#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 6.27 -0.79 1.61 0.15 -1.26 -5.02 113.70 114.67 2ekx s SER 2 Ca 0.00 -2.04 -0.23 0.00 0.70 0.00 0.00 55.95 54.38 2ekx s SER 2 Cb 0.00 -2.19 0.07 0.00 -1.71 0.00 0.00 66.02 62.19 2ekx s SER 2 CO 0.00 -0.77 1.15 -0.44 1.20 0.00 0.00 173.24 174.38 2ekx s SER 3 N 3.12 6.31 0.00 5.45 0.01 -1.26 -4.83 113.70 122.51 2ekx s SER 3 Ca 0.07 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2ekx s SER 3 Cb -0.25 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2ekx s SER 3 CO -0.00 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 172.78 2ekx n GLY 4 N 5.62 0.24 3.98 3.44 0.00 -1.26 -5.07 105.19 112.14 2ekx n GLY 4 Ca 0.09 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 2ekx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ekx s SER 5 N -4.00 5.04 0.22 1.61 0.01 -1.26 -5.13 113.70 110.19 2ekx s SER 5 Ca 0.00 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 2ekx s SER 5 Cb 0.00 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 2ekx s SER 5 CO 0.00 -1.33 0.17 -0.55 0.41 0.00 0.00 173.24 171.94 2ekx s SER 6 N -4.51 0.29 0.00 2.44 0.15 -1.26 -5.10 113.70 105.71 2ekx s SER 6 Ca 0.60 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2ekx s SER 6 Cb -0.09 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2ekx s SER 6 CO 0.40 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2ekx n GLY 7 N -0.31 3.38 0.07 9.45 0.00 -1.26 -4.96 105.19 111.55 2ekx n GLY 7 Ca 0.02 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 2.02 -0.18 0.99 4.77 -1.26 -4.61 117.00 118.73 2ekx n LEU 8 Ca 0.00 -0.06 -0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2ekx n LEU 8 Cb 0.00 -0.27 0.08 0.00 -2.33 0.00 0.00 43.42 40.90 2ekx n LEU 8 CO 0.00 0.61 0.84 -2.24 -1.33 0.00 0.00 177.39 175.27 2ekx h ASP 9 N 0.00 -0.24 -0.77 -1.43 3.04 -1.95 -1.57 116.42 113.51 2ekx h ASP 9 Ca -0.34 0.14 0.18 0.00 -3.24 0.00 0.00 57.03 53.77 2ekx h ASP 9 Cb 1.60 0.24 -0.14 0.00 -1.04 0.00 0.00 39.33 39.99 2ekx h ASP 9 CO -0.03 -0.09 -0.09 -0.67 -2.04 0.00 0.00 179.24 176.31 2ekx n ASP 10 N -5.26 -0.19 -3.16 4.15 2.03 -1.26 -4.38 116.55 108.48 2ekx n ASP 10 Ca 0.07 1.31 -0.21 0.00 0.52 0.00 0.00 54.79 56.48 2ekx n ASP 10 Cb 0.31 -0.43 0.20 0.00 -0.72 0.00 0.00 41.12 40.48 2ekx n ASP 10 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2ekx n TYR 11 N -5.17 -3.29 -0.03 -0.67 4.01 -0.59 -5.03 117.16 106.39 2ekx n TYR 11 Ca 0.15 -0.58 -0.07 0.00 -0.16 0.00 0.00 57.90 57.24 2ekx n TYR 11 Cb 0.48 -0.85 -0.02 0.00 -0.31 0.00 0.00 39.34 38.64 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 -4.87 0.98 -0.34 7.72 8.00 -1.26 -4.67 116.55 122.11 2ekx n ASP 12 Ca 0.10 0.15 0.25 0.00 0.71 0.00 0.00 54.79 56.00 2ekx n ASP 12 Cb 0.41 -0.36 0.49 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 -0.34 0.91 -1.89 1.24 5.08 -1.85 -3.38 115.95 115.72 2ekx h TRP 13 Ca -0.14 0.04 -0.55 0.00 1.08 0.00 0.00 58.89 59.32 2ekx h TRP 13 Cb 0.85 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 26.77 2ekx h TRP 13 CO -0.08 -0.21 1.53 0.12 -1.28 0.00 0.00 178.44 178.53 2ekx s PHE 14 N -5.64 1.15 -0.10 0.12 5.36 -1.26 -1.63 117.98 115.99 2ekx s PHE 14 Ca -0.10 0.89 -0.16 0.00 -0.96 0.00 0.00 56.93 56.60 2ekx s PHE 14 Cb 0.31 -3.82 -0.28 0.00 -0.34 0.00 0.00 43.02 38.89 2ekx s PHE 14 CO 0.79 -3.52 0.58 0.00 -1.46 0.00 0.00 175.22 171.61 2ekx h ALA 15 N 16.55 0.16 0.00 11.12 0.00 -1.43 -3.46 119.26 142.19 2ekx h ALA 15 Ca -0.35 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.50 2ekx h ALA 15 Cb 1.25 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2ekx