#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekx n SER 2 N 0.00 0.27 -4.55 1.61 7.64 -1.26 -5.01 113.62 112.33 2ekx n SER 2 Ca 0.00 0.30 -0.36 0.00 1.01 0.00 0.00 58.87 59.82 2ekx n SER 2 Cb 0.00 0.11 -0.04 0.00 -1.01 0.00 0.00 64.21 63.27 2ekx n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ekx n SER 3 N -3.36 2.13 -3.85 6.43 7.64 -1.26 -4.89 113.62 116.47 2ekx n SER 3 Ca 0.00 -0.48 -0.17 0.00 1.01 0.00 0.00 58.87 59.23 2ekx n SER 3 Cb 0.03 -1.53 -0.09 0.00 -1.01 0.00 0.00 64.21 61.61 2ekx n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ekx s GLY 4 N 11.97 2.00 0.12 0.23 0.00 -1.26 -5.12 107.32 115.26 2ekx s GLY 4 Ca 1.01 -1.83 -0.31 0.00 0.00 0.00 0.00 44.72 43.59 2ekx s GLY 4 CO 0.28 -1.51 1.58 -0.56 0.00 0.00 0.00 173.10 172.89 2ekx s SER 5 N -3.32 6.62 0.08 1.64 0.01 -1.26 -4.87 113.70 112.60 2ekx s SER 5 Ca 0.38 2.53 -0.27 0.00 1.31 0.00 0.00 55.95 59.90 2ekx s SER 5 Cb 0.05 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.55 2ekx s SER 5 CO 0.19 -0.83 0.63 -0.24 0.41 0.00 0.00 173.24 173.41 2ekx n SER 6 N 4.59 -0.51 -4.42 2.44 2.88 -1.26 -4.83 113.62 112.51 2ekx n SER 6 Ca 0.14 0.91 -0.44 0.00 -1.33 0.00 0.00 58.87 58.16 2ekx n SER 6 Cb 0.40 -0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 2ekx n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ekx s GLY 7 N -0.41 1.63 0.43 0.46 0.00 -1.26 -4.90 107.32 103.28 2ekx s GLY 7 Ca 0.62 -1.98 0.09 0.00 0.00 0.00 0.00 44.72 43.45 2ekx s GLY 7 CO 0.45 1.74 2.06 1.41 0.00 0.00 0.00 173.10 178.76 2ekx h LEU 8 N 10.41 0.39 -0.82 0.66 3.38 -1.97 -2.05 115.31 125.31 2ekx h LEU 8 Ca -0.29 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.76 2ekx h LEU 8 Cb 1.08 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 2ekx h LEU 8 CO 1.10 0.28 0.47 -0.78 0.09 0.00 0.00 178.44 179.61 2ekx h ASP 9 N 0.46 0.70 -0.18 -0.43 1.82 -1.94 -2.99 116.42 113.85 2ekx h ASP 9 Ca 0.15 0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.85 2ekx h ASP 9 Cb 0.03 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 2ekx h ASP 9 CO -0.03 0.41 -0.20 0.44 -1.61 0.00 0.00 179.24 178.25 2ekx h ASP 10 N 0.82 -0.67 -2.07 2.28 5.19 -1.79 -3.42 116.42 116.76 2ekx h ASP 10 Ca 0.38 0.09 -0.52 0.00 -0.62 0.00 0.00 57.03 56.36 2ekx h ASP 10 Cb 0.31 0.28 0.24 0.00 0.18 0.00 0.00 39.33 40.33 2ekx h ASP 10 CO -0.23 -0.13 -1.74 -1.22 -3.12 0.00 0.00 179.24 172.80 2ekx n TYR 11 N -3.66 -3.17 -0.12 4.55 4.01 -1.13 -4.97 117.16 112.67 2ekx n TYR 11 Ca -0.01 0.20 -0.21 0.00 -0.16 0.00 0.00 57.90 57.72 2ekx n TYR 11 Cb 0.11 -1.50 -0.08 0.00 -0.31 0.00 0.00 39.34 37.57 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 2.01 1.94 -0.33 7.72 8.00 -1.26 -4.35 116.55 130.27 2ekx n ASP 12 Ca -0.00 0.36 0.35 0.00 0.71 0.00 0.00 54.79 56.21 2ekx n ASP 12 Cb 0.61 -0.81 0.64 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.00 -1.69 1.24 5.08 -1.89 -3.35 115.95 114.35 2ekx h TRP 13 Ca -0.42 0.00 -0.45 0.00 1.08 0.00 0.00 58.89 59.10 2ekx h TRP 13 Cb 1.34 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.49 2ekx h TRP 13 CO -0.18 0.00 1.41 0.12 -1.28 0.00 0.00 178.44 178.51 2ekx s PHE 14 N -4.66 1.36 -0.72 0.12 5.36 -1.26 -0.65 117.98 117.53 2ekx s PHE 14 Ca -0.04 1.21 0.01 0.00 -0.96 0.00 0.00 56.93 57.16 2ekx s PHE 14 Cb 0.19 -3.81 0.37 0.00 -0.34 0.00 0.00 43.02 39.42 2ekx s PHE 14 CO 0.65 -2.36 1.56 0.00 -1.46 0.00 0.00 175.22 173.60 2ekx n ALA 15 N 14.59 5.74 0.07 11.12 0.00 0.38 -4.77 120.51 147.64 2ekx n ALA 15 Ca 0.30 -4.35 0.01 0.00 0.00 0.00 0.00 53.44 49.39 2ekx n ALA 15 Cb 0.53 -1.40 0.33 0.00 0.00 0.00 0.00 19.45 18.91 2ekx n ALA 15 