#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 6.50 -0.04 1.61 1.04 -1.26 -4.96 113.70 116.59 2ekx s SER 2 Ca 0.00 0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.67 2ekx s SER 2 Cb 0.00 -2.35 -0.06 0.00 0.10 0.00 0.00 66.02 63.72 2ekx s SER 2 CO 0.00 -0.57 0.48 -1.28 0.98 0.00 0.00 173.24 172.85 2ekx h SER 3 N 8.32 -0.31 -2.07 7.02 0.87 -2.11 -3.50 113.55 121.76 2ekx h SER 3 Ca -0.26 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2ekx h SER 3 Cb 1.11 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2ekx h SER 3 CO 0.84 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.81 2ekx n GLY 4 N 0.72 2.44 3.77 5.77 0.00 -1.26 -5.13 105.19 111.49 2ekx n GLY 4 Ca -0.05 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 4.81 -0.95 1.61 1.04 -1.26 -4.98 113.70 113.97 2ekx s SER 5 Ca 0.00 1.95 -0.03 0.00 0.48 0.00 0.00 55.95 58.35 2ekx s SER 5 Cb 0.00 -2.54 0.26 0.00 0.10 0.00 0.00 66.02 63.84 2ekx s SER 5 CO 0.00 -1.83 1.02 -0.24 0.98 0.00 0.00 173.24 173.17 2ekx n SER 6 N -2.88 4.94 -1.84 7.02 2.88 -1.26 -4.86 113.62 117.63 2ekx n SER 6 Ca 0.10 -3.23 -0.01 0.00 -1.33 0.00 0.00 58.87 54.40 2ekx n SER 6 Cb 0.52 -1.12 -0.01 0.00 -0.75 0.00 0.00 64.21 62.86 2ekx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ekx n GLY 7 N 1.93 -3.46 0.14 0.46 0.00 -1.26 -4.62 105.19 98.38 2ekx n GLY 7 Ca 0.24 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.46 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 0.36 0.40 0.16 0.99 4.77 -1.26 -0.39 117.00 122.03 2ekx n LEU 8 Ca -0.07 0.63 0.02 0.00 -0.03 0.00 0.00 56.01 56.57 2ekx n LEU 8 Cb 0.10 -0.65 0.27 0.00 -2.33 0.00 0.00 43.42 40.82 2ekx n LEU 8 CO 0.12 -0.77 0.61 -2.24 -1.33 0.00 0.00 177.39 173.78 2ekx h ASP 9 N 0.00 0.00 -0.73 -1.43 3.04 -1.90 -3.19 116.42 112.21 2ekx h ASP 9 Ca 0.00 0.00 0.16 0.00 -3.24 0.00 0.00 57.03 53.95 2ekx h ASP 9 Cb 0.27 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 38.43 2ekx h ASP 9 CO 0.00 0.49 -0.02 -0.78 -2.04 0.00 0.00 179.24 176.89 2ekx h ASP 10 N 0.00 -0.37 -3.77 4.15 3.58 -0.98 -3.41 116.42 115.62 2ekx h ASP 10 Ca -0.00 0.19 -0.45 0.00 0.42 0.00 0.00 57.03 57.18 2ekx h ASP 10 Cb 0.93 0.34 0.17 0.00 1.72 0.00 0.00 39.33 42.50 2ekx h ASP 10 CO 0.06 -0.18 0.16 -0.31 -2.88 0.00 0.00 179.24 176.10 2ekx s TYR 11 N -6.14 1.95 -0.26 0.28 2.02 -1.21 -5.01 117.35 108.99 2ekx s TYR 11 Ca -0.14 1.07 -0.09 0.00 -0.37 0.00 0.00 57.07 57.55 2ekx s TYR 11 Cb 0.22 -3.22 -0.15 0.00 -0.40 0.00 0.00 41.96 38.41 2ekx s TYR 11 CO 0.75 -3.05 -0.23 -0.25 -1.57 0.00 0.00 175.55 171.20 2ekx n ASP 12 N -4.31 1.97 -0.15 2.29 8.00 -1.26 -4.37 116.55 118.72 2ekx n ASP 12 Ca 0.05 0.17 0.20 0.00 0.71 0.00 0.00 54.79 55.93 2ekx n ASP 12 Cb 0.56 -0.69 0.60 0.00 -0.02 0.00 0.00 41.12 41.57 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 -0.60 0.27 -2.82 1.24 5.08 -1.87 -3.27 115.95 113.98 2ekx h TRP 13 Ca -0.62 0.01 -0.57 0.00 1.08 0.00 0.00 58.89 58.78 2ekx h TRP 13 Cb 1.71 -0.08 -0.03 0.00 -3.00 0.00 0.00 29.16 27.76 2ekx h TRP 13 CO -0.02 0.09 1.21 0.12 -1.28 0.00 0.00 178.44 178.56 2ekx s PHE 14 N -5.22 1.97 -0.15 0.12 5.36 -1.26 -1.69 117.98 117.11 2ekx s PHE 14 Ca -0.07 0.62 -0.12 0.00 -0.96 0.00 0.00 56.93 56.41 2ekx s PHE 14 Cb 0.21 -4.16 -0.08 0.00 -0.34 0.00 0.00 43.02 38.65 2ekx s PHE 14 CO 0.76 -2.74 0.03 0.00 -1.46 0.00 0.00 175.22 171.81 2ekx h ALA 15 N 12.14 0.06 0.00 11.12 0.00 -1.41 -3.45 119.26 137.72 2ekx h ALA 15 Ca -0.32 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2ekx h ALA 15 Cb 1.15 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2ekx h ALA 15 CO 