#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekx s SER 2 N 0.00 2.06 -0.15 1.61 0.01 -1.26 -5.16 113.70 110.81 2ekx s SER 2 Ca 0.00 -1.16 -0.30 0.00 1.31 0.00 0.00 55.95 55.81 2ekx s SER 2 Cb 0.00 -0.04 0.11 0.00 0.21 0.00 0.00 66.02 66.30 2ekx s SER 2 CO 0.00 -0.42 0.90 -0.55 0.41 0.00 0.00 173.24 173.58 2ekx s SER 3 N -3.31 -0.48 0.00 2.44 0.15 -1.26 -5.18 113.70 106.07 2ekx s SER 3 Ca 0.26 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2ekx s SER 3 Cb 0.04 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2ekx s SER 3 CO 0.07 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2ekx n GLY 4 N 1.02 0.67 3.65 9.45 0.00 -1.26 -5.15 105.19 113.57 2ekx n GLY 4 Ca -0.13 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 2ekx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ekx n SER 5 N -0.03 0.76 -3.74 1.61 3.41 -1.26 -5.04 113.62 109.33 2ekx n SER 5 Ca 0.00 0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 59.12 2ekx n SER 5 Cb 0.00 -1.46 -0.12 0.00 -0.26 0.00 0.00 64.21 62.37 2ekx n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ekx s SER 6 N -1.84 -0.32 0.00 4.04 0.15 -1.26 -5.14 113.70 109.33 2ekx s SER 6 Ca 0.74 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2ekx s SER 6 Cb -0.32 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2ekx s SER 6 CO 0.50 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2ekx n GLY 7 N 3.72 -1.17 0.65 9.45 0.00 -1.26 -5.05 105.19 111.54 2ekx n GLY 7 Ca -0.20 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2ekx n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ekx n LEU 8 N 0.00 0.64 -0.36 0.99 4.77 -1.26 -4.81 117.00 116.98 2ekx n LEU 8 Ca 0.00 0.00 0.26 0.00 -0.03 0.00 0.00 56.01 56.24 2ekx n LEU 8 Cb 0.00 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.60 2ekx n LEU 8 CO 0.00 -0.02 1.18 0.44 -1.33 0.00 0.00 177.39 177.66 2ekx h ASP 9 N 0.00 0.46 -0.62 -1.43 3.32 -1.97 0.67 116.42 116.85 2ekx h ASP 9 Ca 0.00 0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.31 2ekx h ASP 9 Cb 0.36 0.08 -0.12 0.00 0.22 0.00 0.00 39.33 39.87 2ekx h ASP 9 CO 0.00 -0.05 -0.19 -0.78 -1.72 0.00 0.00 179.24 176.51 2ekx h ASP 10 N 0.33 -0.68 -3.19 6.45 1.82 -1.94 -3.41 116.42 115.79 2ekx h ASP 10 Ca 0.70 0.19 -0.43 0.00 -0.39 0.00 0.00 57.03 57.11 2ekx h ASP 10 Cb 1.76 0.42 0.21 0.00 0.68 0.00 0.00 39.33 42.41 2ekx h ASP 10 CO -0.45 -0.23 -0.02 -0.31 -1.61 0.00 0.00 179.24 176.62 2ekx s TYR 11 N -6.20 1.03 -0.22 0.28 2.02 0.23 -5.01 117.35 109.48 2ekx s TYR 11 Ca -0.14 1.04 -0.16 0.00 -0.37 0.00 0.00 57.07 57.44 2ekx s TYR 11 Cb 0.19 -3.06 -0.09 0.00 -0.40 0.00 0.00 41.96 38.60 2ekx s TYR 11 CO 0.73 -4.11 -0.35 -0.25 -1.57 0.00 0.00 175.55 170.00 2ekx n ASP 12 N -5.07 1.93 -0.45 2.29 8.00 -1.26 -4.45 116.55 117.54 2ekx n ASP 12 Ca 0.04 0.33 0.37 0.00 0.71 0.00 0.00 54.79 56.24 2ekx n ASP 12 Cb 0.55 -0.77 0.67 0.00 -0.02 0.00 0.00 41.12 41.55 2ekx n ASP 12 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2ekx h TRP 13 N -0.99 0.41 -1.50 1.24 5.08 -1.85 -3.34 115.95 115.00 2ekx h TRP 13 Ca -0.31 0.02 -0.43 0.00 1.08 0.00 0.00 58.89 59.25 2ekx h TRP 13 Cb 1.27 -0.10 -0.04 0.00 -3.00 0.00 0.00 29.16 27.28 2ekx h TRP 13 CO -0.27 -0.11 1.12 0.12 -1.28 0.00 0.00 178.44 178.01 2ekx s PHE 14 N -5.22 1.76 0.07 0.12 5.36 -1.26 -1.50 117.98 117.30 2ekx s PHE 14 Ca -0.07 0.66 -0.09 0.00 -0.96 0.00 0.00 56.93 56.47 2ekx s PHE 14 Cb 0.28 -4.10 -0.28 0.00 -0.34 0.00 0.00 43.02 38.57 2ekx s PHE 14 CO 0.83 -2.08 1.12 0.00 -1.46 0.00 0.00 175.22 173.62 2ekx h ALA 15 N 13.30 0.04 0.00 11.12 0.00 -1.56 -3.46 119.26 138.70 2ekx h ALA 15 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2ekx h ALA 15 Cb 1.