#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekx n SER 2 N 0.00 -2.62 -4.02 1.61 7.64 -1.26 -5.02 113.62 109.95 2ekx n SER 2 Ca 0.00 0.34 -0.10 0.00 1.01 0.00 0.00 58.87 60.12 2ekx n SER 2 Cb 0.00 -1.13 -0.11 0.00 -1.01 0.00 0.00 64.21 61.96 2ekx n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ekx s SER 3 N -1.78 0.46 0.00 6.43 0.15 -1.26 -4.92 113.70 112.79 2ekx s SER 3 Ca 0.55 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2ekx s SER 3 Cb -0.23 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2ekx s SER 3 CO 0.69 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2ekx n GLY 4 N 1.29 0.74 2.89 9.45 0.00 -1.26 -5.08 105.19 113.22 2ekx n GLY 4 Ca -0.22 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 2ekx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ekx s SER 5 N -2.38 3.93 1.24 1.61 0.01 -1.26 -5.13 113.70 111.72 2ekx s SER 5 Ca 0.00 -1.37 -0.18 0.00 1.31 0.00 0.00 55.95 55.70 2ekx s SER 5 Cb 0.00 -1.12 0.26 0.00 0.21 0.00 0.00 66.02 65.37 2ekx s SER 5 CO 0.00 -0.30 0.59 -1.54 0.41 0.00 0.00 173.24 172.41 2ekx n SER 6 N 4.68 -3.17 -1.39 2.44 3.41 -1.26 -4.81 113.62 113.52 2ekx n SER 6 Ca -0.07 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 2ekx n SER 6 Cb 0.44 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2ekx n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ekx n GLY 7 N 1.95 -4.65 1.81 5.00 0.00 -1.26 -4.69 105.19 103.35 2ekx n GLY 7 Ca 0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 0.88 5.62 0.10 0.99 4.77 -1.26 -4.28 117.00 123.83 2ekx n LEU 8 Ca 0.00 -2.95 -0.23 0.00 -0.03 0.00 0.00 56.01 52.80 2ekx n LEU 8 Cb 0.00 -1.21 -0.13 0.00 -2.33 0.00 0.00 43.42 39.74 2ekx n LEU 8 CO 0.00 1.32 -0.09 -0.78 -1.33 0.00 0.00 177.39 176.51 2ekx h ASP 9 N 1.86 0.88 -0.97 -1.43 3.58 -1.93 -3.29 116.42 115.12 2ekx h ASP 9 Ca 0.14 -0.83 0.31 0.00 0.42 0.00 0.00 57.03 57.07 2ekx h ASP 9 Cb 1.11 -0.28 -0.15 0.00 1.72 0.00 0.00 39.33 41.73 2ekx h ASP 9 CO 0.29 1.63 0.47 -0.78 -2.88 0.00 0.00 179.24 177.96 2ekx h ASP 10 N 0.26 0.34 -4.36 2.28 3.58 -1.92 -3.40 116.42 113.19 2ekx h ASP 10 Ca -0.20 0.20 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 2ekx h ASP 10 Cb 1.96 0.19 0.12 0.00 1.72 0.00 0.00 39.33 43.32 2ekx h ASP 10 CO 0.25 -0.17 0.34 -0.31 -2.88 0.00 0.00 179.24 176.46 2ekx s TYR 11 N -5.73 2.68 -0.08 0.28 2.02 -1.24 -5.05 117.35 110.23 2ekx s TYR 11 Ca -0.10 0.84 -0.10 0.00 -0.37 0.00 0.00 57.07 57.34 2ekx s TYR 11 Cb 0.29 -3.41 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 2ekx s TYR 11 CO 0.78 -2.14 -0.19 -0.25 -1.57 0.00 0.00 175.55 172.19 2ekx n ASP 12 N -3.60 1.15 -0.51 2.29 8.00 -1.26 -4.53 116.55 118.09 2ekx n ASP 12 Ca 0.07 0.19 0.41 0.00 0.71 0.00 0.00 54.79 56.17 2ekx n ASP 12 Cb 0.60 -0.58 0.66 0.00 -0.02 0.00 0.00 41.12 41.77 2ekx n ASP 12 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2ekx n TRP 13 N -3.65 0.40 -1.55 1.24 4.27 -1.26 -4.05 117.44 112.84 2ekx n TRP 13 Ca -0.07 0.40 -0.26 0.00 -3.89 0.00 0.00 57.50 53.68 2ekx n TRP 13 Cb 0.28 -0.83 -0.06 0.00 -1.36 0.00 0.00 31.31 29.33 2ekx n TRP 13 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 2ekx n PHE 14 N -4.22 1.23 -3.07 -2.67 7.35 -1.26 -2.03 117.46 112.80 2ekx n PHE 14 Ca 0.38 0.07 -0.45 0.00 -0.76 0.00 0.00 57.45 56.69 2ekx n PHE 14 Cb 1.56 -2.55 -0.01 0.00 0.35 0.00 0.00 39.48 38.83 2ekx n PHE 14 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ekx s ALA 15 N 12.84 3.99 0.78 3.13 0.00 0.98 -4.84 121.76 138.64 2ekx s ALA 15 Ca 0.99 -3.29 -0.10 0.00 0.00 0.00 0.00 51.96 49.56 2ekx s ALA 15 Cb -0.22 -3.91 0.09 0.00 0.00 0.00 0.00 23.12 19.08 2ekx s ALA 15 CO 