#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 5.35 -0.02 1.61 0.01 -1.26 -5.07 113.70 114.31 2ekx s SER 2 Ca 0.00 -1.79 -0.30 0.00 1.31 0.00 0.00 55.95 55.17 2ekx s SER 2 Cb 0.00 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2ekx s SER 2 CO 0.00 -0.52 1.15 -0.44 0.41 0.00 0.00 173.24 173.84 2ekx s SER 3 N 1.91 7.12 -1.02 2.44 0.01 -1.26 -4.91 113.70 118.00 2ekx s SER 3 Ca 0.05 1.81 -0.26 0.00 1.31 0.00 0.00 55.95 58.86 2ekx s SER 3 Cb -0.23 -2.56 -0.18 0.00 0.21 0.00 0.00 66.02 63.26 2ekx s SER 3 CO -0.02 -0.50 2.15 -0.83 0.41 0.00 0.00 173.24 174.46 2ekx s GLY 4 N 1.27 -0.82 -0.57 3.44 0.00 -1.26 -4.86 107.32 104.51 2ekx s GLY 4 Ca 0.55 -1.41 -0.27 0.00 0.00 0.00 0.00 44.72 43.60 2ekx s GLY 4 CO 0.24 4.14 1.85 -0.56 0.00 0.00 0.00 173.10 178.77 2ekx s SER 5 N 8.79 5.35 -0.18 1.64 0.01 -1.26 -4.94 113.70 123.11 2ekx s SER 5 Ca 0.82 0.47 -0.00 0.00 1.31 0.00 0.00 55.95 58.55 2ekx s SER 5 Cb -0.06 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.68 2ekx s SER 5 CO 0.14 -2.29 -0.06 -0.55 0.41 0.00 0.00 173.24 170.89 2ekx s SER 6 N 7.85 3.08 -0.12 2.44 0.15 -1.26 -5.12 113.70 120.72 2ekx s SER 6 Ca 0.69 -0.78 -0.03 0.00 0.70 0.00 0.00 55.95 56.53 2ekx s SER 6 Cb -0.14 -1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 63.14 2ekx s SER 6 CO 0.22 -0.19 -0.01 -0.83 1.20 0.00 0.00 173.24 173.63 2ekx s GLY 7 N 1.57 1.79 -0.08 9.45 0.00 -1.26 -4.99 107.32 113.79 2ekx s GLY 7 Ca -0.01 -0.81 0.19 0.00 0.00 0.00 0.00 44.72 44.09 2ekx s GLY 7 CO -0.08 -0.35 0.38 -0.10 0.00 0.00 0.00 173.10 172.95 2ekx n LEU 8 N 2.76 0.19 0.10 0.66 7.94 -1.26 -4.13 117.00 123.25 2ekx n LEU 8 Ca -0.18 0.08 0.09 0.00 -1.11 0.00 0.00 56.01 54.89 2ekx n LEU 8 Cb 0.53 0.23 0.42 0.00 0.53 0.00 0.00 43.42 45.13 2ekx n LEU 8 CO 0.30 0.24 0.77 -0.90 -1.11 0.00 0.00 177.39 176.70 2ekx n ASP 9 N -2.60 0.43 -0.24 1.96 5.75 -1.26 -2.42 116.55 118.16 2ekx n ASP 9 Ca -0.18 0.64 0.03 0.00 -0.01 0.00 0.00 54.79 55.28 2ekx n ASP 9 Cb 0.88 -0.72 0.26 0.00 -1.03 0.00 0.00 41.12 40.51 2ekx n ASP 9 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2ekx h ASP 10 N 0.00 0.84 -3.64 -1.12 3.58 -1.97 -3.43 116.42 110.68 2ekx h ASP 10 Ca 0.00 -0.01 -0.44 0.00 0.42 0.00 0.00 57.03 57.00 2ekx h ASP 10 Cb 0.17 -0.19 0.18 0.00 1.72 0.00 0.00 39.33 41.21 2ekx h ASP 10 CO 0.00 0.57 0.13 -0.31 -2.88 0.00 0.00 179.24 176.75 2ekx s TYR 11 N -5.84 1.58 -0.21 0.28 2.02 -1.02 -5.03 117.35 109.15 2ekx s TYR 11 Ca -0.11 0.91 -0.14 0.00 -0.37 0.00 0.00 57.07 57.36 2ekx s TYR 11 Cb 0.19 -3.25 -0.08 0.00 -0.40 0.00 0.00 41.96 38.41 2ekx s TYR 11 CO 0.79 -3.38 -0.31 -0.25 -1.57 0.00 0.00 175.55 170.82 2ekx n ASP 12 N -4.51 1.77 -0.38 2.29 8.00 -1.26 -4.50 116.55 117.95 2ekx n ASP 12 Ca 0.06 0.30 0.30 0.00 0.71 0.00 0.00 54.79 56.16 2ekx n ASP 12 Cb 0.57 -0.71 0.57 0.00 -0.02 0.00 0.00 41.12 41.54 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 -0.88 0.67 -0.92 1.24 5.08 -1.88 -3.35 115.95 115.91 2ekx h TRP 13 Ca -0.38 0.03 -0.24 0.00 1.08 0.00 0.00 58.89 59.38 2ekx h TRP 13 Cb 1.28 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 27.25 2ekx h TRP 13 CO -0.20 -0.16 0.72 0.12 -1.28 0.00 0.00 178.44 177.64 2ekx s PHE 14 N -5.44 1.35 0.03 0.12 5.36 -1.26 -1.85 117.98 116.29 2ekx s PHE 14 Ca -0.09 1.42 -0.26 0.00 -0.96 0.00 0.00 56.93 57.04 2ekx s PHE 14 Cb 0.29 -3.70 -0.17 0.00 -0.34 0.00 0.00 43.02 39.10 2ekx s PHE 14 CO 0.81 -1.91 1.40 0.00 -1.46 0.00 0.00 175.22 174.06 2ekx h ALA 15 N 14.14 -0.40 0.00 11.12 0.00 0.02 -3.47 119.26 140.66 2ekx h ALA 15 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2ekx h ALA 15 Cb 