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ekx h ALA 15 CO 1.22 0.83 0.00 0.41 0.00 0.00 0.00 179.25 181.72 2ekx n GLY 16 N 1.50 -1.13 3.65 0.00 0.00 -1.12 -4.92 105.19 103.17 2ekx n GLY 16 Ca -0.11 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 2ekx n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ekx s ASN 17 N -4.00 6.35 0.06 1.61 0.01 -1.26 -2.98 114.94 114.73 2ekx s ASN 17 Ca 0.00 2.56 -0.07 0.00 -0.71 0.00 0.00 52.86 54.63 2ekx s ASN 17 Cb 0.00 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 2ekx s ASN 17 CO 0.00 -1.15 0.14 0.27 -1.51 0.00 0.00 177.10 174.85 2ekx s ILE 18 N 4.87 0.14 -0.01 0.60 -4.36 -1.26 -4.96 121.20 116.21 2ekx s ILE 18 Ca 0.89 -1.13 -0.03 0.00 -0.26 0.00 0.00 60.65 60.11 2ekx s ILE 18 Cb -0.41 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 2ekx s ILE 18 CO 0.40 -0.62 0.20 -0.44 0.24 0.00 0.00 174.94 174.71 2ekx s SER 19 N -2.43 6.39 0.28 4.36 0.01 -1.26 -4.83 113.70 116.22 2ekx s SER 19 Ca -0.01 0.39 0.13 0.00 1.31 0.00 0.00 55.95 57.77 2ekx s SER 19 Cb 0.02 -2.02 0.95 0.00 0.21 0.00 0.00 66.02 65.17 2ekx s SER 19 CO -0.07 0.26 1.23 -1.14 0.41 0.00 0.00 173.24 173.93 2ekx n ARG 20 N 1.00 -0.05 -0.07 12.44 0.63 -1.26 0.21 116.66 129.56 2ekx n ARG 20 Ca -0.11 1.09 -0.11 0.00 -0.92 0.00 0.00 57.85 57.80 2ekx n ARG 20 Cb 0.53 -1.91 -0.05 0.00 0.45 0.00 0.00 32.46 31.48 2ekx n ARG 20 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2ekx h SER 21 N 0.00 0.37 0.62 6.15 4.64 -1.99 -2.59 113.55 120.76 2ekx h SER 21 Ca 0.62 -0.30 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 2ekx h SER 21 Cb 1.57 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.57 2ekx h SER 21 CO -0.63 0.58 -0.30 1.56 -0.87 0.00 0.00 176.83 177.17 2ekx h GLN 22 N 0.16 -0.81 -0.93 4.77 7.50 0.20 0.16 115.11 126.16 2ekx h GLN 22 Ca 0.06 0.06 0.27 0.00 0.50 0.00 0.00 58.65 59.54 2ekx h GLN 22 Cb 0.38 0.18 -0.16 0.00 0.05 0.00 0.00 27.48 27.94 2ekx h GLN 22 CO 0.01 -0.50 0.19 0.66 -1.50 0.00 0.00 178.83 177.69 2ekx h SER 23 N -1.13 -0.15 0.20 1.46 4.64 -0.90 0.45 113.55 118.13 2ekx h SER 23 Ca -0.09 0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 2ekx h SER 23 Cb 0.68 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2ekx h SER 23 CO 0.14 -0.26 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.41 2ekx h GLU 24 N 0.11 -0.27 -0.89 4.77 5.08 -1.42 -3.02 114.58 118.94 2ekx h GLU 24 Ca 0.60 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 59.15 2ekx h GLU 24 Cb 1.27 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 30.41 2ekx h GLU 24 CO -0.77 0.09 -0.23 0.37 -1.00 0.00 0.00 179.01 177.48 2ekx h GLN 25 N -0.94 -0.00 0.04 2.33 4.15 0.57 0.38 115.11 121.64 2ekx h GLN 25 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2ekx h GLN 25 Cb 0.48 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 2ekx h GLN 25 CO 0.05 -0.00 -0.03 -0.07 -1.93 0.00 0.00 178.83 176.85 2ekx h LEU 26 N -0.00 -0.07 -0.99 -2.39 3.38 -1.05 -2.12 115.31 112.07 2ekx h LEU 26 Ca 0.42 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.53 2ekx h LEU 26 Cb 0.65 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.27 2ekx h LEU 26 CO -0.92 -0.04 -0.43 0.18 0.09 0.00 0.00 178.44 177.31 2ekx n LEU 27 N -2.30 -0.74 -0.15 1.67 4.77 -0.86 -0.64 117.00 118.75 2ekx n LEU 27 Ca -0.01 1.73 -0.11 0.00 -0.03 0.00 0.00 56.01 57.59 2ekx n LEU 27 Cb 0.03 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 2ekx n LEU 27 CO 0.02 -1.52 0.54 0.03 -1.33 0.00 0.00 177.39 175.13 2ekx h ARG 28 N 0.00 -0.32 -0.88 3.23 3.08 -0.90 -0.45 114.38 118.14 2ekx h ARG 28 Ca 0.30 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.55 2ekx h ARG 28 Cb 0.54 0.07 -0.17 0.00 0.08 0.00 0.00 29.97 30.50 