#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 0.80 -4.34 1.61 3.41 -1.26 -5.03 113.62 108.81 2ekx n SER 2 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2ekx n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2ekx n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ekx n SER 3 N -2.44 -1.01 -3.52 4.04 7.64 -1.26 -4.90 113.62 112.16 2ekx n SER 3 Ca 0.00 -1.19 -0.29 0.00 1.01 0.00 0.00 58.87 58.40 2ekx n SER 3 Cb 0.25 -1.99 -0.12 0.00 -1.01 0.00 0.00 64.21 61.34 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 -3.77 1.08 -0.72 0.23 0.00 -1.26 -4.99 107.32 97.90 2ekx s GLY 4 Ca 0.45 -2.07 -0.00 0.00 0.00 0.00 0.00 44.72 43.09 2ekx s GLY 4 CO 0.98 1.95 1.85 1.44 0.00 0.00 0.00 173.10 179.32 2ekx n SER 5 N 3.86 7.01 -4.77 1.64 7.64 -1.26 -5.02 113.62 122.73 2ekx n SER 5 Ca 0.12 -3.81 -0.39 0.00 1.01 0.00 0.00 58.87 55.80 2ekx n SER 5 Cb 0.37 -0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 62.62 2ekx n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ekx s SER 6 N -1.75 6.76 0.41 6.43 0.15 -1.26 -5.01 113.70 119.43 2ekx s SER 6 Ca 0.54 2.36 -0.20 0.00 0.70 0.00 0.00 55.95 59.35 2ekx s SER 6 Cb 0.45 -2.62 -0.11 0.00 -1.71 0.00 0.00 66.02 62.03 2ekx s SER 6 CO -0.27 -0.51 0.91 -0.83 1.20 0.00 0.00 173.24 173.74 2ekx s GLY 7 N -1.00 2.38 -0.31 9.45 0.00 -1.26 -3.68 107.32 112.90 2ekx s GLY 7 Ca 0.53 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2ekx s GLY 7 CO 0.41 0.60 0.00 1.04 0.00 0.00 0.00 173.10 175.15 2ekx n LEU 8 N -0.60 -0.31 -0.03 0.66 4.77 -1.26 -4.76 117.00 115.47 2ekx n LEU 8 Ca 0.06 0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 2ekx n LEU 8 Cb 0.54 -1.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 2ekx n LEU 8 CO 0.38 -0.06 0.38 -0.78 -1.33 0.00 0.00 177.39 175.98 2ekx h ASP 9 N 0.00 0.85 -0.96 -1.43 3.58 -1.95 -3.25 116.42 113.26 2ekx h ASP 9 Ca -0.08 -0.50 0.19 0.00 0.42 0.00 0.00 57.03 57.06 2ekx h ASP 9 Cb 0.91 -0.25 -0.18 0.00 1.72 0.00 0.00 39.33 41.53 2ekx h ASP 9 CO 0.10 1.28 -0.26 -0.78 -2.88 0.00 0.00 179.24 176.69 2ekx h ASP 10 N 0.55 -0.97 -4.22 2.28 3.58 -1.86 -3.40 116.42 112.38 2ekx h ASP 10 Ca -0.01 0.29 -0.51 0.00 0.42 0.00 0.00 57.03 57.21 2ekx h ASP 10 Cb 1.24 0.62 0.12 0.00 1.72 0.00 0.00 39.33 43.03 2ekx h ASP 10 CO 0.13 -0.31 0.36 -0.31 -2.88 0.00 0.00 179.24 176.22 2ekx s TYR 11 N -6.21 2.46 -0.18 0.28 2.02 -1.23 -5.01 117.35 109.48 2ekx s TYR 11 Ca -0.15 1.57 -0.14 0.00 -0.37 0.00 0.00 57.07 57.98 2ekx s TYR 11 Cb 0.25 -3.20 -0.08 0.00 -0.40 0.00 0.00 41.96 38.54 2ekx s TYR 11 CO 0.77 -1.92 -0.18 -0.25 -1.57 0.00 0.00 175.55 172.40 2ekx n ASP 12 N -2.80 1.87 -0.32 2.29 8.00 -1.26 -4.39 116.55 119.93 2ekx n ASP 12 Ca 0.11 0.48 0.22 0.00 0.71 0.00 0.00 54.79 56.31 2ekx n ASP 12 Cb 0.52 -0.85 0.43 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.60 -0.27 1.24 5.08 -1.87 -3.39 115.95 116.35 2ekx h TRP 13 Ca -0.14 0.05 -0.39 0.00 1.08 0.00 0.00 58.89 59.49 2ekx h TRP 13 Cb 0.90 -0.11 -0.08 0.00 -3.00 0.00 0.00 29.16 26.88 2ekx h TRP 13 CO -0.21 -0.30 1.64 0.34 -1.28 0.00 0.00 178.44 178.62 2ekx n PHE 14 N -5.22 0.57 0.05 0.12 7.35 -1.26 -2.82 117.46 116.25 2ekx n PHE 14 Ca 0.29 0.17 -0.12 0.00 -0.76 0.00 0.00 57.45 57.03 2ekx n PHE 14 Cb 0.95 -1.83 -0.09 0.00 0.35 0.00 0.00 39.48 38.87 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 12.85 -0.17 0.00 3.13 0.00 -0.29 -3.46 119.26 131.32 2ekx h ALA 15 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ekx h ALA 15 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ekx h ALA 15 CO 1.39 -0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.71 