1.08 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ekx h ALA 15 CO 1.12 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2ekx n GLY 16 N -0.64 0.17 3.55 0.00 0.00 -0.96 -4.94 105.19 102.37 2ekx n GLY 16 Ca -0.10 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 6.20 0.13 1.61 2.20 -1.26 -2.26 114.94 117.56 2ekx s ASN 17 Ca 0.00 -0.42 0.02 0.00 -0.94 0.00 0.00 52.86 51.52 2ekx s ASN 17 Cb 0.00 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.66 2ekx s ASN 17 CO 0.00 -1.77 -0.04 0.27 -2.94 0.00 0.00 177.10 172.62 2ekx s ILE 18 N 5.52 0.72 0.43 0.54 -4.36 -1.26 -5.06 121.20 117.74 2ekx s ILE 18 Ca 0.35 -1.97 0.07 0.00 -0.26 0.00 0.00 60.65 58.85 2ekx s ILE 18 Cb -0.09 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 2ekx s ILE 18 CO 0.16 -0.70 0.38 -0.55 0.24 0.00 0.00 174.94 174.47 2ekx s SER 19 N -3.11 4.96 0.45 4.36 0.15 -1.26 -4.89 113.70 114.36 2ekx s SER 19 Ca 0.17 -0.83 0.20 0.00 0.70 0.00 0.00 55.95 56.19 2ekx s SER 19 Cb 0.05 -0.43 1.17 0.00 -1.71 0.00 0.00 66.02 65.10 2ekx s SER 19 CO -0.01 -0.72 1.90 0.08 1.20 0.00 0.00 173.24 175.70 2ekx h ARG 20 N 1.00 0.29 0.19 5.44 0.11 -2.02 -0.11 114.38 119.27 2ekx h ARG 20 Ca -0.41 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.65 2ekx h ARG 20 Cb 1.27 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2ekx h ARG 20 CO 0.58 0.19 -0.09 1.03 0.10 0.00 0.00 179.97 181.78 2ekx h SER 21 N 0.30 -0.21 -0.29 0.08 0.87 -2.00 -3.18 113.55 109.12 2ekx h SER 21 Ca 0.40 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 61.02 2ekx h SER 21 Cb 1.11 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 63.04 2ekx h SER 21 CO -0.11 0.04 -0.48 1.56 -0.53 0.00 0.00 176.83 177.31 2ekx h GLN 22 N -0.63 -0.42 -0.99 2.24 4.20 -1.89 0.24 115.11 117.86 2ekx h GLN 22 Ca -0.03 0.03 0.37 0.00 0.06 0.00 0.00 58.65 59.08 2ekx h GLN 22 Cb 0.19 0.09 -0.17 0.00 0.30 0.00 0.00 27.48 27.90 2ekx h GLN 22 CO 0.04 -0.28 0.47 0.66 -0.67 0.00 0.00 178.83 179.05 2ekx h SER 23 N -0.43 0.25 0.08 1.46 4.64 -1.18 0.23 113.55 118.60 2ekx h SER 23 Ca 0.09 0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2ekx h SER 23 Cb 0.62 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2ekx h SER 23 CO -0.52 -0.34 -0.04 -0.33 -0.87 0.00 0.00 176.83 174.74 2ekx h GLU 24 N 0.10 -0.10 -0.36 4.77 5.08 -0.89 -2.67 114.58 120.51 2ekx h GLU 24 Ca 0.77 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 59.21 2ekx h GLU 24 Cb 1.91 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 31.10 2ekx h GLU 24 CO -0.74 0.42 -0.38 0.37 -1.00 0.00 0.00 179.01 177.67 2ekx h GLN 25 N -0.92 -0.31 0.56 2.33 -0.00 0.14 -1.70 115.11 115.20 2ekx h GLN 25 Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2ekx h GLN 25 Cb 0.56 0.07 -0.00 0.00 0.00 0.00 0.00 27.48 28.11 2ekx h GLN 25 CO 0.02 -0.21 -0.37 -0.07 0.00 0.00 0.00 178.83 178.20 2ekx h LEU 26 N -0.32 -0.94 -0.78 -2.39 3.38 -0.79 0.19 115.31 113.65 2ekx h LEU 26 Ca 0.14 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.41 2ekx h LEU 26 Cb 0.57 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.46 2ekx h LEU 26 CO -0.53 -0.55 0.11 0.18 0.09 0.00 0.00 178.44 177.74 2ekx n LEU 27 N -4.68 -0.01 0.06 1.67 4.77 -1.01 -0.28 117.00 117.53 2ekx n LEU 27 Ca -0.11 1.32 -0.08 0.00 -0.03 0.00 0.00 56.01 57.11 2ekx n LEU 27 Cb 0.37 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2ekx n LEU 27 CO 0.25 -1.37 0.27 0.03 -1.33 0.00 0.00 177.39 175.23 2ekx h ARG 28 N 0.00 -0.25 -0.88 3.23 3.08 -0.98 -3.31 114.38 115.27 2ekx h ARG 28 Ca 0.52 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.80 2ekx h ARG 28 Cb 1.16 