2ekx h ARG 28 CO -0.97 -0.21 -0.21 1.96 -1.07 0.00 0.00 179.97 179.47 2ekx h GLN 29 N -0.33 0.00 -0.65 0.04 1.08 -0.17 0.40 115.11 115.49 2ekx h GLN 29 Ca 0.12 -0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.45 2ekx h GLN 29 Cb 0.58 -0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.92 2ekx h GLN 29 CO -0.62 0.00 0.11 -0.22 -0.95 0.00 0.00 178.83 177.15 2ekx h LYS 30 N 0.00 0.22 -4.65 1.46 1.63 -0.75 -3.45 116.57 111.03 2ekx h LYS 30 Ca 0.43 -0.01 -0.37 0.00 -0.85 0.00 0.00 60.65 59.84 2ekx h LYS 30 Cb 0.66 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 2ekx h LYS 30 CO -0.91 0.14 -0.54 0.41 -3.45 0.00 0.00 179.45 175.10 2ekx n GLY 31 N -1.34 -0.50 2.93 5.01 0.00 0.14 -4.93 105.19 106.49 2ekx n GLY 31 Ca 0.11 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2ekx n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ekx s LYS 32 N -5.68 2.08 -0.63 1.61 -0.14 -1.26 -5.05 119.74 110.67 2ekx s LYS 32 Ca 0.28 -2.79 -0.33 0.00 -1.36 0.00 0.00 55.97 51.76 2ekx s LYS 32 Cb -0.13 -3.31 -0.18 0.00 -1.68 0.00 0.00 37.83 32.53 2ekx s LYS 32 CO 0.34 -1.16 2.08 -0.85 -0.76 0.00 0.00 175.35 175.00 2ekx n GLU 33 N 2.83 0.00 0.00 1.68 0.28 -1.26 -1.17 120.64 123.00 2ekx n GLU 33 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2ekx n GLU 33 Cb 0.33 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 31.89 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ekx n GLY 34 N 6.17 1.31 3.04 -1.84 0.00 -0.84 -4.92 105.19 108.10 2ekx n GLY 34 Ca 0.52 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 2ekx n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekx n ALA 35 N 0.00 -5.20 -3.42 4.61 0.00 -0.32 -1.53 120.51 114.64 2ekx n ALA 35 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 2ekx n ALA 35 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 2ekx n ALA 35 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2ekx s PHE 36 N -2.03 -0.55 0.10 0.00 -0.71 -0.25 -2.04 117.98 112.51 2ekx s PHE 36 Ca 0.42 0.56 -0.25 0.00 -1.04 0.00 0.00 56.93 56.62 2ekx s PHE 36 Cb -0.19 0.48 0.07 0.00 -1.21 0.00 0.00 43.02 42.17 2ekx s PHE 36 CO 0.81 -0.75 0.62 0.00 -1.34 0.00 0.00 175.22 174.56 2ekx s MET 37 N -2.88 1.22 -0.18 1.99 0.23 -0.04 0.11 119.30 119.76 2ekx s MET 37 Ca -0.03 -0.28 0.01 0.00 -1.03 0.00 0.00 55.69 54.36 2ekx s MET 37 Cb -0.01 0.57 0.03 0.00 -1.53 0.00 0.00 34.83 33.89 2ekx s MET 37 CO -0.05 -0.50 -0.13 0.08 -2.03 0.00 0.00 175.02 172.39 2ekx s VAL 38 N -3.08 1.68 0.53 5.16 1.01 -0.56 -1.59 120.40 123.56 2ekx s VAL 38 Ca -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2ekx s VAL 38 Cb -0.01 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.75 2ekx s VAL 38 CO -0.07 0.31 0.46 0.00 0.00 0.00 0.00 175.10 175.80 2ekx s ARG 39 N 1.41 2.29 -0.16 2.72 1.70 -0.74 -2.19 118.95 123.98 2ekx s ARG 39 Ca 0.01 -1.91 -0.15 0.00 -0.47 0.00 0.00 55.73 53.21 2ekx s ARG 39 Cb -0.15 -2.21 -0.05 0.00 -0.57 0.00 0.00 34.95 31.98 2ekx s ARG 39 CO -0.10 -0.61 0.33 1.21 -1.08 0.00 0.00 175.30 175.05 2ekx s ASN 40 N -4.32 6.48 1.10 -2.89 3.84 -1.16 -3.14 114.94 114.85 2ekx s ASN 40 Ca 0.40 0.56 -0.13 0.00 0.21 0.00 0.00 52.86 53.90 2ekx s ASN 40 Cb -0.03 -2.20 0.25 0.00 -0.55 0.00 0.00 41.25 38.72 2ekx s ASN 40 CO 0.25 0.07 1.06 -0.44 -2.79 0.00 0.00 177.10 175.25 2ekx s SER 41 N 0.52 1.66 0.14 -4.21 0.01 -1.26 -4.72 113.70 105.84 2ekx s SER 41 Ca 0.18 1.27 -0.24 0.00 1.31 0.00 0.00 55.95 58.47 2ekx s SER 41 Cb -0.13 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.11 2ekx s SER 41 CO 0.05 -3.74 1.62 0.77 0.41 0.00 0.00 173.24 172.34 2ekx h SER 42 N -2.31 -0.90 -1.61 2.44 4.64 -1.98 -3.43 113.55 110.41 2ekx h SER 42 Ca -0.58 0.14 -0.42 0.00 -0.47 0.00 0.00 61.79 