h ALA 15 CO 1.03 0.80 0.00 0.41 0.00 0.00 0.00 179.25 181.50 2ekx n GLY 16 N 1.74 0.37 3.58 0.00 0.00 -1.21 -4.92 105.19 104.75 2ekx n GLY 16 Ca -0.24 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 6.17 0.10 1.61 3.84 -1.26 -1.87 114.94 119.52 2ekx s ASN 17 Ca 0.00 0.26 0.04 0.00 0.21 0.00 0.00 52.86 53.37 2ekx s ASN 17 Cb 0.00 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.12 2ekx s ASN 17 CO 0.00 -1.68 -0.11 0.27 -2.79 0.00 0.00 177.10 172.79 2ekx s ILE 18 N 5.92 0.98 0.11 -5.21 -4.36 -1.26 -5.02 121.20 112.36 2ekx s ILE 18 Ca 0.51 -1.62 -0.04 0.00 -0.26 0.00 0.00 60.65 59.24 2ekx s ILE 18 Cb -0.10 -1.35 -0.05 0.00 1.25 0.00 0.00 42.46 42.20 2ekx s ILE 18 CO 0.25 -0.53 0.32 -0.55 0.24 0.00 0.00 174.94 174.68 2ekx s SER 19 N -2.40 6.46 0.39 4.36 0.15 -1.26 -4.81 113.70 116.59 2ekx s SER 19 Ca 0.05 0.50 0.26 0.00 0.70 0.00 0.00 55.95 57.47 2ekx s SER 19 Cb -0.04 -2.06 1.37 0.00 -1.71 0.00 0.00 66.02 63.59 2ekx s SER 19 CO 0.00 0.10 1.50 0.54 1.20 0.00 0.00 173.24 176.58 2ekx n ARG 20 N 0.21 -0.04 -0.03 5.44 1.74 -1.26 0.11 116.66 122.83 2ekx n ARG 20 Ca -0.04 1.25 -0.13 0.00 -0.77 0.00 0.00 57.85 58.17 2ekx n ARG 20 Cb 0.52 -2.37 -0.08 0.00 -1.02 0.00 0.00 32.46 29.51 2ekx n ARG 20 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ekx h SER 21 N 0.00 0.15 0.63 0.55 0.87 -2.00 -3.15 113.55 110.59 2ekx h SER 21 Ca 0.83 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 2ekx h SER 21 Cb 2.48 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 64.40 2ekx h SER 21 CO -0.57 0.52 -0.30 1.56 -0.53 0.00 0.00 176.83 177.51 2ekx h GLN 22 N -0.22 -0.81 -0.77 2.24 7.50 0.41 -0.92 115.11 122.54 2ekx h GLN 22 Ca 0.02 0.06 0.28 0.00 0.50 0.00 0.00 58.65 59.50 2ekx h GLN 22 Cb 0.46 0.18 -0.14 0.00 0.05 0.00 0.00 27.48 28.03 2ekx h GLN 22 CO 0.01 -0.50 0.24 -1.13 -1.50 0.00 0.00 178.83 175.95 2ekx n SER 23 N -5.36 0.11 -0.05 1.46 3.41 0.41 0.67 113.62 114.27 2ekx n SER 23 Ca -0.12 1.30 -0.15 0.00 -0.26 0.00 0.00 58.87 59.64 2ekx n SER 23 Cb 0.36 -0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 63.62 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 0.06 -0.15 4.33 5.08 -1.49 -3.27 114.58 119.13 2ekx h GLU 24 Ca 0.58 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.87 2ekx h GLU 24 Cb 1.40 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 2ekx h GLU 24 CO -0.65 0.97 -0.19 0.37 -1.00 0.00 0.00 179.01 178.50 2ekx h GLN 25 N -0.81 -0.12 -0.46 2.33 4.15 0.17 0.11 115.11 120.48 2ekx h GLN 25 Ca -0.02 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.45 2ekx h GLN 25 Cb 1.02 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.68 2ekx h GLN 25 CO 0.02 -0.08 -0.33 -0.07 -1.93 0.00 0.00 178.83 176.44 2ekx h LEU 26 N -0.12 -1.19 -0.51 -2.39 3.38 -1.37 -0.28 115.31 112.83 2ekx h LEU 26 Ca 0.03 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2ekx h LEU 26 Cb 0.19 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 2ekx h LEU 26 CO -0.21 -0.17 -0.54 -0.07 0.09 0.00 0.00 178.44 177.55 2ekx h LEU 27 N -0.08 -1.84 -0.61 1.67 3.38 -1.52 -1.47 115.31 114.84 2ekx h LEU 27 Ca 0.07 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.38 2ekx h LEU 27 Cb 0.27 0.77 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 2ekx h LEU 27 CO -0.47 -0.37 -0.47 0.03 0.09 0.00 0.00 178.44 177.25 2ekx h ARG 28 N -0.32 -0.21 -0.85 1.13 3.08 0.26 0.87 114.38 118.33 2ekx h ARG 28 Ca 0.10 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.37 2ekx h ARG 28 Cb 0.57 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 30.52 2ekx h ARG 28 CO -0.65 -0.14 -0.01 1.96 -1.07 0.00 