#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekx s SER 2 N 0.00 -0.25 -0.12 1.61 0.01 -1.26 -5.12 113.70 108.57 2ekx s SER 2 Ca 0.00 0.36 -0.29 0.00 1.31 0.00 0.00 55.95 57.33 2ekx s SER 2 Cb 0.00 1.44 -0.04 0.00 0.21 0.00 0.00 66.02 67.63 2ekx s SER 2 CO 0.00 -0.29 1.57 -0.44 0.41 0.00 0.00 173.24 174.49 2ekx s SER 3 N 2.64 6.64 -0.81 2.44 0.01 -1.26 -4.93 113.70 118.44 2ekx s SER 3 Ca 0.15 1.98 0.02 0.00 1.31 0.00 0.00 55.95 59.40 2ekx s SER 3 Cb -0.15 -2.53 0.34 0.00 0.21 0.00 0.00 66.02 63.88 2ekx s SER 3 CO -0.19 -0.99 1.46 0.61 0.41 0.00 0.00 173.24 174.55 2ekx n GLY 4 N 4.18 5.89 3.21 3.44 0.00 -1.26 -4.92 105.19 115.73 2ekx n GLY 4 Ca 0.17 -2.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.12 2ekx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ekx s SER 5 N -2.28 6.39 0.67 1.61 0.15 -1.26 -5.06 113.70 113.92 2ekx s SER 5 Ca 0.44 -3.37 -0.09 0.00 0.70 0.00 0.00 55.95 53.64 2ekx s SER 5 Cb 0.26 -2.04 0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2ekx s SER 5 CO -0.16 -0.31 1.01 -0.44 1.20 0.00 0.00 173.24 174.54 2ekx s SER 6 N 0.81 5.35 0.00 5.45 0.01 -1.26 -5.07 113.70 118.99 2ekx s SER 6 Ca 0.25 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2ekx s SER 6 Cb -0.11 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.45 2ekx s SER 6 CO -0.09 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 172.86 2ekx n GLY 7 N -2.84 2.58 0.13 3.44 0.00 -1.26 -5.02 105.19 102.22 2ekx n GLY 7 Ca 0.06 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 2.61 0.33 0.99 4.77 -1.26 -4.11 117.00 120.33 2ekx n LEU 8 Ca 0.00 0.14 0.14 0.00 -0.03 0.00 0.00 56.01 56.26 2ekx n LEU 8 Cb 0.00 -1.02 0.78 0.00 -2.33 0.00 0.00 43.42 40.84 2ekx n LEU 8 CO 0.00 0.80 1.11 -2.24 -1.33 0.00 0.00 177.39 175.72 2ekx h ASP 9 N -0.14 0.00 -0.29 -1.43 2.03 -1.96 -0.12 116.42 114.51 2ekx h ASP 9 Ca -0.48 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.78 2ekx h ASP 9 Cb 1.89 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.37 2ekx h ASP 9 CO -0.03 0.00 0.05 -0.78 -1.03 0.00 0.00 179.24 177.45 2ekx h ASP 10 N 0.00 0.46 -1.76 4.15 1.82 -1.91 -3.45 116.42 115.73 2ekx h ASP 10 Ca 0.00 -0.25 -0.16 0.00 -0.39 0.00 0.00 57.03 56.22 2ekx h ASP 10 Cb 0.69 -0.12 0.10 0.00 0.68 0.00 0.00 39.33 40.68 2ekx h ASP 10 CO 0.00 0.59 -0.08 -1.22 -1.61 0.00 0.00 179.24 176.92 2ekx n TYR 11 N -4.65 -2.41 0.29 0.28 4.01 -0.06 -4.96 117.16 109.67 2ekx n TYR 11 Ca -0.02 -0.18 0.05 0.00 -0.16 0.00 0.00 57.90 57.58 2ekx n TYR 11 Cb 0.20 -0.94 -0.07 0.00 -0.31 0.00 0.00 39.34 38.23 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 -2.34 1.32 -1.56 7.72 8.00 -1.26 -4.43 116.55 124.00 2ekx n ASP 12 Ca 0.06 -0.44 0.09 0.00 0.71 0.00 0.00 54.79 55.21 2ekx n ASP 12 Cb 0.27 1.20 0.35 0.00 -0.02 0.00 0.00 41.12 42.92 2ekx n ASP 12 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2ekx n TRP 13 N -1.51 1.46 -3.98 1.24 4.27 -1.26 -2.67 117.44 115.00 2ekx n TRP 13 Ca 0.00 -0.58 -0.33 0.00 -3.89 0.00 0.00 57.50 52.71 2ekx n TRP 13 Cb 0.21 -0.25 -0.14 0.00 -1.36 0.00 0.00 31.31 29.77 2ekx n TRP 13 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2ekx s PHE 14 N -1.86 3.43 -0.10 -2.67 2.19 -1.23 0.15 117.98 117.88 2ekx s PHE 14 Ca 0.49 -2.38 -0.22 0.00 0.33 0.00 0.00 56.93 55.15 2ekx s PHE 14 Cb 0.32 -2.38 -0.27 0.00 -1.31 0.00 0.00 43.02 39.37 2ekx s PHE 14 CO 0.23 -0.89 0.70 0.00 1.83 0.00 0.00 175.22 177.09 2ekx h ALA 15 N 7.83 0.04 0.00 11.12 0.00 -1.56 -3.45 119.26 133.25 2ekx h ALA 15 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2ekx h ALA 15 Cb 1.04 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ekx h ALA 15 CO 0.52 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.62 2ekx n GLY 16 N 1.64 0.92 3.55 0.00 0.00 -1.21 -4.88 105.19 105.21 2ekx n GLY 16 Ca -0.18 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 2ekx n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ekx s ASN 17 N -4.00 5.17 -0.01 1.61 2.20 -1.26 -2.95 114.94 115.70 2ekx s ASN 17 Ca 0.00 0.48 0.04 0.00 -0.94 0.00 0.00 52.86 52.44 2ekx s ASN 17 Cb 0.00 -2.53 -0.01 0.00 -2.00 0.00 0.00 41.25 36.72 2ekx s ASN 17 CO 0.00 -2.43 -0.12 0.27 -2.94 0.00 0.00 177.10 171.88 2ekx s ILE 18 N 9.47 0.95 0.47 0.54 -4.36 -1.26 -5.07 121.20 121.93 2ekx s ILE 18 Ca 0.72 -0.51 -0.10 0.00 -0.26 0.00 0.00 60.65 60.50 2ekx s ILE 18 Cb -0.14 -0.79 -0.06 0.00 1.25 0.00 0.00 42.46 42.72 2ekx s ILE 18 CO 0.22 0.27 0.84 -0.55 0.24 0.00 0.00 174.94 175.95 2ekx s SER 19 N -0.27 6.43 0.34 4.36 0.15 -1.26 -4.78 113.70 118.67 2ekx s SER 19 Ca 0.04 1.17 0.16 0.00 0.70 0.00 0.00 55.95 58.03 2ekx s SER 19 Cb -0.05 -2.35 1.16 0.00 -1.71 0.00 0.00 66.02 63.07 2ekx s SER 19 CO -0.00 -0.53 1.50 -1.14 1.20 0.00 0.00 173.24 174.26 2ekx n ARG 20 N -1.77 -0.06 0.12 5.44 0.63 -1.26 -0.97 116.66 118.80 2ekx n ARG 20 Ca 0.03 1.33 -0.06 0.00 -0.92 0.00 0.00 57.85 58.23 2ekx n ARG 20 Cb 0.54 -2.33 -0.03 0.00 0.45 0.00 0.00 32.46 31.09 2ekx n ARG 20 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2ekx h SER 21 N 0.00 -0.33 -0.91 6.15 0.02 -2.01 -3.35 113.55 113.12 2ekx h SER 21 Ca 0.76 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.83 2ekx h SER 21 Cb 1.93 0.09 -0.13 0.00 0.14 0.00 0.00 62.40 64.42 