0.06 -0.17 0.00 0.08 0.00 0.00 29.97 31.10 2ekx h ARG 28 CO -0.71 0.07 -0.09 0.94 -1.07 0.00 0.00 179.97 179.11 2ekx n GLN 29 N -4.94 -0.07 -0.25 0.04 0.00 0.63 -0.63 117.38 112.16 2ekx n GLN 29 Ca -0.06 1.35 -0.08 0.00 -0.00 0.00 0.00 57.00 58.20 2ekx n GLN 29 Cb 0.22 -2.08 -0.07 0.00 0.00 0.00 0.00 30.24 28.30 2ekx n GLN 29 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2ekx h LYS 30 N 0.00 -0.06 0.00 3.69 1.63 -1.25 -3.46 116.57 117.12 2ekx h LYS 30 Ca 0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 2ekx h LYS 30 Cb 0.89 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2ekx h LYS 30 CO -0.87 -0.04 0.00 0.41 -3.45 0.00 0.00 179.45 175.51 2ekx n GLY 31 N -1.19 0.92 3.19 5.01 0.00 0.20 -5.06 105.19 108.25 2ekx n GLY 31 Ca 0.01 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.52 2.48 0.70 1.61 -0.14 -1.26 -5.09 119.74 116.51 2ekx s LYS 32 Ca 0.00 -1.24 -0.17 0.00 -1.36 0.00 0.00 55.97 53.20 2ekx s LYS 32 Cb 0.00 -3.22 -0.09 0.00 -1.68 0.00 0.00 37.83 32.83 2ekx s LYS 32 CO 0.00 -0.62 0.09 0.39 -0.76 0.00 0.00 175.35 174.45 2ekx n GLU 33 N 4.66 0.15 -2.58 1.68 -0.58 -1.26 -1.55 120.64 121.17 2ekx n GLU 33 Ca -0.13 0.07 -0.15 0.00 -0.42 0.00 0.00 57.16 56.54 2ekx n GLU 33 Cb 0.44 -1.42 -0.00 0.00 -0.57 0.00 0.00 31.44 29.89 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ekx n GLY 34 N 2.25 -0.50 3.77 0.62 0.00 -1.25 -4.11 105.19 105.97 2ekx n GLY 34 Ca 0.07 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.70 3.42 0.07 4.61 0.00 -0.59 -0.62 121.76 125.94 2ekx s ALA 35 Ca 0.06 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.27 2ekx s ALA 35 Cb -0.03 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2ekx s ALA 35 CO 0.08 -0.67 -0.07 -0.59 0.00 0.00 0.00 175.76 174.51 2ekx s PHE 36 N -1.18 0.73 0.32 0.00 -0.71 -0.01 0.40 117.98 117.53 2ekx s PHE 36 Ca 0.51 -0.74 -0.07 0.00 -1.04 0.00 0.00 56.93 55.60 2ekx s PHE 36 Cb -0.39 -0.44 0.03 0.00 -1.21 0.00 0.00 43.02 41.01 2ekx s PHE 36 CO 0.51 -0.15 0.55 0.00 -1.34 0.00 0.00 175.22 174.79 2ekx n MET 37 N 0.68 0.78 -3.71 1.99 0.00 -0.95 0.08 117.12 116.00 2ekx n MET 37 Ca -0.17 -2.21 -0.14 0.00 0.00 0.00 0.00 57.70 55.18 2ekx n MET 37 Cb 0.58 2.38 -0.08 0.00 0.00 0.00 0.00 33.22 36.10 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 -2.52 0.04 0.05 3.17 1.01 -0.77 -2.98 120.40 118.40 2ekx s VAL 38 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 2ekx s VAL 38 Cb -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2ekx s VAL 38 CO 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 175.10 175.01 2ekx s ARG 39 N -1.29 0.54 0.27 2.72 1.70 -0.52 0.59 118.95 122.97 2ekx s ARG 39 Ca -0.13 -1.03 -0.18 0.00 -0.47 0.00 0.00 55.73 53.92 2ekx s ARG 39 Cb -0.04 0.11 -0.09 0.00 -0.57 0.00 0.00 34.95 34.36 2ekx s ARG 39 CO 0.05 -0.07 0.75 1.21 -1.08 0.00 0.00 175.30 176.16 2ekx s ASN 40 N -2.43 6.96 0.11 -2.89 3.04 -0.96 -2.29 114.94 116.48 2ekx s ASN 40 Ca -0.00 1.40 0.01 0.00 0.04 0.00 0.00 52.86 54.30 2ekx s ASN 40 Cb 0.01 -2.41 -0.04 0.00 -1.54 0.00 0.00 41.25 37.27 2ekx s ASN 40 CO -0.06 -0.07 0.26 -0.55 -3.04 0.00 0.00 177.10 173.63 2ekx s SER 41 N -1.90 6.36 0.34 -4.21 0.15 -1.20 -4.81 113.70 108.44 2ekx s SER 41 Ca 0.48 0.25 0.07 0.00 0.70 0.00 0.00 55.95 57.45 2ekx s SER 41 Cb -0.14 -1.95 0.75 0.00 -1.71 0.00 0.00 66.02 62.97 2ekx s SER 41 CO 0.19 0.10 1.86 -1.28 1.20 0.00 0.00 173.24 175.32 2ekx h SER 42 N 2.61 0.72 -2.80 5.45 0.87 -1.98 -3.37 113.55 115.05 2ekx h SER 42 Ca -0.47 0.04 -0.54 0.00 -1.23 0.00 0.00 61.79 59.59 2ekx h SER 42 Cb 1.18 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.97 