0.00 179.97 180.05 2ekx h GLN 29 N -0.22 0.07 -0.95 0.04 1.08 -0.04 0.56 115.11 115.63 2ekx h GLN 29 Ca 0.17 -0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.52 2ekx h GLN 29 Cb 0.56 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.88 2ekx h GLN 29 CO -0.71 0.04 0.56 -0.22 -0.95 0.00 0.00 178.83 177.56 2ekx h LYS 30 N 0.07 0.78 -6.34 1.46 1.63 -0.30 -3.46 116.57 110.41 2ekx h LYS 30 Ca 0.47 -0.05 -0.47 0.00 -0.85 0.00 0.00 60.65 59.76 2ekx h LYS 30 Cb 0.87 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 2ekx h LYS 30 CO -0.77 0.52 -0.86 0.41 -3.45 0.00 0.00 179.45 175.30 2ekx n GLY 31 N -1.33 -0.27 2.60 5.01 0.00 0.19 -4.95 105.19 106.44 2ekx n GLY 31 Ca 0.20 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.35 1.01 -0.53 1.61 -0.14 -1.26 -5.08 119.74 109.00 2ekx s LYS 32 Ca 0.07 -1.79 -0.38 0.00 -1.36 0.00 0.00 55.97 52.51 2ekx s LYS 32 Cb -0.03 -1.91 -0.18 0.00 -1.68 0.00 0.00 37.83 34.03 2ekx s LYS 32 CO 0.86 -1.20 2.02 -0.85 -0.76 0.00 0.00 175.35 175.42 2ekx n GLU 33 N 3.65 0.00 0.00 1.68 0.00 -1.26 -0.78 120.64 123.93 2ekx n GLU 33 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.28 2ekx n GLU 33 Cb 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 31.44 30.45 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ekx n GLY 34 N 6.64 1.66 3.58 -1.84 0.00 -1.15 -4.86 105.19 109.22 2ekx n GLY 34 Ca 0.51 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.16 -2.43 4.61 0.00 0.04 -0.72 120.51 121.85 2ekx n ALA 35 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 2ekx n ALA 35 Cb 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.34 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 -1.24 0.49 0.13 0.00 -0.12 0.29 -0.79 117.98 116.74 2ekx s PHE 36 Ca 0.62 -0.90 -0.24 0.00 -0.05 0.00 0.00 56.93 56.35 2ekx s PHE 36 Cb -0.60 -0.23 0.07 0.00 -0.63 0.00 0.00 43.02 41.63 2ekx s PHE 36 CO 0.58 -0.57 0.70 0.00 -0.05 0.00 0.00 175.22 175.87 2ekx s MET 37 N -3.96 1.21 -0.17 1.99 0.23 -1.20 0.15 119.30 117.55 2ekx s MET 37 Ca 0.15 -0.48 -0.00 0.00 -1.03 0.00 0.00 55.69 54.32 2ekx s MET 37 Cb 0.06 0.53 0.04 0.00 -1.53 0.00 0.00 34.83 33.93 2ekx s MET 37 CO -0.03 -0.53 -0.07 0.08 -2.03 0.00 0.00 175.02 172.44 2ekx s VAL 38 N -3.59 1.21 0.37 5.16 1.01 -0.65 -2.17 120.40 121.74 2ekx s VAL 38 Ca 0.03 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.41 2ekx s VAL 38 Cb -0.01 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2ekx s VAL 38 CO -0.10 0.16 0.44 0.00 0.00 0.00 0.00 175.10 175.60 2ekx s ARG 39 N 1.59 2.85 -0.12 2.72 1.70 0.91 -1.47 118.95 127.13 2ekx s ARG 39 Ca 0.01 -1.23 -0.01 0.00 -0.47 0.00 0.00 55.73 54.03 2ekx s ARG 39 Cb -0.15 -2.65 -0.02 0.00 -0.57 0.00 0.00 34.95 31.56 2ekx s ARG 39 CO -0.08 -0.06 -0.09 0.54 -1.08 0.00 0.00 175.30 174.53 2ekx s ASN 40 N -4.17 4.42 0.61 -2.89 2.20 -0.78 -1.76 114.94 112.56 2ekx s ASN 40 Ca 0.47 -0.19 -0.14 0.00 -0.94 0.00 0.00 52.86 52.05 2ekx s ASN 40 Cb -0.08 -1.56 -0.03 0.00 -2.00 0.00 0.00 41.25 37.58 2ekx s ASN 40 CO 0.30 0.21 1.05 -0.55 -2.94 0.00 0.00 177.10 175.17 2ekx s SER 41 N 0.10 5.76 0.15 3.54 0.15 -1.10 -4.55 113.70 117.75 2ekx s SER 41 Ca -0.03 1.74 -0.30 0.00 0.70 0.00 0.00 55.95 58.06 2ekx s SER 41 Cb -0.14 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 2ekx s SER 41 CO 0.04 -1.19 1.56 0.28 1.20 0.00 0.00 173.24 175.13 2ekx h SER 42 N 0.17 -1.71 -2.63 5.45 0.02 -1.99 -3.37 113.55 109.49 2ekx h SER 42 Ca -0.46 0.25 -0.56 0.00 -0.84 0.00 0.00 61.79 60.18 2ekx h SER 42 Cb 1.21 0.73 -0.02 0.00 0.14 0.00 0.00 62.40 64.47 2ekx h SER 42 CO 0.58 -0.37 1.15 -1.10 -1.14 0.00 