#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 2.57 -0.17 1.61 0.01 -1.26 -5.15 113.70 111.32 2ekx s SER 2 Ca 0.00 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 55.69 2ekx s SER 2 Cb 0.00 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.59 2ekx s SER 2 CO 0.00 -0.83 -0.11 -0.94 0.41 0.00 0.00 173.24 171.77 2ekx s SER 3 N -3.56 2.92 -1.10 2.44 1.04 -1.26 -5.04 113.70 109.14 2ekx s SER 3 Ca 0.28 -0.64 -0.17 0.00 0.48 0.00 0.00 55.95 55.89 2ekx s SER 3 Cb 0.05 -1.12 -0.07 0.00 0.10 0.00 0.00 66.02 64.98 2ekx s SER 3 CO 0.15 -0.12 2.10 0.61 0.98 0.00 0.00 173.24 176.96 2ekx n GLY 4 N 4.77 3.44 3.53 7.32 0.00 -1.26 -4.94 105.19 118.05 2ekx n GLY 4 Ca -0.15 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 4.05 1.37 -1.08 1.61 0.01 -1.26 -4.92 113.70 113.48 2ekx s SER 5 Ca 0.53 1.69 -0.04 0.00 1.31 0.00 0.00 55.95 59.44 2ekx s SER 5 Cb 0.14 -2.38 0.31 0.00 0.21 0.00 0.00 66.02 64.30 2ekx s SER 5 CO 0.02 -3.99 1.54 -1.20 0.41 0.00 0.00 173.24 170.02 2ekx n SER 6 N -4.79 6.52 -4.72 2.44 7.64 -1.26 -5.02 113.62 114.44 2ekx n SER 6 Ca 0.05 -3.44 -0.42 0.00 1.01 0.00 0.00 58.87 56.07 2ekx n SER 6 Cb 0.54 -1.26 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 2ekx n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ekx s GLY 7 N -1.68 1.87 -0.02 0.23 0.00 -1.26 -4.90 107.32 101.56 2ekx s GLY 7 Ca 0.32 1.18 0.21 0.00 0.00 0.00 0.00 44.72 46.43 2ekx s GLY 7 CO 0.08 2.42 0.65 -0.10 0.00 0.00 0.00 173.10 176.14 2ekx n LEU 8 N 3.99 0.43 0.01 0.66 7.94 -1.26 -4.27 117.00 124.51 2ekx n LEU 8 Ca 0.12 -0.22 0.11 0.00 -1.11 0.00 0.00 56.01 54.91 2ekx n LEU 8 Cb 0.41 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.25 2ekx n LEU 8 CO 0.59 0.11 -0.46 -0.67 -1.11 0.00 0.00 177.39 175.86 2ekx n ASP 9 N -1.90 0.33 0.00 1.96 2.03 -1.26 -4.09 116.55 113.62 2ekx n ASP 9 Ca -0.00 -0.09 0.06 0.00 0.52 0.00 0.00 54.79 55.28 2ekx n ASP 9 Cb 0.45 1.48 0.37 0.00 -0.72 0.00 0.00 41.12 42.69 2ekx n ASP 9 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ekx n ASP 10 N -2.20 0.00 -3.55 1.67 8.00 -1.26 -4.79 116.55 114.41 2ekx n ASP 10 Ca -0.02 -1.20 -0.15 0.00 0.71 0.00 0.00 54.79 54.13 2ekx n ASP 10 Cb 0.52 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.71 2ekx n ASP 10 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2ekx n TYR 11 N -0.74 -3.23 -0.09 1.24 4.01 -1.26 -5.07 117.16 112.02 2ekx n TYR 11 Ca 0.09 -1.06 -0.15 0.00 -0.16 0.00 0.00 57.90 56.62 2ekx n TYR 11 Cb 0.04 -0.49 -0.05 0.00 -0.31 0.00 0.00 39.34 38.53 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 -3.03 1.68 -0.25 7.72 8.00 -1.26 -4.54 116.55 124.88 2ekx n ASP 12 Ca 0.10 0.28 0.23 0.00 0.71 0.00 0.00 54.79 56.11 2ekx n ASP 12 Cb 0.37 -0.66 0.57 0.00 -0.02 0.00 0.00 41.12 41.38 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 -0.80 0.43 -1.73 1.24 5.08 -1.88 -3.39 115.95 114.89 2ekx h TRP 13 Ca -0.26 0.01 -0.49 0.00 1.08 0.00 0.00 58.89 59.24 2ekx h TRP 13 Cb 1.12 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 2ekx h TRP 13 CO -0.22 0.09 1.58 0.12 -1.28 0.00 0.00 178.44 178.73 2ekx s PHE 14 N -5.32 1.15 -0.06 0.12 2.19 -1.26 -1.99 117.98 112.81 2ekx s PHE 14 Ca -0.07 1.32 -0.01 0.00 0.33 0.00 0.00 56.93 58.49 2ekx s PHE 14 Cb 0.23 -3.69 -0.00 0.00 -1.31 0.00 0.00 43.02 38.24 2ekx s PHE 14 CO 0.78 -2.79 -0.03 0.00 1.83 0.00 0.00 175.22 175.02 2ekx h ALA 15 N 18.34 0.00 -2.40 11.12 0.00 -0.01 -3.47 119.26 142.85 2ekx h ALA 15 Ca -0.27 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 54.76 2ekx h ALA 15 Cb 1.25 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 2ekx h ALA 15 CO 1.13 0.08 -0.81 0.41 0.00 0.00 0.00 179.25 180.06 2ekx n GLY 16 N 1.82 -2.96 3.29 0.00 0.00 -0.96 -4.82 105.19 101.57 2ekx n GLY 16 Ca -0.01 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 2ekx n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ekx n ASN 17 N -3.66 -3.99 -4.35 1.61 3.02 -1.26 -4.92 115.26 101.71 2ekx n ASN 17 Ca -0.06 -0.36 -0.31 0.00 -0.03 0.00 0.00 54.58 53.83 2ekx n ASN 17 Cb 0.47 -3.29 -0.15 0.00 -0.61 0.00 0.00 39.78 36.20 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 -2.95 2.22 0.69 2.41 -4.36 -1.26 -5.07 121.20 112.88 2ekx s ILE 18 Ca 0.37 -1.19 0.02 0.00 -0.26 0.00 0.00 60.65 59.60 2ekx s ILE 18 Cb -0.19 -1.82 0.12 0.00 1.25 0.00 0.00 42.46 41.81 2ekx s ILE 18 CO 0.46 0.48 0.95 -0.44 0.24 0.00 0.00 174.94 176.63 2ekx s SER 19 N -0.91 4.50 0.59 4.36 0.01 -1.26 -4.80 113.70 116.19 2ekx s SER 19 Ca 0.11 -0.54 0.30 0.00 1.31 0.00 0.00 55.95 57.13 2ekx s SER 19 Cb -0.10 0.14 1.81 0.00 0.21 0.00 0.00 66.02 68.09 2ekx s SER 19 CO 0.01 -1.76 2.25 0.03 0.41 0.00 0.00 173.24 174.17 2ekx h ARG 20 N -0.36 0.00 0.00 12.44 2.47 -2.01 -0.93 114.38 126.00 2ekx h ARG 20 Ca -0.34 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.37 2ekx h ARG 20 Cb 1.27 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.59 2ekx h ARG 20 CO 0.39 0.01 -0.17 0.77 0.56 0.00 0.00 179.97 181.53 2ekx h SER 21 N 0.00 0.00 0.17 7.04 0.02 -2.00 -3.31 113.55 115.48 2ekx h SER 21 Ca -0.00 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2ekx h SER 21 Cb 0.03 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 2ekx h SER 21 CO 0.00 0.65 -0.43 1.56 -1.14 0.00 0.00 176.83 177.47 2ekx h GLN 22 N -1.00 -0.68 -1.34 3.45 1.08 -1.91 0.18 115.11 114.89 2ekx h GLN 22 Ca -0.01 0.05 0.43 0.00 -1.45 0.00 0.00 58.65 57.66 2ekx h GLN 22 Cb 0.27 0.15 -0.12 0.00 -0.05 0.00 0.00 27.48 27.74 2ekx h GLN 22 CO -0.01 -0.45 0.88 0.66 -0.95 0.00 0.00 178.83 178.96 2ekx h SER 23 N -0.70 0.23 0.17 1.46 4.64 -1.37 0.77 113.55 118.75 2ekx h SER 23 Ca 0.01 0.12 -0.27 0.00 -0.47 0.00 0.00 61.79 61.17 2ekx h SER 23 Cb 0.71 0.10 0.03 0.00 -0.31 0.00 0.00 62.40 62.93 2ekx h SER 23 CO -0.22 -0.14 -1.17 -0.33 -0.87 0.00 0.00 176.83 174.11 2ekx h GLU 24 N 0.10 0.50 0.00 4.77 5.08 -1.26 -3.28 114.58 120.49 2ekx h GLU 24 Ca 0.80 -0.76 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2ekx h GLU 24 Cb 2.56 0.27 0.00 0.00 0.50 0.00 0.00 28.75 32.08 2ekx h GLU 24 CO -0.36 1.35 0.00 1.04 -1.00 0.00 0.00 179.01 180.04 2ekx n GLN 25 N -3.89 0.00 -0.40 2.33 1.13 0.23 -2.20 117.38 114.58 2ekx n GLN 25 Ca -0.15 0.49 0.32 0.00 -1.94 0.00 0.00 57.00 55.72 2ekx n GLN 25 Cb 0.96 -1.25 0.52 0.00 0.11 0.00 0.00 30.24 30.59 2ekx n GLN 25 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2ekx n LEU 26 N -1.96 0.10 0.00 1.08 4.77 0.78 -0.22 117.00 121.55 2ekx n LEU 26 Ca 0.00 0.89 -0.00 0.00 -0.03 0.00 0.00 56.01 56.87 2ekx n LEU 26 Cb 0.00 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2ekx n LEU 26 CO 0.00 -0.95 0.17 -0.07 -1.33 0.00 0.00 177.39 175.22 2ekx h LEU 27 N 0.00 -0.01 -1.79 2.23 3.38 -1.61 -3.20 115.31 114.31 2ekx h LEU 27 Ca 0.65 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.94 2ekx h LEU 27 Cb 2.29 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.97 2ekx h LEU 27 CO -0.21 0.00 0.80 0.08 0.09 0.00 0.00 178.44 179.20 2ekx h ARG 28 N -0.03 0.11 -0.63 1.13 0.11 -0.34 0.22 114.38 114.96 2ekx h ARG 28 Ca -0.00 -0.01 0.05 0.00 0.10 0.00 0.00 59.98 60.12 2ekx h ARG 28 Cb 0.01 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.01 2ekx h ARG 28 CO 0.00 0.08 0.35 1.96 0.10 0.00 0.00 179.97 182.46 2ekx h GLN 29 N 0.12 