2ekx h SER 42 CO 0.72 0.37 1.07 -1.10 -0.53 0.00 0.00 176.83 177.37 2ekx s GLN 43 N -5.74 3.31 -0.82 2.24 -0.21 -1.26 -4.90 119.66 112.27 2ekx s GLN 43 Ca -0.10 0.29 -0.34 0.00 0.02 0.00 0.00 55.36 55.23 2ekx s GLN 43 Cb 0.22 -4.12 -0.20 0.00 1.00 0.00 0.00 33.01 29.92 2ekx s GLN 43 CO 0.79 -1.94 2.53 1.55 -2.12 0.00 0.00 175.29 176.10 2ekx n VAL 44 N 6.74 0.00 0.00 1.09 3.14 -1.26 -1.21 118.33 126.83 2ekx n VAL 44 Ca 0.10 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 2ekx n VAL 44 Cb 0.49 -0.72 0.00 0.00 -1.06 0.00 0.00 33.84 32.55 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 6.70 3.19 3.66 7.55 0.00 -1.26 -5.11 105.19 119.92 2ekx n GLY 45 Ca 0.60 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 0.21 -3.85 1.61 2.00 -0.35 -4.97 117.12 111.76 2ekx n MET 46 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 57.70 57.73 2ekx n MET 46 Cb 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 33.22 30.76 2ekx n MET 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 2ekx s TYR 47 N -2.09 0.02 -0.16 2.03 2.02 -1.26 -3.22 117.35 114.69 2ekx s TYR 47 Ca 0.72 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 57.31 2ekx s TYR 47 Cb -0.30 -0.03 0.02 0.00 -0.40 0.00 0.00 41.96 41.26 2ekx s TYR 47 CO 0.52 -0.34 -0.17 0.99 -1.57 0.00 0.00 175.55 174.98 2ekx s THR 48 N -1.69 1.79 -0.59 -0.71 2.01 -0.97 -0.96 115.64 114.52 2ekx s THR 48 Ca -0.12 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 2ekx s THR 48 Cb -0.06 -1.64 0.15 0.00 0.01 0.00 0.00 72.50 70.96 2ekx s THR 48 CO 0.01 0.50 0.48 -0.69 -0.69 0.00 0.00 174.62 174.22 2ekx s VAL 49 N 1.34 4.60 -0.31 3.82 1.01 -0.03 -1.43 120.40 129.39 2ekx s VAL 49 Ca 0.04 -2.11 -0.12 0.00 0.00 0.00 0.00 61.98 59.79 2ekx s VAL 49 Cb -0.13 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2ekx s VAL 49 CO -0.11 -0.87 0.21 -0.44 0.00 0.00 0.00 175.10 173.90 2ekx s SER 50 N 2.35 6.01 0.01 3.32 0.01 -1.16 -2.15 113.70 122.10 2ekx s SER 50 Ca 0.10 -0.24 0.09 0.00 1.31 0.00 0.00 55.95 57.21 2ekx s SER 50 Cb -0.22 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 2ekx s SER 50 CO -0.03 -0.15 -0.26 -1.48 0.41 0.00 0.00 173.24 171.74 2ekx s LEU 51 N 1.73 2.10 -0.30 2.44 0.05 -0.86 -2.24 118.68 121.61 2ekx s LEU 51 Ca 0.06 -0.52 -0.21 0.00 0.05 0.00 0.00 54.13 53.52 2ekx s LEU 51 Cb -0.17 -1.30 -0.01 0.00 -2.05 0.00 0.00 46.19 42.66 2ekx s LEU 51 CO 0.10 0.29 0.65 0.12 -0.55 0.00 0.00 176.35 176.97 2ekx s PHE 52 N -0.69 3.22 0.41 3.48 2.19 0.16 -1.65 117.98 125.09 2ekx s PHE 52 Ca 0.11 0.66 0.08 0.00 0.33 0.00 0.00 56.93 58.10 2ekx s PHE 52 Cb -0.10 -3.00 -0.04 0.00 -1.31 0.00 0.00 43.02 38.57 2ekx s PHE 52 CO 0.00 -0.47 0.24 0.45 1.83 0.00 0.00 175.22 177.28 2ekx s SER 53 N 1.61 4.66 0.02 6.13 0.15 0.21 -2.81 113.70 123.66 2ekx s SER 53 Ca 0.26 -0.94 0.05 0.00 0.70 0.00 0.00 55.95 56.03 2ekx s SER 53 Cb -0.15 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.60 2ekx s SER 53 CO 0.11 -0.55 -0.16 -0.75 1.20 0.00 0.00 173.24 173.09 2ekx s LYS 54 N -3.97 1.18 0.18 5.44 2.47 -1.26 -0.36 119.74 123.41 2ekx s LYS 54 Ca 0.43 -0.73 -0.01 0.00 -1.56 0.00 0.00 55.97 54.10 2ekx s LYS 54 Cb 0.01 -1.20 -0.04 0.00 -1.46 0.00 0.00 37.83 35.14 2ekx s LYS 54 CO 0.24 0.31 0.10 0.00 0.16 0.00 0.00 175.35 176.17 2ekx s ALA 55 N -0.66 1.08 -0.05 3.13 0.00 -1.26 -4.98 121.76 119.03 2ekx s ALA 55 Ca 0.05 -1.63 -0.08 0.00 0.00 0.00 0.00 51.96 50.30 2ekx s ALA 55 Cb -0.07 1.21 -0.04 0.00 0.00 0.00 0.00 23.12 24.22 2ekx s ALA 55 CO 0.01 -0.55 0.38 0.28 0.00 0.00 0.00 175.76 175.88 2ekx h VAL 56 N 2.70 0.00 -0.97 0.00 2.07 -2.00 -3.32 116.25 