2ekx h SER 21 CO -0.77 0.08 -0.43 0.00 -1.14 0.00 0.00 176.83 174.57 2ekx n GLN 22 N -4.82 -0.29 -0.26 3.45 6.02 -0.14 0.81 117.38 122.14 2ekx n GLN 22 Ca -0.05 1.40 0.22 0.00 -0.01 0.00 0.00 57.00 58.56 2ekx n GLN 22 Cb 0.15 -2.06 0.41 0.00 1.02 0.00 0.00 30.24 29.76 2ekx n GLN 22 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2ekx n SER 23 N -5.26 0.18 -0.05 1.08 3.41 -0.40 0.15 113.62 112.73 2ekx n SER 23 Ca 0.06 1.34 -0.19 0.00 -0.26 0.00 0.00 58.87 59.82 2ekx n SER 23 Cb 0.31 -0.61 -0.13 0.00 -0.26 0.00 0.00 64.21 63.53 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 0.09 -0.20 4.33 5.08 0.26 -3.20 114.58 120.94 2ekx h GLU 24 Ca 0.63 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.89 2ekx h GLU 24 Cb 1.59 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.82 2ekx h GLU 24 CO -0.65 1.07 -0.43 0.37 -1.00 0.00 0.00 179.01 178.37 2ekx h GLN 25 N -0.76 -0.44 0.21 2.33 5.75 0.15 0.14 115.11 122.50 2ekx h GLN 25 Ca -0.22 0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.32 2ekx h GLN 25 Cb 1.37 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.99 2ekx h GLN 25 CO -0.05 -0.29 -0.31 -0.07 -2.65 0.00 0.00 178.83 175.46 2ekx h LEU 26 N -0.45 -0.88 -0.10 -2.39 3.38 -0.70 0.35 115.31 114.51 2ekx h LEU 26 Ca 0.09 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2ekx h LEU 26 Cb 0.62 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2ekx h LEU 26 CO -0.44 -0.42 -0.47 -0.07 0.09 0.00 0.00 178.44 177.13 2ekx h LEU 27 N -0.59 -1.48 0.58 1.67 3.38 -1.44 0.55 115.31 117.97 2ekx h LEU 27 Ca 0.01 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2ekx h LEU 27 Cb 0.58 0.58 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2ekx h LEU 27 CO -0.13 -0.42 -0.50 0.03 0.09 0.00 0.00 178.44 177.51 2ekx h ARG 28 N -0.51 -1.02 -0.94 1.13 3.08 -0.62 -2.84 114.38 112.65 2ekx h ARG 28 Ca 0.02 0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.31 2ekx h ARG 28 Cb 0.59 0.23 -0.16 0.00 0.08 0.00 0.00 29.97 30.71 2ekx h ARG 28 CO -0.37 -0.68 -0.34 1.96 -1.07 0.00 0.00 179.97 179.48 2ekx h GLN 29 N -1.06 -0.02 -0.99 0.04 1.08 -0.10 0.54 115.11 114.61 2ekx h GLN 29 Ca -0.07 0.00 0.34 0.00 -1.45 0.00 0.00 58.65 57.46 2ekx h GLN 29 Cb 0.90 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.15 2ekx h GLN 29 CO -0.02 -0.01 0.28 -0.22 -0.95 0.00 0.00 178.83 177.91 2ekx h LYS 30 N -0.02 0.03 -2.16 1.46 1.63 -0.64 -3.45 116.57 113.43 2ekx h LYS 30 Ca 0.37 -0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 60.01 2ekx h LYS 30 Cb 0.63 -0.01 0.03 0.00 -0.60 0.00 0.00 32.23 32.28 2ekx h LYS 30 CO -0.96 0.02 -0.25 