0.65 -0.87 0.08 1.08 -0.68 -2.25 115.11 113.24 2ekx h GLN 29 Ca 0.58 -0.04 0.36 0.00 -1.45 0.00 0.00 58.65 58.11 2ekx h GLN 29 Cb 2.06 -0.15 -0.16 0.00 -0.05 0.00 0.00 27.48 29.19 2ekx h GLN 29 CO -0.11 0.43 0.45 1.17 -0.95 0.00 0.00 178.83 179.82 2ekx n LYS 30 N -4.79 -0.05 -1.48 1.46 3.00 0.77 -4.75 118.16 112.32 2ekx n LYS 30 Ca 0.07 1.21 -0.04 0.00 -0.00 0.00 0.00 58.31 59.55 2ekx n LYS 30 Cb 0.14 -2.16 -0.01 0.00 0.00 0.00 0.00 35.03 33.01 2ekx n LYS 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ekx n GLY 31 N -1.23 0.50 2.66 3.14 0.00 -0.85 -5.02 105.19 104.39 2ekx n GLY 31 Ca 0.33 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.03 0.40 -0.29 1.61 1.02 -1.26 -5.09 119.74 113.09 2ekx s LYS 32 Ca 0.00 -0.42 -0.32 0.00 0.02 0.00 0.00 55.97 55.25 2ekx s LYS 32 Cb 0.00 -1.84 -0.09 0.00 -0.52 0.00 0.00 37.83 35.38 2ekx s LYS 32 CO 0.00 -0.76 2.21 -0.85 -0.92 0.00 0.00 175.35 175.03 2ekx n GLU 33 N 5.13 1.44 0.00 1.68 0.28 -1.26 -1.79 120.64 126.12 2ekx n GLU 33 Ca -0.07 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 2ekx n GLU 33 Cb 0.46 -2.79 0.00 0.00 1.43 0.00 0.00 31.44 30.54 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 6.23 1.26 3.25 -1.84 0.00 -0.71 -4.90 105.19 108.49 2ekx n GLY 34 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.40 -2.91 4.61 0.00 -0.74 -1.84 120.51 116.23 2ekx n ALA 35 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 53.44 52.96 2ekx n ALA 35 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.02 -0.05 0.29 0.00 -0.71 0.97 -0.87 117.98 115.60 2ekx s PHE 36 Ca 0.54 -0.30 -0.19 0.00 -1.04 0.00 0.00 56.93 55.94 2ekx s PHE 36 Cb -0.31 0.17 0.06 0.00 -1.21 0.00 0.00 43.02 41.73 2ekx s PHE 36 CO 0.70 -0.70 0.88 0.00 -1.34 0.00 0.00 175.22 174.76 2ekx s MET 37 N -3.84 1.82 -0.06 1.99 0.23 0.78 0.20 119.30 120.42 2ekx s MET 37 Ca 0.06 -1.15 -0.06 0.00 -1.03 0.00 0.00 55.69 53.50 2ekx s MET 37 Cb 0.02 0.53 0.02 0.00 -1.53 0.00 0.00 34.83 33.86 2ekx s MET 37 CO -0.09 -0.85 0.18 0.08 -2.03 0.00 0.00 175.02 172.30 2ekx s VAL 38 N -2.49 0.01 0.28 5.16 1.01 -0.84 -2.25 120.40 121.29 2ekx s VAL 38 Ca 0.17 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.12 2ekx s VAL 38 Cb -0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 2ekx s VAL 38 CO 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 175.10 175.09 2ekx s ARG 39 N -0.10 1.56 -0.11 2.72 1.70 -0.64 0.62 118.95 124.70 2ekx s ARG 39 Ca -0.02 -1.80 -0.15 0.00 -0.47 0.00 0.00 55.73 53.30 2ekx s ARG 39 Cb -0.02 -1.14 -0.05 0.00 -0.57 0.00 0.00 34.95 33.18 2ekx s ARG 39 CO 0.00 0.02 0.35 1.21 -1.08 0.00 0.00 175.30 175.81 2ekx s ASN 40 N -3.45 6.58 0.45 -2.89 3.84 -1.26 -3.29 114.94 114.93 2ekx s ASN 40 Ca 0.30 0.68 -0.22 0.00 0.21 0.00 0.00 52.86 53.84 2ekx s ASN 40 Cb 0.04 -2.22 -0.09 0.00 -0.55 0.00 0.00 41.25 38.44 2ekx s ASN 40 CO 0.12 0.15 1.03 -0.44 -2.79 0.00 0.00 177.10 175.16 2ekx s SER 41 N 0.06 6.56 0.18 -4.21 0.01 -1.26 -4.82 113.70 110.23 2ekx s SER 41 Ca 0.20 1.92 -0.26 0.00 1.31 0.00 0.00 55.95 59.12 2ekx s SER 41 Cb -0.14 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.56 2ekx s SER 41 CO 0.08 -0.63 1.53 -1.20 0.41 0.00 0.00 173.24 173.43 2ekx n SER 42 N -0.64 -0.92 -4.88 2.44 7.64 -1.26 -4.31 113.62 111.70 2ekx n SER 42 Ca 0.08 1.76 -0.37 0.00 1.01 0.00 0.00 58.87 61.34 2ekx n SER 42 Cb 0.52 -0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 2ekx n SER 42 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2ekx s GLN 43 N -5.65 3.48 0.31 1.43 -0.21 -1.26 -5.06 119.66 112.70 2ekx s GLN 43 Ca -0.13 -0.09 -0.29 0.00 0.02 0.00 0.00 55.36 54.87 2ekx s GLN 43 