#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 3.24 0.47 1.61 1.04 -1.26 -5.11 113.70 113.69 2ekx s SER 2 Ca 0.00 -2.56 0.03 0.00 0.48 0.00 0.00 55.95 53.89 2ekx s SER 2 Cb 0.00 -0.77 -0.03 0.00 0.10 0.00 0.00 66.02 65.32 2ekx s SER 2 CO 0.00 -0.27 0.03 -0.94 0.98 0.00 0.00 173.24 173.04 2ekx s SER 3 N 0.51 3.79 -0.49 7.02 1.04 -1.26 -5.12 113.70 119.20 2ekx s SER 3 Ca 0.20 -1.61 0.04 0.00 0.48 0.00 0.00 55.95 55.05 2ekx s SER 3 Cb -0.20 0.37 0.17 0.00 0.10 0.00 0.00 66.02 66.45 2ekx s SER 3 CO -0.02 -0.80 0.37 -0.83 0.98 0.00 0.00 173.24 172.93 2ekx s GLY 4 N -3.79 1.66 -0.02 7.32 0.00 -1.26 -5.11 107.32 106.12 2ekx s GLY 4 Ca 0.14 -2.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.05 2ekx s GLY 4 CO 0.08 1.81 0.11 -1.35 0.00 0.00 0.00 173.10 173.75 2ekx s SER 5 N -0.26 5.94 -0.37 1.64 1.04 -1.26 -5.09 113.70 115.35 2ekx s SER 5 Ca 0.29 0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.84 2ekx s SER 5 Cb -0.02 -1.78 0.01 0.00 0.10 0.00 0.00 66.02 64.33 2ekx s SER 5 CO -0.16 0.29 0.23 -0.44 0.98 0.00 0.00 173.24 174.13 2ekx s SER 6 N -1.67 5.85 0.28 7.02 0.01 -1.26 -5.08 113.70 118.86 2ekx s SER 6 Ca 0.23 -0.79 0.12 0.00 1.31 0.00 0.00 55.95 56.82 2ekx s SER 6 Cb -0.12 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 2ekx s SER 6 CO 0.14 -0.34 -0.18 -0.83 0.41 0.00 0.00 173.24 172.43 2ekx s GLY 7 N 1.63 1.87 -0.49 3.44 0.00 -1.26 -5.03 107.32 107.47 2ekx s GLY 7 Ca 0.04 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 42.90 2ekx s GLY 7 CO 0.08 -1.95 1.93 1.04 0.00 0.00 0.00 173.10 174.20 2ekx n LEU 8 N -0.65 6.88 0.01 0.66 4.77 -1.26 -4.39 117.00 123.02 2ekx n LEU 8 Ca -0.05 -3.71 -0.22 0.00 -0.03 0.00 0.00 56.01 52.00 2ekx n LEU 8 Cb 0.60 -0.91 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 2ekx n LEU 8 CO 0.38 1.21 -0.46 -0.78 -1.33 0.00 0.00 177.39 176.42 2ekx h ASP 9 N 1.41 0.40 -0.91 -1.43 3.58 -1.96 -3.37 116.42 114.14 2ekx h ASP 9 Ca 0.54 -0.86 0.17 0.00 0.42 0.00 0.00 57.03 57.30 2ekx h ASP 9 Cb 1.65 -0.13 -0.16 0.00 1.72 0.00 0.00 39.33 42.40 2ekx h ASP 9 CO 1.19 1.65 -0.29 -0.78 -2.88 0.00 0.00 179.24 178.13 2ekx h ASP 10 N -0.26 -1.07 -3.51 2.28 3.58 -1.97 -3.41 116.42 112.07 2ekx h ASP 10 Ca -0.32 0.28 -0.54 0.00 0.42 0.00 0.00 57.03 56.88 2ekx h ASP 10 Cb 1.80 0.63 0.20 0.00 1.72 0.00 0.00 39.33 43.68 2ekx h ASP 10 CO 0.07 -0.30 -0.37 -1.22 -2.88 0.00 0.00 179.24 174.54 2ekx n TYR 11 N -5.54 -0.81 -0.11 0.28 4.01 -1.26 -4.98 117.16 108.76 2ekx n TYR 11 Ca 0.12 0.29 -0.22 0.00 -0.16 0.00 0.00 57.90 57.94 2ekx n TYR 11 Cb 0.43 -1.87 -0.09 0.00 -0.31 0.00 0.00 39.34 37.51 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 -1.50 1.90 -0.32 7.72 8.00 -1.26 -4.40 116.55 126.69 2ekx n ASP 12 Ca 0.09 0.40 0.15 0.00 0.71 0.00 0.00 54.79 56.14 2ekx n ASP 12 Cb 0.52 -0.87 0.33 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.00 0.84 -1.62 1.24 5.08 -1.88 -3.38 115.95 115.23 2ekx h TRP 13 Ca -0.41 0.04 -0.46 0.00 1.08 0.00 0.00 58.89 59.13 2ekx h TRP 13 Cb 1.30 -0.22 0.01 0.00 -3.00 0.00 0.00 29.16 27.25 2ekx h TRP 13 CO -0.08 0.03 1.64 0.34 -1.28 0.00 0.00 178.44 179.09 2ekx n PHE 14 N -4.95 1.45 0.06 0.12 7.35 -1.26 -2.20 117.46 118.03 2ekx n PHE 14 Ca 0.24 0.11 -0.20 0.00 -0.76 0.00 0.00 57.45 56.84 2ekx n PHE 14 Cb 0.67 -2.64 -0.13 0.00 0.35 0.00 0.00 39.48 37.72 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 19.52 -0.04 0.00 3.13 0.00 -0.60 -3.47 119.26 137.81 2ekx h ALA 15 Ca -0.25 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2ekx h ALA 15 Cb 1.27 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2ekx h ALA 15 CO 1.15 