114.72 2ekx h VAL 56 Ca -0.36 -0.58 0.15 0.00 0.82 0.00 0.00 66.70 66.74 2ekx h VAL 56 Cb 1.23 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 2ekx h VAL 56 CO 0.55 0.00 0.61 -1.13 0.02 0.00 0.00 177.57 177.62 2ekx h ASN 57 N -0.86 0.79 -3.46 0.57 -1.24 -2.02 -3.41 115.58 105.96 2ekx h ASN 57 Ca -0.03 0.06 -0.53 0.00 0.71 0.00 0.00 56.30 56.51 2ekx h ASN 57 Cb 0.22 -0.09 0.07 0.00 0.73 0.00 0.00 38.32 39.25 2ekx h ASN 57 CO 0.05 0.37 0.80 -1.81 -1.29 0.00 0.00 177.43 175.55 2ekx s ASP 58 N -5.62 6.52 -0.04 1.15 1.11 -1.25 -4.96 116.67 113.57 2ekx s ASP 58 Ca -0.11 2.82 -0.01 0.00 0.18 0.00 0.00 52.55 55.42 2ekx s ASP 58 Cb 0.23 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.58 2ekx s ASP 58 CO 0.80 -0.79 0.11 0.11 1.18 0.00 0.00 175.17 176.58 2ekx h LYS 59 N 4.62 -0.05 -2.70 8.23 1.79 -1.86 -3.40 116.57 123.19 2ekx h LYS 59 Ca -0.47 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.25 2ekx h LYS 59 Cb 1.22 0.01 -0.32 0.00 -1.58 0.00 0.00 32.23 31.57 2ekx h LYS 59 CO 0.76 -0.03 0.42 1.63 -1.08 0.00 0.00 179.45 181.15 2ekx n LYS 60 N -3.33 3.99 0.00 3.15 5.02 -1.26 -5.04 118.16 120.69 2ekx n LYS 60 Ca -0.01 -4.60 0.00 0.00 -2.02 0.00 0.00 58.31 51.69 2ekx n LYS 60 Cb 0.02 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 32.59 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 1.14 0.86 3.57 0.72 0.00 -1.26 -4.92 105.19 105.30 2ekx n GLY 61 Ca 0.27 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2ekx n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ekx s THR 62 N 0.00 0.00 -0.22 2.61 -1.32 0.51 -4.81 115.64 112.42 2ekx s THR 62 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 2ekx s THR 62 Cb 0.00 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.03 2ekx s THR 62 CO 0.00 0.00 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.56 2ekx s VAL 63 N -1.60 2.12 -0.25 5.08 1.01 -1.26 0.65 120.40 126.15 2ekx s VAL 63 Ca 0.02 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 2ekx s VAL 63 Cb -0.01 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2ekx s VAL 63 CO -0.02 0.28 0.17 -0.54 0.00 0.00 0.00 175.10 174.99 2ekx s LYS 64 N 1.21 4.03 -0.18 2.72 1.02 -0.66 -4.97 119.74 122.90 2ekx s LYS 64 Ca -0.01 -0.28 -0.10 0.00 0.02 0.00 0.00 55.97 55.60 2ekx s LYS 64 Cb -0.16 -3.58 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 2ekx s LYS 64 CO -0.09 -0.03 0.14 -3.38 -0.92 0.00 0.00 175.35 171.07 2ekx s HIS 65 N 1.32 3.45 0.04 3.18 -3.43 -1.26 -2.03 115.29 116.56 2ekx s HIS 65 Ca 0.07 0.38 0.08 0.00 -0.80 0.00 0.00 55.06 54.79 2ekx s HIS 65 Cb -0.14 -2.13 -0.03 0.00 -1.43 0.00 0.00 32.58 28.85 2ekx s HIS 65 CO 0.07 0.37 -0.22 0.71 -2.00 0.00 0.00 174.74 173.67 2ekx s TYR 66 N 0.09 1.96 -0.17 0.38 2.02 -0.91 -4.99 117.35 115.74 2ekx s TYR 66 Ca 0.10 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.39 2ekx s TYR 66 Cb -0.11 -1.18 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 2ekx s TYR 66 CO -0.01 0.09 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.42 2ekx s HIS 67 N -0.78 2.95 -0.52 2.71 2.46 -1.26 -0.86 115.29 120.00 2ekx s HIS 67 Ca 0.09 -0.57 -0.28 0.00 0.47 0.00 0.00 55.06 54.77 2ekx s HIS 67 Cb -0.09 -1.97 0.00 0.00 -0.13 0.00 0.00 32.58 30.39 2ekx s HIS 67 CO 0.02 -0.23 1.53 0.08 -2.47 0.00 0.00 174.74 173.66 2ekx s VAL 68 N 0.70 3.70 0.40 0.89 1.01 -0.14 -4.83 120.40 122.14 2ekx s VAL 68 Ca -0.03 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 2ekx s VAL 68 Cb -0.15 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.93 2ekx s VAL 68 CO 0.02 -0.98 0.79 -1.00 0.00 0.00 0.00 175.10 173.93 2ekx s HIS 69 N 6.52 