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ekx h GLY 16 N 3.08 0.39 -4.73 0.00 0.00 -1.79 -3.21 103.07 96.81 2ekx h GLY 16 Ca 0.42 -0.25 -0.51 0.00 0.00 0.00 0.00 47.33 46.99 2ekx h GLY 16 CO 1.12 0.23 1.99 0.70 0.00 0.00 0.00 176.54 180.58 2ekx n ASN 17 N -4.25 7.34 -3.23 0.19 3.02 -1.26 -4.26 115.26 112.81 2ekx n ASN 17 Ca 0.00 -2.68 -0.17 0.00 -0.03 0.00 0.00 54.58 51.69 2ekx n ASN 17 Cb 0.28 -1.46 -0.04 0.00 -0.61 0.00 0.00 39.78 37.95 2ekx n ASN 17 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2ekx n ILE 18 N 2.72 0.00 -4.33 2.41 -6.64 -1.21 -5.08 119.36 107.23 2ekx n ILE 18 Ca 0.62 -1.48 -0.21 0.00 -1.77 0.00 0.00 62.75 59.92 2ekx n ILE 18 Cb 0.48 0.44 -0.08 0.00 -1.44 0.00 0.00 39.64 39.04 2ekx n ILE 18 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2ekx n SER 19 N -1.51 -0.34 -0.09 7.28 2.88 -1.26 -4.93 113.62 115.64 2ekx n SER 19 Ca -0.07 -3.24 0.15 0.00 -1.33 0.00 0.00 58.87 54.37 2ekx n SER 19 Cb 0.39 1.58 0.54 0.00 -0.75 0.00 0.00 64.21 65.96 2ekx n SER 19 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2ekx h ARG 20 N 0.00 0.33 0.00 -1.46 0.11 -2.01 -0.38 114.38 110.96 2ekx h ARG 20 Ca -0.26 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.80 2ekx h ARG 20 Cb 1.23 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2ekx h ARG 20 CO 0.38 0.22 -0.12 0.77 0.10 0.00 0.00 179.97 181.32 2ekx h SER 21 N 0.34 0.00 -0.92 0.08 0.02 -2.01 -3.39 113.55 107.67 2ekx h SER 21 Ca 0.30 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.42 2ekx h SER 21 Cb 0.72 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.10 2ekx h SER 21 CO -0.08 0.30 -0.30 1.56 -1.14 0.00 0.00 176.83 177.18 2ekx h GLN 22 N -0.48 -0.02 -0.75 3.45 4.20 -1.94 0.28 115.11 119.86 2ekx h GLN 22 Ca 0.00 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.94 2ekx h GLN 22 Cb 0.12 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.77 2ekx h GLN 22 CO 0.00 -0.01 0.08 -1.13 -0.67 0.00 0.00 178.83 177.10 2ekx n SER 23 N -5.54 -0.03 -0.07 1.46 3.41 -0.16 -0.58 113.62 112.12 2ekx n SER 23 Ca 0.12 1.26 -0.06 0.00 -0.26 0.00 0.00 58.87 59.93 2ekx n SER 23 Cb 0.43 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.54 4.33 5.08 -0.70 -3.34 114.58 119.41 2ekx h GLU 24 Ca 0.48 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.89 2ekx h GLU 24 Cb 1.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 2ekx h GLU 24 CO -0.68 0.22 -0.32 1.04 -1.00 0.00 0.00 179.01 178.27 2ekx n GLN 25 N -4.64 -0.24 -0.12 2.33 1.13 -0.46 -1.50 117.38 113.88 2ekx n GLN 25 Ca -0.09 1.18 -0.04 0.00 -1.94 0.00 0.00 57.00 56.11 2ekx n GLN 25 Cb 0.26 -1.75 -0.03 0.00 0.11 0.00 0.00 30.24 28.83 2ekx n GLN 25 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2ekx h LEU 26 N 0.00 -0.73 -0.98 1.08 4.07 -1.06 0.24 115.31 117.93 2ekx h LEU 26 Ca 0.09 0.11 0.17 0.00 0.08 0.00 0.00 57.88 58.33 2ekx h LEU 26 Cb 0.22 0.32 -0.17 0.00 1.08 0.00 0.00 40.66 42.11 2ekx h LEU 26 CO -0.51 -0.10 -0.32 0.18 -1.08 0.00 0.00 178.44 176.62 2ekx n LEU 27 N -3.75 -0.51 0.06 1.67 4.77 -0.57 -0.02 117.00 118.66 2ekx n LEU 27 Ca 0.00 1.70 -0.12 0.00 -0.03 0.00 0.00 56.01 57.57 2ekx n LEU 27 Cb 0.10 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2ekx n LEU 27 CO -0.04 -1.58 0.83 0.03 -1.33 0.00 0.00 177.39 175.30 2ekx h ARG 28 N 0.00 -0.12 -0.84 3.23 3.08 0.05 -2.62 114.38 117.17 2ekx h ARG 28 Ca 0.40 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.67 2ekx h ARG 28 Cb 0.65 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.59 2ekx h ARG 28 CO -0.99 -0.08 0.20 1.96 -1.07 0.00 0.00 179.97 179.99 2ekx h GLN 29 N -0.12 0.21 -1.39 0.04 1.08 0.27 0.23 115.11 