.35 1xke h ARG 119 Cb 0.24 0.03 0.01 0.00 0.00 0.00 0.00 29.97 30.24 1xke h ARG 119 CO -0.25 0.79 -0.43 -0.07 0.00 0.00 0.00 179.97 180.01 1xke h LEU 120 N -0.48 0.45 -2.68 3.04 4.07 -0.30 -3.34 115.31 116.06 1xke h LEU 120 Ca -0.01 -0.70 -0.00 0.00 0.08 0.00 0.00 57.88 57.24 1xke h LEU 120 Cb 0.83 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 1xke h LEU 120 CO 0.03 1.09 -0.01 0.25 -1.08 0.00 0.00 178.44 178.72 1xke h LEU 121 N -0.14 0.00 -0.16 1.67 5.85 -0.61 0.18 115.31 122.10 1xke h LEU 121 Ca -0.04 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 1xke h LEU 121 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1xke h LEU 121 CO 0.09 0.01 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.66 1xke h LEU 122 N 0.00 0.69 0.00 2.25 3.38 -1.74 -3.38 115.31 116.52 1xke h LEU 122 Ca -0.00 -0.59 -0.33 0.00 0.09 0.00 0.00 57.88 57.05 1xke h LEU 122 Cb 0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1xke h LEU 122 CO 0.00 1.16 -2.04 -0.67 0.09 0.00 0.00 178.44 176.98 1xke n ASP 123 N -4.21 0.56 -4.74 -0.43 2.03 0.60 -4.92 116.55 105.43 1xke n ASP 123 Ca -0.07 0.21 -0.41 0.00 0.52 0.00 0.00 54.79 55.04 1xke n ASP 123 Cb 0.58 0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 41.31 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 -2.55 3.41 0.16 5.18 -5.25 -0.89 -5.01 121.20 116.27 1xke s ILE 124 Ca -0.08 1.22 -0.30 0.00 -0.99 0.00 0.00 60.65 60.49 1xke s ILE 124 Cb 0.07 -3.78 -0.08 0.00 2.95 0.00 0.00 42.46 41.62 1xke s ILE 124 CO 0.82 0.21 1.30 -2.84 -1.79 0.00 0.00 174.94 172.64 1xke s PRO 125 N -0.43 4.39 0.49 0.37 0.02 -1.26 -4.93 135.00 133.65 1xke s PRO 125 Ca 0.53 2.01 0.16 0.00 0.02 0.00 0.00 61.00 63.72 1xke s PRO 125 Cb -0.34 -3.23 1.19 0.00 0.02 0.00 0.00 34.50 32.14 1xke s PRO 125 CO 0.39 -0.28 2.09 1.25 -0.33 0.00 0.00 177.00 180.12 1xke h LEU 126 N 5.84 0.00 -7.20 -5.54 5.85 -1.94 -3.08 115.31 109.23 1xke h LEU 126 Ca -0.44 0.00 -0.72 0.00 0.84 0.00 0.00 57.88 57.57 1xke h LEU 126 Cb 1.21 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.13 1xke h LEU 126 CO 0.79 0.08 2.09 0.00 -0.34 0.00 0.00 178.44 181.07 1xke n GLN 127 N -4.40 3.27 -3.24 1.25 1.13 -1.26 -4.95 117.38 109.17 1xke n GLN 127 Ca -0.03 -3.37 -0.38 0.00 -1.94 0.00 0.00 57.00 51.28 1xke n GLN 127 Cb 0.16 -3.21 -0.06 0.00 0.11 0.00 0.00 30.24 27.24 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 2.51 5.11 0.62 5.09 2.01 -1.17 -5.07 115.64 124.75 1xke s THR 128 Ca 0.47 1.10 -0.16 0.00 0.31 0.00 0.00 61.69 63.41 1xke s THR 128 Cb 0.05 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1xke s THR 128 CO 0.01 0.33 1.11 -2.16 -0.69 0.00 0.00 174.62 173.22 1xke s PRO 129 N 0.50 3.02 0.00 4.92 0.04 -1.26 -5.17 135.00 137.04 1xke s PRO 129 Ca 0.29 1.43 0.22 0.00 0.04 0.00 0.00 61.00 62.98 1xke s PRO 129 Cb -0.16 -1.98 0.17 0.00 0.04 0.00 0.00 34.50 32.58 1xke s PRO 129 CO 0.13 -1.09 1.20 1.17 0.04 0.00 0.00 177.00 178.45