2ekx n GLY 16 N 0.22 -1.68 3.55 0.00 0.00 -0.83 -4.81 105.19 101.63 2ekx n GLY 16 Ca -0.08 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 2ekx n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ekx n ASN 17 N 0.02 2.27 -3.15 1.61 4.13 -1.26 -3.96 115.26 114.92 2ekx n ASN 17 Ca 0.00 -0.50 -0.16 0.00 1.68 0.00 0.00 54.58 55.60 2ekx n ASN 17 Cb 0.00 -1.57 -0.04 0.00 -1.54 0.00 0.00 39.78 36.63 2ekx n ASN 17 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2ekx n ILE 18 N 8.00 0.00 -5.21 2.41 -6.64 -1.26 -5.08 119.36 111.58 2ekx n ILE 18 Ca 0.38 -1.26 -0.32 0.00 -1.77 0.00 0.00 62.75 59.78 2ekx n ILE 18 Cb 0.54 0.33 -0.16 0.00 -1.44 0.00 0.00 39.64 38.91 2ekx n ILE 18 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 2ekx s SER 19 N -2.41 3.22 0.42 7.28 0.01 -1.26 -4.98 113.70 115.98 2ekx s SER 19 Ca 0.04 -0.46 0.37 0.00 1.31 0.00 0.00 55.95 57.20 2ekx s SER 19 Cb 0.00 -0.82 1.35 0.00 0.21 0.00 0.00 66.02 66.76 2ekx s SER 19 CO 0.03 0.26 1.27 -2.11 0.41 0.00 0.00 173.24 173.10 2ekx n ARG 20 N 2.85 -0.01 -0.04 12.44 1.85 -1.26 0.14 116.66 132.64 2ekx n ARG 20 Ca -0.17 0.92 -0.12 0.00 -1.00 0.00 0.00 57.85 57.48 2ekx n ARG 20 Cb 0.52 -2.03 -0.11 0.00 -1.05 0.00 0.00 32.46 29.79 2ekx n ARG 20 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2ekx h SER 21 N 0.00 -0.02 0.31 2.89 0.02 -2.00 -3.26 113.55 111.49 2ekx h SER 21 Ca 0.75 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2ekx h SER 21 Cb 2.85 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 65.37 2ekx h SER 21 CO -0.12 0.78 -0.32 1.56 -1.14 0.00 0.00 176.83 177.58 2ekx h GLN 22 N -0.87 -0.64 -0.97 3.45 7.50 0.90 0.12 115.11 124.59 2ekx h GLN 22 Ca -0.00 0.04 0.14 0.00 0.50 0.00 0.00 58.65 59.33 2ekx h GLN 22 Cb 0.76 0.15 -0.15 0.00 0.05 0.00 0.00 27.48 28.28 2ekx h GLN 22 CO 0.00 -0.43 -0.42 0.66 -1.50 0.00 0.00 178.83 177.14 2ekx h SER 23 N -0.67 -1.55 0.34 1.46 4.64 -1.32 0.17 113.55 116.62 2ekx h SER 23 Ca -0.02 0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 2ekx h SER 23 Cb 0.61 0.78 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2ekx h SER 23 CO -0.07 -0.28 -0.17 -0.33 -0.87 0.00 0.00 176.83 175.12 2ekx h GLU 24 N -0.01 -0.45 -0.75 4.77 5.08 -1.54 -3.11 114.58 118.57 2ekx h GLU 24 Ca 0.31 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.79 2ekx h GLU 24 Cb 0.56 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.81 2ekx h GLU 24 CO -0.96 -0.30 -0.36 0.94 -1.00 0.00 0.00 179.01 177.33 2ekx n GLN 25 N -3.75 -0.24 -0.07 2.33 -0.06 0.39 -0.57 117.38 115.41 2ekx n GLN 25 Ca -0.06 1.15 -0.08 0.00 -2.00 0.00 0.00 57.00 56.01 2ekx n GLN 25 Cb 0.18 -1.70 -0.06 0.00 -4.06 0.00 0.00 30.24 24.60 2ekx n GLN 25 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2ekx h LEU 26 N 0.00 -1.08 0.16 1.69 3.38 -0.75 0.35 115.31 119.06 2ekx h LEU 26 Ca 0.20 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2ekx h LEU 26 Cb 0.39 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2ekx h LEU 26 CO -0.73 -0.25 -0.31 -0.07 0.09 0.00 0.00 178.44 177.17 2ekx h LEU 27 N -0.26 -0.91 -1.31 1.67 3.38 -0.75 0.52 115.31 117.64 2ekx h LEU 27 Ca 0.04 0.09 0.46 0.00 0.09 0.00 0.00 57.88 58.56 2ekx h LEU 27 Cb 0.36 0.32 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 2ekx h LEU 27 CO -0.33 -0.36 0.83 0.54 0.09 0.00 0.00 178.44 179.21 2ekx n ARG 28 N -4.24 -0.04 0.09 1.13 1.74 0.14 0.19 116.66 115.67 2ekx n ARG 28 Ca -0.06 1.25 -0.18 0.00 -0.77 0.00 0.00 57.85 58.09 2ekx n ARG 28 Cb 0.26 -2.43 -0.14 0.00 -1.02 0.00 0.00 32.46 29.12 2ekx n ARG 28 