115.43 2ekx h GLN 29 Ca 0.01 -0.01 0.48 0.00 -1.45 0.00 0.00 58.65 57.68 2ekx h GLN 29 Cb 0.13 -0.05 -0.14 0.00 -0.05 0.00 0.00 27.48 27.37 2ekx h GLN 29 CO -0.04 0.14 0.90 -0.22 -0.95 0.00 0.00 178.83 178.66 2ekx h LYS 30 N 0.22 0.00 -1.94 1.46 1.63 -0.88 -3.44 116.57 113.62 2ekx h LYS 30 Ca 0.51 -0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.93 2ekx h LYS 30 Cb 0.99 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.55 2ekx h LYS 30 CO -0.63 0.00 -0.43 0.41 -3.45 0.00 0.00 179.45 175.35 2ekx n GLY 31 N -1.53 0.54 3.00 5.01 0.00 0.81 -4.98 105.19 108.04 2ekx n GLY 31 Ca 0.41 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.38 1.58 -0.44 1.61 1.02 -1.26 -5.10 119.74 112.78 2ekx s LYS 32 Ca 0.00 -0.36 -0.28 0.00 0.02 0.00 0.00 55.97 55.34 2ekx s LYS 32 Cb 0.00 -1.35 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 2ekx s LYS 32 CO 0.00 -0.01 1.54 -1.21 -0.92 0.00 0.00 175.35 174.75 2ekx s GLU 33 N 0.78 3.39 0.00 1.68 8.01 -1.26 -2.70 118.70 128.61 2ekx s GLU 33 Ca -0.13 0.93 0.00 0.00 0.01 0.00 0.00 54.97 55.79 2ekx s GLU 33 Cb -0.15 -4.11 0.00 0.00 -4.31 0.00 0.00 34.13 25.55 2ekx s GLU 33 CO 0.02 -1.80 0.00 0.41 0.01 0.00 0.00 175.26 173.90 2ekx n GLY 34 N 5.25 1.50 3.42 -1.39 0.00 -1.16 -4.73 105.19 108.08 2ekx n GLY 34 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.25 -2.16 4.61 0.00 -1.10 -2.80 120.51 116.80 2ekx n ALA 35 Ca 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.67 2ekx n ALA 35 Cb 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.21 0.92 0.31 0.00 -0.71 0.01 -0.00 117.98 117.30 2ekx s PHE 36 Ca 0.62 -1.21 -0.15 0.00 -1.04 0.00 0.00 56.93 55.15 2ekx s PHE 36 Cb -0.79 -0.52 0.06 0.00 -1.21 0.00 0.00 43.02 40.56 2ekx s PHE 36 CO 0.58 -0.48 0.77 0.00 -1.34 0.00 0.00 175.22 174.76 2ekx n MET 37 N -0.12 0.92 -3.62 1.99 0.00 -0.15 0.13 117.12 116.26 2ekx n MET 37 Ca -0.05 -1.84 -0.19 0.00 0.00 0.00 0.00 57.70 55.61 2ekx n MET 37 Cb 0.64 2.34 -0.16 0.00 0.00 0.00 0.00 33.22 36.04 2ekx n MET 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2ekx s VAL 38 N -2.17 -0.23 0.23 3.17 1.01 0.17 -2.60 120.40 119.99 2ekx s VAL 38 Ca 0.16 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.39 2ekx s VAL 38 Cb -0.04 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2ekx s VAL 38 CO 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 175.10 175.13 2ekx s ARG 39 N 2.26 2.15 -0.02 2.72 1.70 0.32 0.14 118.95 128.22 2ekx s ARG 39 Ca 0.04 -1.38 -0.21 0.00 -0.47 0.00 0.00 55.73 53.70 2ekx s ARG 39 Cb -0.14 -2.13 -0.05 0.00 -0.57 0.00 0.00 34.95 32.06 2ekx s ARG 39 CO -0.07 0.39 0.62 0.54 -1.08 0.00 0.00 175.30 175.70 2ekx s ASN 40 N -3.31 6.97 0.87 -2.89 6.03 -1.26 -0.23 114.94 121.12 2ekx s ASN 40 Ca 0.29 1.16 -0.15 0.00 -1.03 0.00 0.00 52.86 53.13 2ekx s ASN 40 Cb -0.07 -2.38 -0.03 0.00 -3.03 0.00 0.00 41.25 35.74 2ekx s ASN 40 CO 0.18 0.05 0.21 -0.24 -2.03 0.00 0.00 177.10 175.26 2ekx n SER 41 N 3.00 -2.57 -4.67 3.54 2.88 -0.18 -4.86 113.62 110.77 2ekx n SER 41 Ca -0.05 0.40 -0.38 0.00 -1.33 0.00 0.00 58.87 57.50 2ekx n SER 41 Cb 0.51 -1.12 -0.07 0.00 -0.75 0.00 0.00 64.21 62.78 2ekx n SER 41 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ekx s SER 42 N -1.62 6.48 -1.78 -3.46 0.01 -1.26 -4.08 113.70 107.99 2ekx s SER 42 Ca 0.57 0.57 0.00 0.00 1.31 0.00 0.00 55.95 58.40 2ekx s SER 42 Cb -0.26 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2ekx s SER 42 CO 0.67 -0.10 0.00 0.00 0.41 0.00 0.00 173.24 174.23 2ekx n GLN 43 N 4.50 -1.69 -3.74 12.44 6.02 -1.26 -4.95 117.38 128.69 2ekx n GLN 43 Ca -0.07 1.