#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 -2.29 -4.16 1.61 3.41 -1.26 -4.88 113.62 106.05 2ekx n SER 2 Ca 0.00 -1.07 -0.39 0.00 -0.26 0.00 0.00 58.87 57.15 2ekx n SER 2 Cb 0.00 -2.50 -0.06 0.00 -0.26 0.00 0.00 64.21 61.40 2ekx n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ekx s SER 3 N -3.52 6.16 0.00 4.04 0.01 -1.26 -4.89 113.70 114.23 2ekx s SER 3 Ca 0.60 -3.47 0.00 0.00 1.31 0.00 0.00 55.95 54.39 2ekx s SER 3 Cb -0.33 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2ekx s SER 3 CO 0.95 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.94 2ekx n GLY 4 N 2.73 1.35 3.19 3.44 0.00 -1.26 -5.12 105.19 109.52 2ekx n GLY 4 Ca 0.19 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2ekx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ekx s SER 5 N 1.00 2.78 0.21 1.61 1.04 -1.26 -5.03 113.70 114.04 2ekx s SER 5 Ca 0.00 -0.49 -0.22 0.00 0.48 0.00 0.00 55.95 55.72 2ekx s SER 5 Cb 0.00 -1.11 0.13 0.00 0.10 0.00 0.00 66.02 65.14 2ekx s SER 5 CO 0.00 0.16 1.55 0.77 0.98 0.00 0.00 173.24 176.70 2ekx h SER 6 N 6.56 -1.69 -2.62 7.02 4.64 -2.00 -3.47 113.55 121.99 2ekx h SER 6 Ca -0.25 0.32 0.30 0.00 -0.47 0.00 0.00 61.79 61.69 2ekx h SER 6 Cb 1.21 0.83 -0.08 0.00 -0.31 0.00 0.00 62.40 64.05 2ekx h SER 6 CO 0.47 -0.27 -0.40 0.61 -0.87 0.00 0.00 176.83 176.37 2ekx n GLY 7 N -1.40 -1.57 2.37 -0.77 0.00 -1.26 -4.30 105.19 98.27 2ekx n GLY 7 Ca 0.07 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 6.43 -0.06 0.99 4.77 -1.26 -4.59 117.00 123.27 2ekx n LEU 8 Ca 0.01 -4.66 -0.21 0.00 -0.03 0.00 0.00 56.01 51.11 2ekx n LEU 8 Cb 0.51 -0.73 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 2ekx n LEU 8 CO 0.01 1.82 -0.99 -0.67 -1.33 0.00 0.00 177.39 176.23 2ekx n ASP 9 N -0.72 2.03 -0.27 -1.43 2.03 -1.26 -4.33 116.55 112.61 2ekx n ASP 9 Ca 0.52 0.14 0.19 0.00 0.52 0.00 0.00 54.79 56.16 2ekx n ASP 9 Cb 0.67 -0.74 0.35 0.00 -0.72 0.00 0.00 41.12 40.68 2ekx n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ekx n ASP 10 N -3.61 0.09 -3.20 1.67 2.03 -1.26 -4.39 116.55 107.88 2ekx n ASP 10 Ca -0.38 1.35 -0.27 0.00 0.52 0.00 0.00 54.79 56.01 2ekx n ASP 10 Cb 0.97 -0.57 0.26 0.00 -0.72 0.00 0.00 41.12 41.05 2ekx n ASP 10 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2ekx n TYR 11 N -4.98 -3.58 0.00 -0.67 4.01 -1.26 -4.99 117.16 105.69 2ekx n TYR 11 Ca 0.25 -0.71 0.00 0.00 -0.16 0.00 0.00 57.90 57.28 2ekx n TYR 11 Cb 0.82 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 2ekx n TYR 11 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2ekx n ASP 12 N -5.42 0.15 -1.02 7.72 8.00 -1.26 -4.60 116.55 120.11 2ekx n ASP 12 Ca 0.12 -0.46 0.12 0.00 0.71 0.00 0.00 54.79 55.28 2ekx n ASP 12 Cb 0.53 0.94 0.18 0.00 -0.02 0.00 0.00 41.12 42.74 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 -0.96 0.24 -3.54 1.24 4.27 -1.26 -2.31 117.44 115.12 2ekx n TRP 13 Ca 0.00 -0.12 -0.41 0.00 -3.89 0.00 0.00 57.50 53.08 2ekx n TRP 13 Cb 0.00 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 29.87 2ekx n TRP 13 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2ekx s PHE 14 N -1.76 3.42 -0.05 -2.67 5.36 -1.26 0.23 117.98 121.24 2ekx s PHE 14 Ca 0.34 -1.84 -0.24 0.00 -0.96 0.00 0.00 56.93 54.23 2ekx s PHE 14 Cb 0.21 -3.50 -0.25 0.00 -0.34 0.00 0.00 43.02 39.14 2ekx s PHE 14 CO 0.31 -0.99 0.99 0.00 -1.46 0.00 0.00 175.22 174.07 2ekx h ALA 15 N 8.47 0.02 0.00 11.12 0.00 -1.12 -3.45 119.26 134.30 2ekx h ALA 15 Ca -0.22 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2ekx h ALA 15 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ekx h ALA 15 CO 0.87 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.67 