0.47 0.00 0.41 0.00 0.00 0.00 179.25 181.29 2ekx n GLY 16 N 1.44 0.77 3.60 0.00 0.00 -1.06 -4.89 105.19 105.05 2ekx n GLY 16 Ca -0.13 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 2ekx n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ekx s ASN 17 N -4.00 6.19 0.44 1.61 2.47 -1.26 -2.93 114.94 117.47 2ekx s ASN 17 Ca 0.00 0.82 0.03 0.00 0.42 0.00 0.00 52.86 54.13 2ekx s ASN 17 Cb 0.00 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.24 2ekx s ASN 17 CO 0.00 -1.55 0.11 0.27 -3.72 0.00 0.00 177.10 172.21 2ekx s ILE 18 N 5.89 0.67 0.07 -5.21 -5.25 -1.26 -5.05 121.20 111.07 2ekx s ILE 18 Ca 0.63 -2.00 0.08 0.00 -0.99 0.00 0.00 60.65 58.37 2ekx s ILE 18 Cb -0.15 -2.26 -0.04 0.00 2.95 0.00 0.00 42.46 42.97 2ekx s ILE 18 CO 0.31 0.00 -0.18 -0.55 -1.79 0.00 0.00 174.94 172.74 2ekx s SER 19 N -3.68 3.85 0.60 4.36 0.15 -1.26 -4.96 113.70 112.76 2ekx s SER 19 Ca 0.18 -0.48 0.30 0.00 0.70 0.00 0.00 55.95 56.65 2ekx s SER 19 Cb 0.02 -0.59 1.05 0.00 -1.71 0.00 0.00 66.02 64.79 2ekx s SER 19 CO 0.12 0.22 1.37 -0.09 1.20 0.00 0.00 173.24 176.06 2ekx h ARG 20 N 4.17 0.00 0.00 5.44 2.43 -2.02 0.25 114.38 124.65 2ekx h ARG 20 Ca -0.49 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2ekx h ARG 20 Cb 1.16 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2ekx h ARG 20 CO 0.47 0.00 -0.15 0.77 -1.51 0.00 0.00 179.97 179.55 2ekx h SER 21 N 0.00 0.00 -0.35 -3.80 0.02 -2.00 -3.34 113.55 104.07 2ekx h SER 21 Ca 0.53 -0.24 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 2ekx h SER 21 Cb 2.92 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 65.38 2ekx h SER 21 CO -0.01 0.70 -0.23 1.56 -1.14 0.00 0.00 176.83 177.72 2ekx h GLN 22 N -1.00 -0.17 -1.00 3.45 4.20 -0.96 0.25 115.11 119.88 2ekx h GLN 22 Ca -0.02 0.01 0.37 0.00 0.06 0.00 0.00 58.65 59.07 2ekx h GLN 22 Cb 0.37 0.04 -0.17 0.00 0.30 0.00 0.00 27.48 28.02 2ekx h GLN 22 CO -0.01 -0.11 0.52 0.66 -0.67 0.00 0.00 178.83 179.21 2ekx h SER 23 N -0.18 0.35 0.00 1.46 4.64 -1.38 0.20 113.55 118.64 2ekx h SER 23 Ca 0.18 0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.70 2ekx h SER 23 Cb 0.45 0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2ekx h SER 23 CO -0.46 -0.31 -0.28 -0.33 -0.87 0.00 0.00 176.83 174.58 2ekx h GLU 24 N 0.13 0.00 -0.51 4.77 5.08 -1.17 -3.31 114.58 119.57 2ekx h GLU 24 Ca 0.79 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 59.20 2ekx h GLU 24 Cb 1.95 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.12 2ekx h GLU 24 CO -0.71 0.33 -0.51 0.37 -1.00 0.00 0.00 179.01 177.49 2ekx h GLN 25 N -1.00 -0.25 -0.37 2.33 4.15 0.37 0.80 115.11 121.15 2ekx h GLN 25 Ca -0.04 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.43 2ekx h GLN 25 Cb 0.49 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 2ekx h GLN 25 CO -0.03 -0.17 -0.28 -0.07 -1.93 0.00 0.00 178.83 176.35 2ekx h LEU 26 N -0.26 -1.00 -0.28 -2.39 3.38 -0.84 0.73 115.31 114.65 2ekx h LEU 26 Ca 0.09 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2ekx h LEU 26 Cb 0.49 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 2ekx h LEU 26 CO -0.62 -0.15 -0.43 -0.07 0.09 0.00 0.00 178.44 177.26 2ekx h LEU 27 N -0.08 -1.41 -0.65 1.67 3.38 -1.50 -1.79 115.31 114.93 2ekx h LEU 27 Ca 0.06 0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.34 2ekx h LEU 27 Cb 0.24 0.59 -0.12 0.00 0.09 0.00 0.00 40.66 41.46 2ekx h LEU 27 CO -0.39 -0.40 -0.37 0.03 0.09 0.00 0.00 178.44 177.40 2ekx h ARG 28 N -0.41 -0.15 -0.72 1.13 3.08 0.11 0.87 114.38 118.30 2ekx h ARG 28 Ca 0.11 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.32 2ekx h ARG 28 Cb 0.60 