Cb 0.14 -3.19 -0.11 0.00 1.00 0.00 0.00 33.01 30.86 2ekx s GLN 43 CO 0.65 0.76 1.48 0.08 -2.12 0.00 0.00 175.29 176.14 2ekx s VAL 44 N -1.05 2.32 0.00 1.09 1.01 -1.26 -3.77 120.40 118.74 2ekx s VAL 44 Ca 0.17 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2ekx s VAL 44 Cb -0.12 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2ekx s VAL 44 CO 0.06 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2ekx n GLY 45 N 1.49 4.03 3.86 4.51 0.00 -1.26 -5.11 105.19 112.71 2ekx n GLY 45 Ca 0.04 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 2.44 0.00 1.61 -1.94 -1.25 -4.99 119.30 115.17 2ekx s MET 46 Ca 0.00 -1.66 -0.19 0.00 -1.71 0.00 0.00 55.69 52.13 2ekx s MET 46 Cb 0.00 -2.28 0.04 0.00 2.01 0.00 0.00 34.83 34.59 2ekx s MET 46 CO 0.00 -0.26 0.41 0.71 -0.01 0.00 0.00 175.02 175.87 2ekx s TYR 47 N -2.54 -0.30 -0.20 -0.03 1.51 -1.26 -3.98 117.35 110.56 2ekx s TYR 47 Ca 0.45 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.93 2ekx s TYR 47 Cb -0.02 0.20 0.04 0.00 -0.11 0.00 0.00 41.96 42.06 2ekx s TYR 47 CO 0.26 -0.50 -0.13 0.99 -1.11 0.00 0.00 175.55 175.07 2ekx s THR 48 N -1.74 1.79 -0.50 -0.71 2.01 -1.21 -0.52 115.64 114.77 2ekx s THR 48 Ca -0.10 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.71 2ekx s THR 48 Cb -0.03 -1.80 0.10 0.00 0.01 0.00 0.00 72.50 70.79 2ekx s THR 48 CO 0.03 0.25 0.43 -0.69 -0.69 0.00 0.00 174.62 173.95 2ekx s VAL 49 N 1.34 5.12 -0.09 3.82 1.01 -0.66 -1.62 120.40 129.33 2ekx s VAL 49 Ca -0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 60.58 2ekx s VAL 49 Cb -0.16 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 2ekx s VAL 49 CO -0.09 -0.70 0.24 -0.94 0.00 0.00 0.00 175.10 173.61 2ekx s SER 50 N 2.98 6.52 0.04 3.32 1.04 -0.95 -2.69 113.70 123.96 2ekx s SER 50 Ca 0.04 0.63 -0.11 0.00 0.48 0.00 0.00 55.95 56.98 2ekx s SER 50 Cb -0.27 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 63.72 2ekx s SER 50 CO 0.05 0.34 0.23 -1.48 0.98 0.00 0.00 173.24 173.36 2ekx s LEU 51 N -0.84 1.22 -0.28 2.42 0.05 -1.22 -0.15 118.68 119.87 2ekx s LEU 51 Ca 0.18 -0.33 -0.15 0.00 0.05 0.00 0.00 54.13 53.87 2ekx s LEU 51 Cb -0.14 1.08 -0.03 0.00 -2.05 0.00 0.00 46.19 45.05 2ekx s LEU 51 CO 0.07 -0.58 0.39 0.12 -0.55 0.00 0.00 176.35 175.79 2ekx s PHE 52 N -2.63 3.24 -0.12 3.48 2.19 -0.04 -2.58 117.98 121.51 2ekx s PHE 52 Ca -0.05 0.36 0.02 0.00 0.33 0.00 0.00 56.93 57.60 2ekx s PHE 52 Cb -0.01 -2.61 -0.00 0.00 -1.31 0.00 0.00 43.02 39.09 2ekx s PHE 52 CO -0.04 -0.27 -0.20 0.45 1.83 0.00 0.00 175.22 176.99 2ekx s SER 53 N 1.65 3.38 -0.10 6.13 0.15 -1.26 -1.73 113.70 121.92 2ekx s SER 53 Ca 0.15 -0.50 -0.03 0.00 0.70 0.00 0.00 55.95 56.26 2ekx s SER 53 Cb -0.16 -1.48 0.05 0.00 -1.71 0.00 0.00 66.02 62.72 2ekx s SER 53 CO 0.10 0.13 0.15 -0.75 1.20 0.00 0.00 173.24 174.08 2ekx s LYS 54 N 0.50 0.04 -0.30 5.44 2.47 -1.26 -2.74 119.74 123.90 2ekx s LYS 54 Ca -0.13 0.47 -0.07 0.00 -1.56 0.00 0.00 55.97 54.68 2ekx s LYS 54 Cb -0.17 -0.50 0.16 0.00 -1.46 0.00 0.00 37.83 35.86 2ekx s LYS 54 CO 0.05 -0.37 0.66 0.00 0.16 0.00 0.00 175.35 175.84 2ekx s ALA 55 N 2.28 -2.20 0.32 3.13 0.00 -1.03 -4.91 121.76 119.35 2ekx s ALA 55 Ca 0.04 2.11 0.20 0.00 0.00 0.00 0.00 51.96 54.31 2ekx s ALA 55 Cb -0.13 -1.97 1.14 0.00 0.00 0.00 0.00 23.12 22.16 2ekx s ALA 55 CO -0.06 -1.10 1.28 1.33 0.00 0.00 0.00 175.76 177.20 2ekx n VAL 56 N 5.42 -0.30 -0.04 0.00 0.24 -1.23 0.17 118.33 122.59 2ekx n VAL 56 Ca -0.07 1.59 -0.14 0.00 -2.04 0.00 0.00 64.34 63.68 2ekx n VAL 56 Cb 0.50 -2.60 -0.09 0.00 -1.47 0.00 0.00 33.84 30.18 2ekx n VAL 56 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2ekx