#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 0.57 0.74 1.61 1.04 -1.26 -5.14 113.70 111.26 2ekx s SER 2 Ca 0.00 -1.09 -0.16 0.00 0.48 0.00 0.00 55.95 55.18 2ekx s SER 2 Cb 0.00 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 2ekx s SER 2 CO 0.00 -0.63 0.35 -0.24 0.98 0.00 0.00 173.24 173.71 2ekx n SER 3 N -0.01 -1.87 0.00 7.02 2.88 -1.26 -5.00 113.62 115.37 2ekx n SER 3 Ca -0.10 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2ekx n SER 3 Cb 0.62 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2ekx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ekx n GLY 4 N 1.87 0.33 3.21 0.46 0.00 -1.26 -5.14 105.19 104.65 2ekx n GLY 4 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2ekx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ekx s SER 5 N -0.10 -0.09 -0.29 1.61 0.15 -1.26 -5.16 113.70 108.56 2ekx s SER 5 Ca 0.00 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.38 2ekx s SER 5 Cb 0.00 0.30 0.10 0.00 -1.71 0.00 0.00 66.02 64.71 2ekx s SER 5 CO 0.00 -0.50 0.68 -0.44 1.20 0.00 0.00 173.24 174.18 2ekx s SER 6 N -1.69 -1.02 0.12 5.45 0.01 -1.26 -5.17 113.70 110.13 2ekx s SER 6 Ca -0.10 1.52 -0.25 0.00 1.31 0.00 0.00 55.95 58.43 2ekx s SER 6 Cb -0.04 1.77 0.07 0.00 0.21 0.00 0.00 66.02 68.04 2ekx s SER 6 CO 0.00 -0.23 0.82 -0.83 0.41 0.00 0.00 173.24 173.41 2ekx s GLY 7 N 2.17 -0.38 0.09 3.44 0.00 -1.26 -5.05 107.32 106.33 2ekx s GLY 7 Ca -0.08 0.46 -0.08 0.00 0.00 0.00 0.00 44.72 45.02 2ekx s GLY 7 CO -0.19 0.14 1.19 1.41 0.00 0.00 0.00 173.10 175.65 2ekx h LEU 8 N 2.00 0.65 -0.66 0.66 3.38 -2.01 -3.31 115.31 116.01 2ekx h LEU 8 Ca -0.25 -0.59 0.13 0.00 0.09 0.00 0.00 57.88 57.26 2ekx h LEU 8 Cb 1.26 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.68 2ekx h LEU 8 CO 0.30 1.41 -0.17 -0.78 0.09 0.00 0.00 178.44 179.29 2ekx h ASP 9 N 0.21 -0.63 -0.81 -0.43 3.58 -1.96 -1.95 116.42 114.43 2ekx h ASP 9 Ca -0.14 0.20 0.07 0.00 0.42 0.00 0.00 57.03 57.59 2ekx h ASP 9 Cb 1.81 0.41 -0.10 0.00 1.72 0.00 0.00 39.33 43.17 2ekx h ASP 9 CO 0.20 -0.22 -0.48 0.47 -2.88 0.00 0.00 179.24 176.34 2ekx n ASP 10 N -5.45 -0.85 -4.10 2.28 9.92 -1.25 -4.54 116.55 112.57 2ekx n ASP 10 Ca 0.08 1.57 -0.36 0.00 -0.53 0.00 0.00 54.79 55.55 2ekx n ASP 10 Cb 0.34 -0.26 0.08 0.00 -0.64 0.00 0.00 41.12 40.64 2ekx n ASP 10 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2ekx n TYR 11 N -4.85 -1.79 -0.09 1.24 4.01 -0.74 -4.98 117.16 109.96 2ekx n TYR 11 Ca 0.02 0.42 -0.10 0.00 -0.16 0.00 0.00 57.90 58.08 2ekx n TYR 11 Cb 0.21 -1.46 -0.03 0.00 -0.31 0.00 0.00 39.34 37.75 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 1.81 1.93 -0.39 7.72 8.00 -1.26 -4.49 116.55 129.86 2ekx n ASP 12 Ca -0.01 0.33 0.32 0.00 0.71 0.00 0.00 54.79 56.14 2ekx n ASP 12 Cb 0.69 -0.74 0.59 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.98 0.65 -1.45 1.24 5.08 -1.85 -3.37 115.95 115.26 2ekx h TRP 13 Ca -0.02 0.03 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 2ekx h TRP 13 Cb 1.00 -0.16 -0.00 0.00 -3.00 0.00 0.00 29.16 27.00 2ekx h TRP 13 CO -0.41 -0.20 1.64 0.34 -1.28 0.00 0.00 178.44 178.53 2ekx n PHE 14 N -4.82 1.37 0.03 0.12 7.35 -1.26 -2.85 117.46 117.39 2ekx n PHE 14 Ca 0.35 0.14 -0.19 0.00 -0.76 0.00 0.00 57.45 56.99 2ekx n PHE 14 Cb 1.27 -2.61 -0.12 0.00 0.35 0.00 0.00 39.48 38.36 2ekx n PHE 14 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ekx h ALA 15 N 18.53 0.05 0.00 3.13 0.00 -0.92 -3.47 119.26 136.57 2ekx h ALA 15 Ca -0.23 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2ekx h ALA 15 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2ekx h ALA 