0.20 -2.65 1.12 0.20 0.00 0.00 0.00 175.76 174.63 2ekx s GLY 16 N 2.66 1.67 -1.34 0.00 0.00 -1.26 -4.11 107.32 104.94 2ekx s GLY 16 Ca 0.34 -0.89 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 2ekx s GLY 16 CO -0.05 -0.40 0.84 0.70 0.00 0.00 0.00 173.10 174.19 2ekx n ASN 17 N -3.18 -2.43 -4.91 1.64 3.02 -1.26 -4.99 115.26 103.15 2ekx n ASN 17 Ca 0.09 -0.76 -0.24 0.00 -0.03 0.00 0.00 54.58 53.64 2ekx n ASN 17 Cb 0.61 -4.27 -0.01 0.00 -0.61 0.00 0.00 39.78 35.50 2ekx n ASN 17 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2ekx s ILE 18 N -3.52 1.94 0.17 2.41 -5.25 -1.26 -5.10 121.20 110.58 2ekx s ILE 18 Ca 0.18 -1.41 -0.00 0.00 -0.99 0.00 0.00 60.65 58.43 2ekx s ILE 18 Cb -0.09 -2.35 -0.04 0.00 2.95 0.00 0.00 42.46 42.93 2ekx s ILE 18 CO 0.80 0.00 0.06 -0.94 -1.79 0.00 0.00 174.94 173.06 2ekx s SER 19 N -4.28 0.61 0.51 4.36 1.04 -1.26 -4.96 113.70 109.71 2ekx s SER 19 Ca 0.41 -1.25 0.29 0.00 0.48 0.00 0.00 55.95 55.87 2ekx s SER 19 Cb -0.03 0.25 1.39 0.00 0.10 0.00 0.00 66.02 67.74 2ekx s SER 19 CO 0.25 -0.71 1.87 0.03 0.98 0.00 0.00 173.24 175.66 2ekx h ARG 20 N 2.73 0.10 0.00 4.02 2.47 -2.01 0.13 114.38 121.82 2ekx h ARG 20 Ca -0.36 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.34 2ekx h ARG 20 Cb 1.21 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2ekx h ARG 20 CO 0.59 0.07 -0.22 0.66 0.56 0.00 0.00 179.97 181.63 2ekx h SER 21 N 0.10 0.00 -0.45 7.04 4.64 -2.01 -3.38 113.55 119.49 2ekx h SER 21 Ca 0.46 -0.09 0.09 0.00 -0.47 0.00 0.00 61.79 61.78 2ekx h SER 21 Cb 1.65 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.64 2ekx h SER 21 CO -0.06 0.66 -0.26 1.56 -0.87 0.00 0.00 176.83 177.86 2ekx h GLN 22 N -1.00 -0.16 -0.73 4.77 7.50 -1.85 0.14 115.11 123.78 2ekx h GLN 22 Ca -0.01 0.01 0.26 0.00 0.50 0.00 0.00 58.65 59.41 2ekx h GLN 22 Cb 0.29 0.04 -0.13 0.00 0.05 0.00 0.00 27.48 27.72 2ekx h GLN 22 CO -0.01 -0.11 0.24 -1.13 -1.50 0.00 0.00 178.83 176.32 2ekx n SER 23 N -5.41 0.12 -0.08 1.46 3.41 0.43 0.01 113.62 113.56 2ekx n SER 23 Ca 0.03 1.22 -0.08 0.00 -0.26 0.00 0.00 58.87 59.78 2ekx n SER 23 Cb 0.32 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 2ekx n SER 23 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ekx n GLU 24 N -4.79 0.48 -0.26 4.33 1.02 -0.22 -3.98 120.64 117.22 2ekx n GLU 24 Ca 0.23 0.51 -0.10 0.00 -0.02 0.00 0.00 57.16 57.78 2ekx n GLU 24 Cb 0.78 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 2ekx n GLU 24 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2ekx h GLN 25 N -1.00 -0.13 -0.35 3.49 4.15 0.39 -1.28 115.11 120.38 2ekx h GLN 25 Ca -0.06 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.40 2ekx h GLN 25 Cb 0.68 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.34 2ekx h GLN 25 CO -0.04 -0.08 -0.33 -0.07 -1.93 0.00 0.00 178.83 176.38 2ekx h LEU 26 N -0.13 -1.13 -0.94 -2.39 3.38 -0.64 0.28 115.31 113.74 2ekx h LEU 26 Ca 0.10 0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.45 2ekx h LEU 26 Cb 0.40 0.48 -0.18 0.00 0.09 0.00 0.00 40.66 41.45 2ekx h LEU 26 CO -0.67 -0.20 -0.11 -0.07 0.09 0.00 0.00 178.44 177.48 2ekx h LEU 27 N -0.15 -0.67 -1.03 1.67 3.38 -1.49 1.19 115.31 118.20 2ekx h LEU 27 Ca 0.06 0.27 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 2ekx h LEU 27 Cb 0.31 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2ekx h LEU 27 CO -0.41 -0.31 -0.02 0.03 0.09 0.00 0.00 178.44 177.83 2ekx h ARG 28 N 0.02 0.68 0.00 1.13 3.08 0.12 -2.22 114.38 117.17 2ekx h ARG 28 Ca 0.50 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 2ekx h ARG 28 Cb 0.89 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2ekx h ARG 28 CO -0.92 0.71 -0.20 1.96 -1.07 0.00 0.00 179.97 180.45 2ekx h GLN 29 N 0.64 0.00 -0.93 0.04 1.08 0.46 -3.26 115.11 113.14 2ekx h GLN 29 Ca 0.13 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 57.56 2ekx h GLN 29 Cb 0.42 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.68 2ekx h GLN 29 CO 0.02 0.20 -0.04 -0.22 -0.95 0.00 0.00 178.83 177.84 2ekx h LYS 30 N 0.00 0.03 0.00 1.46 3.11 0.36 -3.45 116.57 118.09 2ekx h LYS 30 Ca -0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2ekx h LYS 30 Cb 0.82 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 2ekx h LYS 30 CO 0.03 0.02 0.00 0.41 -2.81 0.00 0.00 179.45 177.10 2ekx n GLY 31 N -1.51 0.64 2.91 5.01 0.00 -1.23 -5.02 105.19 105.98 2ekx n GLY 31 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.95 1.36 1.05 1.61 1.02 -1.26 -5.12 119.74 117.45 2ekx s LYS 32 Ca 0.00 -1.19 -0.22 0.00 0.02 0.00 0.00 55.97 54.58 2ekx s LYS 32 Cb 0.00 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2ekx s LYS 32 CO 0.00 -0.76 -0.63 -0.85 -0.92 0.00 0.00 175.35 172.19 2ekx n GLU 33 N 4.63 -0.97 -0.83 1.68 0.28 -1.26 -2.53 120.64 121.63 2ekx n GLU 33 Ca -0.06 -0.28 0.00 0.00 -0.16 0.00 0.00 57.16 56.66 2ekx n GLU 33 Cb 0.43 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.93 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 2.69 0.14 3.71 -1.84 0.00 -1.03 -4.61 105.19 104.26 2ekx n GLY 34 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ekx n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekx s ALA 35 N -1.36 3.81 0.29 4.61 0.00 -1.05 -1.65 121.76 126.41 2ekx s ALA 35 Ca 0.00 1.42 0.11 0.00 0.00 0.00 0.00 51.96 53.49 2ekx s ALA 35 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2ekx s ALA 35 CO 0.00 -0.91 -0.10 -0.59 0.00 0.00 0.00 175.76 174.15 2ekx s PHE 36 N 1.53 2.45 0.21 0.00 -0.71 0.54 0.42 117.98 122.42 2ekx s PHE 36 Ca 0.73 -0.34 -0.05 0.00 -1.04 0.00 0.00 56.93 56.23 2ekx s PHE 36 Cb -0.45 -1.17 0.02 0.00 -1.21 0.00 0.00 43.02 40.21 2ekx s PHE 36 CO 0.32 0.64 0.36 0.00 -1.34 0.00 0.00 175.22 175.20 2ekx n MET 37 N -0.77 0.52 -3.48 1.99 0.00 0.71 -0.34 117.12 115.74 2ekx n MET 37 Ca -0.05 -1.33 -0.09 0.00 0.00 0.00 0.00 57.70 56.23 2ekx n MET 37 Cb 0.60 1.49 -0.09 0.00 0.00 0.00 0.00 33.22 35.23 2ekx n MET 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2ekx s VAL 38 N -2.57 -0.61 0.62 3.17 1.01 -0.86 -3.01 120.40 118.16 2ekx s VAL 38 Ca 0.11 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2ekx s VAL 38 Cb -0.02 -0.73 0.11 0.00 0.00 0.00 0.00 36.38 35.74 2ekx s VAL 38 CO 0.08 -0.03 0.86 -2.11 0.00 0.00 0.00 175.10 173.90 2ekx n ARG 39 N 5.37 0.43 -4.91 2.72 1.85 -0.88 -0.01 116.66 121.23 2ekx n ARG 39 Ca -0.06 -3.06 -0.33 0.00 -1.00 0.00 0.00 57.85 53.41 2ekx n ARG 39 Cb 0.50 -0.34 -0.14 0.00 -1.05 0.00 0.00 32.46 31.43 2ekx n ARG 39 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2ekx s ASN 40 N -4.75 3.93 1.10 2.89 4.22 -1.26 -3.57 114.94 117.50 2ekx s ASN 40 Ca 0.63 -0.24 -0.10 0.00 -2.14 0.00 0.00 52.86 51.01 2ekx s ASN 40 Cb -0.05 -0.92 0.15 0.00 1.28 0.00 0.00 41.25 41.71 2ekx s ASN 40 CO 0.40 0.32 0.60 -0.24 -2.04 0.00 0.00 177.10 176.14 2ekx n SER 41 N 2.50 -1.14 -3.41 3.54 2.88 -0.95 -4.83 113.62 112.22 2ekx n SER 41 Ca -0.17 -0.95 -0.34 0.00 -1.33 0.00 0.00 58.87 56.08 2ekx n SER 41 Cb 0.52 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2ekx n SER 41 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ekx n SER 42 N -3.84 4.66 -4.07 -3.46 3.41 -1.26 -4.50 113.62 104.56 2ekx n SER 42 Ca 0.08 -2.54 -0.32 0.00 -0.26 0.00 0.00 58.87 55.83 2ekx n SER 42 Cb 0.31 -1.25 -0.08 0.00 -0.26 0.00 0.00 64.21 62.93 2ekx