1.04 0.41 0.00 0.41 0.00 0.00 0.00 179.25 181.11 2ekx n GLY 16 N 1.61 -0.09 3.54 0.00 0.00 -1.23 -4.93 105.19 104.10 2ekx n GLY 16 Ca -0.12 -2.24 -0.18 0.00 0.00 0.00 0.00 46.02 43.48 2ekx n GLY 16 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ekx n ASN 17 N 0.00 1.12 -4.27 1.61 0.23 -1.26 -3.58 115.26 109.10 2ekx n ASN 17 Ca 0.00 -1.15 -0.27 0.00 -0.53 0.00 0.00 54.58 52.63 2ekx n ASN 17 Cb 0.00 -1.40 -0.14 0.00 -2.08 0.00 0.00 39.78 36.16 2ekx n ASN 17 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2ekx s ILE 18 N 11.32 1.79 0.38 1.53 -4.36 -1.26 -5.03 121.20 125.58 2ekx s ILE 18 Ca 1.03 -1.21 -0.11 0.00 -0.26 0.00 0.00 60.65 60.10 2ekx s ILE 18 Cb -0.32 -1.54 -0.07 0.00 1.25 0.00 0.00 42.46 41.78 2ekx s ILE 18 CO 0.21 0.29 0.75 -0.44 0.24 0.00 0.00 174.94 175.99 2ekx s SER 19 N -1.10 6.58 0.60 4.36 0.01 -1.26 -4.81 113.70 118.08 2ekx s SER 19 Ca 0.09 1.15 0.29 0.00 1.31 0.00 0.00 55.95 58.79 2ekx s SER 19 Cb -0.09 -2.33 1.32 0.00 0.21 0.00 0.00 66.02 65.13 2ekx s SER 19 CO 0.01 -0.34 1.71 -0.09 0.41 0.00 0.00 173.24 174.94 2ekx h ARG 20 N 1.53 0.00 0.11 12.44 2.43 -2.00 0.84 114.38 129.73 2ekx h ARG 20 Ca -0.47 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 2ekx h ARG 20 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2ekx h ARG 20 CO 0.64 0.00 -0.05 0.77 -1.51 0.00 0.00 179.97 179.82 2ekx h SER 21 N 0.00 -0.12 0.62 -3.80 0.02 -2.00 -3.12 113.55 105.15 2ekx h SER 21 Ca 0.31 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2ekx h SER 21 Cb 1.77 0.03 0.01 0.00 0.14 0.00 0.00 62.40 64.34 2ekx h SER 21 CO -0.00 0.45 -0.30 1.56 -1.14 0.00 0.00 176.83 177.40 2ekx h GLN 22 N -0.76 -0.80 -0.57 3.45 7.50 -1.27 -2.49 115.11 120.17 2ekx h GLN 22 Ca -0.01 0.05 0.05 0.00 0.50 0.00 0.00 58.65 59.24 2ekx h GLN 22 Cb 0.56 0.18 -0.07 0.00 0.05 0.00 0.00 27.48 28.20 2ekx h GLN 22 CO 0.02 -0.53 -0.34 -1.13 -1.50 0.00 0.00 178.83 175.35 2ekx n SER 23 N -4.89 -0.60 -0.03 1.46 3.41 -0.36 -0.11 113.62 112.51 2ekx n SER 23 Ca -0.10 1.23 -0.09 0.00 -0.26 0.00 0.00 58.87 59.64 2ekx n SER 23 Cb 0.33 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.30 0.00 4.33 5.08 -1.62 -2.17 114.58 119.90 2ekx h GLU 24 Ca 0.09 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2ekx h GLU 24 Cb 0.23 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2ekx h GLU 24 CO -0.53 -0.20 0.00 0.94 -1.00 0.00 0.00 179.01 178.22 2ekx n GLN 25 N -5.39 0.00 -0.18 2.33 7.27 0.84 -1.78 117.38 120.47 2ekx n GLN 25 Ca -0.02 0.70 -0.05 0.00 0.07 0.00 0.00 57.00 57.70 2ekx n GLN 25 Cb 0.30 -1.41 -0.04 0.00 2.41 0.00 0.00 30.24 31.50 2ekx n GLN 25 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2ekx n LEU 26 N -2.26 -0.46 -0.33 1.69 4.77 0.00 0.41 117.00 120.83 2ekx n LEU 26 Ca 0.00 1.18 0.08 0.00 -0.03 0.00 0.00 56.01 57.25 2ekx n LEU 26 Cb 0.00 -0.31 0.17 0.00 -2.33 0.00 0.00 43.42 40.96 2ekx n LEU 26 CO 0.00 -0.83 0.65 0.18 -1.33 0.00 0.00 177.39 176.06 2ekx n LEU 27 N -3.97 -0.27 0.28 2.23 4.77 -0.83 -0.64 117.00 118.57 2ekx n LEU 27 Ca 0.01 1.60 -0.14 0.00 -0.03 0.00 0.00 56.01 57.45 2ekx n LEU 27 Cb 0.11 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 2ekx n LEU 27 CO -0.07 -1.56 0.45 0.03 -1.33 0.00 0.00 177.39 174.92 2ekx h ARG 28 N 0.00 -0.70 -0.88 3.23 3.08 0.78 -3.02 114.38 116.87 2ekx h ARG 28 Ca 0.48 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.79 2ekx h ARG 28 Cb 0.83 0.16 -0.16 0.00 0.08 0.00 0.00 29.97 30.88 2ekx h ARG 28 CO -0.94 -0.39 -0.05 1.96 -1.07 0.00 0.00 179.97 179.48 2ekx h GLN 29 N -1.04 0.04 0.20 0.04 1.08 0.15 -0.39 115.11 115.19 2ekx h GLN 