0.00 176.83 175.95 2ekx s GLN 43 N -5.73 3.89 -0.24 3.45 -0.21 -1.26 -4.90 119.66 114.67 2ekx s GLN 43 Ca -0.14 1.92 -0.35 0.00 0.02 0.00 0.00 55.36 56.80 2ekx s GLN 43 Cb 0.11 -4.05 -0.12 0.00 1.00 0.00 0.00 33.01 29.94 2ekx s GLN 43 CO 0.64 -1.19 2.01 0.28 -2.12 0.00 0.00 175.29 174.90 2ekx n VAL 44 N 6.16 0.36 0.00 1.09 0.31 -1.26 -2.44 118.33 122.55 2ekx n VAL 44 Ca 0.19 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2ekx n VAL 44 Cb 0.44 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 2ekx n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ekx n GLY 45 N 5.32 4.11 3.88 2.92 0.00 -1.26 -5.12 105.19 115.04 2ekx n GLY 45 Ca 0.31 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 3.12 0.34 1.61 1.00 -1.02 -5.02 119.30 119.34 2ekx s MET 46 Ca 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 55.69 56.19 2ekx s MET 46 Cb 0.00 -2.05 0.01 0.00 0.00 0.00 0.00 34.83 32.79 2ekx s MET 46 CO 0.00 -0.86 0.51 0.71 0.00 0.00 0.00 175.02 175.39 2ekx s TYR 47 N -3.28 0.92 -0.25 -0.03 1.51 -1.26 -2.69 117.35 112.27 2ekx s TYR 47 Ca 0.57 -1.21 -0.19 0.00 -1.01 0.00 0.00 57.07 55.23 2ekx s TYR 47 Cb -0.11 0.04 0.07 0.00 -0.11 0.00 0.00 41.96 41.85 2ekx s TYR 47 CO 0.52 -1.18 0.63 0.99 -1.11 0.00 0.00 175.55 175.40 2ekx s THR 48 N -3.00 -0.00 -0.44 -0.71 2.01 -0.72 -3.55 115.64 109.22 2ekx s THR 48 Ca 0.28 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.25 2ekx s THR 48 Cb -0.01 -0.90 0.12 0.00 0.01 0.00 0.00 72.50 71.72 2ekx s THR 48 CO 0.19 0.00 0.26 -0.69 -0.69 0.00 0.00 174.62 173.69 2ekx s VAL 49 N 0.85 3.58 -0.52 3.82 1.01 -0.53 -0.06 120.40 128.54 2ekx s VAL 49 Ca -0.04 -2.04 -0.16 0.00 0.00 0.00 0.00 61.98 59.74 2ekx s VAL 49 Cb -0.05 -3.42 0.11 0.00 0.00 0.00 0.00 36.38 33.03 2ekx s VAL 49 CO -0.07 -0.73 0.47 -0.44 0.00 0.00 0.00 175.10 174.34 2ekx s SER 50 N 2.00 6.18 0.01 3.32 0.01 -0.92 -2.54 113.70 121.75 2ekx s SER 50 Ca 0.08 -1.65 0.05 0.00 1.31 0.00 0.00 55.95 55.74 2ekx s SER 50 Cb -0.24 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 2ekx s SER 50 CO -0.03 -0.80 -0.14 -1.48 0.41 0.00 0.00 173.24 171.19 2ekx s LEU 51 N 1.63 2.78 0.22 2.44 0.05 -1.16 -3.25 118.68 121.39 2ekx s LEU 51 Ca 0.03 -0.30 -0.22 0.00 0.05 0.00 0.00 54.13 53.69 2ekx s LEU 51 Cb -0.28 -1.61 -0.08 0.00 -2.05 0.00 0.00 46.19 42.17 2ekx s LEU 51 CO 0.04 0.28 0.76 0.12 -0.55 0.00 0.00 176.35 177.01 2ekx s PHE 52 N -0.90 3.73 -0.21 3.48 2.19 0.03 -2.22 117.98 124.07 2ekx s PHE 52 Ca 0.15 1.51 -0.27 0.00 0.33 0.00 0.00 56.93 58.64 2ekx s PHE 52 Cb -0.11 -2.70 0.10 0.00 -1.31 0.00 0.00 43.02 39.01 2ekx s PHE 52 CO 0.05 0.38 0.90 -1.54 1.83 0.00 0.00 175.22 176.84 2ekx s SER 53 N -1.49 -0.53 -0.16 6.13 1.04 -1.12 -2.94 113.70 114.64 2ekx s SER 53 Ca 0.41 0.85 -0.13 0.00 0.48 0.00 0.00 55.95 57.57 2ekx s SER 53 Cb -0.19 0.81 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 2ekx s SER 53 CO 0.23 -0.29 0.26 -0.54 0.98 0.00 0.00 173.24 173.87 2ekx s LYS 54 N -0.30 4.18 0.88 4.02 1.02 -1.26 -1.92 119.74 126.36 2ekx s LYS 54 Ca -0.01 0.04 -0.11 0.00 0.02 0.00 0.00 55.97 55.91 2ekx s LYS 54 Cb -0.03 -3.40 0.18 0.00 -0.52 0.00 0.00 37.83 34.05 2ekx s LYS 54 CO -0.00 0.30 1.21 0.00 -0.92 0.00 0.00 175.35 175.94 2ekx s ALA 55 N 0.29 2.75 -0.95 5.17 0.00 -1.25 -4.94 121.76 122.83 2ekx s ALA 55 Ca 0.15 -1.40 0.15 0.00 0.00 0.00 0.00 51.96 50.86 2ekx s ALA 55 Cb -0.13 -2.50 0.63 0.00 0.00 0.00 0.00 23.12 21.13 2ekx s ALA 55 CO 0.03 -2.11 1.47 1.55 0.00 0.00 0.00 175.76 176.70 2ekx n VAL 56 N -3.45 1.02 0.03 0.00 3.14 -1.26 -3.94 118.33 113.88 2ekx n VAL 56 Ca 0.15 0.26 -0.01 0.00 -2.96 