2ekx n GLY 16 N 1.18 -0.79 3.60 0.00 0.00 -1.04 -4.91 105.19 103.23 2ekx n GLY 16 Ca -0.10 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 2ekx n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ekx s ASN 17 N -4.00 5.54 0.23 1.61 4.22 -1.26 -3.22 114.94 118.05 2ekx s ASN 17 Ca 0.00 1.77 0.01 0.00 -2.14 0.00 0.00 52.86 52.50 2ekx s ASN 17 Cb 0.00 -2.51 -0.05 0.00 1.28 0.00 0.00 41.25 39.97 2ekx s ASN 17 CO 0.00 -1.91 0.08 0.27 -2.04 0.00 0.00 177.10 173.49 2ekx s ILE 18 N 8.03 0.50 0.48 0.54 -4.36 -1.26 -5.02 121.20 120.11 2ekx s ILE 18 Ca 0.96 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 59.45 2ekx s ILE 18 Cb -0.31 -2.48 0.04 0.00 1.25 0.00 0.00 42.46 40.96 2ekx s ILE 18 CO 0.35 -0.13 0.66 -0.44 0.24 0.00 0.00 174.94 175.62 2ekx s SER 19 N -3.25 5.44 0.34 4.36 0.01 -1.26 -4.90 113.70 114.44 2ekx s SER 19 Ca 0.34 -0.57 0.07 0.00 1.31 0.00 0.00 55.95 57.11 2ekx s SER 19 Cb 0.07 -0.31 0.63 0.00 0.21 0.00 0.00 66.02 66.62 2ekx s SER 19 CO 0.11 -0.99 1.83 -0.09 0.41 0.00 0.00 173.24 174.51 2ekx h ARG 20 N 0.45 0.29 0.17 12.44 2.43 -2.02 -1.32 114.38 126.82 2ekx h ARG 20 Ca -0.36 -0.09 -0.27 0.00 -0.81 0.00 0.00 59.98 58.44 2ekx h ARG 20 Cb 1.28 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.82 2ekx h ARG 20 CO 0.44 0.49 -1.29 0.77 -1.51 0.00 0.00 179.97 178.87 2ekx h SER 21 N 0.27 0.56 0.85 -3.80 0.02 -2.00 -3.33 113.55 106.11 2ekx h SER 21 Ca 0.05 -0.91 -0.04 0.00 -0.84 0.00 0.00 61.79 60.04 2ekx h SER 21 Cb 0.52 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.89 2ekx h SER 21 CO 0.04 1.60 -0.41 1.56 -1.14 0.00 0.00 176.83 178.48 2ekx h GLN 22 N -0.16 -1.10 -0.72 3.45 7.50 -1.93 0.28 115.11 122.43 2ekx h GLN 22 Ca -0.25 0.07 0.06 0.00 0.50 0.00 0.00 58.65 59.04 2ekx h GLN 22 Cb 1.87 0.25 -0.09 0.00 0.05 0.00 0.00 27.48 29.57 2ekx h GLN 22 CO 0.16 -0.73 -0.42 -1.13 -1.50 0.00 0.00 178.83 175.20 2ekx n SER 23 N -5.19 -0.76 0.11 1.46 3.41 -0.51 -0.06 113.62 112.09 2ekx n SER 23 Ca -0.14 1.37 -0.13 0.00 -0.26 0.00 0.00 58.87 59.70 2ekx n SER 23 Cb 0.45 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 2ekx n SER 23 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ekx h GLU 24 N 0.00 -0.24 -0.26 4.33 5.08 -1.66 -2.22 114.58 119.60 2ekx h GLU 24 Ca 0.11 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 2ekx h GLU 24 Cb 0.29 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2ekx h GLU 24 CO -0.67 0.01 0.69 0.37 -1.00 0.00 0.00 179.01 178.40 2ekx h GLN 25 N -0.48 0.00 0.00 2.33 4.15 0.17 -1.46 115.11 119.82 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 0.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2ekx h GLN 25 CO 0.04 0.00 -0.32 -0.07 -1.93 0.00 0.00 178.83 176.56 2ekx h LEU 26 N 0.00 0.00 -0.98 -2.39 3.38 -0.02 -2.80 115.31 112.50 2ekx h LEU 26 Ca 0.12 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.42 2ekx h LEU 26 Cb 1.50 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.08 2ekx h LEU 26 CO -0.00 0.59 0.34 -0.07 0.09 0.00 0.00 178.44 179.39 2ekx h LEU 27 N -0.86 0.07 0.14 1.67 3.38 -0.71 0.26 115.31 119.26 2ekx h LEU 27 Ca 0.00 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2ekx h LEU 27 Cb 0.32 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2ekx h LEU 27 CO 0.00 -0.31 -0.07 0.03 0.09 0.00 0.00 178.44 178.18 2ekx h ARG 28 N 0.09 -0.18 -1.10 1.13 3.08 -1.51 -3.25 114.38 112.64 2ekx h ARG 28 Ca 0.71 0.01 0.30 0.00 0.07 0.00 0.00 59.98 61.07 2ekx h ARG 28 Cb 1.66 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.68 2ekx h ARG 28 CO -0.77 0.24 0.74 1.96 -1.07 0.00 0.00 179.97 181.08 2ekx h GLN 29 N -0.90 