29 Ca -0.07 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2ekx h GLN 29 Cb 0.63 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 2ekx h GLN 29 CO 0.12 0.03 -0.47 -0.22 -0.95 0.00 0.00 178.83 177.34 2ekx h LYS 30 N 0.04 -0.73 0.00 1.46 1.63 -0.87 -3.46 116.57 114.64 2ekx h LYS 30 Ca 0.48 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 2ekx h LYS 30 Cb 0.89 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 2ekx h LYS 30 CO -0.83 -0.49 0.00 0.41 -3.45 0.00 0.00 179.45 175.09 2ekx n GLY 31 N -1.49 3.15 3.52 5.01 0.00 -0.16 -4.95 105.19 110.27 2ekx n GLY 31 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2ekx n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ekx n LYS 32 N -2.00 0.42 -1.25 1.61 4.76 -1.26 -4.80 118.16 115.64 2ekx n LYS 32 Ca 0.00 -0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 54.90 2ekx n LYS 32 Cb 0.00 -2.37 -0.02 0.00 -1.84 0.00 0.00 35.03 30.80 2ekx n LYS 32 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2ekx n GLU 33 N 8.26 0.00 -1.58 1.97 1.02 -1.26 0.20 120.64 129.25 2ekx n GLU 33 Ca 0.54 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.49 2ekx n GLU 33 Cb 0.27 -0.91 -0.08 0.00 -0.02 0.00 0.00 31.44 30.70 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ekx n GLY 34 N 1.91 1.76 3.74 0.62 0.00 -1.26 -4.26 105.19 107.71 2ekx n GLY 34 Ca 0.15 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 1.24 1.81 -2.22 4.61 0.00 0.13 -0.21 120.51 125.86 2ekx n ALA 35 Ca -0.19 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 2ekx n ALA 35 Cb 0.62 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 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 -1.20 0.89 0.23 0.00 -0.71 -0.21 0.01 117.98 117.00 2ekx s PHE 36 Ca 0.62 -1.22 -0.22 0.00 -1.04 0.00 0.00 56.93 55.06 2ekx s PHE 36 Cb -0.46 -0.46 0.05 0.00 -1.21 0.00 0.00 43.02 40.95 2ekx s PHE 36 CO 0.57 -0.57 0.88 0.00 -1.34 0.00 0.00 175.22 174.76 2ekx s MET 37 N -4.07 1.56 -0.13 1.99 0.23 -0.40 0.32 119.30 118.80 2ekx s MET 37 Ca 0.27 -0.92 -0.04 0.00 -1.03 0.00 0.00 55.69 53.97 2ekx s MET 37 Cb 0.07 0.49 0.06 0.00 -1.53 0.00 0.00 34.83 33.93 2ekx s MET 37 CO 0.04 -0.72 0.22 0.08 -2.03 0.00 0.00 175.02 172.62 2ekx s VAL 38 N -3.10 -0.35 0.29 5.16 1.01 -0.68 -2.86 120.40 119.85 2ekx s VAL 38 Ca 0.14 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.44 2ekx s VAL 38 Cb -0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2ekx s VAL 38 CO 0.06 0.08 0.19 0.00 0.00 0.00 0.00 175.10 175.42 2ekx s ARG 39 N 2.37 2.72 0.04 2.72 1.70 -0.80 -1.35 118.95 126.36 2ekx s ARG 39 Ca 0.03 -1.22 -0.08 0.00 -0.47 0.00 0.00 55.73 53.98 2ekx s ARG 39 Cb -0.13 -2.44 -0.05 0.00 -0.57 0.00 0.00 34.95 31.76 2ekx s ARG 39 CO -0.08 0.28 0.33 1.21 -1.08 0.00 0.00 175.30 175.96 2ekx s ASN 40 N -3.86 6.56 1.09 -2.89 2.47 -1.24 -2.53 114.94 114.55 2ekx s ASN 40 Ca 0.35 0.67 -0.11 0.00 0.42 0.00 0.00 52.86 54.19 2ekx s ASN 40 Cb -0.07 -2.13 0.16 0.00 -1.45 0.00 0.00 41.25 37.76 2ekx s ASN 40 CO 0.24 0.21 0.69 -0.24 -3.72 0.00 0.00 177.10 174.28 2ekx n SER 41 N 0.99 -0.99 -3.45 -4.21 2.88 -1.18 -4.46 113.62 103.20 2ekx n SER 41 Ca -0.09 -1.04 -0.35 0.00 -1.33 0.00 0.00 58.87 56.06 2ekx n SER 41 Cb 0.52 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 2ekx n SER 41 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ekx n SER 42 N -3.87 4.10 -4.42 -3.46 7.64 -1.26 -4.45 113.62 107.90 2ekx n SER 42 Ca 0.09 -2.56 -0.40 0.00 1.01 0.00 0.00 58.87 57.01 2ekx n SER 42 Cb 0.34 -1.22 -0.08 0.00 -1.01 0.00 0.00 64.21 62.24 2ekx n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ekx