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.78 2ekx n GLN 43 Cb 0.51 -5.59 -0.09 0.00 1.02 0.00 0.00 30.24 26.09 2ekx n GLN 43 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2ekx s VAL 44 N -2.90 0.03 -0.19 5.09 1.01 -1.26 -5.04 120.40 117.14 2ekx s VAL 44 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2ekx s VAL 44 Cb 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.83 2ekx s VAL 44 CO 0.00 -0.13 2.40 0.61 0.00 0.00 0.00 175.10 177.98 2ekx n GLY 45 N 1.97 3.48 3.68 4.51 0.00 -1.26 -4.32 105.19 113.25 2ekx n GLY 45 Ca -0.18 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.79 2.07 0.10 1.61 -1.94 -1.26 -5.03 119.30 114.05 2ekx s MET 46 Ca 0.32 -2.14 0.09 0.00 -1.71 0.00 0.00 55.69 52.25 2ekx s MET 46 Cb 0.20 -1.68 -0.04 0.00 2.01 0.00 0.00 34.83 35.33 2ekx s MET 46 CO -0.04 -0.16 -0.22 0.71 -0.01 0.00 0.00 175.02 175.30 2ekx s TYR 47 N -2.74 2.43 -0.09 -0.03 2.02 -1.26 -1.01 117.35 116.67 2ekx s TYR 47 Ca 0.28 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.66 2ekx s TYR 47 Cb 0.07 -1.34 0.03 0.00 -0.40 0.00 0.00 41.96 40.31 2ekx s TYR 47 CO 0.15 0.31 -0.05 0.99 -1.57 0.00 0.00 175.55 175.38 2ekx s THR 48 N -1.02 0.79 -0.60 -0.71 2.01 0.67 -0.71 115.64 116.06 2ekx s THR 48 Ca 0.15 -0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 2ekx s THR 48 Cb -0.10 -0.85 0.12 0.00 0.01 0.00 0.00 72.50 71.67 2ekx s THR 48 CO 0.07 0.32 0.68 -0.69 -0.69 0.00 0.00 174.62 174.31 2ekx s VAL 49 N 1.72 4.94 -0.13 3.82 1.01 0.07 -0.52 120.40 131.30 2ekx s VAL 49 Ca 0.03 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 2ekx s VAL 49 Cb -0.13 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2ekx s VAL 49 CO -0.06 -1.08 0.08 -0.44 0.00 0.00 0.00 175.10 173.59 2ekx s SER 50 N 3.56 5.84 0.06 3.32 0.01 -1.07 -0.53 113.70 124.88 2ekx s SER 50 Ca 0.11 0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.60 2ekx s SER 50 Cb -0.24 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 2ekx s SER 50 CO 0.04 0.33 0.01 -1.48 0.41 0.00 0.00 173.24 172.56 2ekx s LEU 51 N -0.57 2.28 0.04 2.44 0.05 -0.25 -0.98 118.68 121.69 2ekx s LEU 51 Ca 0.11 -0.92 -0.01 0.00 0.05 0.00 0.00 54.13 53.36 2ekx s LEU 51 Cb -0.12 0.36 -0.04 0.00 -2.05 0.00 0.00 46.19 44.34 2ekx s LEU 51 CO 0.02 -0.62 0.19 0.12 -0.55 0.00 0.00 176.35 175.51 2ekx s PHE 52 N -3.86 3.49 -0.22 3.48 5.36 1.00 -1.34 117.98 125.89 2ekx s PHE 52 Ca 0.06 0.27 -0.27 0.00 -0.96 0.00 0.00 56.93 56.03 2ekx s PHE 52 Cb 0.07 -1.77 0.11 0.00 -0.34 0.00 0.00 43.02 41.09 2ekx s PHE 52 CO -0.10 0.60 0.95 0.45 -1.46 0.00 0.00 175.22 175.66 2ekx s SER 53 N -2.29 -0.48 -0.22 6.13 0.15 -1.11 -3.01 113.70 112.87 2ekx s SER 53 Ca 0.32 0.77 -0.06 0.00 0.70 0.00 0.00 55.95 57.67 2ekx s SER 53 Cb -0.13 0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 2ekx s SER 53 CO 0.24 -0.27 0.03 -0.54 1.20 0.00 0.00 173.24 173.91 2ekx s LYS 54 N -0.32 3.65 0.90 5.44 1.02 -1.26 -1.71 119.74 127.45 2ekx s LYS 54 Ca -0.00 -0.49 -0.15 0.00 0.02 0.00 0.00 55.97 55.34 2ekx s LYS 54 Cb -0.03 -3.20 0.22 0.00 -0.52 0.00 0.00 37.83 34.30 2ekx s LYS 54 CO -0.01 -0.07 0.94 0.00 -0.92 0.00 0.00 175.35 175.29 2ekx n ALA 55 N 4.54 -2.13 -2.60 5.17 0.00 -1.26 -4.93 120.51 119.30 2ekx n ALA 55 Ca -0.17 -1.33 -0.41 0.00 0.00 0.00 0.00 53.44 51.53 2ekx n ALA 55 Cb 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 2ekx n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ekx s VAL 56 N -2.86 3.89 -0.35 0.00 0.11 -1.26 -3.83 120.40 116.09 2ekx s VAL 56 Ca 0.58 -0.16 -0.00 0.00 -2.93 0.00 0.00 61.98 59.47 2ekx s VAL 56 Cb -0.04 -4.94 -0.00 0.00 -1.53 0.00 0.00 36.38 29.87 2ekx s VAL 56 CO 0.43 -1.84 0.30 -3.20 -3.33 0.00 0.00 