0.21 -0.54 0.04 1.08 -0.77 -2.07 115.11 112.16 2ekx h GLN 29 Ca -0.02 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 2ekx h GLN 29 Cb 0.51 -0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.82 2ekx h GLN 29 CO 0.03 0.14 -0.46 -0.22 -0.95 0.00 0.00 178.83 177.37 2ekx h LYS 30 N 0.21 -0.17 0.00 1.46 1.63 -0.61 -3.46 116.57 115.63 2ekx h LYS 30 Ca 0.58 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.40 2ekx h LYS 30 Cb 1.84 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.51 2ekx h LYS 30 CO -0.18 -0.11 0.00 0.41 -3.45 0.00 0.00 179.45 176.12 2ekx n GLY 31 N -1.26 1.00 3.24 5.01 0.00 -0.78 -5.10 105.19 107.31 2ekx n GLY 31 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2ekx n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ekx s LYS 32 N -0.14 1.01 0.40 1.61 -2.85 -1.26 -5.15 119.74 113.35 2ekx s LYS 32 Ca 0.00 -1.17 -0.04 0.00 -1.00 0.00 0.00 55.97 53.76 2ekx s LYS 32 Cb 0.00 -1.01 -0.04 0.00 -2.06 0.00 0.00 37.83 34.72 2ekx s LYS 32 CO 0.00 0.21 0.68 -1.21 0.10 0.00 0.00 175.35 175.13 2ekx s GLU 33 N -2.31 3.58 -1.90 1.78 0.41 -1.26 -4.12 118.70 114.87 2ekx s GLU 33 Ca 0.06 0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.69 2ekx s GLU 33 Cb -0.07 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 2ekx s GLU 33 CO 0.03 -0.01 0.00 0.41 -0.49 0.00 0.00 175.26 175.20 2ekx n GLY 34 N -1.74 0.49 3.70 -1.39 0.00 -1.24 -4.38 105.19 100.62 2ekx n GLY 34 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.89 3.38 0.25 4.61 0.00 -1.22 -0.57 121.76 125.32 2ekx s ALA 35 Ca 0.00 0.65 0.08 0.00 0.00 0.00 0.00 51.96 52.68 2ekx s ALA 35 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 2ekx s ALA 35 CO 0.00 -0.54 -0.11 -0.59 0.00 0.00 0.00 175.76 174.53 2ekx s PHE 36 N 1.59 1.87 0.27 0.00 -0.71 -0.27 -0.25 117.98 120.48 2ekx s PHE 36 Ca 0.55 -0.61 -0.04 0.00 -1.04 0.00 0.00 56.93 55.79 2ekx s PHE 36 Cb -0.25 -0.96 0.02 0.00 -1.21 0.00 0.00 43.02 40.62 2ekx s PHE 36 CO 0.25 0.35 0.41 0.00 -1.34 0.00 0.00 175.22 174.90 2ekx n MET 37 N -0.50 0.60 -3.52 1.99 0.00 0.15 0.12 117.12 115.96 2ekx n MET 37 Ca -0.07 -1.96 -0.10 0.00 0.00 0.00 0.00 57.70 55.57 2ekx n MET 37 Cb 0.62 2.00 -0.10 0.00 0.00 0.00 0.00 33.22 35.75 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 -2.63 -0.57 0.40 3.17 1.01 0.63 -3.02 120.40 119.39 2ekx s VAL 38 Ca 0.19 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.32 2ekx s VAL 38 Cb -0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2ekx s VAL 38 CO 0.14 -0.02 0.20 0.00 0.00 0.00 0.00 175.10 175.42 2ekx s ARG 39 N 2.54 2.29 -0.08 2.72 1.70 0.37 -0.78 118.95 127.71 2ekx s ARG 39 Ca 0.05 -1.75 -0.12 0.00 -0.47 0.00 0.00 55.73 53.44 2ekx s ARG 39 Cb -0.14 -2.07 -0.05 0.00 -0.57 0.00 0.00 34.95 32.12 2ekx s ARG 39 CO -0.13 -0.09 0.30 1.21 -1.08 0.00 0.00 175.30 175.51 2ekx s ASN 40 N -3.93 6.59 1.07 -2.89 2.47 -1.20 -1.08 114.94 115.98 2ekx s ASN 40 Ca 0.41 0.70 -0.13 0.00 0.42 0.00 0.00 52.86 54.27 2ekx s ASN 40 Cb 0.02 -2.18 0.20 0.00 -1.45 0.00 0.00 41.25 37.84 2ekx s ASN 40 CO 0.23 0.28 0.46 -1.20 -3.72 0.00 0.00 177.10 173.16 2ekx n SER 41 N 2.37 -3.03 -3.88 -4.21 7.64 -1.13 -4.63 113.62 106.74 2ekx n SER 41 Ca -0.15 -0.47 -0.38 0.00 1.01 0.00 0.00 58.87 58.88 2ekx n SER 41 Cb 0.53 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 2ekx n SER 41 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ekx n SER 42 N -2.88 2.25 -3.99 6.43 2.88 -1.26 -4.26 113.62 112.78 2ekx n SER 42 Ca 0.07 -2.63 -0.31 0.00 -1.33 0.00 0.00 58.87 54.67 2ekx n SER 42 Cb 0.32 -1.17 -0.07 0.00 -0.75 0.00 0.00 64.21 62.54 2ekx n SER 42 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2ekx