n GLN 43 N 5.58 -0.76 -0.13 1.43 6.02 -1.26 -4.77 117.38 123.49 2ekx n GLN 43 Ca 0.50 0.13 0.09 0.00 -0.01 0.00 0.00 57.00 57.71 2ekx n GLN 43 Cb 0.29 -4.38 0.15 0.00 1.02 0.00 0.00 30.24 27.31 2ekx n GLN 43 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2ekx n VAL 44 N -4.04 1.86 0.00 5.09 3.14 -1.26 -4.99 118.33 118.12 2ekx n VAL 44 Ca 0.04 -2.06 0.00 0.00 -2.96 0.00 0.00 64.34 59.36 2ekx n VAL 44 Cb 0.48 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 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 -1.15 1.74 3.31 7.55 0.00 -1.26 -4.97 105.19 110.41 2ekx n GLY 45 Ca 0.15 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.22 -4.24 1.61 2.81 -1.26 -4.87 117.12 109.95 2ekx n MET 46 Ca 0.00 -0.33 -0.18 0.00 -1.81 0.00 0.00 57.70 55.38 2ekx n MET 46 Cb 0.00 -1.74 -0.08 0.00 -0.71 0.00 0.00 33.22 30.70 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 -2.28 1.58 -0.07 2.03 1.51 -1.26 -3.11 117.35 115.76 2ekx s TYR 47 Ca 0.56 -1.57 -0.06 0.00 -1.01 0.00 0.00 57.07 54.99 2ekx s TYR 47 Cb -0.14 -0.59 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 2ekx s TYR 47 CO 0.67 -0.90 0.18 0.99 -1.11 0.00 0.00 175.55 175.38 2ekx s THR 48 N -3.44 -0.00 -0.29 -0.71 2.01 -1.05 -0.53 115.64 111.62 2ekx s THR 48 Ca 0.39 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.41 2ekx s THR 48 Cb 0.02 -0.26 0.09 0.00 0.01 0.00 0.00 72.50 72.36 2ekx s THR 48 CO 0.25 0.00 0.03 -0.69 -0.69 0.00 0.00 174.62 173.53 2ekx s VAL 49 N 0.17 1.55 -0.08 3.82 1.01 0.04 -1.90 120.40 125.01 2ekx s VAL 49 Ca -0.01 -1.65 0.02 0.00 0.00 0.00 0.00 61.98 60.34 2ekx s VAL 49 Cb -0.02 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2ekx s VAL 49 CO -0.00 -0.46 -0.11 -0.44 0.00 0.00 0.00 175.10 174.08 2ekx s SER 50 N 1.31 4.24 -0.04 3.32 0.01 -1.13 -1.30 113.70 120.10 2ekx s SER 50 Ca 0.05 -0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 2ekx s SER 50 Cb -0.18 -1.17 0.01 0.00 0.21 0.00 0.00 66.02 64.89 2ekx s SER 50 CO -0.13 0.30 0.11 -1.48 0.41 0.00 0.00 173.24 172.45 2ekx s LEU 51 N -0.43 1.57 0.49 2.44 0.05 -1.22 -1.28 118.68 120.30 2ekx s LEU 51 Ca 0.05 0.21 -0.18 0.00 0.05 0.00 0.00 54.13 54.27 2ekx s LEU 51 Cb -0.12 0.39 -0.09 0.00 -2.05 0.00 0.00 46.19 44.33 2ekx s LEU 51 CO 0.02 -0.05 0.98 0.12 -0.55 0.00 0.00 176.35 176.87 2ekx s PHE 52 N 0.01 3.39 -0.07 3.48 5.36 0.10 -2.59 117.98 127.66 2ekx s PHE 52 Ca -0.00 1.51 -0.31 0.00 -0.96 0.00 0.00 56.93 57.16 2ekx s PHE 52 Cb -0.01 -2.82 0.12 0.00 -0.34 0.00 0.00 43.02 39.96 2ekx s PHE 52 CO 0.00 -0.33 1.05 0.45 -1.46 0.00 0.00 175.22 174.93 2ekx s SER 53 N -2.79 -0.24 -0.10 6.13 0.15 -1.16 -3.61 113.70 112.09 2ekx s SER 53 Ca 0.60 -0.03 -0.08 0.00 0.70 0.00 0.00 55.95 57.13 2ekx s SER 53 Cb -0.10 0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 2ekx s SER 53 CO 0.26 -0.46 0.25 -1.59 1.20 0.00 0.00 173.24 172.90 2ekx s LYS 54 N -2.81 0.29 1.11 5.44 -2.85 -1.26 -0.94 119.74 118.72 2ekx s LYS 54 Ca 0.08 0.38 -0.14 0.00 -1.00 0.00 0.00 55.97 55.29 2ekx s LYS 54 Cb -0.01 0.11 0.25 0.00 -2.06 0.00 0.00 37.83 36.12 2ekx s LYS 54 CO -0.06 -0.05 1.06 0.00 0.10 0.00 0.00 175.35 176.40 2ekx s ALA 55 N 0.28 0.23 -0.97 0.59 0.00 -1.26 -4.91 121.76 115.72 2ekx s ALA 55 Ca -0.01 -0.39 0.24 0.00 0.00 0.00 0.00 51.96 51.80 2ekx s ALA 55 Cb -0.03 -3.12 1.01 0.00 0.00 0.00 0.00 23.12 20.98 2ekx s ALA 55 CO -0.01 -3.42 1.77 1.33 0.00 0.00 0.00 175.76 175.42 2ekx n VAL 56 N -4.61 0.38 -0.07 0.00 0.24 -1.26 -3.39 118.33 109.61 2ekx n VAL 56 Ca 0.05 0.07 -0.07 0.00 -2.04 0.00 0.00 64.34 62.35 2ekx n VAL 56 Cb 0.57 -0.68 