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.56 2ekx h ARG 28 CO -0.50 -0.10 -0.05 1.96 -1.07 0.00 0.00 179.97 180.21 2ekx h GLN 29 N -0.15 0.07 -0.89 0.04 1.08 -0.03 0.38 115.11 115.60 2ekx h GLN 29 Ca 0.23 -0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.57 2ekx h GLN 29 Cb 0.56 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 2ekx h GLN 29 CO -0.73 0.05 0.58 -0.22 -0.95 0.00 0.00 178.83 177.55 2ekx h LYS 30 N 0.07 0.71 -6.53 1.46 1.63 -0.41 -3.45 116.57 110.04 2ekx h LYS 30 Ca 0.38 -0.04 -0.51 0.00 -0.85 0.00 0.00 60.65 59.62 2ekx h LYS 30 Cb 0.63 -0.16 -0.11 0.00 -0.60 0.00 0.00 32.23 31.99 2ekx h LYS 30 CO -0.66 0.47 -0.83 0.41 -3.45 0.00 0.00 179.45 175.39 2ekx n GLY 31 N -1.42 -0.39 2.75 5.01 0.00 0.13 -4.93 105.19 106.33 2ekx n GLY 31 Ca 0.17 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.70 1.42 -0.49 1.61 -0.14 -1.26 -5.08 119.74 109.10 2ekx s LYS 32 Ca 0.49 -2.15 -0.45 0.00 -1.36 0.00 0.00 55.97 52.50 2ekx s LYS 32 Cb -0.26 -2.50 -0.19 0.00 -1.68 0.00 0.00 37.83 33.20 2ekx s LYS 32 CO 0.89 -1.16 1.79 0.39 -0.76 0.00 0.00 175.35 176.49 2ekx n GLU 33 N 3.41 0.00 0.00 1.68 4.71 -1.26 -0.99 120.64 128.19 2ekx n GLU 33 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 2ekx n GLU 33 Cb 0.34 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.30 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ekx n GLY 34 N 5.33 1.59 2.91 0.62 0.00 0.14 -4.86 105.19 110.93 2ekx n GLY 34 Ca 0.40 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.79 -2.12 4.61 0.00 -0.16 -2.21 120.51 117.84 2ekx n ALA 35 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 2ekx n ALA 35 Cb 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.43 0.52 0.22 0.00 -0.71 0.66 0.06 117.98 117.30 2ekx s PHE 36 Ca 0.52 -1.05 -0.21 0.00 -1.04 0.00 0.00 56.93 55.16 2ekx s PHE 36 Cb -0.58 -0.38 0.04 0.00 -1.21 0.00 0.00 43.02 40.89 2ekx s PHE 36 CO 0.55 -0.40 0.64 0.00 -1.34 0.00 0.00 175.22 174.67 2ekx s MET 37 N -3.92 1.54 0.07 1.99 0.23 0.23 -0.34 119.30 119.10 2ekx s MET 37 Ca 0.08 -0.81 0.02 0.00 -1.03 0.00 0.00 55.69 53.95 2ekx s MET 37 Cb 0.08 0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 33.93 2ekx s MET 37 CO -0.09 -0.69 -0.07 0.08 -2.03 0.00 0.00 175.02 172.22 2ekx s VAL 38 N -3.86 0.63 0.30 5.16 1.01 -0.93 -0.81 120.40 121.89 2ekx s VAL 38 Ca 0.08 -1.55 0.03 0.00 0.00 0.00 0.00 61.98 60.54 2ekx s VAL 38 Cb -0.03 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 2ekx s VAL 38 CO -0.01 -0.65 0.29 0.00 0.00 0.00 0.00 175.10 174.73 2ekx s ARG 39 N -2.81 1.65 -0.31 2.72 1.70 -1.10 0.00 118.95 120.81 2ekx s ARG 39 Ca 0.02 -1.84 -0.10 0.00 -0.47 0.00 0.00 55.73 53.33 2ekx s ARG 39 Cb -0.02 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 2ekx s ARG 39 CO -0.02 -0.62 0.17 0.54 -1.08 0.00 0.00 175.30 174.29 2ekx s ASN 40 N -3.28 5.71 0.44 -2.89 4.22 -1.15 -3.82 114.94 114.17 2ekx s ASN 40 Ca 0.38 -0.37 -0.26 0.00 -2.14 0.00 0.00 52.86 50.47 2ekx s ASN 40 Cb 0.03 -2.05 -0.08 0.00 1.28 0.00 0.00 41.25 40.42 2ekx s ASN 40 CO 0.22 -0.16 1.42 -0.55 -2.04 0.00 0.00 177.10 175.98 2ekx s SER 41 N 1.67 5.95 0.56 3.54 0.15 -1.25 -4.83 113.70 119.49 2ekx s SER 41 Ca 0.06 2.90 0.30 0.00 0.70 0.00 0.00 55.95 59.91 2ekx s SER 41 Cb -0.17 -2.65 1.46 0.00 -1.71 0.00 0.00 66.02 62.95 2ekx s SER 41 CO 0.08 -1.12 1.88 0.77 1.20 0.00 0.00 173.24 176.05 2ekx h SER 42 N 2.40 0.00 -3.62 5.45 4.64 -1.98 -3.35 113.55 117.10 2ekx h SER 42 Ca -0.51 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.12 2ekx h SER 42 Cb 1.26 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.14 2ekx h SER 42 CO 