15 CO 1.17 0.43 0.00 0.41 0.00 0.00 0.00 179.25 181.26 2ekx n GLY 16 N 1.20 0.95 3.49 0.00 0.00 -0.84 -4.85 105.19 105.14 2ekx n GLY 16 Ca -0.11 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 6.24 0.34 1.61 4.22 -1.26 -0.55 114.94 121.54 2ekx s ASN 17 Ca 0.00 -0.61 0.04 0.00 -2.14 0.00 0.00 52.86 50.15 2ekx s ASN 17 Cb 0.00 -2.26 -0.06 0.00 1.28 0.00 0.00 41.25 40.21 2ekx s ASN 17 CO 0.00 -0.68 0.07 0.27 -2.04 0.00 0.00 177.10 174.72 2ekx s ILE 18 N 2.40 1.09 0.49 0.54 -4.36 -1.26 -5.03 121.20 115.07 2ekx s ILE 18 Ca 0.16 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.62 2ekx s ILE 18 Cb -0.16 -2.71 0.02 0.00 1.25 0.00 0.00 42.46 40.86 2ekx s ILE 18 CO 0.15 0.00 0.49 -0.44 0.24 0.00 0.00 174.94 175.38 2ekx s SER 19 N -3.51 4.97 0.56 4.36 0.01 -1.26 -4.92 113.70 113.91 2ekx s SER 19 Ca 0.34 -0.91 0.35 0.00 1.31 0.00 0.00 55.95 57.04 2ekx s SER 19 Cb 0.08 -0.06 1.45 0.00 0.21 0.00 0.00 66.02 67.69 2ekx s SER 19 CO 0.15 -0.96 2.02 0.03 0.41 0.00 0.00 173.24 174.88 2ekx h ARG 20 N 0.72 0.00 0.08 12.44 3.08 -2.02 -1.55 114.38 127.13 2ekx h ARG 20 Ca -0.37 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.33 2ekx h ARG 20 Cb 1.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 2ekx h ARG 20 CO 0.53 0.00 -1.97 -1.13 -1.07 0.00 0.00 179.97 176.33 2ekx n SER 21 N -3.09 1.76 0.18 7.04 3.41 -1.26 -4.26 113.62 117.40 2ekx n SER 21 Ca 0.00 0.23 -0.11 0.00 -0.26 0.00 0.00 58.87 58.74 2ekx n SER 21 Cb 0.29 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 2ekx n SER 21 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2ekx h GLN 22 N 0.05 -0.49 -0.75 4.33 7.50 -1.92 0.45 115.11 124.27 2ekx h GLN 22 Ca -0.40 0.03 0.27 0.00 0.50 0.00 0.00 58.65 59.05 2ekx h GLN 22 Cb 2.03 0.11 -0.14 0.00 0.05 0.00 0.00 27.48 29.53 2ekx h GLN 22 CO 0.07 -0.22 0.24 -1.13 -1.50 0.00 0.00 178.83 176.30 2ekx n SER 23 N -5.13 0.12 -0.07 1.46 3.41 -0.60 -0.68 113.62 112.14 2ekx n SER 23 Ca -0.08 1.26 -0.09 0.00 -0.26 0.00 0.00 58.87 59.70 2ekx n SER 23 Cb 0.26 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.00 -0.37 4.33 5.08 -1.73 -3.31 114.58 118.58 2ekx h GLU 24 Ca 0.56 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.96 2ekx h GLU 24 Cb 1.38 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 2ekx h GLU 24 CO -0.63 0.45 -0.26 1.96 -1.00 0.00 0.00 179.01 179.53 2ekx h GLN 25 N -1.00 -0.05 -0.53 2.33 1.08 0.14 -1.15 115.11 115.93 2ekx h GLN 25 Ca -0.08 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.18 2ekx h GLN 25 Cb 0.65 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.02 2ekx h GLN 25 CO -0.05 -0.03 -0.44 -0.07 -0.95 0.00 0.00 178.83 177.29 2ekx h LEU 26 N -0.05 -1.55 -0.96 1.46 4.07 -1.11 0.16 115.31 117.32 2ekx h LEU 26 Ca 0.06 0.22 0.18 0.00 0.08 0.00 0.00 57.88 58.42 2ekx h LEU 26 Cb 0.21 0.66 -0.18 0.00 1.08 0.00 0.00 40.66 42.43 2ekx h LEU 26 CO -0.37 -0.25 -0.28 -0.07 -1.08 0.00 0.00 178.44 176.39 2ekx h LEU 27 N -0.17 -1.04 -0.07 1.67 3.38 -1.44 0.27 115.31 117.91 2ekx h LEU 27 Ca 0.09 0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 2ekx h LEU 27 Cb 0.39 0.64 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2ekx h LEU 27 CO -0.58 -0.31 0.04 0.03 0.09 0.00 0.00 178.44 177.70 2ekx h ARG 28 N -0.01 0.10 -0.75 1.13 3.08 0.22 -2.98 114.38 115.18 2ekx h ARG 28 Ca 0.43 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.62 2ekx h ARG 28 Cb 0.67 -0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.56 2ekx h ARG 28 CO -0.99 0.16 -0.16 1.96 -1.07 0.00 0.00 179.97 179.87 2ekx h GLN 29 N 0.02 0.01 -0.44 0.04 1.08 0.22 -2.03 115.11 114.01 2ekx