3.45 0.00 5.22 3.76 -0.89 -4.41 115.29 128.94 2ekx s HIS 69 Ca 0.59 1.14 0.04 0.00 -0.15 0.00 0.00 55.06 56.67 2ekx s HIS 69 Cb -0.13 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.02 2ekx s HIS 69 CO 0.26 -0.11 -0.08 0.99 -0.85 0.00 0.00 174.74 174.95 2ekx s THR 70 N -2.33 3.52 0.40 1.30 2.01 -1.26 -1.97 115.64 117.30 2ekx s THR 70 Ca 0.53 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 2ekx s THR 70 Cb -0.10 -2.51 0.08 0.00 0.01 0.00 0.00 72.50 69.98 2ekx s THR 70 CO 0.29 0.41 0.55 -3.20 -0.69 0.00 0.00 174.62 171.97 2ekx n ASN 71 N 1.64 0.64 -0.05 3.53 2.85 0.16 -4.85 115.26 119.18 2ekx n ASN 71 Ca -0.16 -1.57 -0.01 0.00 -0.11 0.00 0.00 54.58 52.74 2ekx n ASN 71 Cb 0.52 -0.36 0.26 0.00 1.24 0.00 0.00 39.78 41.44 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 -0.68 1.31 -0.64 5.20 0.00 -2.01 -2.31 119.26 120.14 2ekx h ALA 72 Ca -0.18 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.18 2ekx h ALA 72 Cb 0.64 -0.17 -0.20 0.00 0.00 0.00 0.00 17.79 18.06 2ekx h ALA 72 CO 0.18 0.48 0.45 0.39 0.00 0.00 0.00 179.25 180.75 2ekx n GLU 73 N -4.28 1.85 -2.93 0.00 -0.58 -1.26 -4.83 120.64 108.61 2ekx n GLU 73 Ca 0.02 -1.96 -0.21 0.00 -0.42 0.00 0.00 57.16 54.60 2ekx n GLU 73 Cb 0.24 -1.77 0.01 0.00 -0.57 0.00 0.00 31.44 29.35 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 -0.46 -5.10 -4.65 1.62 2.85 -0.87 -4.93 115.26 103.71 2ekx n ASN 74 Ca 0.39 -0.20 -0.40 0.00 -0.11 0.00 0.00 54.58 54.26 2ekx n ASN 74 Cb 1.14 -4.19 -0.06 0.00 1.24 0.00 0.00 39.78 37.90 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 -5.58 4.19 0.16 1.20 1.02 -1.25 -4.75 119.74 114.71 2ekx s LYS 75 Ca 0.24 0.53 -0.15 0.00 0.02 0.00 0.00 55.97 56.61 2ekx s LYS 75 Cb -0.11 -3.58 -0.07 0.00 -0.52 0.00 0.00 37.83 33.54 2ekx s LYS 75 CO 0.29 -0.23 0.56 -0.51 -0.92 0.00 0.00 175.35 174.55 2ekx s LEU 76 N 1.90 4.33 0.05 3.17 1.43 -1.25 0.39 118.68 128.69 2ekx s LEU 76 Ca 0.27 1.10 -0.27 0.00 -1.03 0.00 0.00 54.13 54.19 2ekx s LEU 76 Cb -0.16 -3.31 0.09 0.00 0.03 0.00 0.00 46.19 42.84 2ekx s LEU 76 CO 0.10 0.09 0.86 -0.72 0.23 0.00 0.00 176.35 176.91 2ekx s TYR 77 N -1.48 -0.33 -0.11 0.29 1.13 -0.83 -2.38 117.35 113.63 2ekx s TYR 77 Ca 0.39 0.16 0.13 0.00 -1.41 0.00 0.00 57.07 56.33 2ekx s TYR 77 Cb -0.15 0.56 -0.19 0.00 -1.10 0.00 0.00 41.96 41.08 2ekx s TYR 77 CO 0.19 -0.64 0.12 1.28 -2.51 0.00 0.00 175.55 173.99 2ekx n LEU 78 N -0.30 0.00 -4.23 -3.49 4.77 -1.26 -2.09 117.00 110.39 2ekx n LEU 78 Ca -0.09 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.56 2ekx n LEU 78 Cb 0.62 0.26 -0.16 0.00 -2.33 0.00 0.00 43.42 41.81 2ekx n LEU 78 CO 0.11 0.26 -0.52 0.00 -1.33 0.00 0.00 177.39 175.91 2ekx s ALA 79 N -2.51 2.33 0.56 -1.18 0.00 -1.26 -4.92 121.76 114.77 2ekx s ALA 79 Ca -0.07 -1.02 0.28 0.00 0.00 0.00 0.00 51.96 51.15 2ekx s ALA 79 Cb 0.05 -1.02 1.47 0.00 0.00 0.00 0.00 23.12 23.63 2ekx s ALA 79 CO 0.58 0.11 1.96 1.49 0.00 0.00 0.00 175.76 179.90 2ekx h GLU 80 N 7.05 0.00 -0.84 0.00 4.81 -2.01 0.46 114.58 124.04 2ekx h GLU 80 Ca -0.27 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 2ekx h GLU 80 Cb 1.