0.61 0.00 -0.49 -1.10 -0.87 0.00 0.00 176.83 174.99 2ekx s GLN 43 N -4.81 3.17 0.16 4.77 -0.21 -1.26 -5.05 119.66 116.43 2ekx s GLN 43 Ca -0.05 -0.86 -0.34 0.00 0.02 0.00 0.00 55.36 54.14 2ekx s GLN 43 Cb 0.19 -3.79 -0.15 0.00 1.00 0.00 0.00 33.01 30.26 2ekx s GLN 43 CO 0.67 -0.58 1.44 1.55 -2.12 0.00 0.00 175.29 176.25 2ekx n VAL 44 N 5.07 0.31 0.00 1.09 3.14 -1.26 -2.82 118.33 123.87 2ekx n VAL 44 Ca -0.12 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 2ekx n VAL 44 Cb 0.48 -1.28 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 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 2.77 3.38 3.94 7.55 0.00 -1.26 -5.08 105.19 116.48 2ekx n GLY 45 Ca 0.16 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 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 3.49 0.08 1.61 1.00 -1.13 -5.11 119.30 119.25 2ekx s MET 46 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 55.69 55.27 2ekx s MET 46 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 34.83 31.99 2ekx s MET 46 CO 0.00 0.35 -0.10 0.71 0.00 0.00 0.00 175.02 175.97 2ekx s TYR 47 N -2.01 1.03 -0.23 -0.03 1.51 -1.26 -3.76 117.35 112.60 2ekx s TYR 47 Ca 0.38 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 2ekx s TYR 47 Cb -0.10 -0.57 0.06 0.00 -0.11 0.00 0.00 41.96 41.24 2ekx s TYR 47 CO 0.31 -0.00 -0.03 0.99 -1.11 0.00 0.00 175.55 175.71 2ekx s THR 48 N -2.05 1.35 -0.44 -0.71 2.01 -1.25 -1.04 115.64 113.51 2ekx s THR 48 Ca 0.01 -1.15 -0.20 0.00 0.31 0.00 0.00 61.69 60.67 2ekx s THR 48 Cb -0.05 -1.68 0.03 0.00 0.01 0.00 0.00 72.50 70.80 2ekx s THR 48 CO 0.00 -0.16 0.58 -0.69 -0.69 0.00 0.00 174.62 173.67 2ekx s VAL 49 N 1.47 4.91 -0.06 3.82 1.01 0.09 -2.71 120.40 128.93 2ekx s VAL 49 Ca -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2ekx s VAL 49 Cb -0.18 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2ekx s VAL 49 CO -0.07 -0.58 0.05 -0.44 0.00 0.00 0.00 175.10 174.06 2ekx s SER 50 N 2.04 5.56 0.15 3.32 0.01 0.01 -2.21 113.70 122.58 2ekx s SER 50 Ca 0.19 0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.52 2ekx s SER 50 Cb -0.16 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2ekx s SER 50 CO 0.16 0.34 0.32 -1.48 0.41 0.00 0.00 173.24 172.99 2ekx s LEU 51 N -1.24 0.85 -0.33 2.44 0.05 -1.20 0.77 118.68 120.02 2ekx s LEU 51 Ca 0.17 -0.70 -0.12 0.00 0.05 0.00 0.00 54.13 53.53 2ekx s LEU 51 Cb -0.12 1.39 -0.01 0.00 -2.05 0.00 0.00 46.19 45.40 2ekx s LEU 51 CO 0.07 -0.88 0.21 0.12 -0.55 0.00 0.00 176.35 175.31 2ekx s PHE 52 N -3.91 3.21 -0.08 3.48 5.36 0.11 -2.73 117.98 123.41 2ekx s PHE 52 Ca 0.12 -0.39 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 2ekx s PHE 52 Cb 0.03 -2.43 0.02 0.00 -0.34 0.00 0.00 43.02 40.30 2ekx s PHE 52 CO -0.04 -0.41 -0.10 0.45 -1.46 0.00 0.00 175.22 173.66 2ekx s SER 53 N 1.67 1.81 -0.12 6.13 0.15 -1.26 -0.68 113.70 121.41 2ekx s SER 53 Ca 0.05 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 2ekx s SER 53 Cb -0.17 -0.78 0.04 0.00 -1.71 0.00 0.00 66.02 63.40 2ekx s SER 53 CO 0.09 -0.03 0.03 -0.75 1.20 0.00 0.00 173.24 173.78 2ekx s LYS 54 N 1.07 0.43 0.64 5.44 2.20 -1.26 -4.25 119.74 124.01 2ekx s LYS 54 Ca -0.07 -0.03 -0.17 0.00 -0.36 0.00 0.00 55.97 55.34 2ekx s LYS 54 Cb -0.14 -1.35 -0.06 0.00 -1.51 0.00 0.00 37.83 34.76 2ekx s LYS 54 CO -0.01 -0.46 0.64 0.00 -0.36 0.00 0.00 175.35 175.16 2ekx n ALA 55 N 5.17 -0.94 -0.33 3.13 0.00 -1.26 -4.82 120.51 121.45 2ekx n ALA 55 Ca -0.07 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.37 2ekx n ALA 55 Cb 0.49 -1.91 0.23 0.00 0.00 0.00 0.00 19.45 18.25 2ekx n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ekx