60.46 2ekx h SER 42 Cb 1.34 0.40 0.02 0.00 -0.31 0.00 0.00 62.40 63.85 2ekx h SER 42 CO 0.54 -0.32 -0.22 -1.10 -0.87 0.00 0.00 176.83 174.85 2ekx s GLN 43 N -6.04 2.78 0.48 4.77 -1.52 -1.26 -5.10 119.66 113.77 2ekx s GLN 43 Ca -0.15 -1.17 -0.19 0.00 -1.95 0.00 0.00 55.36 51.90 2ekx s GLN 43 Cb 0.11 -2.71 -0.09 0.00 -0.22 0.00 0.00 33.01 30.10 2ekx s GLN 43 CO 0.67 -0.35 0.97 0.54 -0.25 0.00 0.00 175.29 176.87 2ekx s VAL 44 N -2.42 4.42 0.00 1.09 0.11 -1.26 -4.29 120.40 118.04 2ekx s VAL 44 Ca 0.55 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.93 2ekx s VAL 44 Cb -0.10 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 2ekx s VAL 44 CO 0.34 -0.50 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 2ekx n GLY 45 N -1.10 2.11 3.62 6.54 0.00 -1.26 -5.02 105.19 110.08 2ekx n GLY 45 Ca 0.07 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2ekx n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ekx s MET 46 N 0.00 0.06 0.00 1.61 -1.94 -1.26 -5.06 119.30 112.71 2ekx s MET 46 Ca 0.00 0.68 -0.11 0.00 -1.71 0.00 0.00 55.69 54.55 2ekx s MET 46 Cb 0.00 -1.68 0.01 0.00 2.01 0.00 0.00 34.83 35.17 2ekx s MET 46 CO 0.00 -3.02 0.22 0.71 -0.01 0.00 0.00 175.02 172.91 2ekx s TYR 47 N -2.79 -0.05 -0.08 -0.03 1.51 -1.26 -4.14 117.35 110.51 2ekx s TYR 47 Ca 0.66 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.78 2ekx s TYR 47 Cb -0.21 0.02 -0.00 0.00 -0.11 0.00 0.00 41.96 41.65 2ekx s TYR 47 CO 0.60 -0.36 -0.24 0.99 -1.11 0.00 0.00 175.55 175.43 2ekx s THR 48 N -1.57 2.03 -0.39 -0.71 2.01 -1.19 -1.18 115.64 114.65 2ekx s THR 48 Ca -0.13 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 2ekx s THR 48 Cb -0.06 -1.74 0.10 0.00 0.01 0.00 0.00 72.50 70.82 2ekx s THR 48 CO 0.02 0.56 0.16 -0.69 -0.69 0.00 0.00 174.62 173.97 2ekx s VAL 49 N 0.11 3.06 -0.20 3.82 1.01 -0.44 -1.80 120.40 125.96 2ekx s VAL 49 Ca -0.12 -2.06 -0.10 0.00 0.00 0.00 0.00 61.98 59.70 2ekx s VAL 49 Cb -0.16 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2ekx s VAL 49 CO 0.06 -0.63 0.13 -0.44 0.00 0.00 0.00 175.10 174.23 2ekx s SER 50 N 1.60 6.18 -0.00 3.32 0.01 -0.62 -2.47 113.70 121.72 2ekx s SER 50 Ca 0.08 0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 2ekx s SER 50 Cb -0.22 -2.09 -0.00 0.00 0.21 0.00 0.00 66.02 63.92 2ekx s SER 50 CO -0.05 0.17 0.02 -1.48 0.41 0.00 0.00 173.24 172.31 2ekx s LEU 51 N 0.44 1.95 0.12 2.44 0.05 -1.21 -0.86 118.68 121.62 2ekx s LEU 51 Ca 0.08 -0.11 -0.20 0.00 0.05 0.00 0.00 54.13 53.95 2ekx s LEU 51 Cb -0.11 0.15 -0.07 0.00 -2.05 0.00 0.00 46.19 44.10 2ekx s LEU 51 CO -0.01 -0.11 0.63 0.12 -0.55 0.00 0.00 176.35 176.43 2ekx s PHE 52 N -0.48 3.78 -0.28 3.48 5.36 -0.86 0.03 117.98 129.02 2ekx s PHE 52 Ca -0.05 1.34 -0.22 0.00 -0.96 0.00 0.00 56.93 57.03 2ekx s PHE 52 Cb -0.03 -2.56 0.09 0.00 -0.34 0.00 0.00 43.02 40.18 2ekx s PHE 52 CO -0.00 0.52 0.78 0.45 -1.46 0.00 0.00 175.22 175.50 2ekx s SER 53 N -1.28 -0.74 0.21 6.13 0.15 -1.25 -1.99 113.70 114.94 2ekx s SER 53 Ca 0.34 1.34 0.10 0.00 0.70 0.00 0.00 55.95 58.43 2ekx s SER 53 Cb -0.19 1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 65.42 2ekx s SER 53 CO 0.21 -0.22 -0.15 -1.59 1.20 0.00 0.00 173.24 172.68 2ekx s LYS 54 N 0.72 1.84 0.21 5.44 -2.85 -1.26 -2.96 119.74 120.88 2ekx s LYS 54 Ca -0.02 -1.44 -0.04 0.00 -1.00 0.00 0.00 55.97 53.46 2ekx s LYS 54 Cb -0.05 -1.99 0.02 0.00 -2.06 0.00 0.00 37.83 33.74 2ekx s LYS 54 CO -0.06 0.40 0.34 0.00 0.10 0.00 0.00 175.35 176.13 2ekx n ALA 55 N -0.06 -0.50 -0.09 0.59 0.00 -1.26 -4.99 120.51 114.19 2ekx n ALA 55 Ca -0.10 -0.83 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 2ekx n ALA 55 Cb 0.57 0.67 -0.04 0.00 0.00 0.00 0.00 19.45 20.64 2ekx n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ekx h VAL 56 N 1.56 1.26 -0.05 0.00 2.07 -2.04 -3.25 116.25 115.80 2ekx h VAL 56 Ca -0.17 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 2ekx h VAL 56 Cb 0.67 1.