h GLN 29 Ca 0.03 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2ekx h GLN 29 Cb 0.09 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 2ekx h GLN 29 CO -0.00 0.01 -0.26 1.17 -0.95 0.00 0.00 178.83 178.79 2ekx n LYS 30 N -5.48 -0.19 -0.07 1.46 3.00 -0.66 -4.85 118.16 111.38 2ekx n LYS 30 Ca 0.11 1.01 0.00 0.00 -0.00 0.00 0.00 58.31 59.43 2ekx n LYS 30 Cb 0.39 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.93 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 -1.11 1.16 2.88 3.14 0.00 -0.76 -5.09 105.19 105.41 2ekx n GLY 31 Ca 0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.33 0.91 -0.38 1.61 -2.85 -1.26 -5.10 119.74 112.34 2ekx s LYS 32 Ca 0.00 -0.10 -0.29 0.00 -1.00 0.00 0.00 55.97 54.58 2ekx s LYS 32 Cb 0.00 -0.96 -0.00 0.00 -2.06 0.00 0.00 37.83 34.81 2ekx s LYS 32 CO 0.00 -0.12 1.56 -1.21 0.10 0.00 0.00 175.35 175.68 2ekx s GLU 33 N 1.12 3.50 0.00 1.78 8.01 -1.26 -2.88 118.70 128.97 2ekx s GLU 33 Ca -0.08 1.14 0.00 0.00 0.01 0.00 0.00 54.97 56.04 2ekx s GLU 33 Cb -0.14 -4.09 0.00 0.00 -4.31 0.00 0.00 34.13 25.59 2ekx s GLU 33 CO -0.01 -1.66 0.00 0.41 0.01 0.00 0.00 175.26 174.01 2ekx n GLY 34 N 5.19 1.46 3.48 -1.39 0.00 -1.19 -4.81 105.19 107.94 2ekx n GLY 34 Ca 0.19 0.00 -0.50 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 n ALA 35 N 0.00 -2.21 -2.30 4.61 0.00 -1.14 -2.03 120.51 117.43 2ekx n ALA 35 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.75 2ekx n ALA 35 Cb 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 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 -0.64 1.48 0.04 0.00 -0.71 -0.60 -0.28 117.98 117.26 2ekx s PHE 36 Ca 0.70 -0.79 -0.27 0.00 -1.04 0.00 0.00 56.93 55.53 2ekx s PHE 36 Cb -0.95 -0.79 0.07 0.00 -1.21 0.00 0.00 43.02 40.15 2ekx s PHE 36 CO 0.56 0.09 0.67 0.00 -1.34 0.00 0.00 175.22 175.20 2ekx s MET 37 N -3.77 1.12 -0.04 1.99 0.23 0.16 -0.22 119.30 118.77 2ekx s MET 37 Ca 0.23 -0.09 0.05 0.00 -1.03 0.00 0.00 55.69 54.85 2ekx s MET 37 Cb 0.03 0.52 -0.01 0.00 -1.53 0.00 0.00 34.83 33.85 2ekx s MET 37 CO 0.05 -0.43 -0.20 0.08 -2.03 0.00 0.00 175.02 172.49 2ekx s VAL 38 N -2.40 1.67 0.44 5.16 1.01 -1.13 -1.38 120.40 123.77 2ekx s VAL 38 Ca -0.05 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2ekx s VAL 38 Cb -0.01 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2ekx s VAL 38 CO -0.01 0.47 0.08 0.00 0.00 0.00 0.00 175.10 175.64 2ekx s ARG 39 N -0.17 2.02 -0.12 2.72 1.70 -0.37 -0.44 118.95 124.29 2ekx s ARG 39 Ca -0.00 -2.25 0.02 0.00 -0.47 0.00 0.00 55.73 53.03 2ekx s ARG 39 Cb -0.11 -0.94 -0.00 0.00 -0.57 0.00 0.00 34.95 33.32 2ekx s ARG 39 CO 0.02 -0.43 -0.21 -0.80 -1.08 0.00 0.00 175.30 172.80 2ekx s ASN 40 N -3.70 3.32 0.65 -2.89 -0.87 0.28 -2.44 114.94 109.29 2ekx s ASN 40 Ca 0.18 -0.52 -0.17 0.00 -1.57 0.00 0.00 52.86 50.77 2ekx s ASN 40 Cb 0.02 -1.47 -0.10 0.00 -0.02 0.00 0.00 41.25 39.68 2ekx s ASN 40 CO 0.11 0.13 0.13 -0.24 -2.57 0.00 0.00 177.10 174.66 2ekx n SER 41 N 3.73 -2.65 0.00 -1.22 2.88 -1.23 -4.78 113.62 110.35 2ekx n SER 41 Ca -0.19 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2ekx n SER 41 Cb 0.52 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 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 1.30 0.00 -2.80 -3.46 7.64 -1.26 -4.19 113.62 110.85 2ekx n SER 42 Ca 0.08 0.78 -0.29 0.00 1.01 0.00 0.00 58.87 60.45 2ekx n SER 42 Cb 0.49 -0.28 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 2ekx n SER 42 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2ekx n GLN 43 N -1.36 3.45 -3.68 1.43 -0.06 -1.26 -5.02 117.38 110.88 2ekx n GLN 43 Ca 0.00 -4.62 -0.15 0.00 -2.00 0.00 0.00 57.00 50.23 2ekx n GLN 43 Cb 0.00 -2.26 -0.08 0.00 -4.06 0.00 0.00 30.24 23.84 2ekx n GLN 43 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2ekx s VAL 44 N -4.95 0.03 -0.15 1.69 1.01 -1.26 -5.04 120.40 111.73 2ekx s VAL 44 Ca 0.48 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.19 2ekx s VAL 44 Cb 0.33 -0.74 0.20 0.00 0.00 0.00 0.00 36.38 36.17 2ekx s VAL 44 CO -0.18 -0.15 1.42 0.61 0.00 0.00 0.00 175.10 176.80 2ekx n GLY 45 N 1.32 2.93 2.70 4.51 0.00 -1.26 -4.36 105.19 111.03 2ekx n GLY 45 Ca -0.20 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 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 0.12 0.84 -4.26 1.61 2.81 -1.26 -5.06 117.12 111.91 2ekx n MET 46 Ca 0.19 -2.32 -0.18 0.00 -1.81 0.00 0.00 57.70 53.58 2ekx n MET 46 Cb 0.81 0.08 -0.13 0.00 -0.71 0.00 0.00 33.22 33.27 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 -1.75 1.06 -0.19 2.03 1.51 -1.26 -3.54 117.35 115.21 2ekx s TYR 47 Ca 0.31 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 2ekx s TYR 47 Cb -0.02 -0.63 0.04 0.00 -0.11 0.00 0.00 41.96 41.23 2ekx s TYR 47 CO 0.20 0.01 -0.13 0.99 -1.11 0.00 0.00 175.55 175.51 2ekx s THR 48 N -0.94 1.81 -0.66 -0.71 2.01 -1.02 -2.65 115.64 113.48 2ekx s THR 48 Ca -0.01 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 60.82 2ekx s THR 48 Cb -0.08 -1.79 0.15 0.00 0.01 0.00 0.00 72.50 70.79 2ekx s THR 48 CO 0.01 0.29 0.66 -0.69 -0.69 0.00 0.00 174.62 174.20 2ekx s VAL 49 N 1.35 5.20 -0.16 3.82 1.01 0.51 -1.24 120.40 130.88 2ekx s VAL 49 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 61.98 60.26 2ekx s VAL 49 Cb -0.15 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2ekx s VAL 49 CO -0.09 -1.02 0.08 -0.44 0.00 0.00 0.00 175.10 173.63 2ekx s SER 50 N 3.21 5.79 0.08 3.32 0.01 -0.48 -1.38 113.70 124.25 2ekx s SER 50 Ca 0.11 0.18 -0.05 0.00 1.31 0.00 0.00 55.95 57.49 2ekx s SER 50 Cb -0.22 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 2ekx s SER 50 CO -0.00 0.24 0.11 -1.48 0.41 0.00 0.00 173.24 172.51 2ekx s LEU 51 N -0.03 1.81 0.06 2.44 0.05 -0.93 -0.66 118.68 121.42 2ekx s LEU 51 Ca 0.07 -0.83 -0.01 0.00 0.05 0.00 0.00 54.13 53.41 2ekx s LEU 51 Cb -0.12 0.69 -0.04 0.00 -2.05 0.00 0.00 46.19 44.67 2ekx s LEU 51 CO 0.01 -0.69 0.22 0.12 -0.55 0.00 0.00 176.35 175.46 2ekx s PHE 52 N -3.90 3.52 -0.26 3.48 5.36 0.62 -1.76 117.98 125.03 2ekx s PHE 52 Ca 0.08 0.29 -0.20 0.00 -0.96 0.00 0.00 56.93 56.14 2ekx s PHE 52 Cb 0.06 -1.79 0.07 0.00 -0.34 0.00 0.00 43.02 41.02 2ekx s PHE 52 CO -0.09 0.58 0.68 0.45 -1.46 0.00 0.00 175.22 175.38 2ekx s SER 53 N -2.44 -0.81 -0.25 6.13 0.15 -1.07 -3.14 113.70 112.26 2ekx s SER 53 Ca 0.35 1.43 -0.03 0.00 0.70 0.00 0.00 55.95 58.40 2ekx s SER 53 Cb -0.13 1.38 0.02 0.00 -1.71 0.00 0.00 66.02 65.58 2ekx s SER 53 CO 0.27 -0.24 -0.03 -0.75 1.20 0.00 0.00 173.24 173.69 2ekx s LYS 54 N 0.94 2.93 0.52 5.44 2.20 -1.26 -1.91 119.74 128.60 2ekx s LYS 54 Ca -0.05 -0.92 -0.08 0.00 -0.36 0.00 0.00 55.97 54.57 2ekx s LYS 54 Cb -0.05 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2ekx s LYS 54 CO -0.08 -0.39 0.87 0.00 -0.36 0.00 0.00 175.35 175.38 2ekx s ALA 55 N 1.37 3.29 0.27 3.13 0.00 -1.26 -4.92 121.76 123.64 2ekx s ALA 55 Ca 0.01 -0.34 0.14 0.00 0.00 0.00 0.00 51.96 51.77 2ekx s ALA 55 Cb -0.17 -2.77 0.94 0.00 0.00 0.00 0.00 23.12 21.13 2ekx s ALA 55 CO -0.03 -0.44 1.17 1.55 0.00 0.00 0.00 175.76 178.01 2ekx n VAL 56 N -2.34 -0.31 -3.66 0.00 3.14 -1.26 -3.87 118.33 110.03 2ekx n VAL 56 Ca 0.03 1.52 -0.18 0.00 -2.96 0.00 0.00 64.34 62.74 2ekx n VAL 56 Cb 0.55 -2.43 -0.16 