h VAL 56 N 0.04 0.07 -3.51 0.00 2.07 -2.05 -3.09 116.25 109.77 2ekx h VAL 56 Ca -0.46 -0.01 -0.69 0.00 0.82 0.00 0.00 66.70 66.36 2ekx h VAL 56 Cb 1.37 0.04 -0.36 0.00 -1.52 0.00 0.00 31.29 30.82 2ekx h VAL 56 CO 0.46 0.00 -0.43 0.21 0.02 0.00 0.00 177.57 177.84 2ekx s ASN 57 N -5.11 5.07 -0.22 0.57 3.84 -1.26 -5.02 114.94 112.80 2ekx s ASN 57 Ca -0.14 -2.83 -0.03 0.00 0.21 0.00 0.00 52.86 50.07 2ekx s ASN 57 Cb 0.27 -1.81 0.10 0.00 -0.55 0.00 0.00 41.25 39.26 2ekx s ASN 57 CO 0.77 -0.35 0.22 -0.62 -2.79 0.00 0.00 177.10 174.34 2ekx s ASP 58 N 0.57 1.61 0.00 -4.21 2.15 -1.17 -5.06 116.67 110.56 2ekx s ASP 58 Ca 0.16 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.74 2ekx s ASP 58 Cb -0.21 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 2ekx s ASP 58 CO -0.03 -0.35 0.71 0.29 -0.17 0.00 0.00 175.17 175.62 2ekx n LYS 59 N 5.31 0.00 -3.97 4.34 5.02 -1.26 -3.98 118.16 123.62 2ekx n LYS 59 Ca -0.05 0.71 -0.34 0.00 -2.02 0.00 0.00 58.31 56.61 2ekx n LYS 59 Cb 0.48 -1.10 -0.14 0.00 -0.02 0.00 0.00 35.03 34.25 2ekx n LYS 59 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ekx s LYS 60 N -2.56 2.32 0.22 1.97 3.01 -1.26 -5.09 119.74 118.36 2ekx s LYS 60 Ca 0.00 -1.33 -0.31 0.00 -1.01 0.00 0.00 55.97 53.32 2ekx s LYS 60 Cb 0.00 -3.08 -0.11 0.00 -1.01 0.00 0.00 37.83 33.62 2ekx s LYS 60 CO 0.00 -0.62 1.65 0.20 0.51 0.00 0.00 175.35 177.09 2ekx s GLY 61 N 1.20 1.55 -0.11 -3.33 0.00 -1.26 -4.99 107.32 100.38 2ekx s GLY 61 Ca -0.06 1.53 -0.03 0.00 0.00 0.00 0.00 44.72 46.16 2ekx s GLY 61 CO -0.03 2.72 0.00 -1.59 0.00 0.00 0.00 173.10 174.21 2ekx s THR 62 N 0.82 4.31 0.13 0.90 2.01 -1.26 -5.03 115.64 117.52 2ekx s THR 62 Ca 0.70 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 2ekx s THR 62 Cb -0.48 -2.85 -0.07 0.00 0.01 0.00 0.00 72.50 69.12 2ekx s THR 62 CO 0.36 0.57 1.12 -0.69 -0.69 0.00 0.00 174.62 175.28 2ekx s VAL 63 N -0.49 4.00 0.25 3.82 1.01 -1.26 -4.31 120.40 123.42 2ekx s VAL 63 Ca 0.09 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.73 2ekx s VAL 63 Cb -0.12 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2ekx s VAL 63 CO 0.02 0.22 0.38 -0.54 0.00 0.00 0.00 175.10 175.18 2ekx s LYS 64 N 0.13 3.43 0.00 2.72 3.01 -1.11 -5.02 119.74 122.91 2ekx s LYS 64 Ca 0.52 -0.74 0.02 0.00 -1.01 0.00 0.00 55.97 54.76 2ekx s LYS 64 Cb -0.29 -2.87 -0.01 0.00 -1.01 0.00 0.00 37.83 33.66 2ekx s LYS 64 CO 0.33 0.39 -0.06 -3.38 0.51 0.00 0.00 175.35 173.14 2ekx s HIS 65 N -2.01 0.54 -0.02 3.18 -3.43 -1.26 -3.23 115.29 109.06 2ekx s HIS 65 Ca 0.35 -0.13 0.04 0.00 -0.80 0.00 0.00 55.06 54.51 2ekx s HIS 65 Cb -0.09 -0.34 -0.01 0.00 -1.43 0.00 0.00 32.58 30.71 2ekx s HIS 65 CO 0.30 -0.01 -0.12 0.71 -2.00 0.00 0.00 174.74 173.61 2ekx s TYR 66 N -0.25 1.11 -0.35 0.38 2.02 -0.94 -5.02 117.35 114.30 2ekx s TYR 66 Ca 0.01 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 2ekx s TYR 66 Cb -0.03 -0.73 0.10 0.00 -0.40 0.00 0.00 41.96 40.90 2ekx s TYR 66 CO -0.00 -0.05 0.08 -1.01 -1.57 0.00 0.00 175.55 173.00 2ekx s HIS 67 N -0.16 3.63 -0.30 2.71 3.76 -1.26 -0.73 115.29 122.95 2ekx s HIS 67 Ca 0.02 -2.68 -0.42 0.00 -0.15 0.00 0.00 55.06 51.83 2ekx s HIS 67 Cb -0.06 -2.87 -0.17 0.00 1.11 0.00 0.00 32.58 30.59 2ekx s HIS 67 CO -0.00 -0.94 1.65 0.28 -0.85 0.00 0.00 174.74 174.87 2ekx n VAL 68 N 4.40 0.19 -3.69 -0.90 0.31 -0.21 -4.89 118.33 113.53 2ekx n VAL 68 Ca -0.01 -0.03 -0.26 0.00 -0.01 0.00 0.00 64.34 64.03 2ekx n VAL 68 Cb 0.42 -0.95 -0.03 0.00 -0.91 0.00 0.00 33.84 32.38 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 3.00 3.48 -0.06 3.52 3.76 0.87 -4.45 115.29 125.41 