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 2ekx n VAL 56 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2ekx n ASN 57 N -1.55 2.17 -4.77 -1.34 3.02 -1.26 -5.00 115.26 106.53 2ekx n ASN 57 Ca 0.06 -0.02 -0.38 0.00 -0.03 0.00 0.00 54.58 54.20 2ekx n ASN 57 Cb 0.29 0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.95 2ekx n ASN 57 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ekx s ASP 58 N -4.80 6.54 -0.16 6.41 2.15 -1.22 -4.99 116.67 120.60 2ekx s ASP 58 Ca -0.10 2.30 -0.12 0.00 0.43 0.00 0.00 52.55 55.05 2ekx s ASP 58 Cb 0.04 -2.61 -0.07 0.00 -0.30 0.00 0.00 42.92 39.99 2ekx s ASP 58 CO 0.47 -0.66 -0.10 0.29 -0.17 0.00 0.00 175.17 175.00 2ekx n LYS 59 N 0.02 0.48 0.11 4.34 4.01 -1.26 -4.58 118.16 121.28 2ekx n LYS 59 Ca 0.05 0.53 -0.05 0.00 -0.51 0.00 0.00 58.31 58.33 2ekx n LYS 59 Cb 0.47 -1.70 -0.02 0.00 -0.51 0.00 0.00 35.03 33.27 2ekx n LYS 59 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2ekx h LYS 60 N -1.00 -0.29 0.00 1.97 1.57 -1.97 -3.50 116.57 113.35 2ekx h LYS 60 Ca -0.08 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2ekx h LYS 60 Cb 0.69 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2ekx h LYS 60 CO -0.05 -0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.05 2ekx n GLY 61 N 0.39 0.57 3.64 3.86 0.00 -1.26 -4.83 105.19 107.55 2ekx n GLY 61 Ca -0.04 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.78 0.00 -0.13 2.61 2.01 -0.11 -4.98 115.64 114.25 2ekx s THR 62 Ca 0.00 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 2ekx s THR 62 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2ekx s THR 62 CO 0.00 0.00 0.58 -0.69 -0.69 0.00 0.00 174.62 173.82 2ekx s VAL 63 N 0.39 5.10 0.49 3.82 1.01 -1.26 -2.96 120.40 126.98 2ekx s VAL 63 Ca 0.01 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.18 2ekx s VAL 63 Cb -0.05 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2ekx s VAL 63 CO -0.06 0.23 0.67 -0.54 0.00 0.00 0.00 175.10 175.41 2ekx s LYS 64 N 1.12 2.68 -0.17 2.72 3.01 -1.07 -5.01 119.74 123.01 2ekx s LYS 64 Ca 0.29 -1.02 -0.09 0.00 -1.01 0.00 0.00 55.97 54.14 2ekx s LYS 64 Cb -0.16 -2.62 0.06 0.00 -1.01 0.00 0.00 37.83 34.10 2ekx s LYS 64 CO 0.12 -0.50 0.41 -3.38 0.51 0.00 0.00 175.35 172.51 2ekx s HIS 65 N -2.56 -0.61 -0.27 3.18 -3.43 -1.26 -3.45 115.29 106.89 2ekx s HIS 65 Ca 0.56 1.30 0.00 0.00 -0.80 0.00 0.00 55.06 56.12 2ekx s HIS 65 Cb -0.10 0.27 0.08 0.00 -1.43 0.00 0.00 32.58 31.40 2ekx s HIS 65 CO 0.36 -0.35 0.03 0.71 -2.00 0.00 0.00 174.74 173.48 2ekx s TYR 66 N 1.45 2.26 -0.43 0.38 2.02 -0.42 -4.99 117.35 117.62 2ekx s TYR 66 Ca -0.09 -1.88 -0.28 0.00 -0.37 0.00 0.00 57.07 54.45 2ekx s TYR 66 Cb -0.09 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2ekx s TYR 66 CO -0.13 -0.82 1.85 -1.01 -1.57 0.00 0.00 175.55 173.87 2ekx s HIS 67 N 1.43 1.72 -0.92 2.71 3.76 -1.26 -0.78 115.29 121.95 2ekx s HIS 67 Ca 0.03 0.74 -0.31 0.00 -0.15 0.00 0.00 55.06 55.36 2ekx s HIS 67 Cb -0.18 -4.08 -0.20 0.00 1.11 0.00 0.00 32.58 29.22 2ekx s HIS 67 CO -0.13 -2.71 2.64 0.28 -0.85 0.00 0.00 174.74 173.97 2ekx n VAL 68 N 7.38 -0.01 -0.83 -0.90 0.31 0.31 -4.86 118.33 119.74 2ekx n VAL 68 Ca 0.23 -0.07 -0.30 0.00 -0.01 0.00 0.00 64.34 64.19 2ekx n VAL 68 Cb 0.49 -0.71 0.17 0.00 -0.91 0.00 0.00 33.84 32.88 2ekx n VAL 68 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2ekx s HIS 69 N 9.07 1.81 -0.03 3.52 3.76 -0.85 -4.11 115.29 128.46 2ekx s HIS 69 Ca 1.31 1.50 0.01 0.00 -0.15 0.00 0.00 55.06 57.74 2ekx s HIS 69 Cb -1.18 -3.21 0.01 0.00 1.11 0.00 0.00 32.58 29.32 2ekx s HIS 69 CO 0.48 -2.87 -0.05 0.99 -0.85 0.00 0.00 174.74 172.44 2ekx s THR 70 N -2.69 0.47 0.62 1.30 2.01 -1.25 -2.95 115.64 113.15 2ekx s THR 70 Ca 0.66 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.50 2ekx s THR 70 Cb -0.22 -0.47 0.06 0.00 0.01 0.00 0.00 72.50 71.89 2ekx s THR 70 CO 0.59 0.18 0.87 0.21 -0.69 0.00 0.00 174.62 175.78 2ekx s ASN 71 N 0.50 4.96 0.45 3.53 2.47 0.02 -4.83 114.94 122.03 2ekx s ASN 71 Ca -0.06 -0.06 0.17 0.00 0.42 0.00 0.00 52.86 53.33 2ekx s ASN 71 Cb -0.10 -0.65 1.11 0.00 -1.45 0.00 0.00 41.25 40.16 2ekx s ASN 71 CO -0.00 -1.40 1.95 0.00 -3.72 0.00 0.00 177.10 173.92 2ekx h ALA 72 N -0.18 2.17 -0.76 1.71 0.00 -2.02 0.57 119.26 120.74 2ekx h ALA 72 Ca -0.41 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.06 2ekx h ALA 72 Cb 1.29 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 2ekx h ALA 72 CO 0.50 -0.34 0.56 0.39 0.00 0.00 0.00 179.25 180.36 2ekx n GLU 73 N -4.46 2.08 -3.89 0.00 1.02 -1.26 -4.87 120.64 109.26 2ekx n GLU 73 Ca 0.12 -2.38 -0.26 0.00 -0.02 0.00 0.00 57.16 54.63 2ekx n GLU 73 Cb 0.51 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 -0.61 -1.41 -4.62 1.62 4.13 0.19 -4.94 115.26 109.62 2ekx n ASN 74 Ca 0.47 -0.92 -0.37 0.00 1.68 0.00 0.00 54.58 55.44 2ekx n ASN 74 Cb 1.12 -3.46 -0.10 0.00 -1.54 0.00 0.00 39.78 35.80 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ekx s LYS 75 N -6.40 4.00 0.07 3.52 1.02 -1.24 -4.80 119.74 115.91 2ekx s LYS 75 Ca 0.15 -0.30 -0.19 0.00 0.02 0.00 0.00 55.97 55.65 2ekx s LYS 75 Cb -0.08 -3.57 -0.07 0.00 -0.52 0.00 0.00 37.83 33.60 2ekx s LYS 75 CO 0.86 -0.04 0.57 -0.51 -0.92 0.00 0.00 175.35 175.30 2ekx s LEU 76 N 1.35 4.52 -0.06 3.17 1.43 -0.92 -0.80 118.68 127.36 2ekx s LEU 76 Ca 0.07 1.25 -0.31 0.00 -1.03 0.00 0.00 54.13 54.11 2ekx s LEU 76 Cb -0.15 -2.90 0.12 0.00 0.03 0.00 0.00 46.19 43.28 2ekx s LEU 76 CO 0.07 0.27 1.10 -0.72 0.23 0.00 0.00 176.35 177.30 2ekx s TYR 77 N -1.12 -0.18 -0.06 0.29 1.13 -1.15 -2.01 117.35 114.24 2ekx s TYR 77 Ca 0.29 0.06 0.10 0.00 -1.41 0.00 0.00 57.07 56.11 2ekx s TYR 77 Cb -0.19 0.54 -0.14 0.00 -1.10 0.00 0.00 41.96 41.07 2ekx s TYR 77 CO 0.19 -0.40 0.12 1.28 -2.51 0.00 0.00 175.55 174.23 2ekx n LEU 78 N -0.26 0.00 -3.81 -3.49 4.77 -1.26 -2.00 117.00 110.96 2ekx n LEU 78 Ca -0.05 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.75 2ekx n LEU 78 Cb 0.60 0.15 -0.17 0.00 -2.33 0.00 0.00 43.42 41.67 2ekx n LEU 78 CO 0.11 0.15 -0.38 0.00 -1.33 0.00 0.00 177.39 175.94 2ekx s ALA 79 N -2.46 0.40 0.13 -1.18 0.00 -1.26 -4.96 121.76 112.42 2ekx s ALA 79 Ca -0.05 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 2ekx s ALA 79 Cb 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 2ekx s ALA 79 CO 0.43 -0.15 1.43 0.93 0.00 0.00 0.00 175.76 178.41 2ekx h GLU 80 N 7.48 -0.01 -1.10 0.00 3.07 -1.97 0.70 114.58 122.75 2ekx h GLU 80 Ca -0.36 0.00 0.38 0.00 -0.50 0.00 0.00 59.36 58.87 2ekx h GLU 80 Cb 1.13 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.94 2ekx h GLU 80 CO 0.42 -0.00 0.72 0.09 -1.40 0.00 0.00 179.01 178.83 2ekx n ASN 81 N -4.80 0.15 -4.69 1.42 4.13 -1.26 -4.19 115.26 106.02 2ekx n ASN 81 Ca 0.01 1.06 -0.28 0.00 1.68 0.00 0.00 54.58 57.06 2ekx n ASN 81 Cb 0.21 -0.52 -0.07 0.00 -1.54 0.00 0.00 39.78 37.85 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 -4.85 2.94 -0.17 3.10 1.51 0.24 -5.13 117.35 114.99 2ekx s TYR 82 Ca -0.06 -0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 55.76 2ekx s TYR 82 Cb 0.24 -1.45 0.05 0.00 -0.11 0.00 0.00 41.96 40.68 2ekx s TYR 82 CO 0.64 0.50 0.47 0.00 -1.11 0.00 0.00 175.55 176.05 2ekx s PHE 84 N 0.22 1.11 -0.15 0.00 0.40 -0.85 -5.04 117.98 113.66 2ekx s PHE 84 Ca -0.00 -1.33 0.02 0.00 -0.60 0.00 0.00 56.93 55.02 2ekx s PHE 84 Cb -0.03 -0.56 0.04 0.00 0.51 0.00 0.00 43.02 42.98 2ekx s PHE 84 CO 0.01 -0.59 0.98 -0.25 0.70 0.00 0.00 175.22 176.07 2ekx n ASP 85 N -0.24 2.02 -3.59 1.36 8.00 -1.26 -2.17 116.55 120.67 2ekx n ASP 85 Ca -0.00 -1.89 -0.11 0.00 0.71 0.00 0.00 54.79 53.50 2ekx n ASP 85 Cb 0.65 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 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 -0.90 -0.33 -0.01 -2.24 0.01 -1.26 -4.85 113.70 104.13 2ekx s SER 86 Ca 0.03 -0.17 -0.23 0.00 1.31 0.00 0.00 55.95 56.90 2ekx s SER 86 Cb 0.02 0.49 -0.14 0.00 0.21 0.00 0.00 66.02 66.60 2ekx s SER 86 CO 0.02 -0.84 1.01 0.40 0.41 0.00 0.00 173.24 174.24 2ekx h ILE 87 N 2.41 0.29 0.00 1.44 1.08 -1.96 -3.06 117.51 117.71 2ekx h ILE 87 Ca -0.33 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 2ekx h ILE 87 Cb 1.26 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 2ekx h ILE 87 CO 0.44 0.06 0.00 -0.81 -0.69 0.00 0.00 178.15 177.15 2ekx n PRO 88 N -5.22 0.48 0.03 2.37 -0.04 -1.26 -2.06 135.00 129.30 2ekx n PRO 88 Ca -0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.45 2ekx n PRO 88 Cb 0.29 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 2ekx n PRO 88 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ekx n LYS 89 N -1.00 0.64 -0.09 0.54 5.02 -1.17 -3.98 118.16 118.12 2ekx n LYS 89 Ca 0.12 -0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 2ekx n LYS 89 Cb 0.05 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 33.28 2ekx n LYS 89 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ekx h LEU 90 N 0.00 0.04 -0.45 -0.35 6.46 -1.32 -3.39 115.31 116.30 2ekx h LEU 90 Ca -0.05 -0.58 0.09 0.00 -0.12 0.00 0.00 57.88 57.22 2ekx h LEU 90 Cb 1.14 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.98 2ekx h LEU 90 CO 0.01 1.50 -0.04 0.40 -0.62 0.00 0.00 178.44 179.68 2ekx h ILE 91 N -0.90 0.61 -0.94 4.05 1.08 -1.76 -1.06 117.51 118.60 2ekx h ILE 91 Ca -0.34 -0.02 0.37 0.00 -0.39 0.00 0.00 64.86 64.48 2ekx h ILE 91 Cb 1.36 0.54 -0.14 0.00 -3.07 0.00 0.00 36.82 35.51 2ekx h ILE 91 CO -0.17 0.01 0.55 1.57 -0.69 0.00 0.00 178.15 179.42 2ekx n HIS 92 N -5.26 0.85 0.00 1.37 -0.00 -1.26 -0.07 115.22 110.85 2ekx n HIS 92 Ca 0.04 0.86 0.00 0.00 0.46 0.00 0.00 57.72 59.08 2ekx n HIS 92 Cb 0.24 -1.27 0.00 0.00 -0.12 0.00 0.00 29.99 28.84 2ekx n HIS 92 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2ekx n TYR 93 N -4.72 0.00 -0.29 1.57 4.02 -0.41 -3.39 117.16 113.95 2ekx n TYR 93 Ca 0.32 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.16 2ekx n TYR 93 Cb 1.16 -0.40 -0.01 0.00 -0.02 0.00 0.00 39.34 40.07 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 0.00 -1.23 -0.67 -0.72 3.86 -1.22 -1.29 115.15 113.88 2ekx h HIS 94 Ca 0.00 0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.36 2ekx h HIS 94 Cb 0.00 0.65 -0.08 0.00 1.06 0.00 0.00 27.41 29.04 2ekx h HIS 94 CO 0.06 -0.40 -0.39 0.94 0.86 0.00 0.00 177.93 179.00 2ekx n GLN 95 N -5.41 -0.29 -0.33 2.45 0.00 0.90 0.10 117.38 114.79 2ekx n GLN 95 Ca 0.05 1.20 0.06 0.00 -0.00 0.00 0.00 57.00 58.30 2ekx n GLN 95 Cb 0.36 -1.77 0.21 0.00 0.00 0.00 0.00 30.24 29.04 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 1.02 -1.47 3.69 3.86 -1.28 -3.43 115.15 117.55 2ekx h HIS 96 Ca 0.11 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.45 2ekx h HIS 96 Cb 0.27 -0.32 -0.27 0.00 1.06 0.00 0.00 27.41 28.16 2ekx h HIS 96 CO -0.87 0.40 0.58 0.54 0.86 0.00 0.00 177.93 179.44 2ekx s ASN 97 N -5.64 -0.34 0.07 2.45 2.20 0.29 -5.08 114.94 108.88 2ekx s ASN 97 Ca -0.12 0.58 -0.37 0.00 -0.94 0.00 0.00 52.86 52.01 2ekx s ASN 97 Cb 0.21 0.56 -0.16 0.00 -2.00 0.00 0.00 41.25 39.86 2ekx s ASN 97 CO 0.80 -0.17 1.38 -1.54 -2.94 0.00 0.00 177.10 174.63 2ekx n SER 98 N 1.66 1.78 0.02 3.54 3.41 -1.18 -3.57 113.62 119.28 2ekx n SER 98 Ca -0.11 1.11 -0.07 0.00 -0.26 0.00 0.00 58.87 59.54 2ekx n SER 98 Cb 0.57 -1.