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2ekx h VAL 56 CO 0.22 0.30 -0.39 -1.13 0.02 0.00 0.00 177.57 176.58 2ekx h ASN 57 N 0.26 0.44 -3.55 0.57 -1.24 -2.04 -3.46 115.58 106.57 2ekx h ASN 57 Ca 0.08 -0.68 -0.56 0.00 0.71 0.00 0.00 56.30 55.85 2ekx h ASN 57 Cb 0.43 -0.13 0.18 0.00 0.73 0.00 0.00 38.32 39.53 2ekx h ASN 57 CO 0.01 1.05 -0.06 0.47 -1.29 0.00 0.00 177.43 177.61 2ekx n ASP 58 N -4.37 -0.03 -4.55 1.15 9.92 -1.23 -4.96 116.55 112.48 2ekx n ASP 58 Ca -0.09 0.67 -0.39 0.00 -0.53 0.00 0.00 54.79 54.45 2ekx n ASP 58 Cb 0.55 -1.34 -0.11 0.00 -0.64 0.00 0.00 41.12 39.58 2ekx n ASP 58 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2ekx s LYS 59 N -3.02 3.67 -0.52 -1.24 2.47 -1.26 -4.50 119.74 115.33 2ekx s LYS 59 Ca 0.71 -0.52 -0.07 0.00 -1.56 0.00 0.00 55.97 54.54 2ekx s LYS 59 Cb -0.36 -3.74 0.07 0.00 -1.46 0.00 0.00 37.83 32.33 2ekx s LYS 59 CO 0.52 -0.34 0.16 1.63 0.16 0.00 0.00 175.35 177.48 2ekx n LYS 60 N 5.08 -2.22 -0.54 4.03 5.02 -1.26 -4.29 118.16 123.99 2ekx n LYS 60 Ca -0.13 0.04 0.03 0.00 -2.02 0.00 0.00 58.31 56.23 2ekx n LYS 60 Cb 0.51 -4.21 -0.02 0.00 -0.02 0.00 0.00 35.03 31.29 2ekx n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ekx n GLY 61 N -0.63 -3.08 3.49 0.72 0.00 -1.26 -5.01 105.19 99.43 2ekx n GLY 61 Ca 0.03 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 2ekx n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ekx s THR 62 N -4.00 -0.01 0.43 2.61 2.01 -1.15 -4.99 115.64 110.54 2ekx s THR 62 Ca 0.00 0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 2ekx s THR 62 Cb 0.00 -0.84 -0.10 0.00 0.01 0.00 0.00 72.50 71.58 2ekx s THR 62 CO 0.00 0.01 1.12 0.52 -0.69 0.00 0.00 174.62 175.58 2ekx n VAL 63 N 3.70 2.60 -3.64 3.82 0.31 -1.26 -3.79 118.33 120.06 2ekx n VAL 63 Ca -0.18 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.45 2ekx n VAL 63 Cb 0.57 -1.33 -0.02 0.00 -0.91 0.00 0.00 33.84 32.15 2ekx n VAL 63 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ekx s LYS 64 N -2.15 2.97 -0.13 5.55 -0.14 0.10 -4.96 119.74 120.99 2ekx s LYS 64 Ca 0.63 -1.11 -0.05 0.00 -1.36 0.00 0.00 55.97 54.08 2ekx s LYS 64 Cb -0.53 -2.68 0.07 0.00 -1.68 0.00 0.00 37.83 33.01 2ekx s LYS 64 CO 0.56 0.10 0.26 -1.01 -0.76 0.00 0.00 175.35 174.51 2ekx s HIS 65 N -2.22 -0.42 -0.06 3.18 3.76 -1.26 -3.30 115.29 114.97 2ekx s HIS 65 Ca 0.43 0.94 0.03 0.00 -0.15 0.00 0.00 55.06 56.30 2ekx s HIS 65 Cb -0.08 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.56 2ekx s HIS 65 CO 0.29 -0.37 -0.14 0.71 -0.85 0.00 0.00 174.74 174.37 2ekx s TYR 66 N 2.42 1.61 -0.28 1.40 2.02 -1.03 -5.00 117.35 118.48 2ekx s TYR 66 Ca 0.02 -0.56 -0.12 0.00 -0.37 0.00 0.00 57.07 56.03 2ekx s TYR 66 Cb -0.12 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2ekx s TYR 66 CO -0.09 -0.26 0.26 -1.58 -1.57 0.00 0.00 175.55 172.31 2ekx s HIS 67 N 0.45 3.23 -0.50 2.71 2.46 -1.26 -1.32 115.29 121.05 2ekx s HIS 67 Ca -0.12 0.20 -0.27 0.00 0.47 0.00 0.00 55.06 55.35 2ekx s HIS 67 Cb -0.15 -2.45 -0.04 0.00 -0.13 0.00 0.00 32.58 29.82 2ekx s HIS 67 CO 0.04 -0.19 2.02 0.08 -2.47 0.00 0.00 174.74 174.22 2ekx s VAL 68 N 1.87 3.26 0.95 0.89 1.01 -0.33 -4.72 120.40 123.33 2ekx s VAL 68 Ca 0.10 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 2ekx s VAL 68 Cb -0.16 -3.57 0.21 0.00 0.00 0.00 0.00 36.38 32.86 2ekx s VAL 68 CO 0.11 -0.51 1.30 -1.00 0.00 0.00 0.00 175.10 174.99 2ekx s HIS 69 N 9.50 1.34 -0.02 5.22 3.76 0.22 -4.48 115.29 130.84 2ekx s HIS 69 Ca 0.80 0.14 