n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ekx n GLN 43 N 5.21 -0.84 -2.94 4.33 10.64 -1.26 -4.82 117.38 127.69 2ekx n GLN 43 Ca 0.52 0.10 -0.23 0.00 -1.83 0.00 0.00 57.00 55.57 2ekx n GLN 43 Cb 0.26 -3.60 -0.03 0.00 -0.86 0.00 0.00 30.24 26.02 2ekx n GLN 43 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2ekx n VAL 44 N -3.74 1.81 -2.70 -0.39 0.31 -1.26 -4.93 118.33 107.43 2ekx n VAL 44 Ca -0.06 -5.00 -0.10 0.00 -0.01 0.00 0.00 64.34 59.16 2ekx n VAL 44 Cb 0.47 -0.87 -0.02 0.00 -0.91 0.00 0.00 33.84 32.52 2ekx n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ekx n GLY 45 N -0.09 -0.39 3.33 2.92 0.00 -1.26 -4.85 105.19 104.84 2ekx n GLY 45 Ca 0.28 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.71 1.28 0.34 1.61 -1.94 -1.26 -5.10 119.30 109.51 2ekx s MET 46 Ca 0.20 -1.57 0.04 0.00 -1.71 0.00 0.00 55.69 52.66 2ekx s MET 46 Cb -0.12 -1.01 -0.02 0.00 2.01 0.00 0.00 34.83 35.69 2ekx s MET 46 CO 0.25 0.16 0.36 0.66 -0.01 0.00 0.00 175.02 176.43 2ekx n TYR 47 N -0.35 -1.03 -3.25 -0.03 4.01 -1.26 -2.23 117.16 113.02 2ekx n TYR 47 Ca -0.08 -2.62 -0.03 0.00 -0.16 0.00 0.00 57.90 55.01 2ekx n TYR 47 Cb 0.60 0.38 -0.04 0.00 -0.31 0.00 0.00 39.34 39.98 2ekx n TYR 47 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2ekx s THR 48 N -3.15 -0.80 -0.77 -0.72 2.01 -1.23 -3.70 115.64 107.28 2ekx s THR 48 Ca 0.36 -0.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 2ekx s THR 48 Cb 0.01 -0.91 0.11 0.00 0.01 0.00 0.00 72.50 71.71 2ekx s THR 48 CO 0.25 -0.07 0.99 -0.69 -0.69 0.00 0.00 174.62 174.42 2ekx s VAL 49 N 2.70 4.60 0.09 3.82 1.01 -0.74 -2.07 120.40 129.82 2ekx s VAL 49 Ca 0.16 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2ekx s VAL 49 Cb -0.15 -4.69 -0.05 0.00 0.00 0.00 0.00 36.38 31.49 2ekx s VAL 49 CO -0.19 -1.42 0.30 -0.44 0.00 0.00 0.00 175.10 173.35 2ekx s SER 50 N 3.62 6.44 -0.24 3.32 0.01 -1.16 -1.96 113.70 123.73 2ekx s SER 50 Ca 0.25 0.46 -0.22 0.00 1.31 0.00 0.00 55.95 57.76 2ekx s SER 50 Cb -0.13 -2.04 0.06 0.00 0.21 0.00 0.00 66.02 64.13 2ekx s SER 50 CO 0.01 0.12 0.64 -1.48 0.41 0.00 0.00 173.24 172.93 2ekx s LEU 51 N -2.49 -0.43 0.35 2.44 0.05 -0.18 -0.21 118.68 118.21 2ekx s LEU 51 Ca 0.37 1.28 -0.01 0.00 0.05 0.00 0.00 54.13 55.82 2ekx s LEU 51 Cb -0.13 2.18 -0.04 0.00 -2.05 0.00 0.00 46.19 46.16 2ekx s LEU 51 CO 0.25 -0.22 0.58 0.12 -0.55 0.00 0.00 176.35 176.53 2ekx s PHE 52 N 0.36 3.51 0.03 3.48 5.36 0.17 -0.70 117.98 130.17 2ekx s PHE 52 Ca -0.00 0.46 -0.28 0.00 -0.96 0.00 0.00 56.93 56.15 2ekx s PHE 52 Cb -0.04 -1.99 0.09 0.00 -0.34 0.00 0.00 43.02 40.74 2ekx s PHE 52 CO 0.01 0.08 0.89 0.45 -1.46 0.00 0.00 175.22 175.19 2ekx s SER 53 N -3.88 -0.34 0.04 6.13 0.15 -1.26 -2.46 113.70 112.09 2ekx s SER 53 Ca 0.42 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.99 2ekx s SER 53 Cb -0.10 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 2ekx s SER 53 CO 0.36 -0.68 -0.04 -0.75 1.20 0.00 0.00 173.24 173.34 2ekx s LYS 54 N -3.17 0.51 0.54 5.44 2.20 -1.26 -3.99 119.74 120.01 2ekx s LYS 54 Ca 0.06 -0.97 -0.09 0.00 -0.36 0.00 0.00 55.97 54.61 2ekx s LYS 54 Cb -0.01 0.11 0.13 0.00 -1.51 0.00 0.00 37.83 36.54 2ekx s LYS 54 CO -0.07 -0.07 0.61 0.00 -0.36 0.00 0.00 175.35 175.46 2ekx n ALA 55 N 0.76 -1.17 -2.22 3.13 0.00 -1.26 -4.90 120.51 114.84 2ekx n ALA 55 Ca -0.18 -0.84 -0.33 0.00 0.00 0.00 0.00 53.44 52.08 2ekx n ALA 55 Cb 0.58 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2ekx n ALA 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ekx s VAL 56 N -2.25 3.58 -1.27 0.00 1.01 -1.26 -3.70 120.40 116.51 2ekx s VAL 56 Ca 0.37 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2ekx