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2ekx h GLN 29 N 0.00 0.31 -0.93 5.56 4.15 0.25 -3.33 115.11 121.12 2ekx h GLN 29 Ca 0.86 -0.53 0.27 0.00 0.77 0.00 0.00 58.65 60.03 2ekx h GLN 29 Cb 2.73 0.20 -0.16 0.00 0.21 0.00 0.00 27.48 30.46 2ekx h GLN 29 CO -0.49 1.21 0.25 -0.22 -1.93 0.00 0.00 178.83 177.64 2ekx h LYS 30 N 0.08 0.14 -0.92 1.69 1.63 0.71 -3.44 116.57 116.46 2ekx h LYS 30 Ca -0.22 -0.01 -0.38 0.00 -0.85 0.00 0.00 60.65 59.19 2ekx h LYS 30 Cb 2.03 -0.03 -0.15 0.00 -0.60 0.00 0.00 32.23 33.48 2ekx h LYS 30 CO 0.19 0.09 -0.35 0.41 -3.45 0.00 0.00 179.45 176.35 2ekx n GLY 31 N -1.39 1.78 3.17 5.01 0.00 -1.10 -4.95 105.19 107.71 2ekx n GLY 31 Ca 0.25 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.60 2.24 -0.29 1.61 -0.14 -1.26 -5.05 119.74 113.25 2ekx s LYS 32 Ca 0.00 -1.74 -0.33 0.00 -1.36 0.00 0.00 55.97 52.54 2ekx s LYS 32 Cb 0.00 -3.70 -0.10 0.00 -1.68 0.00 0.00 37.83 32.35 2ekx s LYS 32 CO 0.00 -1.08 2.18 -1.91 -0.76 0.00 0.00 175.35 173.78 2ekx n GLU 33 N 4.73 1.39 0.00 1.68 4.07 -1.26 -0.65 120.64 130.60 2ekx n GLU 33 Ca -0.05 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.44 2ekx n GLU 33 Cb 0.41 -2.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.10 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ekx n GLY 34 N 6.18 2.22 3.36 8.31 0.00 -1.10 -4.80 105.19 119.36 2ekx n GLY 34 Ca 0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.12 -2.49 -2.70 4.61 0.00 0.17 -2.64 120.51 117.35 2ekx n ALA 35 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 2ekx n ALA 35 Cb 0.00 -1.59 -0.07 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.52 0.67 0.32 0.00 -0.71 -0.41 -0.11 117.98 116.22 2ekx s PHE 36 Ca 0.61 -0.98 -0.18 0.00 -1.04 0.00 0.00 56.93 55.33 2ekx s PHE 36 Cb -0.67 -0.15 0.04 0.00 -1.21 0.00 0.00 43.02 41.03 2ekx s PHE 36 CO 0.60 -0.79 0.79 0.00 -1.34 0.00 0.00 175.22 174.48 2ekx s MET 37 N -4.06 1.97 -0.09 1.99 0.23 -0.27 0.95 119.30 120.01 2ekx s MET 37 Ca 0.27 -1.20 -0.04 0.00 -1.03 0.00 0.00 55.69 53.69 2ekx s MET 37 Cb 0.03 0.59 0.05 0.00 -1.53 0.00 0.00 34.83 33.98 2ekx s MET 37 CO 0.08 -0.91 0.18 0.08 -2.03 0.00 0.00 175.02 172.41 2ekx s VAL 38 N -2.93 -0.28 0.48 5.16 1.01 -1.13 -3.06 120.40 119.65 2ekx s VAL 38 Ca 0.14 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.49 2ekx s VAL 38 Cb -0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 2ekx s VAL 38 CO 0.09 0.14 0.07 0.00 0.00 0.00 0.00 175.10 175.40 2ekx s ARG 39 N 2.28 2.15 -0.03 2.72 1.70 0.83 0.35 118.95 128.95 2ekx s ARG 39 Ca 0.02 -2.23 0.06 0.00 -0.47 0.00 0.00 55.73 53.11 2ekx s ARG 39 Cb -0.12 -1.67 -0.01 0.00 -0.57 0.00 0.00 34.95 32.58 2ekx s ARG 39 CO -0.06 -0.29 -0.22 0.54 -1.08 0.00 0.00 175.30 174.19 2ekx s ASN 40 N -3.89 2.64 0.91 -2.89 2.20 -1.25 -1.32 114.94 111.34 2ekx s ASN 40 Ca 0.19 -0.42 -0.15 0.00 -0.94 0.00 0.00 52.86 51.54 2ekx s ASN 40 Cb 0.03 -0.45 -0.06 0.00 -2.00 0.00 0.00 41.25 38.77 2ekx s ASN 40 CO 0.11 0.25 -0.13 -0.24 -2.94 0.00 0.00 177.10 174.15 2ekx n SER 41 N 2.70 -3.75 0.00 3.54 2.88 -0.86 -4.77 113.62 113.37 2ekx n SER 41 Ca -0.16 0.32 -0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2ekx n SER 41 Cb 0.52 -1.00 -0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2ekx n SER 41 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2ekx h SER 42 N -1.07 -0.01 -1.14 -3.46 4.64 -1.97 -3.39 113.55 107.16 2ekx h SER 42 Ca -0.44 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.30 2ekx h SER 42 Cb 1.31 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.99 2ekx h SER 42 CO 0.31 -0.00 -0.65 1.67 -0.87 