0.41 -3.45 0.00 0.00 179.45 175.22 2ekx n GLY 31 N -1.38 0.21 3.15 5.01 0.00 0.19 -5.02 105.19 107.36 2ekx n GLY 31 Ca 0.30 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -5.04 2.23 0.33 1.61 1.02 -1.26 -5.08 119.74 113.55 2ekx s LYS 32 Ca 0.13 -1.49 -0.26 0.00 0.02 0.00 0.00 55.97 54.37 2ekx s LYS 32 Cb -0.06 -3.35 -0.14 0.00 -0.52 0.00 0.00 37.83 33.77 2ekx s LYS 32 CO 0.16 -0.80 0.75 0.39 -0.92 0.00 0.00 175.35 174.93 2ekx n GLU 33 N 4.60 0.82 -2.00 1.68 -0.58 -1.26 -0.49 120.64 123.42 2ekx n GLU 33 Ca -0.08 0.29 -0.17 0.00 -0.42 0.00 0.00 57.16 56.78 2ekx n GLU 33 Cb 0.43 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.68 2ekx n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ekx n GLY 34 N 1.56 0.47 3.62 0.62 0.00 -1.26 -4.07 105.19 106.13 2ekx n GLY 34 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.72 -1.33 -3.46 4.61 0.00 0.36 -0.22 120.51 119.76 2ekx n ALA 35 Ca -0.19 -0.71 -0.17 0.00 0.00 0.00 0.00 53.44 52.37 2ekx n ALA 35 Cb 0.61 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 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 -2.58 -0.55 0.23 0.00 -0.12 -0.61 -1.20 117.98 113.14 2ekx s PHE 36 Ca 0.67 0.96 -0.09 0.00 -0.05 0.00 0.00 56.93 58.43 2ekx s PHE 36 Cb -0.24 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.47 2ekx s PHE 36 CO 0.60 -0.54 0.35 0.00 -0.05 0.00 0.00 175.22 175.57 2ekx s MET 37 N -1.14 1.41 -0.05 1.99 0.23 -0.39 0.54 119.30 121.89 2ekx s MET 37 Ca -0.11 -1.38 -0.02 0.00 -1.03 0.00 0.00 55.69 53.15 2ekx s MET 37 Cb -0.01 0.40 0.03 0.00 -1.53 0.00 0.00 34.83 33.72 2ekx s MET 37 CO 0.08 -0.55 0.08 0.08 -2.03 0.00 0.00 175.02 172.69 2ekx s VAL 38 N -4.06 -0.13 0.57 5.16 1.01 0.40 -2.65 120.40 120.70 2ekx s VAL 38 Ca 0.28 0.37 0.10 0.00 0.00 0.00 0.00 61.98 62.72 2ekx s VAL 38 Cb 0.02 -0.18 0.09 0.00 0.00 0.00 0.00 36.38 36.31 2ekx s VAL 38 CO 0.10 0.15 0.78 0.00 0.00 0.00 0.00 175.10 176.13 2ekx s ARG 39 N 1.98 2.30 -0.59 2.72 1.70 -1.05 -1.86 118.95 124.15 2ekx s ARG 39 Ca 0.02 -1.67 -0.04 0.00 -0.47 0.00 0.00 55.73 53.57 2ekx s ARG 39 Cb -0.12 -2.62 0.15 0.00 -0.57 0.00 0.00 34.95 31.79 2ekx s ARG 39 CO -0.04 -0.86 0.42 0.54 -1.08 0.00 0.00 175.30 174.28 2ekx s ASN 40 N -4.65 5.38 0.95 -2.89 2.20 -1.15 -3.88 114.94 110.90 2ekx s ASN 40 Ca 0.61 -2.64 -0.10 0.00 -0.94 0.00 0.00 52.86 49.79 2ekx s ASN 40 Cb -0.06 -1.89 0.16 0.00 -2.00 0.00 0.00 41.25 37.46 2ekx s ASN 40 CO 0.38 -0.44 0.35 -0.24 -2.94 0.00 0.00 177.10 174.22 2ekx n SER 41 N 3.81 -2.62 -3.69 3.54 2.88 -1.26 -4.82 113.62 111.46 2ekx n SER 41 Ca 0.05 -0.35 -0.34 0.00 -1.33 0.00 0.00 58.87 56.90 