0.00 0.00 64.34 61.78 2ekx n VAL 56 Cb 0.60 -1.04 -0.00 0.00 -1.06 0.00 0.00 33.84 32.34 2ekx n VAL 56 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2ekx n ASN 57 N -1.58 0.97 -4.43 6.55 5.15 -1.26 -4.99 115.26 115.68 2ekx n ASN 57 Ca 0.03 0.13 -0.50 0.00 -0.60 0.00 0.00 54.58 53.64 2ekx n ASN 57 Cb 0.17 -0.31 -0.09 0.00 -0.53 0.00 0.00 39.78 39.03 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 -3.47 1.68 -0.01 1.20 9.92 -1.25 -4.81 116.55 119.80 2ekx n ASP 58 Ca -0.02 0.34 -0.16 0.00 -0.53 0.00 0.00 54.79 54.42 2ekx n ASP 58 Cb 0.13 -1.19 -0.11 0.00 -0.64 0.00 0.00 41.12 39.32 2ekx n ASP 58 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2ekx h LYS 59 N 12.45 0.35 -0.03 -1.24 1.57 -1.94 -3.33 116.57 124.39 2ekx h LYS 59 Ca -0.21 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 2ekx h LYS 59 Cb 1.33 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 2ekx h LYS 59 CO 1.09 1.03 -0.02 0.87 -0.57 0.00 0.00 179.45 181.85 2ekx h LYS 60 N -0.20 0.07 0.00 3.15 1.57 -1.98 -3.50 116.57 115.69 2ekx h LYS 60 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2ekx h LYS 60 Cb 1.18 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2ekx h LYS 60 CO 0.09 0.50 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 2ekx n GLY 61 N 0.12 3.96 3.04 3.86 0.00 -1.25 -4.96 105.19 109.95 2ekx n GLY 61 Ca -0.08 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.29 -0.03 -0.08 2.61 2.01 -0.81 -5.00 115.64 112.05 2ekx s THR 62 Ca 0.00 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.91 2ekx s THR 62 Cb 0.00 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 2ekx s THR 62 CO 0.00 0.05 0.60 -0.69 -0.69 0.00 0.00 174.62 173.89 2ekx s VAL 63 N 0.95 5.09 0.12 3.82 1.01 -1.26 -2.78 120.40 127.34 2ekx s VAL 63 Ca -0.07 1.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.14 2ekx s VAL 63 Cb -0.08 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2ekx s VAL 63 CO -0.06 0.30 0.29 -0.54 0.00 0.00 0.00 175.10 175.09 2ekx s LYS 64 N 0.62 3.48 -0.16 2.72 3.01 -0.94 -4.98 119.74 123.49 2ekx s LYS 64 Ca 0.32 -0.40 0.01 0.00 -1.01 0.00 0.00 55.97 54.89 2ekx s LYS 64 Cb -0.17 -2.96 0.02 0.00 -1.01 0.00 0.00 37.83 33.71 2ekx s LYS 64 CO 0.15 0.53 -0.18 -3.38 0.51 0.00 0.00 175.35 172.98 2ekx s HIS 65 N -1.65 2.53 -0.12 3.18 -3.43 -1.26 -2.97 115.29 111.56 2ekx s HIS 65 Ca 0.36 -1.42 0.00 0.00 -0.80 0.00 0.00 55.06 53.20 2ekx s HIS 65 Cb -0.12 -1.77 -0.02 0.00 -1.43 0.00 0.00 32.58 29.24 2ekx s HIS 65 CO 0.28 -0.71 -0.13 0.71 -2.00 0.00 0.00 174.74 172.88 2ekx s TYR 66 N 1.24 2.80 0.16 0.38 2.02 -1.05 -4.97 117.35 117.93 2ekx s TYR 66 Ca 0.02 -0.58 -0.05 0.00 -0.37 0.00 0.00 57.07 56.09 2ekx s TYR 66 Cb -0.13 -1.82 -0.06 0.00 -0.40 0.00 0.00 41.96 39.55 2ekx s TYR 66 CO -0.10 -0.16 0.41 -1.58 -1.57 0.00 0.00 175.55 172.55 2ekx s HIS 67 N 0.22 3.47 -0.31 2.71 2.46 -1.26 -1.45 115.29 121.12 2ekx s HIS 67 Ca -0.08 0.60 -0.07 0.00 0.47 0.00 0.00 55.06 55.97 2ekx s HIS 67 Cb -0.15 -2.04 0.02 0.00 -0.13 0.00 0.00 32.58 30.27 2ekx s HIS 67 CO 0.05 0.40 0.09 0.08 -2.47 0.00 0.00 174.74 172.89 2ekx s VAL 68 N -1.70 3.98 0.19 0.89 1.01 -1.23 -4.67 120.40 118.87 2ekx s VAL 68 Ca 0.42 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 2ekx s VAL 68 Cb -0.12 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 2ekx s VAL 68 CO 0.24 0.01 0.58 -1.00 0.00 0.00 0.00 175.10 174.94 2ekx s HIS 69 N 1.49 3.55 -0.12 5.22 3.76 -1.16 -4.57 115.29 123.45 2ekx s HIS 69 Ca 0.02 1.06 -0.02 0.00 -0.15 0.00 0.00 55.06 55.96 2ekx s HIS 69 Cb -0.18 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.11 