n GLN 43 N 7.57 -0.84 -0.09 -1.46 7.27 -1.26 -4.75 117.38 123.82 2ekx n GLN 43 Ca 0.47 0.10 0.09 0.00 0.07 0.00 0.00 57.00 57.73 2ekx n GLN 43 Cb 0.43 -3.49 0.13 0.00 2.41 0.00 0.00 30.24 29.72 2ekx n GLN 43 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2ekx n VAL 44 N -3.61 1.79 0.00 1.69 3.14 -1.26 -4.99 118.33 115.09 2ekx n VAL 44 Ca -0.05 -2.06 0.00 0.00 -2.96 0.00 0.00 64.34 59.28 2ekx n VAL 44 Cb 0.45 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 2ekx n VAL 44 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ekx n GLY 45 N -1.23 1.50 3.03 7.55 0.00 -1.26 -4.97 105.19 109.82 2ekx n GLY 45 Ca 0.14 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 2ekx n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ekx n MET 46 N 0.00 -2.75 -4.27 1.61 2.81 -1.26 -4.82 117.12 108.43 2ekx n MET 46 Ca 0.00 -0.82 -0.15 0.00 -1.81 0.00 0.00 57.70 54.93 2ekx n MET 46 Cb 0.00 -1.54 -0.10 0.00 -0.71 0.00 0.00 33.22 30.87 2ekx n MET 46 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ekx s TYR 47 N -2.07 1.38 -0.09 2.03 2.02 -1.26 -2.83 117.35 116.53 2ekx s TYR 47 Ca 0.40 -1.26 -0.06 0.00 -0.37 0.00 0.00 57.07 55.78 2ekx s TYR 47 Cb -0.07 -0.76 0.04 0.00 -0.40 0.00 0.00 41.96 40.76 2ekx s TYR 47 CO 0.35 -0.46 0.23 0.99 -1.57 0.00 0.00 175.55 175.09 2ekx s THR 48 N -3.92 -0.02 -0.42 -0.71 2.01 -0.24 -2.69 115.64 109.65 2ekx s THR 48 Ca 0.38 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.47 2ekx s THR 48 Cb 0.07 -0.34 0.11 0.00 0.01 0.00 0.00 72.50 72.36 2ekx s THR 48 CO 0.13 0.04 0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 2ekx s VAL 49 N 0.77 2.89 -0.07 3.82 1.01 0.56 -0.48 120.40 128.90 2ekx s VAL 49 Ca -0.05 -2.39 -0.04 0.00 0.00 0.00 0.00 61.98 59.49 2ekx s VAL 49 Cb -0.07 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2ekx s VAL 49 CO -0.05 -0.69 0.13 -0.44 0.00 0.00 0.00 175.10 174.05 2ekx s SER 50 N 1.15 6.15 0.06 3.32 0.01 -1.17 -2.25 113.70 120.96 2ekx s SER 50 Ca 0.11 0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.66 2ekx s SER 50 Cb -0.21 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 2ekx s SER 50 CO -0.05 0.35 0.14 -1.48 0.41 0.00 0.00 173.24 172.61 2ekx s LEU 51 N -1.34 1.63 -0.28 2.44 0.05 -0.63 -0.68 118.68 119.88 2ekx s LEU 51 Ca 0.19 -0.58 -0.08 0.00 0.05 0.00 0.00 54.13 53.71 2ekx s LEU 51 Cb -0.12 0.80 -0.01 0.00 -2.05 0.00 0.00 46.19 44.82 2ekx s LEU 51 CO 0.09 -0.61 0.09 0.12 -0.55 0.00 0.00 176.35 175.49 2ekx s PHE 52 N -3.18 3.13 0.08 3.48 5.36 0.65 -1.68 117.98 125.83 2ekx s PHE 52 Ca -0.00 -0.69 -0.08 0.00 -0.96 0.00 0.00 56.93 55.19 2ekx s PHE 52 Cb 0.02 -2.27 -0.00 0.00 -0.34 0.00 0.00 43.02 40.42 2ekx s PHE 52 CO -0.07 -0.48 0.18 -1.54 -1.46 0.00 0.00 175.22 171.85 2ekx s SER 53 N 1.57 0.13 -0.09 6.13 1.04 -1.21 -3.43 113.70 117.83 2ekx s SER 53 Ca 0.04 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.86 2ekx s SER 53 Cb -0.16 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2ekx s SER 53 CO 0.04 -0.71 -0.22 -1.59 0.98 0.00 0.00 173.24 171.73 2ekx s LYS 54 N -3.79 2.70 1.23 4.02 -2.85 -1.26 -1.23 119.74 118.56 2ekx s LYS 54 Ca 0.04 -0.80 -0.18 0.00 -1.00 0.00 0.00 55.97 54.03 2ekx s LYS 54 Cb 0.05 -2.11 0.26 0.00 -2.06 0.00 0.00 37.83 33.98 2ekx s LYS 54 CO -0.11 0.19 0.59 0.00 0.10 0.00 0.00 175.35 176.12 2ekx n ALA 55 N 3.45 -3.11 0.20 0.59 0.00 -1.26 -4.79 120.51 115.59 2ekx n ALA 55 Ca -0.19 -1.45 0.08 0.00 0.00 0.00 0.00 53.44 51.88 2ekx n ALA 55 Cb 0.53 -1.34 0.26 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.02 0.50 0.00 0.00 2.07 -2.02 -3.28 116.25 110.50 2ekx h VAL 56 Ca -0.38 