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.26 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 4.79 -0.16 -0.76 7.33 0.00 -1.84 -3.48 119.26 125.15 2ekx h ALA 99 Ca -0.47 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.45 2ekx h ALA 99 Cb 1.33 0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.93 2ekx h ALA 99 CO 0.79 -0.18 0.32 0.20 0.00 0.00 0.00 179.25 180.38 2ekx s GLY 100 N -3.48 -0.05 -1.04 0.00 0.00 -1.26 -4.95 107.32 96.54 2ekx s GLY 100 Ca -0.09 3.23 -0.02 0.00 0.00 0.00 0.00 44.72 47.84 2ekx s GLY 100 CO 0.32 3.28 0.09 1.03 0.00 0.00 0.00 173.10 177.82 2ekx n MET 101 N 4.84 -2.52 -3.81 2.90 2.81 -1.26 -4.91 117.12 115.17 2ekx n MET 101 Ca -0.08 0.55 -0.26 0.00 -1.81 0.00 0.00 57.70 56.10 2ekx n MET 101 Cb 0.53 -5.17 -0.17 0.00 -0.71 0.00 0.00 33.22 27.71 2ekx n MET 101 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2ekx s ILE 102 N -2.64 0.71 0.13 2.02 -1.09 -1.26 -5.11 121.20 113.96 2ekx s ILE 102 Ca 0.07 -0.33 -0.27 0.00 -2.23 0.00 0.00 60.65 57.89 2ekx s ILE 102 Cb -0.04 -0.95 -0.15 0.00 -1.58 0.00 0.00 42.46 39.74 2ekx s ILE 102 CO 0.09 0.11 0.57 0.41 -1.23 0.00 0.00 174.94 174.89 2ekx n THR 103 N 5.02 1.31 -2.35 2.92 -1.04 -1.26 -4.45 114.28 114.42 2ekx n THR 103 Ca -0.10 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.05 61.18 2ekx n THR 103 Cb 0.49 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.97 2ekx n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ekx s ARG 104 N -0.65 3.11 -0.29 -2.82 1.70 -1.26 -4.81 118.95 113.92 2ekx s ARG 104 Ca 0.62 0.31 -0.41 0.00 -0.47 0.00 0.00 55.73 55.77 2ekx s ARG 104 Cb -0.88 -4.21 -0.16 0.00 -0.57 0.00 0.00 34.95 29.13 2ekx s ARG 104 CO 0.49 -2.19 1.70 1.28 -1.08 0.00 0.00 175.30 175.50 2ekx n LEU 105 N 10.30 2.17 -0.05 -1.89 4.77 -1.26 -4.88 117.00 126.15 2ekx n LEU 105 Ca 0.12 1.09 -0.03 0.00 -0.03 0.00 0.00 56.01 57.16 2ekx n LEU 105 Cb 0.50 -1.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.47 2ekx n LEU 105 CO 0.71 -0.53 -0.23 0.54 -1.33 0.00 0.00 177.39 176.54 2ekx n ARG 106 N 5.02 0.30 -4.17 3.23 1.74 0.70 -4.78 116.66 118.70 2ekx n ARG 106 Ca 0.27 0.43 -0.16 0.00 -0.77 0.00 0.00 57.85 57.62 2ekx n ARG 106 Cb 0.11 -1.37 -0.13 0.00 -1.02 0.00 0.00 32.46 30.05 2ekx n ARG 106 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2ekx s HIS 107 N -1.83 0.82 0.67 -1.55 3.76 -1.24 -4.99 115.29 110.94 2ekx s HIS 107 Ca -0.10 -0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 54.29 2ekx s HIS 107 Cb 0.01 -0.49 0.01 0.00 1.11 0.00 0.00 32.58 33.22 2ekx s HIS 107 CO 0.15 -0.02 1.11 -1.25 -0.85 0.00 0.00 174.74 173.87 2ekx s PRO 108 N -1.18 2.74 -0.09 8.40 0.04 -1.26 -1.04 135.00 142.60 2ekx s PRO 108 Ca -0.04 1.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 2ekx s PRO 108 Cb -0.08 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.57 2ekx s PRO 108 CO 0.01 -1.30 0.20 0.08 0.04 0.00 0.00 177.00 176.03 2ekx s VAL 109 N -2.40 -0.17 -2.73 -0.36 1.01 0.15 -4.73 120.40 111.17 2ekx s VAL 109 Ca 0.66 0.24 0.26 0.00 0.00 0.00 0.00 61.98 63.14 2ekx s VAL 109 Cb -0.20 -0.33 0.39 0.00 0.00 0.00 0.00 36.38 36.24 2ekx s VAL 109 CO 0.43 0.10 1.53 -1.54 0.00 0.00 0.00 175.10 175.62