0.04 0.00 -0.15 0.00 0.00 55.06 55.88 2ekx s HIS 69 Cb -0.17 -4.03 -0.01 0.00 1.11 0.00 0.00 32.58 29.48 2ekx s HIS 69 CO 0.25 -2.65 -0.12 0.99 -0.85 0.00 0.00 174.74 172.36 2ekx s THR 70 N -3.82 0.97 0.63 1.30 2.01 -1.26 -2.31 115.64 113.15 2ekx s THR 70 Ca 0.75 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2ekx s THR 70 Cb -0.03 -0.82 0.09 0.00 0.01 0.00 0.00 72.50 71.75 2ekx s THR 70 CO 0.52 0.28 0.87 0.21 -0.69 0.00 0.00 174.62 175.81 2ekx s ASN 71 N -0.15 4.81 0.36 3.53 2.47 0.11 -4.87 114.94 121.20 2ekx s ASN 71 Ca 0.02 -0.39 0.10 0.00 0.42 0.00 0.00 52.86 53.01 2ekx s ASN 71 Cb -0.06 -0.19 0.85 0.00 -1.45 0.00 0.00 41.25 40.39 2ekx s ASN 71 CO -0.00 -1.51 1.86 0.00 -3.72 0.00 0.00 177.10 173.72 2ekx h ALA 72 N -0.16 1.87 -0.53 1.71 0.00 -2.02 0.11 119.26 120.24 2ekx h ALA 72 Ca -0.36 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.27 2ekx h ALA 72 Cb 1.28 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 2ekx h ALA 72 CO 0.43 -0.13 0.39 0.39 0.00 0.00 0.00 179.25 180.33 2ekx n GLU 73 N -4.58 1.74 -2.21 0.00 1.02 -1.26 -4.82 120.64 110.54 2ekx n GLU 73 Ca 0.18 -1.65 -0.12 0.00 -0.02 0.00 0.00 57.16 55.56 2ekx n GLU 73 Cb 0.52 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 2ekx n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ekx n ASN 74 N -0.19 -3.67 -4.66 1.62 3.02 0.39 -4.90 115.26 106.87 2ekx n ASN 74 Ca 0.32 0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 54.69 2ekx n ASN 74 Cb 0.95 -3.19 -0.05 0.00 -0.61 0.00 0.00 39.78 36.88 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ekx s LYS 75 N -4.60 4.24 0.32 3.52 1.02 -1.24 -4.72 119.74 118.28 2ekx s LYS 75 Ca 0.00 0.86 -0.19 0.00 0.02 0.00 0.00 55.97 56.66 2ekx s LYS 75 Cb 0.00 -3.59 -0.09 0.00 -0.52 0.00 0.00 37.83 33.63 2ekx s LYS 75 CO 0.00 -0.34 0.80 -0.51 -0.92 0.00 0.00 175.35 174.39 2ekx s LEU 76 N 2.21 4.15 0.04 3.17 1.43 -1.25 0.05 118.68 128.48 2ekx s LEU 76 Ca 0.34 1.48 -0.28 0.00 -1.03 0.00 0.00 54.13 54.64 2ekx s LEU 76 Cb -0.16 -4.04 0.10 0.00 0.03 0.00 0.00 46.19 42.12 2ekx s LEU 76 CO 0.11 -0.16 1.20 -0.72 0.23 0.00 0.00 176.35 177.01 2ekx s TYR 77 N -1.85 -0.02 -0.03 0.29 1.13 -0.98 -2.68 117.35 113.22 2ekx s TYR 77 Ca 0.52 -0.17 0.01 0.00 -1.41 0.00 0.00 57.07 56.03 2ekx s TYR 77 Cb -0.13 0.59 -0.02 0.00 -1.10 0.00 0.00 41.96 41.30 2ekx s TYR 77 CO 0.18 -0.47 0.04 1.28 -2.51 0.00 0.00 175.55 174.07 2ekx n LEU 78 N -0.63 0.02 -3.69 -3.49 4.77 -1.26 -0.61 117.00 112.12 2ekx n LEU 78 Ca -0.04 -0.18 -0.22 0.00 -0.03 0.00 0.00 56.01 55.53 2ekx n LEU 78 Cb 0.61 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.52 2ekx n LEU 78 CO 0.15 0.01 -0.35 0.00 -1.33 0.00 0.00 177.39 175.86 2ekx s ALA 79 N -1.75 0.43 0.59 -1.18 0.00 -1.26 -4.93 121.76 113.66 2ekx s ALA 79 Ca -0.00 -0.04 0.30 0.00 0.00 0.00 0.00 51.96 52.22 2ekx s ALA 79 Cb 0.01 -0.77 1.30 0.00 0.00 0.00 0.00 23.12 23.66 2ekx s ALA 79 CO 0.06 -0.66 1.66 1.05 0.00 0.00 0.00 175.76 177.87 2ekx h GLU 80 N 8.40 0.00 -0.75 0.00 -0.00 -2.02 0.59 114.58 120.79 2ekx h GLU 80 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.18 2ekx h GLU 80 Cb 1.13 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.84 2ekx h GLU 80 CO 0.22 0.00 0.33 -0.91 -0.00 0.00 0.00 179.01 178.64 2ekx h ASN 81 N 0.00 1.00 -0.50 3.06 4.21 -2.00 -3.44 115.58 117.91 2ekx h ASN 81 Ca 0.38 -0.13 -0.61 0.00 1.21 0.00 0.00 56.30 57.14 2ekx h ASN 81 Cb 2.04 -0.26 -0.07 0.00 -1.12 0.00 0.00 38.32 38.90 2ekx h ASN 81 CO -0.00 0.87 -0.37 -0.31 -1.29 0.00 0.00 177.43 176.33 2ekx s TYR 82 N -5.56 1.70 0.09 1.19 1.51 0.21 -5.11 117.35 111.38 2ekx s TYR 82 Ca -0.12 -0.88 -0.22 0.00 -1.01 0.00 0.00 57.07 54.85 2ekx s TYR 82 Cb 0.16 -1.82 0.05 0.00 -0.11 