2ekx s HIS 69 CO 0.03 0.35 -0.05 0.99 -0.85 0.00 0.00 174.74 175.22 2ekx s THR 70 N -1.60 3.86 0.70 1.30 2.01 -1.26 -3.33 115.64 117.31 2ekx s THR 70 Ca 0.42 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 2ekx s THR 70 Cb -0.14 -2.65 0.10 0.00 0.01 0.00 0.00 72.50 69.82 2ekx s THR 70 CO 0.20 0.54 0.98 0.21 -0.69 0.00 0.00 174.62 175.85 2ekx s ASN 71 N -0.14 4.56 0.29 3.53 2.47 -0.74 -4.85 114.94 120.06 2ekx s ASN 71 Ca 0.03 -0.04 0.01 0.00 0.42 0.00 0.00 52.86 53.27 2ekx s ASN 71 Cb -0.13 -0.49 0.53 0.00 -1.45 0.00 0.00 41.25 39.70 2ekx s ASN 71 CO 0.03 -1.71 1.88 0.00 -3.72 0.00 0.00 177.10 173.58 2ekx h ALA 72 N -0.50 1.51 -0.19 1.71 0.00 -2.00 1.00 119.26 120.78 2ekx h ALA 72 Ca -0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2ekx h ALA 72 Cb 1.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2ekx h ALA 72 CO 0.47 0.32 0.01 0.39 0.00 0.00 0.00 179.25 180.44 2ekx n GLU 73 N -4.53 2.20 -3.47 0.00 1.02 -1.26 -4.85 120.64 109.76 2ekx n GLU 73 Ca 0.16 -1.01 -0.20 0.00 -0.02 0.00 0.00 57.16 56.08 2ekx n GLU 73 Cb 0.25 -1.72 0.08 0.00 -0.02 0.00 0.00 31.44 30.03 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 0.19 -4.50 -4.65 1.62 3.02 0.34 -4.97 115.26 106.32 2ekx n ASN 74 Ca 0.10 -0.54 -0.39 0.00 -0.03 0.00 0.00 54.58 53.71 2ekx n ASN 74 Cb 0.58 -4.84 -0.07 0.00 -0.61 0.00 0.00 39.78 34.84 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 -5.86 4.14 -0.10 3.52 1.02 -1.25 -4.78 119.74 116.44 2ekx s LYS 75 Ca 0.33 0.37 -0.14 0.00 0.02 0.00 0.00 55.97 56.56 2ekx s LYS 75 Cb -0.15 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 2ekx s LYS 75 CO 0.69 -0.22 0.34 -0.51 -0.92 0.00 0.00 175.35 174.73 2ekx s LEU 76 N 1.89 4.34 0.29 3.17 1.43 -1.26 -1.79 118.68 126.75 2ekx s LEU 76 Ca 0.23 0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 53.84 2ekx s LEU 76 Cb -0.15 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.63 2ekx s LEU 76 CO 0.09 0.20 0.70 -0.72 0.23 0.00 0.00 176.35 176.85 2ekx s TYR 77 N -0.20 -0.07 -0.16 0.29 1.13 -1.21 -3.22 117.35 113.91 2ekx s TYR 77 Ca 0.20 -0.40 0.03 0.00 -1.41 0.00 0.00 57.07 55.48 2ekx s TYR 77 Cb -0.14 0.66 -0.11 0.00 -1.10 0.00 0.00 41.96 41.26 2ekx s TYR 77 CO 0.08 -1.25 -0.12 1.28 -2.51 0.00 0.00 175.55 173.03 2ekx n LEU 78 N -0.46 2.58 -4.21 -3.49 4.77 -1.26 -3.00 117.00 111.92 2ekx n LEU 78 Ca -0.04 -0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.51 2ekx n LEU 78 Cb 0.59 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 2ekx n LEU 78 CO 0.18 0.71 -0.35 0.00 -1.33 0.00 0.00 177.39 176.59 2ekx s ALA 79 N -2.32 2.84 0.21 -1.18 0.00 -1.26 -4.85 121.76 115.20 2ekx s ALA 79 Ca -0.19 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 49.93 2ekx s ALA 79 Cb 0.05 -1.92 0.16 0.00 0.00 0.00 0.00 23.12 21.41 2ekx s ALA 79 CO 0.39 -1.09 1.55 0.93 0.00 0.00 0.00 175.76 177.54 2ekx h GLU 80 N 8.06 -0.03 -0.96 0.00 5.08 -1.97 0.57 114.58 125.32 2ekx h GLU 80 Ca -0.26 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 58.47 2ekx h GLU 80 Cb 1.09 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.20 2ekx h GLU 80 CO 0.56 -0.02 0.56 0.09 -1.00 0.00 0.00 179.01 179.20 2ekx n ASN 81 N -5.42 0.25 -4.66 1.42 4.13 -1.26 -4.36 115.26 105.35 2ekx n ASN 81 Ca 0.08 1.31 -0.25 0.00 1.68 0.00 0.00 54.58 57.39 2ekx n ASN 81 Cb 0.37 -0.64 -0.09 0.00 -1.54 0.00 0.00 39.78 37.88 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 -5.17 2.56 0.02 3.10 2.02 0.20 -5.15 117.35 114.93 2ekx s TYR 82 Ca -0.07 -0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 56.09 2ekx s TYR 82 Cb 0.28 