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 65.63 2ekx h VAL 56 Cb 1.11 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2ekx h VAL 56 CO 0.25 0.25 -1.00 -3.20 0.02 0.00 0.00 177.57 173.90 2ekx n ASN 57 N -3.25 1.66 -0.30 0.57 2.85 -1.26 -4.67 115.26 110.87 2ekx n ASN 57 Ca 0.02 0.27 -0.03 0.00 -0.11 0.00 0.00 54.58 54.73 2ekx n ASN 57 Cb 0.55 -0.62 0.01 0.00 1.24 0.00 0.00 39.78 40.95 2ekx n ASN 57 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ekx n ASP 58 N -4.14 -0.57 -3.65 1.20 2.03 -1.26 -4.77 116.55 105.38 2ekx n ASP 58 Ca -0.16 1.34 -0.27 0.00 0.52 0.00 0.00 54.79 56.22 2ekx n ASP 58 Cb 0.46 -0.27 0.04 0.00 -0.72 0.00 0.00 41.12 40.62 2ekx n ASP 58 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ekx n LYS 59 N -5.08 -6.15 0.03 -0.67 5.02 -1.24 -4.86 118.16 105.20 2ekx n LYS 59 Ca 0.06 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2ekx n LYS 59 Cb 0.28 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.65 2ekx n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ekx n LYS 60 N -4.65 0.00 0.00 1.97 4.76 -1.26 -5.06 118.16 113.91 2ekx n LYS 60 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2ekx n LYS 60 Cb 0.55 -0.16 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 2ekx n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ekx n GLY 61 N 3.16 2.36 3.44 0.72 0.00 -1.26 -4.89 105.19 108.72 2ekx n GLY 61 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 3.04 -0.32 2.61 2.01 -0.36 -4.90 115.64 117.71 2ekx s THR 62 Ca 0.00 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 2ekx s THR 62 Cb 0.00 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2ekx s THR 62 CO 0.00 0.57 1.27 -0.69 -0.69 0.00 0.00 174.62 175.08 2ekx s VAL 63 N -0.38 4.18 -0.16 3.82 1.01 -1.26 -3.35 120.40 124.26 2ekx s VAL 63 Ca 0.04 1.32 -0.07 0.00 0.00 0.00 0.00 61.98 63.27 2ekx s VAL 63 Cb -0.12 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2ekx s VAL 63 CO 0.02 -0.53 0.07 -0.54 0.00 0.00 0.00 175.10 174.13 2ekx s LYS 64 N 4.17 3.75 -0.03 2.72 1.02 -0.68 -4.97 119.74 125.73 2ekx s LYS 64 Ca 0.55 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.26 2ekx s LYS 64 Cb -0.15 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 2ekx s LYS 64 CO 0.23 0.43 -0.11 -3.38 -0.92 0.00 0.00 175.35 171.60 2ekx s HIS 65 N -0.06 2.80 -0.05 3.18 -3.43 -1.26 -1.60 115.29 114.86 2ekx s HIS 65 Ca 0.07 -0.09 0.01 0.00 -0.80 0.00 0.00 55.06 54.25 2ekx s HIS 65 Cb -0.12 -1.63 0.02 0.00 -1.43 0.00 0.00 32.58 29.42 2ekx s HIS 65 CO 0.01 0.28 -0.05 0.71 -2.00 0.00 0.00 174.74 173.69 2ekx s TYR 66 N -0.84 0.86 -0.17 0.38 2.02 -0.96 -4.98 117.35 113.66 2ekx s TYR 66 Ca 0.14 -0.27 -0.18 0.00 -0.37 0.00 0.00 57.07 56.38 2ekx s TYR 66 Cb -0.11 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.67 2ekx s TYR 66 CO 0.03 -0.23 0.51 -1.01 -1.57 0.00 0.00 175.55 173.28 2ekx s HIS 67 N 1.01 3.42 -0.61 2.71 3.76 -1.26 -0.32 115.29 124.00 2ekx s HIS 67 Ca -0.09 0.82 -0.26 0.00 -0.15 0.00 0.00 55.06 55.37 2ekx s HIS 67 Cb -0.14 -2.63 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 2ekx s HIS 67 CO -0.00 -0.00 1.91 0.08 -0.85 0.00 0.00 174.74 175.87 2ekx s VAL 68 N 1.27 3.33 1.10 -0.90 1.01 -1.10 -4.88 120.40 120.22 2ekx s VAL 68 Ca 0.25 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 2ekx s VAL 68 Cb -0.15 -3.87 0.24 0.00 0.00 0.00 0.00 36.38 32.60 2ekx s VAL 68 CO 0.10 -0.84 1.16 -1.00 0.00 0.00 0.00 175.10 174.52 2ekx s HIS 69 N 9.37 1.11 0.02 5.22 3.76 -1.23 -4.63 115.29 128.91 2ekx s HIS 69 Ca 0.70 0.53 0.01 0.00 -0.15 0.00 0.00 55.06 56.15 2ekx s HIS 69 Cb -0.13 -3.59 -0.02 0.00 1.11 