h ASN 57 N 0.00 0.29 0.00 -1.34 4.21 -2.05 -3.39 115.58 113.30 2ekx h ASN 57 Ca 0.70 -0.60 0.00 0.00 1.21 0.00 0.00 56.30 57.61 2ekx h ASN 57 Cb 1.99 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 39.10 2ekx h ASN 57 CO -0.55 0.84 0.00 0.47 -1.29 0.00 0.00 177.43 176.91 2ekx n ASP 58 N -4.55 0.00 -3.66 5.81 8.00 0.44 -5.03 116.55 117.56 2ekx n ASP 58 Ca -0.08 0.64 -0.10 0.00 0.71 0.00 0.00 54.79 55.96 2ekx n ASP 58 Cb 0.42 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2ekx n ASP 58 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ekx s LYS 59 N -1.62 1.76 -0.23 -1.24 -0.14 0.12 -4.96 119.74 113.43 2ekx s LYS 59 Ca 0.00 -1.36 0.02 0.00 -1.36 0.00 0.00 55.97 53.27 2ekx s LYS 59 Cb 0.00 0.50 0.35 0.00 -1.68 0.00 0.00 37.83 37.00 2ekx s LYS 59 CO 0.00 -0.76 1.46 1.17 -0.76 0.00 0.00 175.35 176.46 2ekx n LYS 60 N -0.45 1.70 -0.08 1.68 4.81 -1.26 -2.47 118.16 122.08 2ekx n LYS 60 Ca -0.02 -1.54 0.00 0.00 -0.87 0.00 0.00 58.31 55.88 2ekx n LYS 60 Cb 0.61 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 34.05 2ekx n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ekx n GLY 61 N -0.32 -0.21 3.08 3.14 0.00 -1.26 -4.99 105.19 104.63 2ekx n GLY 61 Ca 0.30 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.41 0.07 2.61 2.01 -1.11 -5.05 115.64 113.76 2ekx s THR 62 Ca 0.00 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 61.93 2ekx s THR 62 Cb 0.00 -0.50 -0.08 0.00 0.01 0.00 0.00 72.50 71.93 2ekx s THR 62 CO 0.00 0.10 1.61 -0.69 -0.69 0.00 0.00 174.62 174.95 2ekx s VAL 63 N 2.31 3.08 0.36 3.82 1.01 -1.26 -4.04 120.40 125.67 2ekx s VAL 63 Ca -0.01 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.57 2ekx s VAL 63 Cb -0.12 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2ekx s VAL 63 CO -0.10 0.00 0.53 -0.54 0.00 0.00 0.00 175.10 175.00 2ekx s LYS 64 N 2.41 3.16 -0.08 2.72 3.01 -1.07 -5.00 119.74 124.90 2ekx s LYS 64 Ca 0.72 -0.76 -0.03 0.00 -1.01 0.00 0.00 55.97 54.89 2ekx s LYS 64 Cb -0.39 -2.73 0.04 0.00 -1.01 0.00 0.00 37.83 33.74 2ekx s LYS 64 CO 0.31 -0.00 0.06 -3.38 0.51 0.00 0.00 175.35 172.85 2ekx s HIS 65 N -2.29 0.20 -0.26 3.18 -3.43 -1.26 -3.43 115.29 108.00 2ekx s HIS 65 Ca 0.44 0.03 -0.05 0.00 -0.80 0.00 0.00 55.06 54.69 2ekx s HIS 65 Cb -0.10 -0.59 0.00 0.00 -1.43 0.00 0.00 32.58 30.47 2ekx s HIS 65 CO 0.33 -0.30 0.02 0.71 -2.00 0.00 0.00 174.74 173.51 2ekx s TYR 66 N 2.13 3.08 -0.20 0.38 2.02 -1.09 -5.02 117.35 118.65 2ekx s TYR 66 Ca 0.04 -1.02 -0.21 0.00 -0.37 0.00 0.00 57.07 55.50 2ekx s TYR 66 Cb -0.13 -2.18 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 2ekx s TYR 66 CO -0.05 -0.58 0.66 -1.01 -1.57 0.00 0.00 175.55 173.01 2ekx s HIS 67 N 1.47 3.38 -0.61 2.71 3.76 -1.26 -1.65 115.29 123.09 2ekx s HIS 67 Ca 0.03 0.97 -0.26 0.00 -0.15 0.00 0.00 55.06 55.65 2ekx s HIS 67 Cb -0.16 -2.83 -0.03 0.00 1.11 0.00 0.00 32.58 30.67 2ekx s HIS 67 CO -0.00 -0.19 1.94 0.08 -0.85 0.00 0.00 174.74 175.71 2ekx s VAL 68 N 1.97 3.31 0.33 -0.90 1.01 0.32 -4.83 120.40 121.61 2ekx s VAL 68 Ca 0.30 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 2ekx s VAL 68 Cb -0.16 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 2ekx s VAL 68 CO 0.11 -0.79 0.92 -1.00 0.00 0.00 0.00 175.10 174.33 2ekx s HIS 69 N 9.56 3.63 -0.07 5.22 3.76 -1.11 -4.27 115.29 132.01 2ekx s HIS 69 Ca 0.71 1.72 -0.00 0.00 -0.15 0.00 0.00 55.06 57.34 2ekx s HIS 69 Cb -0.13 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.65 2ekx s HIS 69 CO 0.20 0.18 -0.03 0.99 -0.85 0.00 0.00 174.74 175.23 2ekx s THR 70 N -1.69 4.05 0.54 1.30 2.01 -1.26 -3.19 115.64 117.40 2ekx s THR 70 Ca 