175.10 167.45 2ekx n ASN 57 N 8.94 -2.11 -4.20 3.54 5.15 -1.26 -5.07 115.26 120.25 2ekx n ASN 57 Ca 0.14 -0.19 -0.28 0.00 -0.60 0.00 0.00 54.58 53.66 2ekx n ASN 57 Cb 0.49 -1.88 -0.06 0.00 -0.53 0.00 0.00 39.78 37.81 2ekx n ASN 57 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2ekx n ASP 58 N -1.66 2.68 -3.76 1.20 9.92 -1.25 -5.13 116.55 118.55 2ekx n ASP 58 Ca -0.08 -3.00 -0.21 0.00 -0.53 0.00 0.00 54.79 50.97 2ekx n ASP 58 Cb 0.55 0.50 0.13 0.00 -0.64 0.00 0.00 41.12 41.66 2ekx n ASP 58 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ekx n LYS 59 N -1.06 -1.77 -0.12 -1.24 5.02 -1.26 -4.63 118.16 113.11 2ekx n LYS 59 Ca -0.15 -0.52 0.25 0.00 -2.02 0.00 0.00 58.31 55.87 2ekx n LYS 59 Cb 0.57 -1.43 0.51 0.00 -0.02 0.00 0.00 35.03 34.67 2ekx n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2ekx h LYS 60 N -2.38 0.00 0.00 1.97 1.57 -2.00 -3.42 116.57 112.30 2ekx h LYS 60 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2ekx h LYS 60 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2ekx h LYS 60 CO 0.18 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.47 2ekx n GLY 61 N -1.65 3.41 3.81 3.86 0.00 -1.26 -4.82 105.19 108.54 2ekx n GLY 61 Ca 0.18 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2ekx n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ekx s THR 62 N 0.00 4.79 -0.22 2.61 -4.23 -0.69 -4.86 115.64 113.04 2ekx s THR 62 Ca 0.00 1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 61.53 2ekx s THR 62 Cb 0.00 -3.87 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 2ekx s THR 62 CO 0.00 0.55 0.29 -0.69 -0.54 0.00 0.00 174.62 174.24 2ekx s VAL 63 N -1.07 5.27 -0.07 2.29 1.01 -1.26 -2.76 120.40 123.81 2ekx s VAL 63 Ca 0.28 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.67 2ekx s VAL 63 Cb -0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2ekx s VAL 63 CO 0.18 0.29 0.17 -0.54 0.00 0.00 0.00 175.10 175.20 2ekx s LYS 64 N 1.22 3.47 -0.17 2.72 3.01 -0.45 -4.95 119.74 124.58 2ekx s LYS 64 Ca 0.14 -0.17 0.01 0.00 -1.01 0.00 0.00 55.97 54.93 2ekx s LYS 64 Cb -0.14 -3.15 0.03 0.00 -1.01 0.00 0.00 37.83 33.56 2ekx s LYS 64 CO 0.06 0.73 -0.13 -3.38 0.51 0.00 0.00 175.35 173.14 2ekx s HIS 65 N -1.15 2.33 -0.44 3.18 -3.43 -1.26 -1.09 115.29 113.43 2ekx s HIS 65 Ca 0.20 -1.41 -0.08 0.00 -0.80 0.00 0.00 55.06 52.97 2ekx s HIS 65 Cb -0.12 -1.65 0.11 0.00 -1.43 0.00 0.00 32.58 29.49 2ekx s HIS 65 CO 0.10 -0.71 0.29 0.71 -2.00 0.00 0.00 174.74 173.13 2ekx s TYR 66 N 1.43 3.43 0.00 0.38 1.51 0.31 -4.94 117.35 119.47 2ekx s TYR 66 Ca 0.03 -1.88 -0.30 0.00 -1.01 0.00 0.00 57.07 53.90 2ekx s TYR 66 Cb -0.14 -3.29 -0.05 0.00 -0.11 0.00 0.00 41.96 38.37 2ekx s TYR 66 CO -0.10 -0.95 1.36 -1.01 -1.11 0.00 0.00 175.55 173.74 2ekx s HIS 67 N 1.34 2.96 -0.23 2.71 3.76 -1.26 -0.75 115.29 123.82 2ekx s HIS 67 Ca 0.05 0.92 -0.29 0.00 -0.15 0.00 0.00 55.06 55.59 2ekx s HIS 67 Cb -0.25 -3.61 -0.04 0.00 1.11 0.00 0.00 32.58 29.79 2ekx s HIS 67 CO -0.01 -2.20 1.85 0.08 -0.85 0.00 0.00 174.74 173.61 2ekx s VAL 68 N 2.20 3.40 0.44 -0.90 1.01 0.11 -4.91 120.40 121.75 2ekx s VAL 68 Ca 0.62 0.43 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 2ekx s VAL 68 Cb -0.31 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2ekx s VAL 68 CO 0.26 -0.24 0.69 -1.00 0.00 0.00 0.00 175.10 174.81 2ekx s HIS 69 N 6.37 3.42 0.22 5.22 3.76 -1.18 -4.63 115.29 128.47 2ekx s HIS 69 Ca 0.82 0.49 0.11 0.00 -0.15 0.00 0.00 55.06 56.34 2ekx s HIS 69 Cb -0.28 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 2ekx s HIS 69 CO 0.33 -0.23 -0.18 0.99 -0.85 0.00 0.00 174.74 174.80 2ekx s THR 70 N -2.58 2.64 0.46 