0.00 0.00 32.58 29.96 2ekx s HIS 69 CO 0.20 -3.34 -0.05 0.99 -0.85 0.00 0.00 174.74 171.69 2ekx s THR 70 N -3.24 0.28 0.49 1.30 2.01 -1.26 -3.59 115.64 111.63 2ekx s THR 70 Ca 0.70 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.96 2ekx s THR 70 Cb -0.10 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.06 2ekx s THR 70 CO 0.55 -0.35 0.47 0.21 -0.69 0.00 0.00 174.62 174.81 2ekx s ASN 71 N -1.23 4.92 0.39 3.53 2.47 -0.60 -4.89 114.94 119.53 2ekx s ASN 71 Ca -0.10 -0.94 0.13 0.00 0.42 0.00 0.00 52.86 52.36 2ekx s ASN 71 Cb -0.08 -0.05 0.94 0.00 -1.45 0.00 0.00 41.25 40.61 2ekx s ASN 71 CO -0.00 -0.95 1.89 0.00 -3.72 0.00 0.00 177.10 174.32 2ekx h ALA 72 N 0.76 1.99 -0.71 1.71 0.00 -2.02 -0.42 119.26 120.56 2ekx h ALA 72 Ca -0.38 0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.06 2ekx h ALA 72 Cb 1.28 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 2ekx h ALA 72 CO 0.54 -0.21 0.63 0.39 0.00 0.00 0.00 179.25 180.59 2ekx n GLU 73 N -4.52 2.21 -4.39 0.00 -0.58 -1.26 -4.85 120.64 107.25 2ekx n GLU 73 Ca 0.16 -2.35 -0.36 0.00 -0.42 0.00 0.00 57.16 54.20 2ekx n GLU 73 Cb 0.51 -1.92 -0.08 0.00 -0.57 0.00 0.00 31.44 29.38 2ekx n GLU 73 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2ekx n ASN 74 N -0.23 -0.40 -4.64 1.62 5.15 -0.17 -4.89 115.26 111.70 2ekx n ASN 74 Ca 0.45 -1.24 -0.37 0.00 -0.60 0.00 0.00 54.58 52.82 2ekx n ASN 74 Cb 0.62 -1.73 -0.10 0.00 -0.53 0.00 0.00 39.78 38.04 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2ekx s LYS 75 N -7.27 4.02 0.10 1.20 -0.14 -1.25 -4.82 119.74 111.58 2ekx s LYS 75 Ca 0.36 -0.29 -0.15 0.00 -1.36 0.00 0.00 55.97 54.53 2ekx s LYS 75 Cb -0.21 -3.54 -0.07 0.00 -1.68 0.00 0.00 37.83 32.34 2ekx s LYS 75 CO 1.00 0.01 0.51 -0.51 -0.76 0.00 0.00 175.35 175.61 2ekx s LEU 76 N 1.19 4.41 -0.28 3.17 1.43 -1.26 -1.56 118.68 125.78 2ekx s LEU 76 Ca 0.07 1.07 -0.18 0.00 -1.03 0.00 0.00 54.13 54.06 2ekx s LEU 76 Cb -0.14 -3.03 0.09 0.00 0.03 0.00 0.00 46.19 43.14 2ekx s LEU 76 CO 0.05 0.19 0.76 -0.72 0.23 0.00 0.00 176.35 176.87 2ekx s TYR 77 N -1.30 -0.90 -0.06 0.29 -0.85 -1.24 -2.49 117.35 110.80 2ekx s TYR 77 Ca 0.33 1.89 0.13 0.00 -0.52 0.00 0.00 57.07 58.90 2ekx s TYR 77 Cb -0.16 0.50 -0.15 0.00 0.38 0.00 0.00 41.96 42.53 2ekx s TYR 77 CO 0.18 -0.44 0.95 -0.07 -1.52 0.00 0.00 175.55 174.65 2ekx h LEU 78 N 6.26 0.00 -9.39 -3.49 3.38 -1.91 -3.26 115.31 106.90 2ekx h LEU 78 Ca -0.29 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.01 2ekx h LEU 78 Cb 1.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.82 2ekx h LEU 78 CO 0.14 0.77 -0.62 0.00 0.09 0.00 0.00 178.44 178.82 2ekx s ALA 79 N -2.79 3.35 0.57 1.53 0.00 -1.26 -4.95 121.76 118.20 2ekx s ALA 79 Ca -0.02 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 2ekx s ALA 79 Cb 0.09 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2ekx s ALA 79 CO 0.81 0.64 1.19 -1.21 0.00 0.00 0.00 175.76 177.19 2ekx s GLU 80 N -1.44 3.15 -1.17 0.00 8.01 -1.26 -3.37 118.70 122.63 2ekx s GLU 80 Ca 0.19 1.78 -0.06 0.00 0.01 0.00 0.00 54.97 56.89 2ekx s GLU 80 Cb -0.12 -2.00 0.01 0.00 -4.31 0.00 0.00 34.13 27.71 2ekx s GLU 80 CO 0.09 -1.05 1.01 0.09 0.01 0.00 0.00 175.26 175.41 2ekx n ASN 81 N -1.39 -5.00 -3.48 -0.19 4.13 -1.26 -5.00 115.26 103.07 2ekx n ASN 81 Ca 0.12 -0.49 -0.14 0.00 1.68 0.00 0.00 54.58 55.75 2ekx n ASN 81 Cb 0.50 -4.52 -0.05 0.00 -1.54 0.00 0.00 39.78 34.16 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 -3.29 1.07 -0.08 3.10 1.51 -1.22 -5.18 117.35 113.25 2ekx s TYR 82 Ca 0.40 -1.27 -0.30 0.00 -1.01 0.00 0.00 57.07 54.89 2ekx s TYR 82 Cb -0.18 -0.18 0.10 0.00 -0.11 0.00 0.00 41.96 