s VAL 56 Cb -0.02 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 32.02 2ekx s VAL 56 CO 0.27 -1.28 0.96 0.59 0.00 0.00 0.00 175.10 175.64 2ekx n ASN 57 N 12.08 -2.72 -4.80 3.32 4.13 -1.26 -5.00 115.26 121.01 2ekx n ASN 57 Ca 0.32 -0.66 -0.23 0.00 1.68 0.00 0.00 54.58 55.69 2ekx n ASN 57 Cb 0.49 -4.80 0.08 0.00 -1.54 0.00 0.00 39.78 34.01 2ekx n ASN 57 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2ekx s ASP 58 N -4.13 4.69 -0.20 6.41 1.11 -1.24 -5.01 116.67 118.30 2ekx s ASP 58 Ca 0.14 -0.05 0.16 0.00 0.18 0.00 0.00 52.55 52.97 2ekx s ASP 58 Cb -0.06 -0.53 0.58 0.00 1.07 0.00 0.00 42.92 43.98 2ekx s ASP 58 CO 0.75 -1.61 1.49 2.29 1.18 0.00 0.00 175.17 179.28 2ekx n LYS 59 N -2.73 3.22 -3.63 8.23 0.00 -1.26 -4.94 118.16 117.04 2ekx n LYS 59 Ca 0.11 -2.92 -0.10 0.00 -0.00 0.00 0.00 58.31 55.39 2ekx n LYS 59 Cb 0.60 -1.93 -0.07 0.00 -0.00 0.00 0.00 35.03 33.63 2ekx n LYS 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2ekx s LYS 60 N -2.85 0.59 -0.07 -1.58 -2.85 -1.26 -5.16 119.74 106.56 2ekx s LYS 60 Ca 0.45 0.68 -0.03 0.00 -1.00 0.00 0.00 55.97 56.07 2ekx s LYS 60 Cb 0.36 0.29 0.04 0.00 -2.06 0.00 0.00 37.83 36.46 2ekx s LYS 60 CO 0.10 -0.08 0.08 0.20 0.10 0.00 0.00 175.35 175.75 2ekx s GLY 61 N 0.22 0.20 -0.13 0.59 0.00 -1.26 -4.45 107.32 102.49 2ekx s GLY 61 Ca 0.02 0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.80 2ekx s GLY 61 CO -0.04 1.49 0.25 -1.59 0.00 0.00 0.00 173.10 173.20 2ekx s THR 62 N 2.19 5.33 0.26 0.90 2.01 -1.26 -4.92 115.64 120.15 2ekx s THR 62 Ca 0.04 0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.20 2ekx s THR 62 Cb -0.13 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 2ekx s THR 62 CO -0.04 0.49 1.14 -0.69 -0.69 0.00 0.00 174.62 174.82 2ekx s VAL 63 N -0.18 3.44 -0.24 3.82 1.01 -1.26 -4.33 120.40 122.67 2ekx s VAL 63 Ca 0.16 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.42 2ekx s VAL 63 Cb -0.13 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2ekx s VAL 63 CO 0.04 0.31 0.20 -0.54 0.00 0.00 0.00 175.10 175.12 2ekx s LYS 64 N -1.23 4.07 -0.15 2.72 3.01 0.12 -4.98 119.74 123.30 2ekx s LYS 64 Ca 0.46 -0.20 -0.03 0.00 -1.01 0.00 0.00 55.97 55.19 2ekx s LYS 64 Cb -0.33 -3.56 -0.03 0.00 -1.01 0.00 0.00 37.83 32.91 2ekx s LYS 64 CO 0.41 0.01 -0.04 -3.38 0.51 0.00 0.00 175.35 172.86 2ekx s HIS 65 N 1.22 3.02 0.06 3.18 -3.43 -1.26 -1.01 115.29 117.06 2ekx s HIS 65 Ca 0.09 -0.28 0.07 0.00 -0.80 0.00 0.00 55.06 54.14 2ekx s HIS 65 Cb -0.14 -1.94 -0.03 0.00 -1.43 0.00 0.00 32.58 29.04 2ekx s HIS 65 CO 0.06 -0.01 -0.18 0.71 -2.00 0.00 0.00 174.74 173.32 2ekx s TYR 66 N 0.28 2.56 -0.34 0.38 2.02 -0.83 -4.99 117.35 116.44 2ekx s TYR 66 Ca -0.03 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2ekx s TYR 66 Cb -0.14 -1.44 0.09 0.00 -0.40 0.00 0.00 41.96 40.07 2ekx s TYR 66 CO 0.03 0.29 0.06 -1.01 -1.57 0.00 0.00 175.55 173.35 2ekx s HIS 67 N -0.99 3.57 0.10 2.71 3.76 -1.26 -1.79 115.29 121.39 2ekx s HIS 67 Ca 0.16 -2.57 -0.24 0.00 -0.15 0.00 0.00 55.06 52.26 2ekx s HIS 67 Cb -0.11 -2.72 -0.13 0.00 1.11 0.00 0.00 32.58 30.73 2ekx s HIS 67 CO 0.07 -0.92 0.52 1.55 -0.85 0.00 0.00 174.74 175.11 2ekx n VAL 68 N 4.43 0.97 -4.99 -0.90 3.14 -1.24 -4.94 118.33 114.79 2ekx n VAL 68 Ca -0.03 -0.24 -0.32 0.00 -2.96 0.00 0.00 64.34 60.78 2ekx n VAL 68 Cb 0.42 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.05 2ekx n VAL 68 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2ekx s HIS 69 N -0.48 2.67 0.12 1.45 3.76 -1.23 -4.89 115.29 116.69 2ekx s HIS 69 Ca 0.54 -0.70 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 2ekx s HIS 69 Cb -0.77 