0.51 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2ekx s THR 70 Cb -0.17 -2.70 0.11 0.00 0.01 0.00 0.00 72.50 69.75 2ekx s THR 70 CO 0.22 0.57 0.75 -3.20 -0.69 0.00 0.00 174.62 172.27 2ekx n ASN 71 N 2.08 1.14 -0.30 3.53 5.15 0.16 -4.87 115.26 122.15 2ekx n ASN 71 Ca -0.18 -1.93 -0.03 0.00 -0.60 0.00 0.00 54.58 51.84 2ekx n ASN 71 Cb 0.53 -0.47 0.13 0.00 -0.53 0.00 0.00 39.78 39.43 2ekx n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ekx h ALA 72 N -0.45 1.22 -0.33 5.20 0.00 -2.00 -1.89 119.26 121.01 2ekx h ALA 72 Ca -0.25 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 2ekx h ALA 72 Cb 0.95 -0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 2ekx h ALA 72 CO 0.28 0.63 0.21 0.39 0.00 0.00 0.00 179.25 180.75 2ekx n GLU 73 N -4.34 1.49 -2.56 0.00 1.02 -1.26 -4.80 120.64 110.19 2ekx n GLU 73 Ca 0.09 -1.03 -0.18 0.00 -0.02 0.00 0.00 57.16 56.02 2ekx n GLU 73 Cb 0.10 -1.43 -0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.04 -5.08 -4.70 1.62 3.02 -0.71 -4.92 115.26 104.46 2ekx n ASN 74 Ca 0.20 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.33 2ekx n ASN 74 Cb 0.88 -4.23 -0.03 0.00 -0.61 0.00 0.00 39.78 35.79 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 -5.19 4.48 0.04 3.52 -0.14 -1.25 -4.75 119.74 116.44 2ekx s LYS 75 Ca 0.07 1.35 0.01 0.00 -1.36 0.00 0.00 55.97 56.03 2ekx s LYS 75 Cb -0.03 -3.50 -0.04 0.00 -1.68 0.00 0.00 37.83 32.58 2ekx s LYS 75 CO 0.08 -0.18 0.12 -0.51 -0.76 0.00 0.00 175.35 174.11 2ekx s LEU 76 N 1.51 4.03 -0.03 3.17 1.43 -1.26 -0.66 118.68 126.87 2ekx s LEU 76 Ca 0.49 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 2ekx s LEU 76 Cb -0.19 -2.55 0.11 0.00 0.03 0.00 0.00 46.19 43.59 2ekx s LEU 76 CO 0.22 0.21 1.10 -0.72 0.23 0.00 0.00 176.35 177.39 2ekx s TYR 77 N -1.35 -0.16 -0.16 0.29 1.13 -1.19 -2.11 117.35 113.80 2ekx s TYR 77 Ca 0.28 0.02 0.09 0.00 -1.41 0.00 0.00 57.07 56.05 2ekx s TYR 77 Cb -0.12 0.56 -0.16 0.00 -1.10 0.00 0.00 41.96 41.13 2ekx s TYR 77 CO 0.21 -0.44 -0.03 1.28 -2.51 0.00 0.00 175.55 174.06 2ekx n LEU 78 N -0.32 1.06 -4.53 -3.49 4.77 -1.26 -2.74 117.00 110.49 2ekx n LEU 78 Ca -0.06 -0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.56 2ekx n LEU 78 Cb 0.61 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.58 2ekx n LEU 78 CO 0.11 0.53 -0.42 0.00 -1.33 0.00 0.00 177.39 176.28 2ekx s ALA 79 N -2.37 2.83 1.35 -1.18 0.00 -1.26 -4.81 121.76 116.33 2ekx s ALA 79 Ca -0.14 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 50.61 2ekx s ALA 79 Cb 0.05 -1.03 0.34 0.00 0.00 0.00 0.00 23.12 22.47 2ekx s ALA 79 CO 0.55 0.58 0.86 0.39 0.00 0.00 0.00 175.76 178.13 2ekx n GLU 80 N 1.92 -3.88 -2.72 0.00 1.02 -1.26 -3.04 120.64 112.67 2ekx n GLU 80 Ca -0.17 -1.14 -0.06 0.00 -0.02 0.00 0.00 57.16 55.78 2ekx n GLU 80 Cb 0.52 -1.97 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 2ekx n GLU 80 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2ekx n ASN 81 N -5.15 -1.42 -3.76 1.62 5.15 -1.26 -4.86 115.26 105.59 2ekx n ASN 81 Ca 0.09 0.28 -0.13 0.00 -0.60 0.00 0.00 54.58 54.22 2ekx n ASN 81 Cb 0.57 -1.32 -0.10 0.00 -0.53 0.00 0.00 39.78 38.40 2ekx n ASN 81 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2ekx s TYR 82 N -2.20 -0.28 0.00 1.20 2.02 -1.17 -5.17 117.35 111.75 2ekx s TYR 82 Ca 0.09 0.63 0.01 0.00 -0.37 0.00 0.00 57.07 57.43 2ekx s TYR 82 Cb -0.05 0.11 -0.00 0.00 -0.40 0.00 0.00 41.96 41.61 2ekx s TYR 82 CO 0.11 -0.26 -0.03 0.00 -1.57 0.00 0.00 175.55 173.81 2ekx n PHE 84 N 2.83 0.54 -0.10 0.00 3.01 -0.89 -5.04 117.46 117.81 2ekx n PHE 84 Ca -0.14 -1.57 -0.20 0.00 1.01 0.00 0.00 57.45 56.56 