0.00 0.00 176.83 177.29 2ekx n GLN 43 N -2.03 3.47 -3.80 4.77 -0.06 -1.26 -5.01 117.38 113.46 2ekx n GLN 43 Ca -0.00 -4.26 -0.12 0.00 -2.00 0.00 0.00 57.00 50.61 2ekx n GLN 43 Cb 0.00 -2.27 -0.11 0.00 -4.06 0.00 0.00 30.24 23.81 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 -5.04 0.02 -1.90 1.69 1.01 -1.26 -5.02 120.40 109.91 2ekx s VAL 44 Ca 0.50 -0.20 0.14 0.00 0.00 0.00 0.00 61.98 62.42 2ekx s VAL 44 Cb 0.41 -0.39 0.37 0.00 0.00 0.00 0.00 36.38 36.77 2ekx s VAL 44 CO -0.08 -0.11 1.28 0.61 0.00 0.00 0.00 175.10 176.81 2ekx n GLY 45 N 2.44 -0.50 3.86 4.51 0.00 -1.26 -4.23 105.19 110.01 2ekx n GLY 45 Ca -0.16 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.10 2.25 0.31 1.61 -1.94 -1.26 -4.95 119.30 113.22 2ekx s MET 46 Ca 0.20 0.40 0.07 0.00 -1.71 0.00 0.00 55.69 54.64 2ekx s MET 46 Cb 0.10 -1.96 -0.06 0.00 2.01 0.00 0.00 34.83 34.92 2ekx s MET 46 CO 0.17 -1.45 -0.05 0.71 -0.01 0.00 0.00 175.02 174.39 2ekx s TYR 47 N -3.36 2.11 -0.04 -0.03 1.51 -1.26 -2.02 117.35 114.26 2ekx s TYR 47 Ca 0.60 -0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 55.98 2ekx s TYR 47 Cb -0.12 -1.25 0.03 0.00 -0.11 0.00 0.00 41.96 40.51 2ekx s TYR 47 CO 0.52 0.34 0.02 0.99 -1.11 0.00 0.00 175.55 176.30 2ekx s THR 48 N -2.92 0.14 -0.37 -0.71 2.01 -0.43 -1.49 115.64 111.86 2ekx s THR 48 Ca 0.31 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 2ekx s THR 48 Cb 0.04 -0.30 0.10 0.00 0.01 0.00 0.00 72.50 72.35 2ekx s THR 48 CO 0.14 0.18 0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 2ekx s VAL 49 N 1.58 3.03 0.06 3.82 1.01 0.34 -0.12 120.40 130.12 2ekx s VAL 49 Ca -0.02 -1.98 0.04 0.00 0.00 0.00 0.00 61.98 60.02 2ekx s VAL 49 Cb -0.13 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2ekx s VAL 49 CO -0.03 -0.56 -0.01 -0.44 0.00 0.00 0.00 175.10 174.06 2ekx s SER 50 N 1.54 4.99 0.05 3.32 0.01 -1.17 -2.07 113.70 120.36 2ekx s SER 50 Ca 0.06 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.05 2ekx s SER 50 Cb -0.21 -1.20 0.01 0.00 0.21 0.00 0.00 66.02 64.83 2ekx s SER 50 CO -0.04 0.21 0.27 -1.48 0.41 0.00 0.00 173.24 172.61 2ekx s LEU 51 N -2.06 1.03 -0.16 2.44 0.05 -1.03 -1.11 118.68 117.84 2ekx s LEU 51 Ca 0.23 -0.30 -0.21 0.00 0.05 0.00 0.00 54.13 53.90 2ekx s LEU 51 Cb -0.12 1.26 -0.03 0.00 -2.05 0.00 0.00 46.19 45.25 2ekx s LEU 51 CO 0.15 -0.64 0.61 0.12 -0.55 0.00 0.00 176.35 176.05 2ekx s PHE 52 N -2.83 3.44 -0.04 3.48 5.36 0.84 -1.95 117.98 126.29 2ekx s PHE 52 Ca -0.03 0.98 -0.05 0.00 -0.96 0.00 0.00 56.93 56.87 2ekx s PHE 52 Cb 0.00 -2.74 0.01 0.00 -0.34 0.00 0.00 43.02 39.95 2ekx s PHE 52 CO -0.05 -0.05 0.12 0.45 -1.46 0.00 0.00 175.22 174.23 2ekx s SER 53 N 1.00 -0.09 0.06 6.13 0.15 -1.24 -2.70 113.70 117.02 2ekx s SER 53 Ca 0.30 0.14 -0.10 0.00 0.70 0.00 0.00 55.95 56.99 2ekx s SER 53 Cb -0.16 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2ekx s SER 53 CO 0.12 -0.11 0.21 -0.75 1.20 0.00 0.00 173.24 173.91 2ekx s LYS 54 N -0.24 0.78 0.24 5.44 2.20 -1.26 -3.11 119.74 123.78 2ekx s LYS 54 Ca -0.03 -0.74 0.05 0.00 -0.36 0.00 0.00 55.97 54.89 2ekx s LYS 54 Cb -0.02 0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 36.59 2ekx s LYS 54 CO 0.00 -0.24 0.34 0.00 -0.36 0.00 0.00 175.35 175.10 2ekx s ALA 55 N -3.10 3.90 0.53 3.13 0.00 -1.26 -5.00 121.76 119.97 2ekx s ALA 55 Ca -0.01 -1.24 0.22 0.00 0.00 0.00 0.00 51.96 50.93 2ekx s ALA 55 Cb 0.01 -1.69 1.48 0.00 0.00 0.00 0.00 23.12 22.92 2ekx s ALA 55 CO -0.07 0.25 2.17 -0.24 0.00 0.00 0.00 175.76 177.87 2ekx h VAL 56 N 1.21 0.79 0.06 0.00 3.04 -2.04 -2.85 116.25 116.46 2ekx h VAL 56 Ca -0.52 -0.11 -0.21 0.00 -1.01 0.00 0.00 66.70 64.85 2ekx h VAL 56 Cb 1.23 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 2ekx h VAL 56 CO 0.61 0.03 -1.11 -1.13 -1.01 0.00 0.00 177.57 174.96 2ekx h ASN 57 N 0.00 0.20 -2.11 3.17 -1.24 -2.05 -3.46 115.58 110.09 2ekx h ASN 57 Ca -0.00 -0.78 -0.62 0.00 0.71 0.00 0.00 56.30 55.60 2ekx h ASN 57 Cb 0.06 -0.07 0.07 0.00 0.73 0.00 0.00 38.32 39.11 2ekx h ASN 57 CO 0.00 1.47 0.55 0.47 -1.29 0.00 0.00 177.43 178.63 2ekx n ASP 58 N -4.19 2.23 0.02 1.15 9.92 -1.08 -4.89 116.55 119.72 2ekx n ASP 58 Ca -0.24 1.12 -0.01 0.00 -0.53 0.00 0.00 54.79 55.13 2ekx n ASP 58 Cb 0.76 -1.31 -0.09 0.00 -0.64 0.00 0.00 41.12 39.83 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 2.52 0.63 -3.94 -1.24 5.02 -1.26 -4.64 118.16 115.24 2ekx n LYS 59 Ca 0.16 0.20 -0.31 0.00 -2.02 0.00 0.00 58.31 56.34 2ekx n LYS 59 Cb 0.26 -1.78 -0.15 0.00 -0.02 0.00 0.00 35.03 33.33 2ekx n LYS 59 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2ekx s LYS 60 N -2.90 1.42 0.53 1.97 0.00 -1.26 -5.11 119.74 114.40 2ekx s LYS 60 Ca -0.04 -1.44 -0.22 0.00 0.00 0.00 0.00 55.97 54.27 2ekx s LYS 60 Cb 0.09 -2.77 -0.06 0.00 0.00 0.00 0.00 37.83 35.09 2ekx s LYS 60 CO 0.82 -0.83 1.31 0.41 0.00 0.00 0.00 175.35 177.05 2ekx n GLY 61 N 4.50 0.63 3.25 0.59 0.00 -1.26 -5.02 105.19 107.88 2ekx n GLY 61 Ca -0.03 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.29 1.93 0.04 2.61 2.01 -1.18 -5.02 115.64 114.74 2ekx s THR 62 Ca 0.70 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 2ekx s THR 62 Cb -0.43 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 2ekx s THR 62 CO 0.50 0.54 1.09 -0.69 -0.69 0.00 0.00 174.62 175.37 2ekx s VAL 63 N -0.23 4.41 0.10 3.82 1.01 -1.26 -3.70 120.40 124.55 2ekx s VAL 63 Ca -0.01 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 63.71 2ekx s VAL 63 Cb -0.12 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2ekx s VAL 63 CO 0.02 0.15 0.28 -0.54 0.00 0.00 0.00 175.10 175.02 2ekx s LYS 64 N 0.93 3.51 -0.07 2.72 3.01 -0.82 -4.98 119.74 124.02 2ekx s LYS 64 Ca 0.55 -0.31 0.03 0.00 -1.01 0.00 0.00 55.97 55.23 2ekx s LYS 64 Cb -0.26 -2.96 0.01 0.00 -1.01 0.00 0.00 37.83 33.61 2ekx s LYS 64 CO 0.29 0.54 -0.17 -3.38 0.51 0.00 0.00 175.35 173.14 2ekx s HIS 65 N -1.59 1.90 -0.20 3.18 -3.43 -1.26 -2.47 115.29 111.42 2ekx s HIS 65 Ca 0.37 -0.72 -0.00 0.00 -0.80 0.00 0.00 55.06 53.92 2ekx s HIS 65 Cb -0.13 -1.32 0.05 0.00 -1.43 0.00 0.00 32.58 29.76 2ekx s HIS 65 CO 0.27 -0.31 -0.05 0.71 -2.00 0.00 0.00 174.74 173.35 2ekx s TYR 66 N 0.46 2.02 -0.14 0.38 2.02 -0.88 -4.99 117.35 116.21 2ekx s TYR 66 Ca -0.15 -1.40 -0.26 0.00 -0.37 0.00 0.00 57.07 54.90 2ekx s TYR 66 Cb -0.16 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 2ekx s TYR 66 CO 0.05 -0.70 0.84 -1.58 -1.57 0.00 0.00 175.55 172.60 2ekx s HIS 67 N 1.53 3.46 -0.54 2.71 5.65 -1.26 -0.51 115.29 126.33 2ekx s HIS 67 Ca -0.02 1.31 -0.26 0.00 0.25 0.00 0.00 55.06 56.34 2ekx s HIS 67 Cb -0.17 -3.01 -0.05 0.00 -1.18 0.00 0.00 32.58 28.17 2ekx s HIS 67 CO -0.07 -0.19 2.17 0.08 -0.65 0.00 0.00 174.74 176.08 2ekx s VAL 68 N 1.91 3.16 0.67 0.89 1.01 -0.55 -4.81 120.40 122.68 2ekx s VAL 68 Ca 0.40 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 2ekx s VAL 68 Cb -0.17 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 2ekx s VAL 68 CO 0.14 -0.39 1.06 -1.00 0.00 0.00 0.00 175.10 174.91 2ekx s HIS 69 N 10.80 3.39 0.02 5.22 3.76 -0.76 -4.49 115.29 133.23 2ekx s HIS 69 Ca 0.85 1.06 0.04 0.00 -0.15 0.00 0.00 55.06 56.86 2ekx s HIS 69 Cb -0.15 -2.94 -0.02 0.00 1.11 0.00 0.00 32.58 