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 2ekx s HIS 69 CO 0.41 -0.22 0.26 0.99 -0.85 0.00 0.00 174.74 175.34 2ekx s THR 70 N 0.12 5.33 0.36 1.30 2.01 -1.26 -1.51 115.64 121.99 2ekx s THR 70 Ca -0.09 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2ekx s THR 70 Cb -0.15 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.68 2ekx s THR 70 CO 0.06 -0.03 0.27 -3.20 -0.69 0.00 0.00 174.62 171.03 2ekx n ASN 71 N -0.31 2.16 -0.34 3.53 2.85 0.62 -4.87 115.26 118.89 2ekx n ASN 71 Ca -0.06 -2.24 -0.03 0.00 -0.11 0.00 0.00 54.58 52.13 2ekx n ASN 71 Cb 0.53 -0.03 0.09 0.00 1.24 0.00 0.00 39.78 41.62 2ekx n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ekx h ALA 72 N 0.70 1.15 -0.62 5.20 0.00 -2.00 -1.97 119.26 121.71 2ekx h ALA 72 Ca -0.23 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.25 2ekx h ALA 72 Cb 0.84 -0.37 -0.19 0.00 0.00 0.00 0.00 17.79 18.07 2ekx h ALA 72 CO 0.36 0.55 0.47 0.39 0.00 0.00 0.00 179.25 181.02 2ekx n GLU 73 N -4.46 1.90 -3.96 0.00 1.02 -1.26 -4.83 120.64 109.05 2ekx n GLU 73 Ca 0.10 -1.95 -0.31 0.00 -0.02 0.00 0.00 57.16 54.98 2ekx n GLU 73 Cb 0.01 -1.76 0.02 0.00 -0.02 0.00 0.00 31.44 29.69 2ekx n GLU 73 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2ekx n ASN 74 N -0.29 -4.56 -4.65 1.62 2.85 -0.74 -4.94 115.26 104.55 2ekx n ASN 74 Ca 0.38 -0.81 -0.37 0.00 -0.11 0.00 0.00 54.58 53.67 2ekx n ASN 74 Cb 0.95 -3.66 -0.09 0.00 1.24 0.00 0.00 39.78 38.22 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2ekx s LYS 75 N -6.67 4.07 0.10 1.20 -0.14 -1.25 -4.75 119.74 112.29 2ekx s LYS 75 Ca 0.68 -0.14 -0.20 0.00 -1.36 0.00 0.00 55.97 54.95 2ekx s LYS 75 Cb -0.35 -3.57 -0.07 0.00 -1.68 0.00 0.00 37.83 32.17 2ekx s LYS 75 CO 0.84 -0.03 0.61 -0.51 -0.76 0.00 0.00 175.35 175.50 2ekx s LEU 76 N 1.30 4.52 -0.28 3.17 1.43 -1.26 -0.28 118.68 127.28 2ekx s LEU 76 Ca 0.11 1.32 -0.19 0.00 -1.03 0.00 0.00 54.13 54.33 2ekx s LEU 76 Cb -0.14 -3.02 0.09 0.00 0.03 0.00 0.00 46.19 43.15 2ekx s LEU 76 CO 0.07 0.24 0.77 -0.72 0.23 0.00 0.00 176.35 176.94 2ekx s TYR 77 N -1.16 -0.87 -0.07 0.29 -0.85 -0.57 -2.98 117.35 111.13 2ekx s TYR 77 Ca 0.31 1.86 -0.09 0.00 -0.52 0.00 0.00 57.07 58.63 2ekx s TYR 77 Cb -0.20 0.47 -0.29 0.00 0.38 0.00 0.00 41.96 42.32 2ekx s TYR 77 CO 0.20 -0.43 0.56 -0.07 -1.52 0.00 0.00 175.55 174.29 2ekx h LEU 78 N 6.05 0.53 -9.54 -3.49 3.38 -1.86 -3.25 115.31 107.13 2ekx h LEU 78 Ca -0.29 -0.92 -0.67 0.00 0.09 0.00 0.00 57.88 56.09 2ekx h LEU 78 Cb 1.20 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 2ekx h LEU 78 CO 0.13 1.80 -0.51 0.00 0.09 0.00 0.00 178.44 179.95 2ekx s ALA 79 N -2.57 3.75 0.86 1.53 0.00 -1.26 -4.96 121.76 119.11 2ekx s ALA 79 Ca -0.18 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2ekx s ALA 79 Cb 0.06 -1.89 0.12 0.00 0.00 0.00 0.00 23.12 21.40 2ekx s ALA 79 CO 0.82 0.58 1.16 -1.21 0.00 0.00 0.00 175.76 177.11 2ekx s GLU 80 N -0.88 1.35 -1.69 0.00 2.02 -1.26 -2.76 118.70 115.47 2ekx s GLU 80 Ca 0.14 1.60 0.00 0.00 0.02 0.00 0.00 54.97 56.73 2ekx s GLU 80 Cb -0.12 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.35 2ekx s GLU 80 CO 0.03 -2.40 0.00 0.09 0.02 0.00 0.00 175.26 173.00 2ekx n ASN 81 N -3.82 -5.19 -3.84 -0.19 4.13 -1.26 -4.95 115.26 100.13 2ekx n ASN 81 Ca 0.12 0.17 -0.12 0.00 1.68 0.00 0.00 54.58 56.43 2ekx n ASN 81 Cb 0.52 -4.43 -0.12 0.00 -1.54 0.00 0.00 39.78 34.20 2ekx n ASN 81 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2ekx s TYR 82 N -2.81 -0.09 0.10 3.10 2.02 -1.11 -5.17 117.35 113.39 2ekx s TYR 82 Ca 0.00 0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 2ekx s TYR 82 Cb 0.00 