0.00 -1.06 0.00 0.00 33.84 30.73 2ekx n VAL 56 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2ekx s ASN 57 N -4.69 0.94 0.20 6.55 2.47 -1.26 -5.14 114.94 114.00 2ekx s ASN 57 Ca -0.07 0.21 -0.23 0.00 0.42 0.00 0.00 52.86 53.19 2ekx s ASN 57 Cb 0.25 0.13 0.05 0.00 -1.45 0.00 0.00 41.25 40.23 2ekx s ASN 57 CO 0.58 -0.25 0.73 1.51 -3.72 0.00 0.00 177.10 175.94 2ekx s ASP 58 N 2.25 -0.36 -0.74 -4.21 1.47 -1.25 -5.07 116.67 108.75 2ekx s ASP 58 Ca 0.04 -0.32 -0.24 0.00 1.18 0.00 0.00 52.55 53.21 2ekx s ASP 58 Cb -0.12 0.62 0.06 0.00 -0.34 0.00 0.00 42.92 43.14 2ekx s ASP 58 CO -0.05 -1.10 1.13 -0.75 0.68 0.00 0.00 175.17 175.09 2ekx s LYS 59 N -3.71 3.22 -1.21 2.11 2.47 -1.26 -4.14 119.74 117.22 2ekx s LYS 59 Ca 0.07 -0.72 -0.05 0.00 -1.56 0.00 0.00 55.97 53.72 2ekx s LYS 59 Cb -0.03 -4.37 0.03 0.00 -1.46 0.00 0.00 37.83 32.00 2ekx s LYS 59 CO -0.02 -1.97 0.29 1.63 0.16 0.00 0.00 175.35 175.45 2ekx n LYS 60 N 8.32 -3.08 0.00 4.03 5.02 -1.26 -4.59 118.16 126.60 2ekx n LYS 60 Ca 0.04 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 2ekx n LYS 60 Cb 0.47 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -1.06 -0.71 2.90 0.72 0.00 -1.26 -5.00 105.19 100.78 2ekx n GLY 61 Ca -0.08 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.68 -0.20 -0.20 2.61 2.01 -0.80 -4.98 115.64 112.39 2ekx s THR 62 Ca 0.00 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 2ekx s THR 62 Cb 0.00 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 2ekx s THR 62 CO 0.00 0.12 0.64 -0.69 -0.69 0.00 0.00 174.62 173.99 2ekx s VAL 63 N 1.91 5.01 0.03 3.82 1.01 -1.26 -2.60 120.40 128.32 2ekx s VAL 63 Ca -0.02 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.13 2ekx s VAL 63 Cb -0.12 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2ekx s VAL 63 CO -0.06 0.10 0.22 -0.54 0.00 0.00 0.00 175.10 174.81 2ekx s LYS 64 N 1.99 3.47 -0.07 2.72 1.02 -0.72 -5.00 119.74 123.14 2ekx s LYS 64 Ca 0.29 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.99 2ekx s LYS 64 Cb -0.16 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 2ekx s LYS 64 CO 0.10 0.63 -0.15 -1.01 -0.92 0.00 0.00 175.35 174.00 2ekx s HIS 65 N -1.42 1.70 -0.03 3.18 3.76 -1.26 -2.18 115.29 119.04 2ekx s HIS 65 Ca 0.31 -0.64 0.07 0.00 -0.15 0.00 0.00 55.06 54.65 2ekx s HIS 65 Cb -0.13 -1.21 -0.02 0.00 1.11 0.00 0.00 32.58 32.34 2ekx s HIS 65 CO 0.22 -0.30 -0.24 0.71 -0.85 0.00 0.00 174.74 174.28 2ekx s TYR 66 N 0.57 2.19 -0.22 1.40 2.02 -0.48 -5.01 117.35 117.82 2ekx s TYR 66 Ca -0.15 -0.50 -0.03 0.00 -0.37 0.00 0.00 57.07 56.02 2ekx s TYR 66 Cb -0.16 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 2ekx s TYR 66 CO 0.05 -0.10 -0.06 -1.01 -1.57 0.00 0.00 175.55 172.86 2ekx s HIS 67 N -0.40 2.96 -0.19 2.71 3.76 -1.26 -0.37 115.29 122.50 2ekx s HIS 67 Ca 0.05 -1.14 -0.31 0.00 -0.15 0.00 0.00 55.06 53.51 2ekx s HIS 67 Cb -0.11 -2.08 -0.08 0.00 1.11 0.00 0.00 32.58 31.42 2ekx s HIS 67 CO 0.01 -0.61 2.11 0.28 -0.85 0.00 0.00 174.74 175.68 2ekx n VAL 68 N 4.76 0.41 -3.45 -0.90 0.31 -1.08 -4.83 118.33 113.54 2ekx n VAL 68 Ca -0.18 -0.30 -0.28 0.00 -0.01 0.00 0.00 64.34 63.57 2ekx n VAL 68 Cb 0.50 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.23 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 6.72 3.48 0.02 3.52 3.76 -0.49 -4.75 115.29 127.55 2ekx s HIS 69 Ca 1.00 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 56.49 2ekx s HIS 69 Cb -0.55 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 2ekx s HIS 69 CO 0.43 0.23 -0.12 0.99 -0.85 0.00 0.00 174.74 175.42 2ekx s THR 70 N -2.02 0.95 0.37 1.30 2.01 -1.26 -1.61 115.64 115.38 2ekx s THR 70 Ca 0.42 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.66 2ekx s THR 70 Cb -0.11 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.57 2ekx s THR 70 CO 0.30 0.06 0.20 -0.46 -0.69 0.00 0.00 174.62 174.04 2ekx n ASN 71 N 2.23 2.41 -0.16 3.53 0.23 -1.23 -4.94 115.26 117.33 2ekx n ASN 71 Ca -0.17 -2.36 -0.03 0.00 -0.53 0.00 0.00 54.58 51.49 2ekx n ASN 71 Cb 0.55 0.05 0.05 0.00 -2.08 0.00 0.00 39.78 38.35 2ekx n ASN 71 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ekx h ALA 72 N 0.83 0.38 0.00 -2.53 0.00 -2.02 0.57 119.26 116.50 2ekx h ALA 72 Ca -0.25 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ekx h ALA 72 Cb 0.87 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ekx h ALA 72 CO 0.40 -0.43 0.04 0.39 0.00 0.00 0.00 179.25 179.66 2ekx n GLU 73 N -5.32 0.11 -2.69 0.00 -0.58 -1.26 -4.81 120.64 106.10 2ekx n GLU 73 Ca 0.05 0.61 -0.07 0.00 -0.42 0.00 0.00 57.16 57.33 2ekx n GLU 73 Cb 0.27 -1.92 0.02 0.00 -0.57 0.00 0.00 31.44 29.25 2ekx n GLU 73 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2ekx n ASN 74 N -2.12 -3.16 -4.70 1.62 3.02 0.20 -5.03 115.26 105.09 2ekx n ASN 74 Ca -0.01 -0.13 -0.35 0.00 -0.03 0.00 0.00 54.58 54.06 2ekx n ASN 74 Cb 0.07 -1.87 -0.09 0.00 -0.61 0.00 0.00 39.78 37.28 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 -5.18 4.12 -0.14 3.52 -0.14 -1.26 -4.86 119.74 115.80 2ekx s LYS 75 Ca 0.14 -0.26 -0.27 0.00 -1.36 0.00 0.00 55.97 54.22 2ekx s LYS 75 Cb -0.06 -3.36 -0.01 0.00 -1.68 0.00 0.00 37.83 32.71 2ekx s LYS 75 CO 0.18 0.28 0.90 -0.51 -0.76 0.00 0.00 175.35 175.43 2ekx s LEU 76 N 0.40 4.21 -0.04 3.17 1.43 -1.26 -3.52 118.68 123.07 2ekx s LEU 76 Ca 0.06 1.32 -0.10 0.00 -1.03 0.00 0.00 54.13 54.39 2ekx s LEU 76 Cb -0.12 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.76 2ekx s LEU 76 CO -0.01 -0.40 0.23 -0.72 0.23 0.00 0.00 176.35 175.67 2ekx s TYR 77 N 2.02 -0.15 -0.10 0.29 1.13 -0.63 -2.99 117.35 116.92 2ekx s TYR 77 Ca 0.42 0.31 0.09 0.00 -1.41 0.00 0.00 57.07 56.48 2ekx s TYR 77 Cb -0.17 0.05 -0.24 0.00 -1.10 0.00 0.00 41.96 40.50 2ekx s TYR 77 CO 0.15 -0.24 0.43 1.28 -2.51 0.00 0.00 175.55 174.66 2ekx n LEU 78 N 2.08 1.24 -4.28 -3.49 4.77 -1.26 -1.40 117.00 114.67 2ekx n LEU 78 Ca -0.18 0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.78 2ekx n LEU 78 Cb 0.57 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.39 2ekx n LEU 78 CO 0.20 0.55 -0.54 0.00 -1.33 0.00 0.00 177.39 176.26 2ekx s ALA 79 N -2.56 1.95 0.77 -1.18 0.00 -1.26 -4.86 121.76 114.61 2ekx s ALA 79 Ca -0.11 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.61 2ekx s ALA 79 Cb 0.07 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2ekx s ALA 79 CO 0.80 0.46 1.20 -2.00 0.00 0.00 0.00 175.76 176.22 2ekx s GLU 80 N -0.96 1.90 -1.14 0.00 2.12 -1.26 -3.06 118.70 116.31 2ekx s GLU 80 Ca 0.09 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.15 2ekx s GLU 80 Cb -0.09 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.49 2ekx s GLU 80 CO 0.01 -2.01 0.00 0.09 -0.54 0.00 0.00 175.26 172.81 2ekx n ASN 81 N -3.03 -4.09 -3.72 -1.70 3.02 -1.26 -5.00 115.26 99.48 2ekx n ASN 81 Ca 0.13 0.09 -0.12 0.00 -0.03 0.00 0.00 54.58 54.65 2ekx n ASN 81 Cb 0.50 -3.10 -0.07 0.00 -0.61 0.00 0.00 39.78 36.50 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 -2.57 -0.16 0.06 3.10 2.02 -1.17 -5.16 117.35 113.48 2ekx s TYR 82 Ca 0.00 0.08 -0.05 0.00 -0.37 0.00 0.00 57.07 56.73 2ekx s TYR 82 Cb 0.00 0.14 -0.02 0.00 -0.40 0.00 0.00 41.96 41.67 2ekx s TYR 82 CO 0.00 -0.52 0.07 0.00 -1.57 0.00 0.00 175.55 173.53 2ekx n