2ekx n PHE 84 Cb 0.59 -0.15 -0.12 0.00 -0.01 0.00 0.00 39.48 39.79 2ekx n PHE 84 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2ekx h ASP 85 N 0.82 0.00 -5.53 4.37 1.82 -1.90 -3.40 116.42 112.60 2ekx h ASP 85 Ca -0.24 -0.60 -0.28 0.00 -0.39 0.00 0.00 57.03 55.52 2ekx h ASP 85 Cb 0.78 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.71 2ekx h ASP 85 CO 0.40 1.38 -0.18 -0.44 -1.61 0.00 0.00 179.24 178.79 2ekx s SER 86 N -6.71 0.97 0.04 2.28 0.01 -1.26 -4.82 113.70 104.21 2ekx s SER 86 Ca -0.27 -1.51 -0.32 0.00 1.31 0.00 0.00 55.95 55.17 2ekx s SER 86 Cb 0.04 0.67 -0.18 0.00 0.21 0.00 0.00 66.02 66.77 2ekx s SER 86 CO 0.60 -1.32 1.39 0.40 0.41 0.00 0.00 173.24 174.72 2ekx h ILE 87 N 2.09 0.14 -0.39 1.44 5.03 -1.96 -2.90 117.51 120.96 2ekx h ILE 87 Ca -0.28 -0.16 -0.16 0.00 -0.12 0.00 0.00 64.86 64.14 2ekx h ILE 87 Cb 1.24 0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 35.19 2ekx h ILE 87 CO 0.39 0.01 -0.38 1.55 -0.68 0.00 0.00 178.15 179.03 2ekx h PRO 88 N -1.17 0.94 0.00 2.37 0.13 -1.97 -2.89 132.00 129.40 2ekx h PRO 88 Ca -0.11 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2ekx h PRO 88 Cb 0.81 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2ekx h PRO 88 CO 0.17 1.15 0.19 0.87 -0.23 0.00 0.00 178.00 180.16 2ekx h LYS 89 N 0.76 0.00 0.07 0.86 1.57 -1.96 -1.34 116.57 116.53 2ekx h LYS 89 Ca 0.06 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.61 2ekx h LYS 89 Cb 0.98 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2ekx h LYS 89 CO 0.10 0.00 -1.23 1.25 -0.57 0.00 0.00 179.45 179.00 2ekx h LEU 90 N 0.00 0.24 -0.78 2.94 6.46 -1.30 -3.36 115.31 119.51 2ekx h LEU 90 Ca 0.00 -0.79 0.18 0.00 -0.12 0.00 0.00 57.88 57.16 2ekx h LEU 90 Cb 0.38 -0.08 -0.13 0.00 -0.73 0.00 0.00 40.66 40.11 2ekx h LEU 90 CO 0.00 1.52 0.09 0.40 -0.62 0.00 0.00 178.44 179.83 2ekx h ILE 91 N -0.55 0.37 -0.36 4.05 1.08 -1.21 -0.01 117.51 120.88 2ekx h ILE 91 Ca -0.28 -0.05 0.08 0.00 -0.39 0.00 0.00 64.86 64.21 2ekx h ILE 91 Cb 1.56 0.20 -0.08 0.00 -3.07 0.00 0.00 36.82 35.43 2ekx h ILE 91 CO -0.02 0.03 -0.16 -0.74 -0.69 0.00 0.00 178.15 176.57 2ekx h HIS 92 N 0.16 -0.39 0.01 1.37 2.76 -1.69 0.13 115.15 117.50 2ekx h HIS 92 Ca 0.44 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.65 2ekx h HIS 92 Cb 0.80 0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.99 2ekx h HIS 92 CO -0.36 -0.24 -0.01 -0.92 -1.30 0.00 0.00 177.93 175.10 2ekx h TYR 93 N -0.09 -0.04 -0.68 5.26 3.20 -1.16 -2.94 116.97 120.51 2ekx h TYR 93 Ca 0.18 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.12 2ekx h TYR 93 Cb 0.37 0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.56 2ekx h TYR 93 CO -0.38 -0.02 -0.57 0.45 -1.64 0.00 0.00 178.16 176.00 2ekx h HIS 94 N -0.03 -1.79 -0.86 -3.82 3.86 -1.36 0.40 115.15 111.55 2ekx h HIS 94 Ca -0.00 0.10 0.33 0.00 -1.16 0.00 0.00 60.37 59.64 2ekx h HIS 94 Cb 0.03 0.87 -0.12 0.00 1.06 0.00 0.00 27.41 29.25 2ekx h HIS 94 CO -0.09 -0.43 0.51 0.94 0.86 0.00 0.00 177.93 179.72 2ekx n GLN 95 N -5.30 -0.04 -0.09 2.45 0.00 0.02 0.41 117.38 114.83 2ekx n GLN 95 Ca -0.01 0.98 -0.20 0.00 -0.00 0.00 0.00 57.00 57.77 2ekx n GLN 95 Cb 0.30 -1.83 -0.12 0.00 0.00 0.00 0.00 30.24 28.59 2ekx n GLN 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2ekx h HIS 96 N 0.00 0.02 -2.24 3.69 3.86 -0.17 -3.44 115.15 116.87 2ekx h HIS 96 Ca 0.64 -0.01 -0.27 0.00 -1.16 0.00 0.00 60.37 59.57 2ekx h HIS 96 Cb 1.86 -0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.99 2ekx h HIS 96 CO -0.01 1.38 -0.58 -0.80 0.86 0.00 0.00 177.93 178.78 2ekx s ASN 97 N -6.71 1.09 1.09 2.45 0.01 0.16 -5.11 114.94 107.93 2ekx s ASN 97 Ca -0.26 -0.21 -0.17 0.00 -0.71 0.00 0.00 52.86 51.51 2ekx s ASN 97 Cb 0.04 0.64 0.11 0.00 0.41 0.00 0.00 41.25 42.45 2ekx s ASN 97 CO 0.62 -0.33 0.21 -1.54 -1.51 0.00 0.00 177.10 174.55 2ekx n SER 98 N 5.33 -2.20 -0.10 -1.22 3.41 -1.06 -3.87 113.62 113.91 2ekx n SER 98 Ca -0.04 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.42 2ekx n SER 98 Cb 0.49 -1.