2ekx s HIS 69 Ca 0.99 0.28 0.05 0.00 -0.15 0.00 0.00 55.06 56.22 2ekx s HIS 69 Cb -1.18 -1.81 -0.00 0.00 1.11 0.00 0.00 32.58 30.69 2ekx s HIS 69 CO 0.68 0.35 -0.21 0.99 -0.85 0.00 0.00 174.74 175.70 2ekx s THR 70 N -1.96 1.79 0.41 1.30 2.01 -1.26 -2.08 115.64 115.85 2ekx s THR 70 Ca 0.38 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2ekx s THR 70 Cb -0.10 -1.53 0.08 0.00 0.01 0.00 0.00 72.50 70.95 2ekx s THR 70 CO 0.30 0.50 0.57 -0.46 -0.69 0.00 0.00 174.62 174.84 2ekx n ASN 71 N 3.18 0.95 -0.17 3.53 6.94 -1.07 -4.88 115.26 123.75 2ekx n ASN 71 Ca -0.18 -1.76 0.07 0.00 -0.02 0.00 0.00 54.58 52.69 2ekx n ASN 71 Cb 0.52 -0.35 0.38 0.00 -2.36 0.00 0.00 39.78 37.97 2ekx n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ekx h ALA 72 N -0.30 1.75 -0.33 -2.53 0.00 -2.01 -0.84 119.26 115.00 2ekx h ALA 72 Ca -0.19 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 2ekx h ALA 72 Cb 0.74 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2ekx h ALA 72 CO 0.22 0.13 0.24 0.39 0.00 0.00 0.00 179.25 180.22 2ekx n GLU 73 N -4.48 1.45 -4.32 0.00 1.02 -1.26 -4.84 120.64 108.21 2ekx n GLU 73 Ca 0.11 -1.02 -0.35 0.00 -0.02 0.00 0.00 57.16 55.88 2ekx n GLU 73 Cb 0.25 -1.40 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 2ekx n GLU 73 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2ekx n ASN 74 N 0.16 -0.26 -4.65 1.62 2.85 -0.32 -4.88 115.26 109.78 2ekx n ASN 74 Ca 0.20 -1.21 -0.37 0.00 -0.11 0.00 0.00 54.58 53.09 2ekx n ASN 74 Cb 0.80 -1.53 -0.09 0.00 1.24 0.00 0.00 39.78 40.20 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 -7.11 4.06 0.16 1.20 1.02 -1.26 -4.86 119.74 112.96 2ekx s LYS 75 Ca 0.35 -0.22 -0.24 0.00 0.02 0.00 0.00 55.97 55.88 2ekx s LYS 75 Cb -0.21 -3.56 -0.08 0.00 -0.52 0.00 0.00 37.83 33.46 2ekx s LYS 75 CO 0.97 0.00 0.75 -0.51 -0.92 0.00 0.00 175.35 175.64 2ekx s LEU 76 N 1.23 4.57 -0.13 3.17 1.43 -1.26 -2.59 118.68 125.10 2ekx s LEU 76 Ca 0.09 1.59 -0.32 0.00 -1.03 0.00 0.00 54.13 54.46 2ekx s LEU 76 Cb -0.14 -3.26 0.13 0.00 0.03 0.00 0.00 46.19 42.94 2ekx s LEU 76 CO 0.06 0.21 1.08 -0.72 0.23 0.00 0.00 176.35 177.21 2ekx s TYR 77 N -1.17 -0.23 -0.24 0.29 1.13 -0.88 -2.72 117.35 113.53 2ekx s TYR 77 Ca 0.35 0.20 -0.16 0.00 -1.41 0.00 0.00 57.07 56.05 2ekx s TYR 77 Cb -0.22 0.51 -0.16 0.00 -1.10 0.00 0.00 41.96 40.99 2ekx s TYR 77 CO 0.25 -0.33 -0.10 1.28 -2.51 0.00 0.00 175.55 174.15 2ekx n LEU 78 N -0.00 2.00 -4.70 -3.49 4.77 -1.26 -0.09 117.00 114.22 2ekx n LEU 78 Ca -0.04 0.34 -0.38 0.00 -0.03 0.00 0.00 56.01 55.90 2ekx n LEU 78 Cb 0.59 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2ekx n LEU 78 CO 0.10 0.49 0.18 0.00 -1.33 0.00 0.00 177.39 176.83 2ekx s ALA 79 N -2.45 3.50 0.21 -1.18 0.00 -1.26 -4.73 121.76 115.85 2ekx s ALA 79 Ca -0.34 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.17 2ekx s ALA 79 Cb 0.11 -2.69 0.21 0.00 0.00 0.00 0.00 23.12 20.75 2ekx s ALA 79 CO 0.55 -0.15 1.59 0.93 0.00 0.00 0.00 175.76 178.68 2ekx h GLU 80 N 6.98 -0.08 -2.29 0.00 5.08 -2.00 -0.59 114.58 121.68 2ekx h GLU 80 Ca -0.38 0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.62 2ekx h GLU 80 Cb 1.17 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2ekx h GLU 80 CO 0.75 -0.05 0.90 0.09 -1.00 0.00 0.00 179.01 179.70 2ekx n ASN 81 N -5.47 6.36 -3.50 1.42 3.02 -1.26 -4.80 115.26 111.03 2ekx n ASN 81 Ca 0.07 -2.57 -0.11 0.00 -0.03 0.00 0.00 54.58 51.95 2ekx n ASN 81 Cb 0.37 -1.44 -0.02 0.00 -0.61 0.00 0.00 39.78 38.08 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 1.08 -0.45 -0.16 3.10 2.02 -0.23 -5.01 117.35 117.70 2ekx s TYR 82 Ca 0.67 0.21 -0.14 