30.58 2ekx s HIS 69 CO 0.24 -1.01 -0.12 0.99 -0.85 0.00 0.00 174.74 173.98 2ekx s THR 70 N -3.27 0.96 0.49 1.30 2.01 -1.26 -2.19 115.64 113.68 2ekx s THR 70 Ca 0.57 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.89 2ekx s THR 70 Cb -0.11 -0.85 0.08 0.00 0.01 0.00 0.00 72.50 71.63 2ekx s THR 70 CO 0.52 0.10 0.67 -0.46 -0.69 0.00 0.00 174.62 174.76 2ekx n ASN 71 N 2.31 1.68 -0.32 3.53 6.94 -0.78 -4.87 115.26 123.75 2ekx n ASN 71 Ca -0.16 -2.23 0.06 0.00 -0.02 0.00 0.00 54.58 52.23 2ekx n ASN 71 Cb 0.55 -0.36 0.26 0.00 -2.36 0.00 0.00 39.78 37.87 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 0.12 1.57 -0.33 -2.53 0.00 -2.02 -1.03 119.26 115.03 2ekx h ALA 72 Ca -0.23 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 2ekx h ALA 72 Cb 1.02 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 2ekx h ALA 72 CO 0.32 0.25 0.27 0.39 0.00 0.00 0.00 179.25 180.47 2ekx n GLU 73 N -4.54 1.52 -4.26 0.00 1.02 -1.26 -4.83 120.64 108.29 2ekx n GLU 73 Ca 0.16 -1.07 -0.32 0.00 -0.02 0.00 0.00 57.16 55.91 2ekx n GLU 73 Cb 0.29 -1.42 -0.09 0.00 -0.02 0.00 0.00 31.44 30.20 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 0.46 0.39 -4.57 1.62 4.13 -0.39 -4.89 115.26 112.01 2ekx n ASN 74 Ca 0.21 -1.21 -0.36 0.00 1.68 0.00 0.00 54.58 54.89 2ekx n ASN 74 Cb 0.66 -1.51 -0.11 0.00 -1.54 0.00 0.00 39.78 37.28 2ekx n ASN 74 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ekx s LYS 75 N -7.12 3.88 0.31 3.52 -0.14 -1.25 -4.85 119.74 114.09 2ekx s LYS 75 Ca 0.16 -0.37 -0.20 0.00 -1.36 0.00 0.00 55.97 54.20 2ekx s LYS 75 Cb -0.09 -3.42 -0.09 0.00 -1.68 0.00 0.00 37.83 32.55 2ekx s LYS 75 CO 0.95 -0.02 0.80 -0.51 -0.76 0.00 0.00 175.35 175.81 2ekx s LEU 76 N 1.23 4.19 -0.14 3.17 1.43 -1.26 -1.88 118.68 125.42 2ekx s LEU 76 Ca 0.06 1.49 -0.30 0.00 -1.03 0.00 0.00 54.13 54.35 2ekx s LEU 76 Cb -0.14 -3.97 0.13 0.00 0.03 0.00 0.00 46.19 42.23 2ekx s LEU 76 CO 0.05 -0.12 1.03 -0.72 0.23 0.00 0.00 176.35 176.82 2ekx s TYR 77 N -1.79 -0.31 -0.22 0.29 1.13 -0.93 -1.50 117.35 114.02 2ekx s TYR 77 Ca 0.51 0.43 0.12 0.00 -1.41 0.00 0.00 57.07 56.71 2ekx s TYR 77 Cb -0.14 0.48 -0.22 0.00 -1.10 0.00 0.00 41.96 40.99 2ekx s TYR 77 CO 0.19 -0.34 -0.04 1.28 -2.51 0.00 0.00 175.55 174.13 2ekx n LEU 78 N 0.42 1.14 -4.59 -3.49 4.77 -1.26 -1.83 117.00 112.15 2ekx n LEU 78 Ca -0.08 -0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.53 2ekx n LEU 78 Cb 0.59 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 2ekx n LEU 78 CO 0.13 0.66 -0.39 0.00 -1.33 0.00 0.00 177.39 176.47 2ekx s ALA 79 N -2.49 2.99 1.04 -1.18 0.00 -1.26 -4.89 121.76 115.96 2ekx s ALA 79 Ca -0.19 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 2ekx s ALA 79 Cb 0.07 -1.13 0.21 0.00 0.00 0.00 0.00 23.12 22.27 2ekx s ALA 79 CO 0.73 0.61 1.08 -1.21 0.00 0.00 0.00 175.76 176.96 2ekx s GLU 80 N -1.32 0.07 -1.39 0.00 2.02 -1.26 -3.08 118.70 113.74 2ekx s GLU 80 Ca 0.16 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.23 2ekx s GLU 80 Cb -0.11 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.47 2ekx s GLU 80 CO 0.06 -3.13 0.00 0.09 0.02 0.00 0.00 175.26 172.31 2ekx n ASN 81 N -4.53 -4.45 -3.92 -0.19 3.02 -1.26 -4.93 115.26 99.00 2ekx n ASN 81 Ca 0.07 0.19 -0.10 0.00 -0.03 0.00 0.00 54.58 54.70 2ekx n ASN 81 Cb 0.54 -3.83 -0.10 0.00 -0.61 0.00 0.00 39.78 35.78 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 -2.64 0.15 -0.04 3.10 2.02 -1.18 -5.15 117.35 113.61 2ekx s TYR 82 Ca 0.00 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 56.30 2ekx s TYR 82 Cb 0.00 -0.12 0.01 0.00 -0.40 0.00 0.00 41.96 