2ekx n SER 41 Cb 0.39 -0.51 0.02 0.00 -0.75 0.00 0.00 64.21 63.36 2ekx n SER 41 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ekx n SER 42 N -2.44 -4.04 -3.02 -3.46 3.41 -1.26 -4.66 113.62 98.13 2ekx n SER 42 Ca 0.06 0.42 -0.28 0.00 -0.26 0.00 0.00 58.87 58.81 2ekx n SER 42 Cb 0.24 -0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 2ekx n SER 42 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2ekx n GLN 43 N 1.67 2.85 -0.38 4.33 7.27 -1.26 -3.94 117.38 127.91 2ekx n GLN 43 Ca 0.04 -1.72 0.04 0.00 0.07 0.00 0.00 57.00 55.43 2ekx n GLN 43 Cb 0.45 -2.53 0.05 0.00 2.41 0.00 0.00 30.24 30.63 2ekx n GLN 43 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2ekx n VAL 44 N 3.55 0.71 0.00 1.69 0.31 -1.26 -5.00 118.33 118.33 2ekx n VAL 44 Ca 0.61 -0.90 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2ekx n VAL 44 Cb 0.31 0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 -0.51 2.40 3.03 2.92 0.00 -1.25 -5.02 105.19 106.75 2ekx n GLY 45 Ca 0.06 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 2ekx n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ekx n MET 46 N 0.00 -2.53 -3.01 1.61 2.81 -1.26 -5.00 117.12 109.73 2ekx n MET 46 Ca 0.00 -0.75 -0.07 0.00 -1.81 0.00 0.00 57.70 55.07 2ekx n MET 46 Cb 0.00 -1.51 0.01 0.00 -0.71 0.00 0.00 33.22 31.01 2ekx n MET 46 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2ekx n TYR 47 N -4.53 -1.78 -3.41 2.03 4.01 -1.26 -4.26 117.16 107.95 2ekx n TYR 47 Ca 0.07 -1.38 -0.13 0.00 -0.16 0.00 0.00 57.90 56.29 2ekx n TYR 47 Cb 0.37 0.59 -0.10 0.00 -0.31 0.00 0.00 39.34 39.89 2ekx n TYR 47 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2ekx s THR 48 N -2.45 -0.48 -0.73 -0.72 2.01 -1.25 -3.37 115.64 108.65 2ekx s THR 48 Ca 0.13 -0.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 2ekx s THR 48 Cb -0.03 -0.79 0.11 0.00 0.01 0.00 0.00 72.50 71.80 2ekx s THR 48 CO 0.10 -0.20 0.92 -0.69 -0.69 0.00 0.00 174.62 174.06 2ekx s VAL 49 N 2.44 4.68 -0.17 3.82 1.01 0.38 -2.52 120.40 130.04 2ekx s VAL 49 Ca 0.10 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 2ekx s VAL 49 Cb -0.15 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 2ekx s VAL 49 CO -0.17 -1.35 0.05 -0.44 0.00 0.00 0.00 175.10 173.19 2ekx s SER 50 N 3.56 5.58 0.17 3.32 0.01 -1.08 -1.02 113.70 124.24 2ekx s SER 50 Ca 0.22 0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.60 2ekx s SER 50 Cb -0.15 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.12 2ekx s SER 50 CO 0.02 0.21 -0.04 -1.48 0.41 0.00 0.00 173.24 172.35 2ekx s LEU 51 N 0.18 2.31 0.06 2.44 0.05 -1.09 -1.27 118.68 121.36 2ekx