41.59 2ekx s TYR 82 CO 0.64 -1.02 0.84 0.00 -1.11 0.00 0.00 175.55 174.90 2ekx n PHE 84 N 0.65 -0.68 -0.11 0.00 3.01 -1.04 -5.01 117.46 114.29 2ekx n PHE 84 Ca -0.14 -1.55 -0.15 0.00 1.01 0.00 0.00 57.45 56.62 2ekx n PHE 84 Cb 0.58 0.23 -0.14 0.00 -0.01 0.00 0.00 39.48 40.15 2ekx n PHE 84 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2ekx n ASP 85 N -2.08 1.22 -3.00 4.37 9.92 -1.26 -4.39 116.55 121.33 2ekx n ASP 85 Ca 0.03 -0.04 -0.11 0.00 -0.53 0.00 0.00 54.79 54.14 2ekx n ASP 85 Cb 0.35 0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2ekx s SER 86 N -6.16 0.36 0.01 -2.24 0.15 -1.26 -4.88 113.70 99.68 2ekx s SER 86 Ca -0.24 -1.29 -0.25 0.00 0.70 0.00 0.00 55.95 54.87 2ekx s SER 86 Cb 0.08 0.79 -0.15 0.00 -1.71 0.00 0.00 66.02 65.03 2ekx s SER 86 CO 0.70 -1.57 1.12 0.40 1.20 0.00 0.00 173.24 175.10 2ekx h ILE 87 N 2.03 0.27 0.00 6.45 2.04 -1.97 -2.99 117.51 123.34 2ekx h ILE 87 Ca -0.31 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2ekx h ILE 87 Cb 1.25 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2ekx h ILE 87 CO 0.40 0.04 0.00 -0.81 0.00 0.00 0.00 178.15 177.79 2ekx n PRO 88 N -5.28 0.40 0.03 2.37 -0.04 -1.26 -2.18 135.00 129.05 2ekx n PRO 88 Ca -0.11 0.05 0.02 0.00 -0.04 0.00 0.00 63.50 63.42 2ekx n PRO 88 Cb 0.32 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.09 0.63 0.08 0.54 3.00 -1.14 -3.86 118.16 116.31 2ekx n LYS 89 Ca 0.10 0.16 -0.18 0.00 -0.00 0.00 0.00 58.31 58.39 2ekx n LYS 89 Cb 0.07 -1.77 -0.14 0.00 0.00 0.00 0.00 35.03 33.19 2ekx n LYS 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2ekx h LEU 90 N 0.00 0.48 -0.94 3.14 6.46 -1.32 -3.34 115.31 119.79 2ekx h LEU 90 Ca -0.15 -0.62 -0.01 0.00 -0.12 0.00 0.00 57.88 56.97 2ekx h LEU 90 Cb 1.50 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 41.23 2ekx h LEU 90 CO 0.03 1.51 0.51 0.40 -0.62 0.00 0.00 178.44 180.28 2ekx h ILE 91 N 0.08 1.26 -0.76 4.05 1.08 -1.72 -2.76 117.51 118.74 2ekx h ILE 91 Ca -0.24 -0.61 0.17 0.00 -0.39 0.00 0.00 64.86 63.79 2ekx h ILE 91 Cb 2.04 0.01 -0.13 0.00 -3.07 0.00 0.00 36.82 35.67 2ekx h ILE 91 CO 0.18 0.28 -0.01 -0.74 -0.69 0.00 0.00 178.15 177.18 2ekx h HIS 92 N 1.26 -0.07 0.36 1.37 2.76 -1.68 0.99 115.15 120.14 2ekx h HIS 92 Ca 0.32 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.53 2ekx h HIS 92 Cb 0.00 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.12 2ekx h HIS 92 CO 0.01 -0.25 -0.17 1.88 -1.30 0.00 0.00 177.93 178.09 2ekx h TYR 93 N 0.09 -0.44 -0.48 5.26 -1.99 -1.67 -3.07 116.97 114.67 2ekx h TYR 93 Ca 0.42 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 61.23 2ekx h TYR 93 Cb 0.73 0.15 -0.10 0.00 2.00 0.00 0.00 36.73 39.51 2ekx h TYR 93 CO -0.44 -0.18 -0.18 0.45 -0.00 0.00 0.00 178.16 177.82 2ekx h HIS 94 N -0.65 -0.44 -0.88 4.88 3.86 -1.15 0.44 115.15 121.22 2ekx h HIS 94 Ca -0.05 0.05 0.23 0.00 -1.16 0.00 0.00 60.37 59.44 2ekx h HIS 94 Cb 0.47 0.27 -0.14 0.00 1.06 0.00 0.00 27.41 29.06 2ekx h HIS 94 CO -0.01 -0.27 0.28 1.96 0.86 0.00 0.00 177.93 180.75 2ekx h GLN 95 N -0.08 0.24 0.00 2.45 4.20 -0.81 -3.02 115.11 118.10 2ekx h GLN 95 Ca 0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2ekx h GLN 95 Cb 0.43 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2ekx h GLN 95 CO -0.53 0.16 -0.02 0.45 -0.67 0.00 0.00 178.83 178.22 2ekx h HIS 96 N 0.25 0.00 -3.34 2.96 3.86 -0.94 -3.47 115.15 114.47 2ekx h HIS 96 Ca 0.56 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 59.29 2ekx h HIS 96 Cb 1.12 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.23 2ekx h HIS 96 CO -0.23 0.00 -0.79 0.54 0.86 0.00 0.00 177.93 178.31 2ekx s ASN 97 N -3.96 