1.30 2.01 -1.26 -2.53 115.64 115.68 2ekx s THR 70 Ca 0.46 -2.04 0.04 0.00 0.31 0.00 0.00 61.69 60.46 2ekx s THR 70 Cb -0.10 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.04 2ekx s THR 70 CO 0.40 -0.21 0.02 0.21 -0.69 0.00 0.00 174.62 174.35 2ekx s ASN 71 N -2.99 4.03 0.21 3.53 2.47 -0.07 -4.90 114.94 117.22 2ekx s ASN 71 Ca 0.25 -1.49 -0.18 0.00 0.42 0.00 0.00 52.86 51.86 2ekx s ASN 71 Cb -0.07 0.04 0.21 0.00 -1.45 0.00 0.00 41.25 39.98 2ekx s ASN 71 CO 0.13 -0.65 1.57 0.00 -3.72 0.00 0.00 177.10 174.43 2ekx h ALA 72 N 1.54 0.12 -0.11 1.71 0.00 -2.02 0.53 119.26 121.04 2ekx h ALA 72 Ca -0.44 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2ekx h ALA 72 Cb 1.28 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 2ekx h ALA 72 CO 0.77 -0.62 0.09 0.39 0.00 0.00 0.00 179.25 179.88 2ekx n GLU 73 N -5.47 1.18 -2.23 0.00 1.02 -1.26 -4.74 120.64 109.15 2ekx n GLU 73 Ca 0.08 -0.35 -0.03 0.00 -0.02 0.00 0.00 57.16 56.83 2ekx n GLU 73 Cb 0.39 -1.14 -0.00 0.00 -0.02 0.00 0.00 31.44 30.66 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 1.23 -1.65 -4.70 1.62 5.03 0.18 -4.85 115.26 112.13 2ekx n ASN 74 Ca 0.07 0.35 -0.42 0.00 0.87 0.00 0.00 54.58 55.45 2ekx n ASN 74 Cb 0.52 -1.57 -0.03 0.00 -1.02 0.00 0.00 39.78 37.68 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2ekx s LYS 75 N -4.50 4.51 -0.12 3.52 1.02 -1.23 -4.69 119.74 118.25 2ekx s LYS 75 Ca 0.00 1.42 -0.17 0.00 0.02 0.00 0.00 55.97 57.24 2ekx s LYS 75 Cb 0.00 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2ekx s LYS 75 CO 0.00 -0.15 0.43 -0.51 -0.92 0.00 0.00 175.35 174.19 2ekx s LEU 76 N 1.38 4.29 -0.08 3.17 1.43 -1.23 -0.89 118.68 126.74 2ekx s LEU 76 Ca 0.51 0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 54.28 2ekx s LEU 76 Cb -0.20 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.43 2ekx s LEU 76 CO 0.24 0.05 0.23 -0.72 0.23 0.00 0.00 176.35 176.39 2ekx s TYR 77 N 0.43 -0.24 -0.17 0.29 1.13 -1.05 -2.68 117.35 115.07 2ekx s TYR 77 Ca 0.24 0.57 0.08 0.00 -1.41 0.00 0.00 57.07 56.54 2ekx s TYR 77 Cb -0.15 0.08 -0.23 0.00 -1.10 0.00 0.00 41.96 40.57 2ekx s TYR 77 CO 0.09 -0.14 0.18 1.28 -2.51 0.00 0.00 175.55 174.45 2ekx n LEU 78 N 2.81 1.46 -4.35 -3.49 4.77 -1.26 -3.11 117.00 113.83 2ekx n LEU 78 Ca -0.14 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.62 2ekx n LEU 78 Cb 0.58 -0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 41.28 2ekx n LEU 78 CO 0.19 0.65 -0.49 0.00 -1.33 0.00 0.00 177.39 176.42 2ekx s ALA 79 N -2.53 2.48 0.26 -1.18 0.00 -1.26 -4.96 121.76 114.56 2ekx s ALA 79 Ca -0.18 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 2ekx s ALA 79 Cb 0.07 -1.00 0.43 0.00 0.00 0.00 0.00 23.12 22.63 2ekx s ALA 79 CO 0.76 0.36 1.60 0.93 0.00 0.00 0.00 175.76 179.40 2ekx h GLU 80 N 6.28 0.02 -1.86 0.00 5.08 -2.01 0.45 114.58 122.55 2ekx h GLU 80 Ca -0.30 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.92 2ekx h GLU 80 Cb 1.20 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2ekx h GLU 80 CO 0.52 0.02 0.10 0.09 -1.00 0.00 0.00 179.01 178.74 2ekx n ASN 81 N -5.49 5.72 -3.60 1.42 4.13 -1.26 -4.80 115.26 111.38 2ekx n ASN 81 Ca 0.14 -2.65 -0.15 0.00 1.68 0.00 0.00 54.58 53.61 2ekx n ASN 81 Cb 0.48 -1.14 -0.06 0.00 -1.54 0.00 0.00 39.78 37.52 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 -0.52 -0.43 -0.27 3.10 1.51 0.16 -5.13 117.35 115.77 2ekx s TYR 82 Ca 0.18 0.57 -0.23 0.00 -1.01 0.00 0.00 57.07 56.58 2ekx s TYR 82 Cb 0.12 0.31 0.07 0.00 -0.11 0.00 0.00 41.96 42.35 2ekx s TYR 82 CO -0.01 -0.59 0.72 0.00 -1.11 0.00 0.00 175.55 174.56 2ekx n PHE 84 N 3.07 -0.66 -0.05 0.00 3.01 -1.09 -5.04 117.46 116.70 2ekx n PHE 84 Ca -0.15 -1.54 -0.05 0.00 1.01 0.00 0.00 57.45 56.72 2ekx n PHE 84 Cb 0.56 0.22 -0.07 0.00 -0.01 0.00 0.00 39.48 40.18 2ekx n PHE 84 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2ekx n ASP 85 N -2.10 2.76 -4.32 4.37 9.92 -1.26 -3.58 116.55 122.33 2ekx n ASP 85 Ca 0.03 -0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.10 2ekx n ASP 85 Cb 0.35 0.69 -0.10 0.00 -0.64 0.00 0.00 41.12 41.42 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2ekx s SER 86 N -4.16 2.49 0.00 -2.24 0.01 -1.26 -4.71 113.70 103.83 2ekx s SER 86 Ca -0.05 -0.95 -0.24 0.00 1.31 0.00 0.00 55.95 56.02 2ekx s SER 86 Cb 0.03 -0.13 -0.15 0.00 0.21 0.00 0.00 66.02 65.98 2ekx s SER 86 CO 0.37 -0.14 1.08 0.40 0.41 0.00 0.00 173.24 175.36 2ekx h ILE 87 N 2.87 0.28 0.00 1.44 2.04 -1.96 -3.02 117.51 119.17 2ekx h ILE 87 Ca -0.39 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2ekx h ILE 87 Cb 1.21 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2ekx h ILE 87 CO 0.58 0.05 0.00 -0.81 0.00 0.00 0.00 178.15 177.97 2ekx n PRO 88 N -5.25 0.49 0.03 2.37 -0.04 -1.26 -2.01 135.00 129.32 2ekx n PRO 88 Ca -0.10 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.47 2ekx n PRO 88 Cb 0.31 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 2ekx n PRO 88 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2ekx n LYS 89 N -0.96 0.53 -0.10 0.54 4.81 -1.15 -4.18 118.16 117.65 2ekx n LYS 89 Ca 0.11 -0.04 -0.23 0.00 -0.87 0.00 0.00 58.31 57.27 2ekx n LYS 89 Cb 0.05 -1.63 -0.12 0.00 0.02 0.00 0.00 35.03 33.35 2ekx n LYS 89 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2ekx n LEU 90 N -2.29 1.99 -0.33 3.14 0.00 -0.85 -4.27 117.00 114.39 2ekx n LEU 90 Ca -0.01 0.37 0.18 0.00 0.00 0.00 0.00 56.01 56.56 2ekx n LEU 90 Cb 0.52 -0.96 0.39 0.00 0.00 0.00 0.00 43.42 43.37 2ekx n LEU 90 CO 0.43 0.40 1.12 0.40 0.00 0.00 0.00 177.39 179.74 2ekx h ILE 91 N -0.85 0.45 -0.88 1.96 1.08 -1.76 0.55 117.51 118.06 2ekx h ILE 91 Ca -0.41 -0.16 0.23 0.00 -0.39 0.00 0.00 64.86 64.13 2ekx h ILE 91 Cb 1.45 -0.05 -0.15 0.00 -3.07 0.00 0.00 36.82 35.00 2ekx h ILE 91 CO -0.20 0.08 0.11 -0.74 -0.69 0.00 0.00 178.15 176.71 2ekx h HIS 92 N 0.46 0.12 0.54 1.37 2.76 -1.74 0.38 115.15 119.04 2ekx h HIS 92 Ca 0.65 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.85 2ekx h HIS 92 Cb 1.31 0.09 0.01 0.00 1.55 0.00 0.00 27.41 30.36 2ekx h HIS 92 CO -0.04 -0.29 -0.26 -0.92 -1.30 0.00 0.00 177.93 175.12 2ekx h TYR 93 N 0.12 -0.67 -1.14 5.26 3.20 -1.11 -3.05 116.97 119.56 2ekx h TYR 93 Ca 0.53 -0.02 0.33 0.00 3.14 0.00 0.00 58.73 62.71 2ekx h TYR 93 Cb 1.05 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.48 2ekx h TYR 93 CO -0.38 -0.42 0.81 0.45 -1.64 0.00 0.00 178.16 176.98 2ekx h HIS 94 N -0.96 0.14 -0.31 -3.82 3.86 -1.29 -0.07 115.15 112.70 2ekx h HIS 94 Ca -0.07 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.21 2ekx h HIS 94 Cb 0.56 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.92 2ekx h HIS 94 CO 0.04 0.01 -0.17 0.37 0.86 0.00 0.00 177.93 179.04 2ekx h GLN 95 N 0.08 -0.12 0.03 2.45 -0.00 -0.17 -2.98 115.11 114.40 2ekx h GLN 95 Ca 0.57 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 59.22 2ekx h GLN 95 Cb 2.09 0.03 0.00 0.00 0.00 0.00 0.00 27.48 29.60 2ekx h GLN 95 CO -0.07 -0.08 -0.01 0.45 0.00 0.00 0.00 178.83 179.12 2ekx h HIS 96 N -0.12 -0.03 -2.91 3.99 3.86 -1.09 -3.39 115.15 115.46 2ekx h HIS 96 Ca 0.16 -0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.17 2ekx h HIS 96 Cb 0.37 0.01 -0.31 0.00 1.06 0.00 0.00 27.41 28.54 2ekx h HIS 96 CO -0.37 0.65 -0.50 0.54 0.86 0.00 0.00 177.93 179.12 