s LEU 51 Ca 0.04 -1.12 0.01 0.00 0.05 0.00 0.00 54.13 53.11 2ekx s LEU 51 Cb -0.12 -0.20 -0.04 0.00 -2.05 0.00 0.00 46.19 43.78 2ekx s LEU 51 CO 0.01 -0.47 0.16 0.12 -0.55 0.00 0.00 176.35 175.62 2ekx s PHE 52 N -3.50 3.41 0.14 3.48 5.36 -0.34 -2.49 117.98 124.04 2ekx s PHE 52 Ca 0.21 0.20 -0.14 0.00 -0.96 0.00 0.00 56.93 56.24 2ekx s PHE 52 Cb 0.05 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 41.03 2ekx s PHE 52 CO 0.03 0.57 0.37 0.45 -1.46 0.00 0.00 175.22 175.18 2ekx s SER 53 N -2.40 -0.14 0.17 6.13 0.15 -1.18 -3.95 113.70 112.48 2ekx s SER 53 Ca 0.32 -0.49 -0.24 0.00 0.70 0.00 0.00 55.95 56.25 2ekx s SER 53 Cb -0.13 0.47 0.06 0.00 -1.71 0.00 0.00 66.02 64.71 2ekx s SER 53 CO 0.25 -0.88 0.75 -0.75 1.20 0.00 0.00 173.24 173.81 2ekx s LYS 54 N -3.85 1.37 0.05 5.44 2.20 -1.26 -2.68 119.74 121.01 2ekx s LYS 54 Ca 0.07 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 55.04 2ekx s LYS 54 Cb 0.02 0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 36.84 2ekx s LYS 54 CO -0.08 -0.62 -0.08 0.00 -0.36 0.00 0.00 175.35 174.21 2ekx s ALA 55 N -3.63 0.68 -0.76 3.13 0.00 -1.26 -5.02 121.76 114.90 2ekx s ALA 55 Ca 0.07 -0.88 0.14 0.00 0.00 0.00 0.00 51.96 51.29 2ekx s ALA 55 Cb -0.03 0.06 0.61 0.00 0.00 0.00 0.00 23.12 23.76 2ekx s ALA 55 CO -0.03 -0.05 1.42 1.33 0.00 0.00 0.00 175.76 178.44 2ekx n VAL 56 N 1.19 1.25 -0.09 0.00 0.24 -1.26 -3.11 118.33 116.55 2ekx n VAL 56 Ca -0.21 0.39 -0.12 0.00 -2.04 0.00 0.00 64.34 62.36 2ekx n VAL 56 Cb 0.56 -1.29 -0.05 0.00 -1.47 0.00 0.00 33.84 31.59 2ekx n VAL 56 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2ekx n ASN 57 N -1.78 1.87 -4.60 -1.34 4.13 -1.26 -4.97 115.26 107.31 2ekx n ASN 57 Ca 0.01 0.49 -0.33 0.00 1.68 0.00 0.00 54.58 56.43 2ekx n ASN 57 Cb 0.11 -0.85 0.12 0.00 -1.54 0.00 0.00 39.78 37.63 2ekx n ASN 57 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2ekx n ASP 58 N -4.50 -0.00 -0.04 6.41 8.00 -1.18 -4.99 116.55 120.25 2ekx n ASP 58 Ca -0.20 0.51 -0.02 0.00 0.71 0.00 0.00 54.79 55.80 2ekx n ASP 58 Cb 0.48 -1.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.17 2ekx n ASP 58 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2ekx h LYS 59 N -1.11 0.00 -4.81 -1.24 3.11 -1.93 -3.44 116.57 107.15 2ekx h LYS 59 Ca -0.45 0.00 -0.67 0.00 -2.81 0.00 0.00 60.65 56.72 2ekx h LYS 59 Cb 1.30 0.00 -0.25 0.00 -1.00 0.00 0.00 32.23 32.28 2ekx h LYS 59 CO 0.42 0.00 -0.60 0.21 -2.81 0.00 0.00 179.45 176.67 2ekx s LYS 60 N -1.65 3.22 0.31 1.90 2.47 -1.26 -5.02 119.74 119.72 2ekx s LYS 60 Ca -0.06 -0.78 -0.28 0.00 -1.56 0.00 0.00 55.97 53.30 2ekx s LYS 60 Cb 0.01 -3.44 -0.13 0.00 -1.46 0.00 0.00 37.83 32.81 2ekx s LYS 60 CO 0.08 -0.41 1.10 0.41 0.16 0.00 0.00 175.35 176.69 2ekx n GLY 61 N 4.91 0.02 3.90 5.54 0.00 -1.26 -4.98 105.19 113.32 2ekx n GLY 61 Ca -0.14 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2ekx n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ekx s THR 62 N -1.08 5.27 -0.22 2.61 -1.32 -1.09 -4.94 115.64 114.87 2ekx s THR 62 Ca 0.58 -0.42 -0.11 0.00 -1.21 0.00 0.00 61.69 60.53 2ekx s THR 62 Cb -0.65 -3.56 -0.05 0.00 -1.51 0.00 0.00 72.50 66.73 2ekx s THR 62 CO 0.61 0.16 0.17 -0.69 -2.21 0.00 0.00 174.62 172.65 2ekx s VAL 63 N -1.48 5.37 0.17 5.08 1.01 -1.26 -3.10 120.40 126.19 2ekx s VAL 63 Ca 0.33 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2ekx s VAL 63 Cb -0.13 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2ekx s VAL 63 CO 0.26 0.37 0.34 -0.54 0.00 0.00 0.00 175.10 175.53 2ekx s LYS 64 N 0.82 3.49 -0.09 2.72 3.01 -1.04 -5.02 119.74 123.63 2ekx s LYS 64 Ca 0.09 -0.43 0.02 0.00 -1.01 0.00 0.00 55.97 54.63 2ekx s LYS 64 Cb -0.13 -2.90 0.02 0.00 -1.01 0.00 0.00 37.83 33.81 2ekx s LYS 64 CO 0.03 0.47 -0.12 -3.38 0.51 0.00 0.00 175.35 172.85 2ekx s HIS 65 N -1.78 1.64 -0.34 3.18 -3.43 -1.26 -2.66 115.29 110.64 2ekx s HIS 65 Ca 0.37 -0.71 0.03 0.00 -0.80 0.00 0.00 55.06 53.95 2ekx s HIS 65 Cb -0.11 -1.23 0.10 0.00 -1.43 0.00 0.00 32.58 29.91 2ekx s HIS 65 CO 0.29 -0.39 0.06 0.71 -2.00 0.00 0.00 174.74 173.40 2ekx s TYR 66 N 0.99 3.52 -0.41 0.38 1.51 -0.19 -5.00 117.35 118.15 2ekx s TYR 66 Ca -0.08 -2.86 -0.29 0.00 -1.01 0.00 0.00 57.07 52.84 2ekx s TYR 66 Cb -0.15 -2.78 0.00 0.00 -0.11 0.00 0.00 41.96 38.92 2ekx s TYR 66 CO -0.01 -0.94 1.52 -1.58 -1.11 0.00 0.00 175.55 173.43 2ekx s HIS 67 N 0.97 2.22 0.17 2.71 5.65 -1.26 -0.47 115.29 125.28 2ekx s HIS 67 Ca 0.11 0.65 -0.25 0.00 0.25 0.00 0.00 55.06 55.82 2ekx s HIS 67 Cb -0.19 -4.27 -0.15 0.00 -1.18 0.00 0.00 32.58 26.79 2ekx s HIS 67 CO -0.10 -2.23 0.47 1.55 -0.65 0.00 0.00 174.74 173.79 2ekx n VAL 68 N 7.15 1.67 -4.51 0.89 3.14 -1.22 -4.94 118.33 120.52 2ekx n VAL 68 Ca 0.18 -0.42 -0.33 0.00 -2.96 0.00 0.00 64.34 60.81 2ekx n VAL 68 Cb 0.48 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.15 2ekx n VAL 68 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2ekx s HIS 69 N -0.83 2.91 -0.15 1.45 3.76 -1.23 -4.75 115.29 116.45 2ekx s HIS 69 Ca 0.57 -0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 55.45 2ekx s HIS 69 Cb -0.82 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 2ekx s HIS 69 CO 0.49 0.36 -0.10 0.99 -0.85 0.00 0.00 174.74 175.63 2ekx s THR 70 N -0.94 3.18 0.67 