PHE 84 N 0.12 -0.69 -0.04 0.00 3.01 -1.16 -5.02 117.46 113.67 2ekx n PHE 84 Ca -0.15 -2.74 -0.21 0.00 1.01 0.00 0.00 57.45 55.36 2ekx n PHE 84 Cb 0.61 0.26 -0.13 0.00 -0.01 0.00 0.00 39.48 40.21 2ekx n PHE 84 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2ekx n ASP 85 N -1.69 2.05 -3.49 4.37 -0.08 -1.26 -4.57 116.55 111.88 2ekx n ASP 85 Ca 0.06 0.20 -0.04 0.00 -1.51 0.00 0.00 54.79 53.50 2ekx n ASP 85 Cb 0.59 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 43.25 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ekx s SER 86 N -6.95 -0.09 0.11 1.67 0.01 -1.26 -4.90 113.70 102.29 2ekx s SER 86 Ca -0.26 -0.63 -0.32 0.00 1.31 0.00 0.00 55.95 56.05 2ekx s SER 86 Cb 0.07 0.56 -0.10 0.00 0.21 0.00 0.00 66.02 66.76 2ekx s SER 86 CO 0.70 -1.08 1.58 0.40 0.41 0.00 0.00 173.24 175.25 2ekx h ILE 87 N 2.00 0.11 -0.01 1.44 5.03 -1.97 -0.24 117.51 123.88 2ekx h ILE 87 Ca -0.26 0.00 -0.10 0.00 -0.12 0.00 0.00 64.86 64.37 2ekx h ILE 87 Cb 1.23 0.11 -0.01 0.00 -3.03 0.00 0.00 36.82 35.12 2ekx h ILE 87 CO 0.31 0.00 -0.48 1.55 -0.68 0.00 0.00 178.15 178.85 2ekx h PRO 88 N -0.65 0.03 0.00 2.37 0.13 -2.01 -2.62 132.00 129.24 2ekx h PRO 88 Ca 0.02 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2ekx h PRO 88 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2ekx h PRO 88 CO -0.28 0.51 0.00 1.63 -0.23 0.00 0.00 178.00 179.63 2ekx n LYS 89 N -3.96 0.08 -0.00 0.86 4.01 -0.90 -2.89 118.16 115.35 2ekx n LYS 89 Ca -0.02 0.26 -0.19 0.00 -0.51 0.00 0.00 58.31 57.86 2ekx n LYS 89 Cb 0.50 -1.64 -0.14 0.00 -0.51 0.00 0.00 35.03 33.24 2ekx n LYS 89 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2ekx n LEU 90 N -1.79 2.33 -0.14 -0.35 0.00 -0.15 -4.26 117.00 112.63 2ekx n LEU 90 Ca 0.04 0.23 -0.05 0.00 0.00 0.00 0.00 56.01 56.23 2ekx n LEU 90 Cb 0.24 -0.88 0.04 0.00 0.00 0.00 0.00 43.42 42.81 2ekx n LEU 90 CO 0.19 0.78 0.98 0.40 0.00 0.00 0.00 177.39 179.73 2ekx h ILE 91 N 0.06 0.90 -0.88 1.96 1.08 -1.46 -2.08 117.51 117.09 2ekx h ILE 91 Ca -0.41 -0.13 0.13 0.00 -0.39 0.00 0.00 64.86 64.07 2ekx h ILE 91 Cb 2.03 0.49 -0.14 0.00 -3.07 0.00 0.00 36.82 36.13 2ekx h ILE 91 CO 0.08 0.07 -0.40 -0.74 -0.69 0.00 0.00 178.15 176.47 2ekx h HIS 92 N 0.38 -1.16 0.73 1.37 2.76 -1.73 0.36 115.15 117.86 2ekx h HIS 92 Ca 0.21 0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.44 2ekx h HIS 92 Cb 0.17 0.63 0.01 0.00 1.55 0.00 0.00 27.41 29.77 2ekx h HIS 92 CO -0.13 -0.40 -0.35 1.88 -1.30 0.00 0.00 177.93 177.63 2ekx h TYR 93 N -0.05 -0.91 -1.31 5.26 0.05 -1.69 -2.87 116.97 115.45 2ekx h TYR 93 Ca 0.29 -0.02 0.42 0.00 0.05 0.00 0.00 58.73 59.47 2ekx h TYR 93 Cb 0.57 0.30 -0.12 0.00 1.01 0.00 0.00 36.73 38.49 2ekx h TYR 93 CO -0.83 -0.56 0.86 0.45 -1.05 0.00 0.00 178.16 177.03 2ekx h HIS 94 N -1.25 0.49 -0.39 4.88 3.86 -0.67 1.38 115.15 123.45 2ekx h HIS 94 Ca -0.10 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.01 2ekx h HIS 94 Cb 0.76 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2ekx h HIS 94 CO 0.00 -0.15 -0.23 0.37 0.86 0.00 0.00 177.93 178.78 2ekx h GLN 95 N 0.12 0.77 0.00 2.45 -0.00 -0.16 -3.26 115.11 115.03 2ekx h GLN 95 Ca 0.78 -0.31 0.00 0.00 -0.00 0.00 0.00 58.65 59.12 2ekx h GLN 95 Cb 2.48 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 29.93 2ekx h GLN 95 CO -0.36 0.93 -0.23 0.45 0.00 0.00 0.00 178.83 179.62 2ekx h HIS 96 N 0.67 0.00 -3.18 3.99 3.86 0.18 -3.43 115.15 117.24 2ekx h HIS 96 Ca 0.09 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.77 2ekx h HIS 96 Cb 0.74 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.81 2ekx h HIS 96 CO 0.04 0.00 -0.76 -0.80 0.86 0.00 0.00 177.93 177.26 2ekx s ASN 97 N -5.33 3.19 1.08 2.45 0.01 0.16 -5.06 114.94 111.44 2ekx s ASN 97 Ca -0.07 -1.04 -0.19 0.00 -0.71 0.00 0.00 52.86 50.86 2ekx s ASN 97 Cb 0.01 -0.60 0.08 0.00 0.41 0.00 0.00 41.25 41.15 2ekx s ASN 97 CO 0.10 -0.35 -0.15 -1.54 -1.51 0.00 0.00 177.10 173.65 2ekx n SER 98 N 5.04 -2.62 -3.90 -1.22 3.41 -1.23 -4.11 113.62 109.00 2ekx n SER 98 Ca -0.07 -0.18 -0.30 0.00 -0.26 0.00 0.00 58.87 58.06 2ekx n SER 98 Cb 0.46 -0.84 -0.15 0.00 -0.26 0.00 0.00 64.21 63.41 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 -2.16 2.20 0.00 7.33 0.00 -1.26 -4.92 121.76 122.95 2ekx s ALA 99 Ca 0.48 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2ekx s ALA 99 Cb -0.07 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.33 2ekx s ALA 99 CO 0.58 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2ekx n GLY 100 N 4.56 1.28 0.02 0.00 0.00 -1.26 -4.01 105.19 105.78 2ekx n GLY 100 Ca -0.02 -0.86 0.03 0.00 0.00 0.00 0.00 46.02 45.16 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 2.65 0.87 -1.59 1.61 0.00 -1.26 -4.99 117.12 114.42 2ekx n MET 101 Ca 0.00 -0.09 -0.60 0.00 0.00 0.00 0.00 57.70 57.01 2ekx n MET 101 Cb 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 33.22 31.82 2ekx n MET 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2ekx n ILE 102 N -2.10 0.14 -1.46 2.02 5.41 -1.26 -4.79 119.36 117.31 2ekx n ILE 102 Ca -0.07 -0.06 -0.44 0.00 1.00 0.00 0.00 62.75 63.18 2ekx n ILE 102 Cb 0.50 -0.92 -0.01 0.00 -0.71 0.00 0.00 39.64 38.50 2ekx n ILE 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2ekx n THR 103 N 5.21 1.81 -2.52 1.39 -1.04 -1.26 -4.42 114.28 113.45 2ekx n THR 103 Ca 0.36 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 2ekx n THR 103 Cb 0.05 -0.48 -0.02 0.00 -1.82 0.00 0.00 70.33 68.06 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 -1.37 4.09 0.20 -2.82 1.70 -1.26 -4.92 118.95 114.56 2ekx s ARG 104 Ca 0.62 1.31 -0.32 0.00 -0.47 0.00 0.00 55.73 56.87 2ekx s ARG 104 Cb -0.72 -3.78 -0.15 0.00 -0.57 0.00 0.00 34.95 29.73 2ekx s ARG 104 CO 0.58 -0.89 1.11 1.28 -1.08 0.00 0.00 175.30 176.31 2ekx n LEU 105 N 6.97 1.49 -0.10 -1.89 4.77 -1.23 -4.91 117.00 122.10 2ekx n LEU 105 Ca 0.13 1.15 -0.13 0.00 -0.03 0.00 0.00 56.01 57.13 2ekx n LEU 105 Cb 0.46 -1.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.28 2ekx n LEU 105 CO 0.59 -1.38 -0.80 -1.14 -1.33 0.00 0.00 177.39 173.32 2ekx n ARG 106 N 1.51 0.53 -3.78 3.23 3.00 -0.86 -4.76 116.66 115.53 2ekx n ARG 106 Ca 0.14 0.27 -0.13 0.00 -0.00 0.00 0.00 57.85 58.13 2ekx n ARG 106 Cb 0.26 -1.49 -0.09 0.00 0.00 0.00 0.00 32.46 31.14 2ekx n ARG 106 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2ekx s HIS 107 N -2.72 -0.18 0.16 -0.14 3.76 -1.26 -4.95 115.29 109.96 2ekx s HIS 107 Ca -0.29 0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.63 2ekx s HIS 107 Cb 0.06 0.07 -0.08 0.00 1.11 0.00 0.00 32.58 33.74 2ekx s HIS 107 CO 0.42 -0.31 1.32 -1.25 -0.85 0.00 0.00 174.74 174.07 2ekx s PRO 108 N -0.98 4.37 0.14 8.40 0.04 -1.26 -1.56 135.00 144.15 2ekx s PRO 108 Ca -0.10 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.04 2ekx s PRO 108 Cb -0.05 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2ekx s PRO 108 CO 0.03 -0.31 -0.02 0.08 0.04 0.00 0.00 177.00 176.82 2ekx s VAL 109 N 0.49 3.73 0.00 -0.36 1.01 0.69 -4.74 120.40 121.22 2ekx s VAL 109 Ca 0.59 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2ekx s VAL 109 Cb -0.36 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2ekx s VAL 109 CO 0.35 -0.01 0.00 -1.54 0.00 0.00 0.00 175.10 173.90