0.00 -0.37 0.00 0.00 57.07 57.45 2ekx s TYR 82 Cb 0.28 0.58 0.05 0.00 -0.40 0.00 0.00 41.96 42.47 2ekx s TYR 82 CO -0.03 -0.86 0.42 0.00 -1.57 0.00 0.00 175.55 173.51 2ekx n PHE 84 N 3.15 -0.02 -0.10 0.00 3.01 -1.10 -5.05 117.46 117.35 2ekx n PHE 84 Ca -0.15 -1.73 -0.19 0.00 1.01 0.00 0.00 57.45 56.39 2ekx n PHE 84 Cb 0.57 0.03 -0.09 0.00 -0.01 0.00 0.00 39.48 39.98 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 -1.79 1.87 -2.24 4.37 -0.08 -1.26 -4.43 116.55 112.98 2ekx n ASP 85 Ca -0.02 0.45 -0.08 0.00 -1.51 0.00 0.00 54.79 53.63 2ekx n ASP 85 Cb 0.40 -0.92 -0.01 0.00 2.34 0.00 0.00 41.12 42.94 2ekx n ASP 85 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2ekx n SER 86 N -4.44 -1.12 0.47 1.67 7.64 -1.26 -4.67 113.62 111.90 2ekx n SER 86 Ca -0.30 -2.16 -0.20 0.00 1.01 0.00 0.00 58.87 57.23 2ekx n SER 86 Cb 0.62 1.97 -0.09 0.00 -1.01 0.00 0.00 64.21 65.70 2ekx n SER 86 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2ekx h ILE 87 N 1.65 0.14 0.00 0.44 5.03 -1.97 -2.21 117.51 120.59 2ekx h ILE 87 Ca -0.19 -0.02 -0.07 0.00 -0.12 0.00 0.00 64.86 64.46 2ekx h ILE 87 Cb 0.78 0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 34.70 2ekx h ILE 87 CO 0.25 0.00 -0.34 1.55 -0.68 0.00 0.00 178.15 178.93 2ekx h PRO 88 N -1.18 0.00 0.00 2.37 0.13 -2.00 -2.59 132.00 128.72 2ekx h PRO 88 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2ekx h PRO 88 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2ekx h PRO 88 CO 0.20 0.34 0.00 1.63 -0.23 0.00 0.00 178.00 179.94 2ekx n LYS 89 N -3.70 0.22 -0.09 0.86 4.01 -1.16 -2.90 118.16 115.41 2ekx n LYS 89 Ca -0.01 0.38 -0.23 0.00 -0.51 0.00 0.00 58.31 57.94 2ekx n LYS 89 Cb 0.44 -1.87 -0.12 0.00 -0.51 0.00 0.00 35.03 32.97 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 -2.28 2.01 -0.31 -0.35 0.00 -0.84 -4.12 117.00 111.10 2ekx n LEU 90 Ca 0.03 0.37 0.11 0.00 0.00 0.00 0.00 56.01 56.52 2ekx n LEU 90 Cb 0.28 -0.97 0.33 0.00 0.00 0.00 0.00 43.42 43.06 2ekx n LEU 90 CO 0.23 0.41 1.22 0.40 0.00 0.00 0.00 177.39 179.65 2ekx h ILE 91 N -0.83 0.84 -0.71 1.96 5.03 -1.53 0.56 117.51 122.83 2ekx h ILE 91 Ca -0.41 -0.27 0.04 0.00 -0.12 0.00 0.00 64.86 64.10 2ekx h ILE 91 Cb 1.46 -0.02 -0.04 0.00 -3.03 0.00 0.00 36.82 35.19 2ekx h ILE 91 CO -0.19 0.14 0.47 -0.74 -0.68 0.00 0.00 178.15 177.15 2ekx h HIS 92 N 0.79 0.80 0.00 1.37 -0.00 -1.71 -1.57 115.15 114.84 2ekx h HIS 92 Ca 0.49 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.83 2ekx h HIS 92 Cb 0.69 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 2ekx h HIS 92 CO -0.00 0.46 -0.18 -0.92 -0.00 0.00 0.00 177.93 177.28 2ekx h TYR 93 N 0.82 0.18 -0.46 5.26 3.20 -1.09 -3.33 116.97 121.56 2ekx h TYR 93 Ca 0.29 -0.10 0.09 0.00 3.14 0.00 0.00 58.73 62.15 2ekx h TYR 93 Cb 0.12 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.28 2ekx h TYR 93 CO -0.00 0.91 -0.09 0.45 -1.64 0.00 0.00 178.16 177.79 2ekx h HIS 94 N -0.60 -0.19 -1.27 -3.82 3.86 -0.97 0.16 115.15 112.32 2ekx h HIS 94 Ca -0.02 0.04 0.37 0.00 -1.16 0.00 0.00 60.37 59.59 2ekx h HIS 94 Cb 0.96 0.16 -0.06 0.00 1.06 0.00 0.00 27.41 29.53 2ekx h HIS 94 CO 0.19 -0.17 0.90 1.96 0.86 0.00 0.00 177.93 181.67 2ekx h GLN 95 N 0.02 0.03 0.00 2.45 1.08 -1.40 -1.25 115.11 116.05 2ekx h GLN 95 Ca 0.22 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.39 2ekx h GLN 95 Cb 0.34 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2ekx h GLN 95 CO -0.45 0.02 -0.24 0.45 -0.95 0.00 0.00 178.83 177.66 2ekx h HIS 96 N 0.03 0.00 -3.96 2.96 3.86 -0.84 -3.47 115.15 113.73 2ekx h HIS 96 Ca 0.61 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.48 