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.54 2ekx s TYR 82 CO 0.00 -0.11 -0.05 0.00 -1.57 0.00 0.00 175.55 173.81 2ekx n PHE 84 N -0.05 -0.56 -0.08 0.00 3.01 -1.16 -5.03 117.46 113.60 2ekx n PHE 84 Ca -0.12 -1.52 -0.05 0.00 1.01 0.00 0.00 57.45 56.77 2ekx n PHE 84 Cb 0.61 0.19 -0.15 0.00 -0.01 0.00 0.00 39.48 40.12 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 -2.18 0.25 -3.10 4.37 2.03 -1.26 -4.55 116.55 112.10 2ekx n ASP 85 Ca 0.04 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.29 2ekx n ASP 85 Cb 0.34 1.18 0.02 0.00 -0.72 0.00 0.00 41.12 41.94 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 -5.17 0.02 0.01 1.67 0.01 -1.26 -4.94 113.70 104.05 2ekx s SER 86 Ca -0.09 -0.93 -0.26 0.00 1.31 0.00 0.00 55.95 55.98 2ekx s SER 86 Cb 0.07 0.67 -0.15 0.00 0.21 0.00 0.00 66.02 66.82 2ekx s SER 86 CO 0.80 -1.34 1.17 0.40 0.41 0.00 0.00 173.24 174.69 2ekx h ILE 87 N 2.00 0.26 0.00 1.44 2.04 -1.97 -2.96 117.51 118.32 2ekx h ILE 87 Ca -0.30 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2ekx h ILE 87 Cb 1.23 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2ekx h ILE 87 CO 0.39 0.04 0.00 -0.81 0.00 0.00 0.00 178.15 177.77 2ekx n PRO 88 N -5.31 0.37 0.04 2.37 -0.04 -1.26 -1.99 135.00 129.18 2ekx n PRO 88 Ca -0.11 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 2ekx n PRO 88 Cb 0.33 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.11 0.38 -0.03 0.54 3.00 -1.13 -4.09 118.16 115.71 2ekx n LYS 89 Ca 0.10 0.01 -0.22 0.00 -0.00 0.00 0.00 58.31 58.20 2ekx n LYS 89 Cb 0.08 -1.64 -0.13 0.00 0.00 0.00 0.00 35.03 33.34 2ekx n LYS 89 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2ekx n LEU 90 N -2.13 2.43 -0.22 3.14 0.00 -0.84 -4.27 117.00 115.10 2ekx n LEU 90 Ca 0.01 0.26 0.02 0.00 0.00 0.00 0.00 56.01 56.30 2ekx n LEU 90 Cb 0.47 -1.07 0.14 0.00 0.00 0.00 0.00 43.42 42.96 2ekx n LEU 90 CO 0.40 0.70 0.97 0.40 0.00 0.00 0.00 177.39 179.86 2ekx h ILE 91 N -0.25 0.68 -0.74 1.96 1.08 -1.73 0.48 117.51 118.99 2ekx h ILE 91 Ca -0.42 -0.12 0.21 0.00 -0.39 0.00 0.00 64.86 64.14 2ekx h ILE 91 Cb 1.82 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 2ekx h ILE 91 CO -0.01 0.07 1.07 -0.74 -0.69 0.00 0.00 178.15 177.84 2ekx h HIS 92 N 0.36 0.00 0.00 1.37 2.76 -1.74 0.45 115.15 118.35 2ekx h HIS 92 Ca 0.35 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.44 2ekx h HIS 92 Cb 0.50 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2ekx h HIS 92 CO -0.20 0.00 -0.95 0.66 -1.30 0.00 0.00 177.93 176.14 2ekx n TYR 93 N -3.14 0.57 0.12 5.26 4.02 0.14 -4.41 117.16 119.72 2ekx n TYR 93 Ca 0.16 0.25 -0.13 0.00 -0.01 0.00 0.00 57.90 58.18 2ekx n TYR 93 Cb 1.30 -0.75 -0.06 0.00 -0.02 0.00 0.00 39.34 39.81 2ekx n TYR 93 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2ekx h HIS 94 N -1.00 -0.63 -1.31 -0.72 3.86 -0.82 0.13 115.15 114.66 2ekx h HIS 94 Ca -0.11 0.01 0.38 0.00 -1.16 0.00 0.00 60.37 59.49 2ekx h HIS 94 Cb 0.87 0.26 -0.05 0.00 1.06 0.00 0.00 27.41 29.55 2ekx h HIS 94 CO -0.23 -0.34 1.20 0.94 0.86 0.00 0.00 177.93 180.36 2ekx n GLN 95 N -5.36 0.01 0.00 2.45 7.27 0.14 -2.30 117.38 119.59 2ekx n GLN 95 Ca -0.07 0.96 0.00 0.00 0.07 0.00 0.00 57.00 57.96 2ekx n GLN 95 Cb 0.27 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 30.61 2ekx n GLN 95 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2ekx n HIS 96 N -3.36 0.00 -4.50 3.69 8.25 -0.52 -4.80 115.22 113.99 2ekx n HIS 96 Ca 0.29 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.47 2ekx n HIS 96 Cb 1.59 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 32.54 2ekx n HIS 96 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2ekx s ASN 