1.60 1.04 2.45 2.20 0.14 -5.12 114.94 113.29 2ekx s ASN 97 Ca -0.00 -0.21 -0.16 0.00 -0.94 0.00 0.00 52.86 51.55 2ekx s ASN 97 Cb 0.00 -0.65 0.08 0.00 -2.00 0.00 0.00 41.25 38.68 2ekx s ASN 97 CO 0.01 -0.07 0.23 -1.54 -2.94 0.00 0.00 177.10 172.78 2ekx n SER 98 N 4.43 -2.20 -3.48 3.54 3.41 -1.24 -3.66 113.62 114.42 2ekx n SER 98 Ca -0.18 0.08 -0.20 0.00 -0.26 0.00 0.00 58.87 58.31 2ekx n SER 98 Cb 0.51 -1.08 -0.13 0.00 -0.26 0.00 0.00 64.21 63.25 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 -2.32 -0.13 0.00 7.33 0.00 -1.26 -4.90 121.76 120.48 2ekx s ALA 99 Ca 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2ekx s ALA 99 Cb -0.17 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2ekx s ALA 99 CO 0.67 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2ekx n GLY 100 N 5.30 -1.60 0.31 0.00 0.00 -1.26 -4.04 105.19 103.91 2ekx n GLY 100 Ca -0.05 -1.38 0.01 0.00 0.00 0.00 0.00 46.02 44.60 2ekx n GLY 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ekx h MET 101 N 0.00 0.71 -5.28 1.61 2.86 -1.99 -3.44 114.93 109.39 2ekx h MET 101 Ca 0.00 -0.08 -0.75 0.00 -2.06 0.00 0.00 59.70 56.81 2ekx h MET 101 Cb 0.00 -0.14 0.02 0.00 0.06 0.00 0.00 31.60 31.54 2ekx h MET 101 CO 0.00 0.54 0.46 -0.89 1.06 0.00 0.00 176.91 178.08 2ekx n ILE 102 N -4.39 0.00 -0.96 -1.22 2.08 -1.26 -4.82 119.36 108.79 2ekx n ILE 102 Ca 0.04 0.00 -0.34 0.00 0.56 0.00 0.00 62.75 63.01 2ekx n ILE 102 Cb 0.12 -0.32 0.11 0.00 -0.75 0.00 0.00 39.64 38.79 2ekx n ILE 102 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2ekx n THR 103 N 2.93 0.70 -2.60 1.39 -1.04 -1.26 -4.47 114.28 109.94 2ekx n THR 103 Ca 0.25 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 2ekx n THR 103 Cb -0.02 -0.70 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 2ekx n THR 103 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2ekx s ARG 104 N -3.41 3.41 -0.53 -2.82 3.52 -1.26 -4.87 118.95 113.00 2ekx s ARG 104 Ca 0.61 0.07 -0.27 0.00 -0.13 0.00 0.00 55.73 56.01 2ekx s ARG 104 Cb -0.26 -4.06 -0.09 0.00 -1.56 0.00 0.00 34.95 28.98 2ekx s ARG 104 CO 0.63 -1.78 2.44 1.28 -0.81 0.00 0.00 175.30 177.06 2ekx n LEU 105 N 8.58 2.13 0.06 -0.88 4.77 -1.26 -4.84 117.00 125.57 2ekx n LEU 105 Ca 0.06 -0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 55.63 2ekx n LEU 105 Cb 0.49 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.06 2ekx n LEU 105 CO 0.71 -1.43 0.21 -0.09 -1.33 0.00 0.00 177.39 175.46 2ekx h ARG 106 N 18.47 -0.16 -4.85 3.23 2.43 -1.12 -3.41 114.38 128.97 2ekx h ARG 106 Ca -0.23 0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 58.60 2ekx h ARG 106 Cb 1.27 0.04 -0.23 0.00 -0.42 0.00 0.00 29.97 30.63 2ekx h ARG 106 CO 1.17 -0.11 -0.76 -1.01 -1.51 0.00 0.00 179.97 177.75 2ekx s HIS 107 N -2.30 0.88 0.79 2.20 3.76 -1.00 -5.01 115.29 114.60 2ekx s HIS 107 Ca -0.02 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.39 2ekx s HIS 107 Cb 0.00 -0.52 0.07 0.00 1.11 0.00 0.00 32.58 33.24 2ekx s HIS 107 CO 0.07 -0.02 1.09 -1.25 -0.85 0.00 0.00 174.74 173.79 2ekx s PRO 108 N -1.25 2.12 -0.10 8.40 0.04 -1.26 -1.12 135.00 141.83 2ekx s PRO 108 Ca -0.04 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.08 2ekx s PRO 108 Cb -0.08 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.62 2ekx s PRO 108 CO 0.01 -1.73 0.24 0.08 0.04 0.00 0.00 177.00 175.63 2ekx s VAL 109 N -2.90 -0.03 -1.34 -0.36 1.01 0.32 -4.66 120.40 112.43 2ekx s VAL 109 Ca 0.61 0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.82 2ekx s VAL 109 Cb -0.17 -0.36 0.08 0.00 0.00 0.00 0.00 36.38 35.93 2ekx s VAL 109 CO 0.56 0.05 0.84 -1.20 0.00 0.00 0.00 175.10 175.35