41.46 2ekx s TYR 82 CO 0.00 -0.29 0.12 0.00 -1.57 0.00 0.00 175.55 173.81 2ekx n PHE 84 N 3.06 0.65 -0.09 0.00 3.01 -0.57 -5.03 117.46 118.48 2ekx n PHE 84 Ca -0.13 -1.95 -0.23 0.00 1.01 0.00 0.00 57.45 56.15 2ekx n PHE 84 Cb 0.59 -0.18 -0.12 0.00 -0.01 0.00 0.00 39.48 39.76 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 -1.37 1.99 -2.60 4.37 -0.08 -1.26 -4.27 116.55 113.33 2ekx n ASP 85 Ca -0.12 0.17 -0.10 0.00 -1.51 0.00 0.00 54.79 53.23 2ekx n ASP 85 Cb 0.49 -0.73 0.01 0.00 2.34 0.00 0.00 41.12 43.22 2ekx n ASP 85 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2ekx n SER 86 N -3.78 -1.67 0.32 1.67 2.88 -1.26 -4.81 113.62 106.97 2ekx n SER 86 Ca -0.42 -2.46 -0.15 0.00 -1.33 0.00 0.00 58.87 54.51 2ekx n SER 86 Cb 0.92 2.87 -0.08 0.00 -0.75 0.00 0.00 64.21 67.17 2ekx n SER 86 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2ekx h ILE 87 N 1.86 0.23 0.00 2.46 5.03 -1.97 -2.51 117.51 122.61 2ekx h ILE 87 Ca -0.27 -0.32 0.00 0.00 -0.12 0.00 0.00 64.86 64.15 2ekx h ILE 87 Cb 1.04 0.31 0.00 0.00 -3.03 0.00 0.00 36.82 35.15 2ekx h ILE 87 CO 0.35 0.03 0.00 1.55 -0.68 0.00 0.00 178.15 179.40 2ekx h PRO 88 N -1.08 0.00 0.00 2.37 0.13 -2.01 -2.35 132.00 129.07 2ekx h PRO 88 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2ekx h PRO 88 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2ekx h PRO 88 CO 0.14 0.00 -0.33 1.63 -0.23 0.00 0.00 178.00 179.21 2ekx n LYS 89 N -2.50 0.24 -0.05 0.86 4.76 -1.17 -3.32 118.16 116.99 2ekx n LYS 89 Ca 0.02 0.12 -0.22 0.00 -2.87 0.00 0.00 58.31 55.36 2ekx n LYS 89 Cb 0.25 -1.71 -0.13 0.00 -1.84 0.00 0.00 35.03 31.60 2ekx n LYS 89 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2ekx n LEU 90 N -2.09 2.40 -0.31 -0.35 0.00 -0.90 -4.28 117.00 111.48 2ekx n LEU 90 Ca 0.05 0.25 -0.03 0.00 0.00 0.00 0.00 56.01 56.27 2ekx n LEU 90 Cb 0.42 -1.04 0.12 0.00 0.00 0.00 0.00 43.42 42.92 2ekx n LEU 90 CO 0.33 0.68 1.18 0.40 0.00 0.00 0.00 177.39 179.98 2ekx h ILE 91 N -0.31 1.25 -0.57 1.96 5.03 -1.65 -1.74 117.51 121.47 2ekx h ILE 91 Ca -0.43 -0.60 0.17 0.00 -0.12 0.00 0.00 64.86 63.88 2ekx h ILE 91 Cb 1.78 0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 35.61 2ekx h ILE 91 CO -0.05 0.27 0.48 -0.74 -0.68 0.00 0.00 178.15 177.44 2ekx h HIS 92 N 1.21 0.00 0.10 1.37 2.76 -1.73 0.20 115.15 119.05 2ekx h HIS 92 Ca 0.31 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 58.23 2ekx h HIS 92 Cb 0.01 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2ekx h HIS 92 CO 0.01 0.00 -1.26 1.88 -1.30 0.00 0.00 177.93 177.26 2ekx h TYR 93 N 0.00 0.38 -0.72 5.26 0.05 -1.51 -3.36 116.97 117.07 2ekx h TYR 93 Ca 0.27 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2ekx h TYR 93 Cb 1.24 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.93 2ekx h TYR 93 CO 0.00 1.49 0.37 0.45 -1.05 0.00 0.00 178.16 179.43 2ekx h HIS 94 N -0.42 0.99 -0.92 4.88 3.86 -0.82 0.32 115.15 123.03 2ekx h HIS 94 Ca -0.28 -0.03 0.24 0.00 -1.16 0.00 0.00 60.37 59.15 2ekx h HIS 94 Cb 1.66 -0.32 -0.13 0.00 1.06 0.00 0.00 27.41 29.68 2ekx h HIS 94 CO 0.14 0.70 0.42 1.96 0.86 0.00 0.00 177.93 182.01 2ekx h GLN 95 N 1.01 0.38 0.00 2.45 4.20 -0.81 -3.30 115.11 119.03 2ekx h GLN 95 Ca 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2ekx h GLN 95 Cb 0.06 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2ekx h GLN 95 CO -0.04 0.25 -0.34 0.72 -0.67 0.00 0.00 178.83 178.75 2ekx n HIS 96 N -5.05 0.00 -3.43 2.96 8.25 -0.98 -4.51 115.22 112.47 2ekx n HIS 96 Ca 0.24 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.31 2ekx n HIS 96 Cb 0.71 -0.17 -0.09 