97 N -4.12 2.46 0.94 0.41 0.01 0.33 -4.94 114.94 110.03 2ekx s ASN 97 Ca 0.00 -0.44 -0.14 0.00 -0.71 0.00 0.00 52.86 51.57 2ekx s ASN 97 Cb 0.00 -1.11 -0.02 0.00 0.41 0.00 0.00 41.25 40.54 2ekx s ASN 97 CO 0.00 0.02 0.10 -1.54 -1.51 0.00 0.00 177.10 174.18 2ekx n SER 98 N 4.16 -3.04 -0.08 -1.22 3.41 -1.25 -3.73 113.62 111.86 2ekx n SER 98 Ca -0.19 0.32 -0.14 0.00 -0.26 0.00 0.00 58.87 58.59 2ekx n SER 98 Cb 0.51 -1.09 -0.09 0.00 -0.26 0.00 0.00 64.21 63.28 2ekx n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ekx h ALA 99 N -1.31 0.11 0.00 7.33 0.00 -1.92 -3.47 119.26 120.00 2ekx h ALA 99 Ca -0.44 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.73 2ekx h ALA 99 Cb 1.29 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2ekx h ALA 99 CO 0.32 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2ekx n GLY 100 N 1.56 -0.07 0.90 0.00 0.00 -1.26 -5.03 105.19 101.28 2ekx n GLY 100 Ca -0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 2ekx n GLY 100 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ekx n MET 101 N -1.58 0.08 -1.14 1.61 0.00 -1.26 -5.05 117.12 109.77 2ekx n MET 101 Ca 0.00 0.03 -0.39 0.00 -0.00 0.00 0.00 57.70 57.34 2ekx n MET 101 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 33.22 32.56 2ekx n MET 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2ekx n ILE 102 N -3.48 1.50 -1.67 1.12 2.08 -1.26 -4.84 119.36 112.80 2ekx n ILE 102 Ca -0.04 -0.41 -0.35 0.00 0.56 0.00 0.00 62.75 62.51 2ekx n ILE 102 Cb 0.23 0.00 0.07 0.00 -0.75 0.00 0.00 39.64 39.19 2ekx n ILE 102 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2ekx s THR 103 N -0.90 2.52 -0.68 1.39 2.01 -1.26 -4.61 115.64 114.11 2ekx s THR 103 Ca 0.52 0.28 -0.26 0.00 0.31 0.00 0.00 61.69 62.54 2ekx s THR 103 Cb -0.73 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2ekx s THR 103 CO 0.47 -0.11 1.75 -0.13 -0.69 0.00 0.00 174.62 175.91 2ekx s ARG 104 N -3.73 2.75 -0.88 4.92 0.52 -1.26 -4.87 118.95 116.40 2ekx s ARG 104 Ca 0.75 0.30 -0.23 0.00 -0.52 0.00 0.00 55.73 56.03 2ekx s ARG 104 Cb -0.29 -4.46 -0.22 0.00 0.52 0.00 0.00 34.95 30.51 2ekx s ARG 104 CO 0.41 -2.69 2.45 1.28 0.02 0.00 0.00 175.30 176.77 2ekx n LEU 105 N 12.18 0.37 0.12 2.53 4.77 -1.26 -4.77 117.00 130.94 2ekx n LEU 105 Ca 0.20 -0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 2ekx n LEU 105 Cb 0.51 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 2ekx n LEU 105 CO 0.70 -1.36 0.78 0.03 -1.33 0.00 0.00 177.39 176.21 2ekx h ARG 106 N 13.24 -0.23 -2.00 3.23 3.08 -1.61 -3.45 114.38 126.64 2ekx h ARG 106 Ca -0.05 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2ekx h ARG 106 Cb 1.21 0.05 -0.20 0.00 0.08 0.00 0.00 29.97 31.11 2ekx h ARG 106 CO 1.36 -0.11 0.17 -1.01 -1.07 0.00 0.00 179.97 179.31 2ekx s HIS 107 N -5.94 -0.71 0.82 3.04 3.76 -1.23 -4.97 115.29 110.05 2ekx s HIS 107 Ca -0.14 1.41 -0.11 0.00 -0.15 0.00 0.00 55.06 56.07 2ekx s HIS 107 Cb 0.05 0.36 0.08 0.00 1.11 0.00 0.00 32.58 34.18 2ekx s HIS 107 CO 0.64 -0.53 1.09 -1.25 -0.85 0.00 0.00 174.74 173.85 2ekx s PRO 108 N -0.64 1.90 -0.13 8.40 0.04 -1.26 -0.34 135.00 142.96 2ekx s PRO 108 Ca -0.07 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 61.92 2ekx s PRO 108 Cb -0.02 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.70 2ekx s PRO 108 CO 0.07 -1.86 0.34 0.08 0.04 0.00 0.00 177.00 175.67 2ekx s VAL 109 N -2.91 -0.01 0.00 -0.36 1.01 0.53 -4.70 120.40 113.96 2ekx s VAL 109 Ca 0.62 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2ekx s VAL 109 Cb -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.72 2ekx s VAL 109 CO 0.56 0.02 0.44 -1.54 0.00 0.00 0.00 175.10 174.59