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 2ekx s TYR 82 CO 0.67 0.40 0.06 0.00 -1.57 0.00 0.00 175.55 175.10 2ekx n PHE 84 N 1.26 0.26 -0.01 0.00 3.01 -1.20 -5.04 117.46 115.74 2ekx n PHE 84 Ca -0.22 -1.34 -0.21 0.00 1.01 0.00 0.00 57.45 56.68 2ekx n PHE 84 Cb 0.56 -0.06 -0.14 0.00 -0.01 0.00 0.00 39.48 39.84 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 -1.57 2.10 -3.03 4.37 2.03 -1.26 -4.13 116.55 115.06 2ekx n ASP 85 Ca -0.06 0.23 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 2ekx n ASP 85 Cb 0.32 -0.87 -0.01 0.00 -0.72 0.00 0.00 41.12 39.84 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ekx s SER 86 N -7.02 0.64 0.00 1.67 0.01 -1.26 -4.27 113.70 103.47 2ekx s SER 86 Ca -0.23 -1.40 -0.25 0.00 1.31 0.00 0.00 55.95 55.38 2ekx s SER 86 Cb 0.07 0.75 -0.15 0.00 0.21 0.00 0.00 66.02 66.90 2ekx s SER 86 CO 0.75 -1.48 1.12 0.40 0.41 0.00 0.00 173.24 174.44 2ekx h ILE 87 N 2.05 0.40 0.00 1.44 2.04 -1.97 -2.96 117.51 118.51 2ekx h ILE 87 Ca -0.30 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2ekx h ILE 87 Cb 1.24 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2ekx h ILE 87 CO 0.40 0.07 0.00 -0.81 0.00 0.00 0.00 178.15 177.81 2ekx n PRO 88 N -5.22 0.49 -0.05 2.37 -0.04 -1.26 -2.25 135.00 129.04 2ekx n PRO 88 Ca -0.10 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.30 2ekx n PRO 88 Cb 0.30 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.95 0.66 0.12 0.54 3.00 -1.13 -3.86 118.16 116.54 2ekx n LYS 89 Ca 0.11 0.11 -0.24 0.00 -0.00 0.00 0.00 58.31 58.29 2ekx n LYS 89 Cb 0.05 -1.65 -0.16 0.00 0.00 0.00 0.00 35.03 33.27 2ekx n LYS 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2ekx h LEU 90 N 0.00 0.76 0.70 3.14 6.46 -1.30 -3.36 115.31 121.71 2ekx h LEU 90 Ca -0.36 -0.88 -0.03 0.00 -0.12 0.00 0.00 57.88 56.48 2ekx h LEU 90 Cb 1.97 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 41.66 2ekx h LEU 90 CO 0.05 1.71 -0.34 0.40 -0.62 0.00 0.00 178.44 179.64 2ekx h ILE 91 N 0.13 0.29 -1.70 4.05 1.08 -1.74 -2.22 117.51 117.40 2ekx h ILE 91 Ca -0.27 -0.06 0.49 0.00 -0.39 0.00 0.00 64.86 64.62 2ekx h ILE 91 Cb 2.14 0.31 -0.07 0.00 -3.07 0.00 0.00 36.82 36.13 2ekx h ILE 91 CO 0.24 0.01 1.34 1.57 -0.69 0.00 0.00 178.15 180.62 2ekx n HIS 92 N -5.48 0.00 -0.03 1.37 -0.00 -1.25 -0.87 115.22 108.96 2ekx n HIS 92 Ca -0.14 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.03 2ekx n HIS 92 Cb 0.39 -0.43 -0.00 0.00 -0.12 0.00 0.00 29.99 29.83 2ekx n HIS 92 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2ekx h TYR 93 N 0.00 0.00 -1.11 1.57 0.05 -1.58 -3.34 116.97 112.56 2ekx h TYR 93 Ca 0.81 0.00 0.32 0.00 0.05 0.00 0.00 58.73 59.91 2ekx h TYR 93 Cb 3.47 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 41.17 2ekx h TYR 93 CO 0.00 0.00 1.10 0.45 -1.05 0.00 0.00 178.16 178.66 2ekx h HIS 94 N -0.60 0.00 -1.07 4.88 3.86 -0.42 0.20 115.15 121.99 2ekx h HIS 94 Ca 0.00 0.00 0.32 0.00 -1.16 0.00 0.00 60.37 59.53 2ekx h HIS 94 Cb 0.10 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.44 2ekx h HIS 94 CO -0.04 0.00 0.65 1.96 0.86 0.00 0.00 177.93 181.36 2ekx h GLN 95 N 0.00 0.33 0.00 2.45 4.20 -1.28 -3.32 115.11 117.49 2ekx h GLN 95 Ca 0.53 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.22 2ekx h GLN 95 Cb 2.72 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 30.43 2ekx h GLN 95 CO -0.01 0.22 0.00 0.72 -0.67 0.00 0.00 178.83 179.09 2ekx n HIS 96 N -4.86 0.00 -1.04 2.96 8.25 0.69 -4.52 115.22 116.70 2ekx n HIS 96 Ca 0.30 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.52 2ekx n HIS 96 Cb 1.01 0.00 0.20 0.00 1.12 0.00 0.00 29.99 32.31 2ekx