0.00 0.00 41.96 40.24 2ekx s TYR 82 CO 0.82 -0.25 0.53 0.00 -1.11 0.00 0.00 175.55 175.53 2ekx n PHE 84 N 0.11 -0.75 -0.05 0.00 3.01 -1.09 -5.04 117.46 113.65 2ekx n PHE 84 Ca -0.18 -1.31 -0.10 0.00 1.01 0.00 0.00 57.45 56.87 2ekx n PHE 84 Cb 0.62 0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 40.29 2ekx n PHE 84 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2ekx n ASP 85 N -2.04 1.28 -4.61 4.37 2.03 -1.26 -3.92 116.55 112.39 2ekx n ASP 85 Ca 0.02 0.21 -0.29 0.00 0.52 0.00 0.00 54.79 55.25 2ekx n ASP 85 Cb 0.31 -0.49 -0.10 0.00 -0.72 0.00 0.00 41.12 40.12 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ekx s SER 86 N -6.13 3.71 0.03 1.67 0.01 -1.26 -4.39 113.70 107.34 2ekx s SER 86 Ca -0.18 -1.47 -0.27 0.00 1.31 0.00 0.00 55.95 55.34 2ekx s SER 86 Cb 0.05 -0.04 -0.17 0.00 0.21 0.00 0.00 66.02 66.07 2ekx s SER 86 CO 0.24 -0.61 1.33 0.40 0.41 0.00 0.00 173.24 175.00 2ekx h ILE 87 N 1.69 0.51 0.00 1.44 5.03 -1.98 -2.71 117.51 121.48 2ekx h ILE 87 Ca -0.43 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 63.93 2ekx h ILE 87 Cb 1.26 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 35.72 2ekx h ILE 87 CO 0.76 0.06 0.00 -0.81 -0.68 0.00 0.00 178.15 177.48 2ekx n PRO 88 N -5.26 0.20 0.04 2.37 -0.04 -1.26 -2.17 135.00 128.89 2ekx n PRO 88 Ca -0.11 0.15 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 2ekx n PRO 88 Cb 0.30 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 2ekx n PRO 88 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2ekx n LYS 89 N -1.30 0.62 0.10 0.54 4.81 -1.09 -3.55 118.16 118.30 2ekx n LYS 89 Ca 0.07 0.15 -0.21 0.00 -0.87 0.00 0.00 58.31 57.45 2ekx n LYS 89 Cb 0.12 -1.78 -0.13 0.00 0.02 0.00 0.00 35.03 33.26 2ekx n LYS 89 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2ekx h LEU 90 N 0.00 0.81 -1.01 3.14 6.46 -1.13 -3.20 115.31 120.38 2ekx h LEU 90 Ca -0.12 -0.76 -0.04 0.00 -0.12 0.00 0.00 57.88 56.84 2ekx h LEU 90 Cb 1.40 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 2ekx h LEU 90 CO 0.03 1.57 -0.17 0.40 -0.62 0.00 0.00 178.44 179.65 2ekx h ILE 91 N 0.24 0.40 0.00 4.05 1.08 -1.71 -2.56 117.51 119.00 2ekx h ILE 91 Ca -0.19 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.24 2ekx h ILE 91 Cb 1.94 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 37.46 2ekx h ILE 91 CO 0.24 0.17 0.00 0.45 -0.69 0.00 0.00 178.15 178.31 2ekx h HIS 92 N 0.00 0.00 0.00 1.37 3.86 -1.60 -2.99 115.15 115.79 2ekx h HIS 92 Ca -0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 2ekx h HIS 92 Cb 0.76 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.17 2ekx h HIS 92 CO 0.00 0.00 -2.07 0.98 0.86 0.00 0.00 177.93 177.70 2ekx n TYR 93 N -2.58 0.46 0.02 2.45 9.36 -1.02 -4.39 117.16 121.47 2ekx n TYR 93 Ca 0.04 0.17 -0.13 0.00 3.32 0.00 0.00 57.90 61.30 2ekx n TYR 93 Cb 0.44 -1.08 -0.09 0.00 -0.63 0.00 0.00 39.34 37.97 2ekx n TYR 93 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2ekx h HIS 94 N 0.00 -0.10 -0.99 2.98 3.86 -1.48 -2.59 115.15 116.82 2ekx h HIS 94 Ca -0.42 -0.00 0.36 0.00 -1.16 0.00 0.00 60.37 59.14 2ekx h HIS 94 Cb 2.13 0.03 -0.18 0.00 1.06 0.00 0.00 27.41 30.45 2ekx h HIS 94 CO 0.00 0.37 0.34 1.96 0.86 0.00 0.00 177.93 181.46 2ekx h GLN 95 N -0.63 0.02 0.03 2.45 4.20 -1.74 0.21 115.11 119.66 2ekx h GLN 95 Ca -0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2ekx h GLN 95 Cb 0.52 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2ekx h GLN 95 CO 0.02 0.01 -0.02 0.45 -0.67 0.00 0.00 178.83 178.63 2ekx h HIS 96 N 0.02 -0.04 -3.50 2.96 3.86 -1.76 -3.46 115.15 113.23 2ekx h HIS 96 Ca 0.74 -0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.68 2ekx h HIS 96 Cb 1.81 0.01 -0.32 0.00 1.06 0.00 0.00 