2ekx s ASN 97 N -5.88 0.07 0.60 2.45 2.20 -0.81 -4.99 114.94 108.57 2ekx s ASN 97 Ca -0.16 0.59 0.09 0.00 -0.94 0.00 0.00 52.86 52.44 2ekx s ASN 97 Cb -0.01 0.60 0.10 0.00 -2.00 0.00 0.00 41.25 39.94 2ekx s ASN 97 CO 0.63 -0.21 0.83 -0.44 -2.94 0.00 0.00 177.10 174.97 2ekx s SER 98 N 1.93 4.98 0.30 3.54 0.01 -1.20 -3.78 113.70 119.49 2ekx s SER 98 Ca -0.03 -0.87 -0.07 0.00 1.31 0.00 0.00 55.95 56.29 2ekx s SER 98 Cb -0.11 0.40 -0.00 0.00 0.21 0.00 0.00 66.02 66.52 2ekx s SER 98 CO -0.09 -1.45 0.46 0.00 0.41 0.00 0.00 173.24 172.58 2ekx s ALA 99 N -2.73 0.38 0.00 1.44 0.00 -1.25 -4.96 121.76 114.63 2ekx s ALA 99 Ca 0.63 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2ekx s ALA 99 Cb -0.05 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.19 2ekx s ALA 99 CO 0.40 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2ekx n GLY 100 N -0.48 0.81 0.32 0.00 0.00 -1.26 -2.22 105.19 102.36 2ekx n GLY 100 Ca -0.00 -0.80 0.19 0.00 0.00 0.00 0.00 46.02 45.41 2ekx n GLY 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ekx h MET 101 N 0.00 0.00 -6.36 1.61 2.86 -2.01 -3.42 114.93 107.61 2ekx h MET 101 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 2ekx h MET 101 Cb 0.00 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.68 2ekx h MET 101 CO 0.00 0.00 1.21 -0.89 1.06 0.00 0.00 176.91 178.29 2ekx n ILE 102 N -3.43 0.72 -3.15 -1.22 5.41 -0.94 -4.96 119.36 111.79 2ekx n ILE 102 Ca -0.03 -0.13 -0.39 0.00 1.00 0.00 0.00 62.75 63.20 2ekx n ILE 102 Cb 0.08 -2.26 -0.06 0.00 -0.71 0.00 0.00 39.64 36.69 2ekx n ILE 102 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2ekx s THR 103 N 4.27 4.62 1.00 1.39 2.01 -1.26 -3.93 115.64 123.73 2ekx s THR 103 Ca 0.89 1.42 -0.18 0.00 0.31 0.00 0.00 61.69 64.13 2ekx s THR 103 Cb -0.47 -4.00 -0.15 0.00 0.01 0.00 0.00 72.50 67.89 2ekx s THR 103 CO 0.43 0.52 -0.84 -2.11 -0.69 0.00 0.00 174.62 171.93 2ekx n ARG 104 N 1.82 -0.01 -3.30 4.92 0.00 -1.26 -4.86 116.66 113.96 2ekx n ARG 104 Ca -0.08 -0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.35 2ekx n ARG 104 Cb 0.50 -1.03 -0.01 0.00 -0.00 0.00 0.00 32.46 31.92 2ekx n ARG 104 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2ekx n LEU 105 N 3.34 5.44 -0.36 2.89 4.77 -1.26 -4.84 117.00 126.99 2ekx n LEU 105 Ca -0.02 -5.14 0.02 0.00 -0.03 0.00 0.00 56.01 50.84 2ekx n LEU 105 Cb 0.58 -1.29 0.09 0.00 -2.33 0.00 0.00 43.42 40.46 2ekx n LEU 105 CO 0.52 1.54 0.63 -0.09 -1.33 0.00 0.00 177.39 178.66 2ekx h ARG 106 N 5.99 -0.01 -1.91 3.23 9.65 -1.81 -3.43 114.38 126.10 2ekx h ARG 106 Ca 0.18 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 2ekx h ARG 106 Cb 0.77 0.00 -0.20 0.00 -1.39 0.00 0.00 29.97 29.15 2ekx h ARG 106 CO 1.07 -0.01 0.25 -1.01 2.80 0.00 0.00 179.97 183.08 2ekx s HIS 107 N -6.10 -0.62 0.73 2.20 3.76 -1.26 -4.95 115.29 109.05 2ekx s HIS 107 Ca -0.14 1.17 -0.12 0.00 -0.15 0.00 0.00 55.06 55.81 2ekx s HIS 107 Cb 0.23 0.39 0.04 0.00 1.11 0.00 0.00 32.58 34.35 2ekx s HIS 107 CO 0.74 -0.51 1.10 -1.25 -0.85 0.00 0.00 174.74 173.97 2ekx s PRO 108 N -0.88 2.46 -0.04 8.40 0.04 -1.26 -0.81 135.00 142.91 2ekx s PRO 108 Ca -0.07 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 2ekx s PRO 108 Cb -0.01 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.63 2ekx s PRO 108 CO 0.06 -1.50 0.09 0.08 0.04 0.00 0.00 177.00 175.77 2ekx s VAL 109 N -2.68 -0.02 0.00 -0.36 1.01 0.34 -4.68 120.40 114.00 2ekx s VAL 109 Ca 0.63 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2ekx s VAL 109 Cb -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2ekx s VAL 109 CO 0.50 0.03 0.50 -1.54 0.00 0.00 0.00 175.10 174.59