n HIS 96 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2ekx n ASN 97 N -2.22 -1.64 -3.68 0.41 3.02 -1.18 -4.90 115.26 105.07 2ekx n ASN 97 Ca 0.00 -1.08 -0.10 0.00 -0.03 0.00 0.00 54.58 53.37 2ekx n ASN 97 Cb 0.00 -0.81 -0.11 0.00 -0.61 0.00 0.00 39.78 38.25 2ekx n ASN 97 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ekx s SER 98 N -4.01 -0.35 -0.07 6.41 1.04 -1.26 -4.34 113.70 111.12 2ekx s SER 98 Ca 0.58 0.89 -0.02 0.00 0.48 0.00 0.00 55.95 57.87 2ekx s SER 98 Cb -0.05 0.95 -0.03 0.00 0.10 0.00 0.00 66.02 66.98 2ekx s SER 98 CO 0.44 -0.21 0.02 0.00 0.98 0.00 0.00 173.24 174.47 2ekx s ALA 99 N 1.89 3.38 0.00 5.32 0.00 -1.26 -4.97 121.76 126.12 2ekx s ALA 99 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2ekx s ALA 99 Cb -0.10 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2ekx s ALA 99 CO -0.12 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2ekx n GLY 100 N 1.94 1.20 2.56 0.00 0.00 -1.26 -2.89 105.19 106.74 2ekx n GLY 100 Ca -0.18 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 1.63 3.27 -3.91 1.61 0.00 -1.26 -4.90 117.12 113.56 2ekx n MET 101 Ca 0.00 -3.00 -0.35 0.00 0.00 0.00 0.00 57.70 54.35 2ekx n MET 101 Cb 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 33.22 30.77 2ekx n MET 101 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2ekx s ILE 102 N -2.57 3.18 0.68 2.02 -1.09 -1.14 -5.09 121.20 117.17 2ekx s ILE 102 Ca 0.55 -0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 57.97 2ekx s ILE 102 Cb 0.33 -2.57 -0.07 0.00 -1.58 0.00 0.00 42.46 38.57 2ekx s ILE 102 CO -0.21 0.24 0.38 0.41 -1.23 0.00 0.00 174.94 174.53 2ekx n THR 103 N 4.74 1.59 -2.59 2.92 -1.04 -1.26 -4.57 114.28 114.06 2ekx n THR 103 Ca -0.17 -0.44 -0.43 0.00 -2.04 0.00 0.00 64.05 60.97 2ekx n THR 103 Cb 0.48 -0.60 -0.02 0.00 -1.82 0.00 0.00 70.33 68.37 2ekx n THR 103 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2ekx s ARG 104 N -2.35 3.78 -0.21 -2.82 0.52 -1.26 -4.96 118.95 111.65 2ekx s ARG 104 Ca 0.64 0.68 -0.36 0.00 -0.52 0.00 0.00 55.73 56.17 2ekx s ARG 104 Cb -0.38 -3.88 -0.13 0.00 0.52 0.00 0.00 34.95 31.08 2ekx s ARG 104 CO 0.59 -1.31 1.90 1.28 0.02 0.00 0.00 175.30 177.79 2ekx n LEU 105 N 7.73 2.83 -0.04 2.53 4.77 -1.25 -4.81 117.00 128.76 2ekx n LEU 105 Ca 0.12 0.89 -0.03 0.00 -0.03 0.00 0.00 56.01 56.97 2ekx n LEU 105 Cb 0.49 -1.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 2ekx n LEU 105 CO 0.69 -0.32 -0.20 -1.14 -1.33 0.00 0.00 177.39 175.10 2ekx n ARG 106 N 6.56 0.26 -3.90 3.23 0.63 0.11 -4.73 116.66 118.81 2ekx n ARG 106 Ca 0.28 0.41 -0.11 0.00 -0.92 0.00 0.00 57.85 57.51 2ekx n ARG 106 Cb 0.23 -1.30 -0.11 0.00 0.45 0.00 0.00 32.46 31.73 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 -1.71 0.08 0.46 -0.14 3.76 -1.25 -4.96 115.29 111.53 2ekx s HIS 107 Ca -0.08 -0.17 -0.23 0.00 -0.15 0.00 0.00 55.06 54.42 2ekx s HIS 107 Cb 0.01 -0.08 -0.07 0.00 1.11 0.00 0.00 32.58 33.55 2ekx s HIS 107 CO 0.12 -0.19 1.17 -1.25 -0.85 0.00 0.00 174.74 173.74 2ekx s PRO 108 N -1.05 3.78 0.00 8.40 0.04 -1.26 -0.54 135.00 144.37 2ekx s PRO 108 Ca -0.11 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.76 2ekx s PRO 108 Cb -0.07 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 2ekx s PRO 108 CO 0.00 -0.54 -0.17 0.08 0.04 0.00 0.00 177.00 176.41 2ekx s VAL 109 N -1.54 1.35 -0.46 -0.36 1.01 0.39 -4.74 120.40 116.05 2ekx s VAL 109 Ca 0.63 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2ekx s VAL 109 Cb -0.29 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 34.98 2ekx s VAL 109 CO 0.35 0.31 0.62 -1.20 0.00 0.00 0.00 175.10 175.18