0.00 1.12 0.00 0.00 29.99 31.56 2ekx n HIS 96 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2ekx s ASN 97 N -4.70 6.19 0.39 0.41 0.01 0.11 -4.97 114.94 112.38 2ekx s ASN 97 Ca -0.10 0.14 -0.22 0.00 -0.71 0.00 0.00 52.86 51.97 2ekx s ASN 97 Cb 0.01 -2.19 -0.10 0.00 0.41 0.00 0.00 41.25 39.38 2ekx s ASN 97 CO 0.15 -0.18 0.93 -0.94 -1.51 0.00 0.00 177.10 175.55 2ekx s SER 98 N 1.68 7.05 0.11 -1.22 1.04 -1.26 -3.20 113.70 117.91 2ekx s SER 98 Ca 0.13 1.71 -0.05 0.00 0.48 0.00 0.00 55.95 58.22 2ekx s SER 98 Cb -0.16 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 2ekx s SER 98 CO 0.10 -0.26 0.12 0.00 0.98 0.00 0.00 173.24 174.19 2ekx s ALA 99 N -1.99 0.31 -1.57 5.32 0.00 -1.26 -4.90 121.76 117.68 2ekx s ALA 99 Ca 0.58 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 2ekx s ALA 99 Cb -0.12 0.62 0.09 0.00 0.00 0.00 0.00 23.12 23.71 2ekx s ALA 99 CO 0.17 -0.50 0.69 0.41 0.00 0.00 0.00 175.76 176.53 2ekx n GLY 100 N -0.06 -0.37 2.85 0.00 0.00 -1.26 0.19 105.19 106.53 2ekx n GLY 100 Ca -0.10 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.44 -3.15 -3.22 1.61 0.00 -1.26 -4.91 117.12 101.75 2ekx n MET 101 Ca -0.07 0.69 -0.45 0.00 0.00 0.00 0.00 57.70 57.87 2ekx n MET 101 Cb 0.57 -5.39 -0.05 0.00 0.00 0.00 0.00 33.22 28.35 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 -2.90 5.06 0.09 2.02 -1.09 0.13 -5.03 121.20 119.49 2ekx s ILE 102 Ca 0.19 -1.33 -0.26 0.00 -2.23 0.00 0.00 60.65 57.02 2ekx s ILE 102 Cb -0.09 -4.41 -0.15 0.00 -1.58 0.00 0.00 42.46 36.23 2ekx s ILE 102 CO 0.24 -0.99 0.59 1.07 -1.23 0.00 0.00 174.94 174.62 2ekx n THR 103 N 5.32 0.94 -1.54 2.92 5.66 -1.26 -4.01 114.28 122.32 2ekx n THR 103 Ca -0.11 -0.24 -0.38 0.00 -3.05 0.00 0.00 64.05 60.28 2ekx n THR 103 Cb 0.41 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.14 2ekx n THR 103 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2ekx n ARG 104 N 0.96 0.94 -1.11 1.09 0.63 -1.26 -4.73 116.66 113.18 2ekx n ARG 104 Ca 0.15 0.04 -0.32 0.00 -0.92 0.00 0.00 57.85 56.81 2ekx n ARG 104 Cb 0.14 -3.10 -0.11 0.00 0.45 0.00 0.00 32.46 29.85 2ekx n ARG 104 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ekx n LEU 105 N 14.60 0.24 0.00 6.15 4.77 -1.25 -4.81 117.00 136.70 2ekx n LEU 105 Ca 0.41 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2ekx n LEU 105 Cb 0.45 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2ekx n LEU 105 CO 0.74 -0.54 0.37 -1.14 -1.33 0.00 0.00 177.39 175.50 2ekx n ARG 106 N 6.30 0.00 -4.12 3.23 3.00 -1.08 -4.74 116.66 119.25 2ekx n ARG 106 Ca 0.49 0.28 -0.15 0.00 -0.00 0.00 0.00 57.85 58.48 2ekx n ARG 106 Cb 0.02 -1.26 -0.12 0.00 0.00 0.00 0.00 32.46 31.10 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 -2.06 0.71 0.55 -0.14 3.76 -1.26 -4.97 115.29 111.88 2ekx s HIS 107 Ca 0.00 -0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 54.33 2ekx s HIS 107 Cb 0.00 -0.42 -0.05 0.00 1.11 0.00 0.00 32.58 33.21 2ekx s HIS 107 CO 0.00 -0.05 1.13 -1.25 -0.85 0.00 0.00 174.74 173.72 2ekx s PRO 108 N -1.22 3.31 -0.11 8.40 0.04 -1.26 -1.29 135.00 142.87 2ekx s PRO 108 Ca -0.06 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2ekx s PRO 108 Cb -0.08 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2ekx s PRO 108 CO 0.00 -0.88 -0.15 0.08 0.04 0.00 0.00 177.00 176.10 2ekx s VAL 109 N -1.83 1.52 0.00 -0.36 1.01 0.27 -4.75 120.40 116.26 2ekx s VAL 109 Ca 0.72 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2ekx s VAL 109 Cb -0.23 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2ekx s VAL 109 CO 0.28 0.45 0.00 -1.54 0.00 0.00 0.00 175.10 174.29