2ekx h HIS 96 Cb 2.38 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 30.63 2ekx h HIS 96 CO -0.00 0.55 -0.76 0.54 0.86 0.00 0.00 177.93 179.12 2ekx s ASN 97 N -5.98 1.22 0.25 2.45 2.20 -0.47 -5.12 114.94 109.48 2ekx s ASN 97 Ca -0.13 -0.55 -0.26 0.00 -0.94 0.00 0.00 52.86 50.99 2ekx s ASN 97 Cb -0.00 -0.01 -0.09 0.00 -2.00 0.00 0.00 41.25 39.15 2ekx s ASN 97 CO 0.35 -0.12 0.87 -0.55 -2.94 0.00 0.00 177.10 174.71 2ekx s SER 98 N -1.53 7.39 1.08 3.54 0.15 -1.26 -3.95 113.70 119.13 2ekx s SER 98 Ca -0.06 1.76 -0.12 0.00 0.70 0.00 0.00 55.95 58.23 2ekx s SER 98 Cb -0.09 -2.54 0.17 0.00 -1.71 0.00 0.00 66.02 61.85 2ekx s SER 98 CO 0.01 0.08 0.79 0.00 1.20 0.00 0.00 173.24 175.31 2ekx n ALA 99 N 1.08 -1.63 -0.32 5.45 0.00 -1.07 -4.90 120.51 119.11 2ekx n ALA 99 Ca -0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 53.44 52.28 2ekx n ALA 99 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.47 -1.86 0.00 0.00 0.00 -1.26 -3.78 105.19 96.81 2ekx n GLY 100 Ca 0.10 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.04 2ekx n GLY 100 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2ekx n MET 101 N -5.08 2.48 -1.50 1.61 0.00 -1.26 -5.01 117.12 108.36 2ekx n MET 101 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.32 2ekx n MET 101 Cb 0.26 -0.82 -0.08 0.00 0.00 0.00 0.00 33.22 32.59 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 -1.38 0.04 -0.96 3.17 2.08 -1.25 -4.86 119.36 116.20 2ekx n ILE 102 Ca 0.00 -0.38 -0.36 0.00 0.56 0.00 0.00 62.75 62.57 2ekx n ILE 102 Cb 0.27 -1.74 0.05 0.00 -0.75 0.00 0.00 39.64 37.48 2ekx n ILE 102 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2ekx n THR 103 N 7.58 0.00 -2.57 1.39 5.66 -1.26 -2.60 114.28 122.47 2ekx n THR 103 Ca 0.47 -0.36 -0.41 0.00 -3.05 0.00 0.00 64.05 60.70 2ekx n THR 103 Cb 0.29 -0.10 -0.03 0.00 -1.55 0.00 0.00 70.33 68.93 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 -2.26 3.23 -0.44 1.09 3.52 -1.26 -4.65 118.95 118.17 2ekx s ARG 104 Ca 0.42 -0.21 -0.41 0.00 -0.13 0.00 0.00 55.73 55.40 2ekx s ARG 104 Cb -0.12 -4.16 -0.17 0.00 -1.56 0.00 0.00 34.95 28.93 2ekx s ARG 104 CO 0.77 -2.07 1.58 1.28 -0.81 0.00 0.00 175.30 176.05 2ekx n LEU 105 N 9.16 0.93 0.00 -0.88 4.77 -1.26 -4.87 117.00 124.84 2ekx n LEU 105 Ca 0.03 0.89 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 2ekx n LEU 105 Cb 0.49 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2ekx n LEU 105 CO 0.71 -0.72 0.00 -1.14 -1.33 0.00 0.00 177.39 174.91 2ekx n ARG 106 N 4.62 0.00 -3.97 3.23 0.63 -0.94 -4.74 116.66 115.50 2ekx n ARG 106 Ca 0.35 0.46 -0.10 0.00 -0.92 0.00 0.00 57.85 57.64 2ekx n ARG 106 Cb -0.05 -0.96 -0.12 0.00 0.45 0.00 0.00 32.46 31.78 2ekx n ARG 106 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2ekx s HIS 107 N -0.95 0.25 0.63 -0.14 3.76 -1.26 -4.92 115.29 112.66 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 -0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.50 2ekx s HIS 107 CO 0.00 -0.12 1.11 -1.25 -0.85 0.00 0.00 174.74 173.63 2ekx s PRO 108 N -1.06 2.93 -0.05 8.40 0.04 -1.26 -0.24 135.00 143.76 2ekx s PRO 108 Ca -0.11 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.30 2ekx s PRO 108 Cb -0.07 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2ekx s PRO 108 CO -0.01 -1.15 0.19 0.08 0.04 0.00 0.00 177.00 176.15 2ekx s VAL 109 N -2.21 0.02 0.00 -0.36 1.01 0.54 -4.77 120.40 114.62 2ekx s VAL 109 Ca 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2ekx s VAL 109 Cb -0.21 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2ekx s VAL 109 CO 0.38 -0.11 0.30 -0.24 0.00 0.00 0.00 175.10 175.43