27.41 29.97 2ekx h HIS 96 CO -0.20 0.58 -0.70 0.54 0.86 0.00 0.00 177.93 179.01 2ekx s ASN 97 N -5.79 0.02 1.26 2.45 2.20 0.74 -5.15 114.94 110.66 2ekx s ASN 97 Ca -0.16 0.09 -0.17 0.00 -0.94 0.00 0.00 52.86 51.68 2ekx s ASN 97 Cb 0.00 0.00 0.29 0.00 -2.00 0.00 0.00 41.25 39.54 2ekx s ASN 97 CO 0.64 -0.11 0.75 -1.54 -2.94 0.00 0.00 177.10 173.90 2ekx n SER 98 N 3.95 -2.73 -3.16 3.54 3.41 -1.21 -3.91 113.62 113.50 2ekx n SER 98 Ca -0.24 -0.41 0.03 0.00 -0.26 0.00 0.00 58.87 57.99 2ekx n SER 98 Cb 0.52 -1.09 -0.01 0.00 -0.26 0.00 0.00 64.21 63.37 2ekx n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ekx s ALA 99 N -2.26 -2.19 0.21 7.33 0.00 -1.26 -4.94 121.76 118.65 2ekx s ALA 99 Ca 0.64 1.70 0.00 0.00 0.00 0.00 0.00 51.96 54.30 2ekx s ALA 99 Cb -0.18 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2ekx s ALA 99 CO 0.61 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2ekx n GLY 100 N 5.42 -2.05 0.60 0.00 0.00 -1.26 -3.81 105.19 104.09 2ekx n GLY 100 Ca -0.01 -1.32 0.40 0.00 0.00 0.00 0.00 46.02 45.09 2ekx n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekx h MET 101 N -0.65 0.00 -5.19 1.61 -0.00 -2.01 -3.38 114.93 105.31 2ekx h MET 101 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.40 2ekx h MET 101 Cb 0.64 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.18 2ekx h MET 101 CO 0.02 0.00 1.28 -0.89 -0.00 0.00 0.00 176.91 177.31 2ekx n ILE 102 N -3.78 -0.01 -1.31 -0.10 5.41 -1.25 -4.77 119.36 113.55 2ekx n ILE 102 Ca 0.32 -0.46 -0.51 0.00 1.00 0.00 0.00 62.75 63.09 2ekx n ILE 102 Cb 1.61 -1.07 -0.07 0.00 -0.71 0.00 0.00 39.64 39.40 2ekx n ILE 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2ekx n THR 103 N 7.19 0.05 -1.56 1.39 -1.04 -1.26 -4.35 114.28 114.69 2ekx n THR 103 Ca 0.57 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 62.15 2ekx n THR 103 Cb 0.27 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.79 2ekx n THR 103 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2ekx n ARG 104 N 1.30 1.11 -2.32 -2.82 1.85 -1.26 -4.88 116.66 109.64 2ekx n ARG 104 Ca 0.17 0.40 -0.42 0.00 -1.00 0.00 0.00 57.85 57.00 2ekx n ARG 104 Cb 0.07 -1.88 -0.03 0.00 -1.05 0.00 0.00 32.46 29.58 2ekx n ARG 104 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2ekx s LEU 105 N 0.12 4.32 -0.07 2.89 1.43 -1.26 -4.85 118.68 121.26 2ekx s LEU 105 Ca 0.63 2.03 -0.05 0.00 -1.03 0.00 0.00 54.13 55.71 2ekx s LEU 105 Cb -0.58 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 2ekx s LEU 105 CO 0.57 -0.63 -0.10 -1.14 0.23 0.00 0.00 176.35 175.27 2ekx n ARG 106 N 4.96 0.21 -3.89 1.70 3.00 -0.58 -4.76 116.66 117.29 2ekx n ARG 106 Ca 0.12 0.28 -0.11 0.00 -0.00 0.00 0.00 57.85 58.14 2ekx n ARG 106 Cb 0.45 -1.09 -0.11 0.00 0.00 0.00 0.00 32.46 31.71 2ekx n ARG 106 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2ekx s HIS 107 N -1.65 0.06 0.34 -0.14 3.76 -1.26 -4.95 115.29 111.46 2ekx s HIS 107 Ca -0.09 -0.13 -0.28 0.00 -0.15 0.00 0.00 55.06 54.42 2ekx s HIS 107 Cb 0.01 -0.06 -0.09 0.00 1.11 0.00 0.00 32.58 33.54 2ekx s HIS 107 CO 0.13 -0.18 1.21 -1.25 -0.85 0.00 0.00 174.74 173.80 2ekx s PRO 108 N -0.93 4.32 0.04 8.40 0.04 -1.26 -1.09 135.00 144.52 2ekx s PRO 108 Ca -0.10 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.00 2ekx s PRO 108 Cb -0.06 -2.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 2ekx s PRO 108 CO 0.00 -0.14 -0.18 0.08 0.04 0.00 0.00 177.00 176.81 2ekx s VAL 109 N -1.23 1.43 0.00 -0.36 1.01 0.12 -4.74 120.40 116.62 2ekx s VAL 109 Ca 0.51 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2ekx s VAL 109 Cb -0.35 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2ekx s VAL 109 CO 0.45 0.10 0.00 -1.20 0.00 0.00 0.00 175.10 174.46