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2ekx h GLU 80 CO 0.53 0.00 0.07 0.09 -0.73 0.00 0.00 179.01 178.97 2ekx n ASN 81 N -4.06 3.27 -3.87 1.04 3.02 -1.26 -4.87 115.26 108.52 2ekx n ASN 81 Ca 0.09 -2.51 -0.09 0.00 -0.03 0.00 0.00 54.58 52.04 2ekx n ASN 81 Cb 0.64 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 2ekx n ASN 81 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ekx s TYR 82 N -1.77 0.20 -0.05 3.10 2.02 0.16 -5.02 117.35 115.98 2ekx s TYR 82 Ca 0.26 -0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 2ekx s TYR 82 Cb 0.20 0.06 0.03 0.00 -0.40 0.00 0.00 41.96 41.86 2ekx s TYR 82 CO 0.07 -0.74 0.35 0.00 -1.57 0.00 0.00 175.55 173.66 2ekx n PHE 84 N 1.74 -0.53 -0.07 0.00 3.72 -1.00 -5.03 117.46 116.30 2ekx n PHE 84 Ca -0.19 -1.40 -0.09 0.00 -0.05 0.00 0.00 57.45 55.72 2ekx n PHE 84 Cb 0.56 0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 39.22 2ekx n PHE 84 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2ekx n ASP 85 N -2.22 2.83 -4.27 4.37 8.00 -1.26 -3.91 116.55 120.08 2ekx n ASP 85 Ca 0.03 -0.06 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 2ekx n ASP 85 Cb 0.31 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ekx s SER 86 N -5.19 1.01 0.00 -2.24 0.01 -1.26 -4.57 113.70 101.46 2ekx s SER 86 Ca -0.17 -1.40 -0.24 0.00 1.31 0.00 0.00 55.95 55.45 2ekx s SER 86 Cb 0.05 0.22 -0.15 0.00 0.21 0.00 0.00 66.02 66.34 2ekx s SER 86 CO 0.34 -0.76 1.13 0.40 0.41 0.00 0.00 173.24 174.76 2ekx h ILE 87 N 2.42 0.47 0.00 1.44 5.03 -1.97 -3.02 117.51 121.88 2ekx h ILE 87 Ca -0.38 -0.55 0.00 0.00 -0.12 0.00 0.00 64.86 63.81 2ekx h ILE 87 Cb 1.25 0.68 0.00 0.00 -3.03 0.00 0.00 36.82 35.72 2ekx h ILE 87 CO 0.59 0.08 0.00 -0.81 -0.68 0.00 0.00 178.15 177.33 2ekx n PRO 88 N -5.19 0.36 0.06 2.37 -0.04 -1.26 -2.02 135.00 129.28 2ekx n PRO 88 Ca -0.10 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 2ekx n PRO 88 Cb 0.29 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.14 0.41 -0.02 0.54 4.81 -1.14 -3.50 118.16 118.11 2ekx n LYS 89 Ca 0.09 0.05 -0.15 0.00 -0.87 0.00 0.00 58.31 57.44 2ekx n LYS 89 Cb 0.09 -1.69 -0.14 0.00 0.02 0.00 0.00 35.03 33.31 2ekx n LYS 89 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2ekx n LEU 90 N -2.24 1.69 -0.01 3.14 0.00 -0.86 -4.37 117.00 114.35 2ekx n LEU 90 Ca 0.01 0.26 -0.13 0.00 0.00 0.00 0.00 56.01 56.15 2ekx n LEU 90 Cb 0.48 -0.42 -0.10 0.00 0.00 0.00 0.00 43.42 43.38 2ekx n LEU 90 CO 0.39 0.63 0.64 0.40 0.00 0.00 0.00 177.39 179.46 2ekx h ILE 91 N 0.03 1.38 -0.94 1.96 5.03 -1.71 -3.14 117.51 120.12 2ekx h ILE 91 Ca -0.39 -1.13 0.36 0.00 -0.12 0.00 0.00 64.86 63.59 2ekx h ILE 91 Cb 2.03 2.14 -0.14 0.00 -3.03 0.00 0.00 36.82 37.83 2ekx h ILE 91 CO 0.07 0.29 0.55 1.57 -0.68 0.00 0.00 178.15 179.95 2ekx n HIS 92 N -4.86 0.82 -0.03 1.37 -0.00 -1.23 0.14 115.22 111.44 2ekx n HIS 92 Ca -0.08 0.83 -0.14 0.00 0.46 0.00 0.00 57.72 58.78 2ekx n HIS 92 Cb 0.25 -1.24 -0.11 0.00 -0.12 0.00 0.00 29.99 28.77 2ekx n HIS 92 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2ekx h TYR 93 N 0.00 0.21 -0.48 1.57 0.05 -1.76 -3.30 116.97 113.26 2ekx h TYR 93 Ca 0.71 -0.10 0.09 0.00 0.05 0.00 0.00 58.73 59.48 2ekx h TYR 93 Cb 2.03 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 39.66 2ekx h TYR 93 CO -0.01 0.83 0.03 0.45 -1.05 0.00 0.00 178.16 178.41 2ekx h HIS 94 N -0.47 0.02 -0.88 4.88 3.86 0.13 0.10 115.15 122.80 2ekx h HIS 94 Ca -0.01 0.03 0.29 0.00 -1.16 0.00 0.00 60.37 59.52 2ekx h HIS 94 Cb 0.85 0.06 -0.16 0.00 1.06 0.00 0.00 27.41 29.22 2ekx h HIS 94 CO 0.16 -0.08 0.18 1.04 0.86 0.00 0.00 177.93 180.09 2ekx n GLN 95 N -5.19 -0.06 -0.01 2.45 6.02 -0.29 -2.87 117.38 117.42 2ekx n GLN 95 Ca 0.05 1.29 -0.01 0.00 -0.01 0.00 0.00 57.00 58.32 2ekx n GLN 95 Cb 0.25 -2.14 -0.00 0.00 1.02 0.00 0.00 30.24 29.37 2ekx n GLN 95 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2ekx n HIS 96 N -5.19 0.08 -4.23 1.08 8.25 -0.60 -4.85 115.22 109.78 2ekx n HIS 96 Ca 0.25 0.04 -0.34 0.00 -0.26 0.00 0.00 57.72 57.41 2ekx n HIS 96 Cb 0.84 -0.24 -0.14 0.00 1.12 0.00 0.00 29.99 31.58 