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.35 2ekx n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ekx n ALA 99 N -4.32 0.93 -2.97 7.33 0.00 -1.26 -4.93 120.51 115.28 2ekx n ALA 99 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2ekx n ALA 99 Cb 0.59 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2ekx n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ekx n GLY 100 N 1.43 3.98 0.28 0.00 0.00 -1.26 -5.03 105.19 104.60 2ekx n GLY 100 Ca -0.21 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 2ekx n GLY 100 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ekx h MET 101 N 0.00 -0.42 -4.20 1.61 1.85 -2.02 -3.42 114.93 108.33 2ekx h MET 101 Ca 0.00 0.03 -0.46 0.00 -0.61 0.00 0.00 59.70 58.66 2ekx h MET 101 Cb 0.00 0.10 -0.06 0.00 0.43 0.00 0.00 31.60 32.07 2ekx h MET 101 CO 0.00 -0.28 1.28 -0.89 -0.40 0.00 0.00 176.91 176.62 2ekx n ILE 102 N -5.37 0.00 -1.29 1.77 5.41 -1.26 -4.77 119.36 113.86 2ekx n ILE 102 Ca -0.06 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.31 2ekx n ILE 102 Cb 0.28 -0.39 0.04 0.00 -0.71 0.00 0.00 39.64 38.85 2ekx n ILE 102 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2ekx n THR 103 N 5.67 1.11 -2.16 1.39 5.66 -1.26 -4.56 114.28 120.12 2ekx n THR 103 Ca 0.49 -0.47 -0.42 0.00 -3.05 0.00 0.00 64.05 60.60 2ekx n THR 103 Cb 0.01 -0.39 -0.03 0.00 -1.55 0.00 0.00 70.33 68.37 2ekx n THR 103 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2ekx s ARG 104 N -1.88 3.29 -0.43 1.09 3.52 -1.26 -4.88 118.95 118.41 2ekx s ARG 104 Ca 0.61 1.02 -0.39 0.00 -0.13 0.00 0.00 55.73 56.85 2ekx s ARG 104 Cb -0.41 -4.16 -0.17 0.00 -1.56 0.00 0.00 34.95 28.65 2ekx s ARG 104 CO 0.62 -1.91 1.64 1.28 -0.81 0.00 0.00 175.30 176.12 2ekx n LEU 105 N 10.13 0.80 -0.00 -0.88 4.77 -1.26 -4.86 117.00 125.69 2ekx n LEU 105 Ca 0.19 0.75 -0.00 0.00 -0.03 0.00 0.00 56.01 56.92 2ekx n LEU 105 Cb 0.48 -0.76 -0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2ekx n LEU 105 CO 0.70 -0.68 0.02 -0.09 -1.33 0.00 0.00 177.39 176.01 2ekx h ARG 106 N 6.30 -0.00 -4.79 3.23 9.65 -1.67 -3.42 114.38 123.68 2ekx h ARG 106 Ca -0.20 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.34 2ekx h ARG 106 Cb 1.19 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 29.54 2ekx h ARG 106 CO 0.89 -0.00 -0.76 -1.01 2.80 0.00 0.00 179.97 181.89 2ekx s HIS 107 N -1.12 0.83 0.63 2.20 3.76 -1.25 -4.97 115.29 115.37 2ekx s HIS 107 Ca -0.00 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.37 2ekx s HIS 107 Cb 0.00 -0.49 -0.01 0.00 1.11 0.00 0.00 32.58 33.18 2ekx s HIS 107 CO 0.00 -0.02 1.11 -1.25 -0.85 0.00 0.00 174.74 173.73 2ekx s PRO 108 N -1.22 2.92 -0.00 8.40 0.04 -1.26 -0.02 135.00 143.86 2ekx s PRO 108 Ca -0.04 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 2ekx s PRO 108 Cb -0.08 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 2ekx s PRO 108 CO 0.01 -1.16 0.02 0.08 0.04 0.00 0.00 177.00 175.98 2ekx s VAL 109 N -2.22 0.03 0.00 -0.36 1.01 0.53 -4.67 120.40 114.72 2ekx s VAL 109 Ca 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2ekx s VAL 109 Cb -0.21 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2ekx s VAL 109 CO 0.38 -0.13 0.00 -1.54 0.00 0.00 0.00 175.10 173.82