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 -3.93 4.27 0.68 0.41 0.01 0.26 -5.06 114.94 111.58 2ekx s ASN 97 Ca -0.02 -0.34 -0.12 0.00 -0.71 0.00 0.00 52.86 51.66 2ekx s ASN 97 Cb 0.00 -1.70 0.00 0.00 0.41 0.00 0.00 41.25 39.96 2ekx s ASN 97 CO 0.04 0.06 1.07 -0.94 -1.51 0.00 0.00 177.10 175.82 2ekx s SER 98 N 0.99 5.30 -0.01 -1.22 1.04 -1.25 -3.22 113.70 115.34 2ekx s SER 98 Ca -0.00 1.75 0.06 0.00 0.48 0.00 0.00 55.95 58.24 2ekx s SER 98 Cb -0.15 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.44 2ekx s SER 98 CO -0.00 -1.49 -0.20 0.00 0.98 0.00 0.00 173.24 172.53 2ekx s ALA 99 N -2.79 1.65 0.00 5.32 0.00 -1.26 -4.98 121.76 119.70 2ekx s ALA 99 Ca 0.61 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2ekx s ALA 99 Cb -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2ekx s ALA 99 CO 0.49 0.40 0.00 0.41 0.00 0.00 0.00 175.76 177.06 2ekx n GLY 100 N 2.53 0.81 2.17 0.00 0.00 -1.26 -2.37 105.19 107.07 2ekx n GLY 100 Ca -0.15 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 2ekx n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ekx n MET 101 N 0.00 2.75 -4.04 1.61 0.00 -1.26 -4.80 117.12 111.38 2ekx n MET 101 Ca 0.00 -1.64 -0.32 0.00 0.00 0.00 0.00 57.70 55.75 2ekx n MET 101 Cb 0.00 -2.32 -0.15 0.00 0.00 0.00 0.00 33.22 30.75 2ekx n MET 101 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2ekx s ILE 102 N 1.07 2.04 0.33 2.02 -1.09 -1.00 -5.10 121.20 119.47 2ekx s ILE 102 Ca 0.67 -1.62 -0.17 0.00 -2.23 0.00 0.00 60.65 57.30 2ekx s ILE 102 Cb 0.27 -2.22 -0.12 0.00 -1.58 0.00 0.00 42.46 38.81 2ekx s ILE 102 CO -0.04 -0.11 0.05 0.41 -1.23 0.00 0.00 174.94 174.02 2ekx n THR 103 N 4.47 0.44 -2.60 2.92 -1.04 -1.26 -4.33 114.28 112.88 2ekx n THR 103 Ca -0.12 -0.40 -0.41 0.00 -2.04 0.00 0.00 64.05 61.08 2ekx n THR 103 Cb 0.42 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 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 -0.80 3.34 -0.72 -2.82 6.06 -1.26 -4.90 118.95 117.86 2ekx s ARG 104 Ca 0.47 -0.67 -0.33 0.00 -2.50 0.00 0.00 55.73 52.70 2ekx s ARG 104 Cb -0.49 -4.62 -0.17 0.00 0.06 0.00 0.00 34.95 29.72 2ekx s ARG 104 CO 0.50 -2.12 2.47 1.28 -2.50 0.00 0.00 175.30 174.93 2ekx n LEU 105 N 8.92 0.99 0.07 -0.88 4.77 -1.26 -4.82 117.00 124.78 2ekx n LEU 105 Ca 0.14 0.20 -0.03 0.00 -0.03 0.00 0.00 56.01 56.29 2ekx n LEU 105 Cb 0.49 -1.08 -0.01 0.00 -2.33 0.00 0.00 43.42 40.49 2ekx n LEU 105 CO 0.68 -0.87 0.21 0.03 -1.33 0.00 0.00 177.39 176.11 2ekx h ARG 106 N 12.71 -0.20 -5.14 3.23 3.08 -1.12 -3.42 114.38 123.53 2ekx h ARG 106 Ca -0.12 0.01 -0.41 0.00 0.07 0.00 0.00 59.98 59.53 2ekx h ARG 106 Cb 1.33 0.04 -0.24 0.00 0.08 0.00 0.00 29.97 31.18 2ekx h ARG 106 CO 1.24 -0.13 -0.78 -1.01 -1.07 0.00 0.00 179.97 178.22 2ekx s HIS 107 N -2.38 1.09 1.05 3.04 3.76 -1.17 -5.01 115.29 115.66 2ekx s HIS 107 Ca -0.03 -0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 54.37 2ekx s HIS 107 Cb 0.00 -0.64 0.21 0.00 1.11 0.00 0.00 32.58 33.27 2ekx s HIS 107 CO 0.09 0.02 1.10 -1.25 -0.85 0.00 0.00 174.74 173.84 2ekx s PRO 108 N -1.22 0.02 -0.21 8.40 0.04 -1.26 -0.83 135.00 139.94 2ekx s PRO 108 Ca -0.01 0.38 -0.24 0.00 0.04 0.00 0.00 61.00 61.17 2ekx s PRO 108 Cb -0.08 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 32.82 2ekx s PRO 108 CO 0.01 -2.98 0.65 0.08 0.04 0.00 0.00 177.00 174.80 2ekx s VAL 109 N -2.97 0.00 0.00 -0.36 1.01 0.11 -4.55 120.40 113.64 2ekx s VAL 109 Ca 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2ekx s VAL 109 Cb -0.17 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.29 2ekx s VAL 109 CO 0.57 -0.01 0.00 -1.54 0.00 0.00 0.00 175.10 174.13