1.30 2.01 -1.26 -2.46 115.64 118.14 2ekx s THR 70 Ca 0.16 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.59 2ekx s THR 70 Cb -0.11 -2.37 0.12 0.00 0.01 0.00 0.00 72.50 70.15 2ekx s THR 70 CO 0.06 0.50 0.92 0.21 -0.69 0.00 0.00 174.62 175.62 2ekx s ASN 71 N 0.62 4.60 0.17 3.53 2.47 -0.43 -4.87 114.94 121.03 2ekx s ASN 71 Ca -0.06 -0.61 -0.22 0.00 0.42 0.00 0.00 52.86 52.39 2ekx s ASN 71 Cb -0.15 0.20 0.07 0.00 -1.45 0.00 0.00 41.25 39.91 2ekx s ASN 71 CO 0.03 -1.69 1.60 0.00 -3.72 0.00 0.00 177.10 173.31 2ekx h ALA 72 N -0.27 -0.13 -0.10 1.71 0.00 -2.00 0.50 119.26 118.97 2ekx h ALA 72 Ca -0.33 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2ekx h ALA 72 Cb 1.27 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 2ekx h ALA 72 CO 0.39 -0.70 0.07 0.39 0.00 0.00 0.00 179.25 179.40 2ekx n GLU 73 N -5.41 1.22 -3.97 0.00 1.02 -1.26 -4.75 120.64 107.48 2ekx n GLU 73 Ca 0.01 -0.38 -0.32 0.00 -0.02 0.00 0.00 57.16 56.46 2ekx n GLU 73 Cb 0.33 -1.18 -0.05 0.00 -0.02 0.00 0.00 31.44 30.53 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 1.31 -2.20 -4.68 1.62 2.85 0.17 -4.86 115.26 109.47 2ekx n ASN 74 Ca 0.08 -0.78 -0.41 0.00 -0.11 0.00 0.00 54.58 53.37 2ekx n ASN 74 Cb 0.53 -1.89 -0.05 0.00 1.24 0.00 0.00 39.78 39.62 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 -6.63 4.29 -0.24 1.20 1.02 -1.24 -4.75 119.74 113.40 2ekx s LYS 75 Ca 0.62 0.83 -0.20 0.00 0.02 0.00 0.00 55.97 57.24 2ekx s LYS 75 Cb -0.35 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.38 2ekx s LYS 75 CO 0.76 -0.22 0.59 -0.51 -0.92 0.00 0.00 175.35 175.05 2ekx s LEU 76 N 1.79 4.08 -0.21 3.17 1.43 -0.88 -1.31 118.68 126.76 2ekx s LEU 76 Ca 0.34 0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 53.95 2ekx s LEU 76 Cb -0.16 -2.80 0.06 0.00 0.03 0.00 0.00 46.19 43.31 2ekx s LEU 76 CO 0.13 -0.31 0.54 -0.72 0.23 0.00 0.00 176.35 176.22 2ekx s TYR 77 N 2.25 -0.63 -0.12 0.29 1.13 -1.03 -2.51 117.35 116.74 2ekx s TYR 77 Ca 0.25 1.49 0.13 0.00 -1.41 0.00 0.00 57.07 57.53 2ekx s TYR 77 Cb -0.16 0.24 -0.24 0.00 -1.10 0.00 0.00 41.96 40.71 2ekx s TYR 77 CO 0.09 -0.31 0.38 1.28 -2.51 0.00 0.00 175.55 174.48 2ekx n LEU 78 N 3.05 0.70 -4.07 -3.49 4.77 -1.26 -3.48 117.00 113.22 2ekx n LEU 78 Ca -0.15 0.22 -0.32 0.00 -0.03 0.00 0.00 56.01 55.73 2ekx n LEU 78 Cb 0.56 0.20 -0.16 0.00 -2.33 0.00 0.00 43.42 41.69 2ekx n LEU 78 CO 0.08 0.48 -0.50 0.00 -1.33 0.00 0.00 177.39 176.11 2ekx s ALA 79 N -2.55 2.18 0.28 -1.18 0.00 -1.26 -4.99 121.76 114.24 2ekx s ALA 79 Ca -0.09 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 2ekx s ALA 79 Cb 0.07 -1.19 0.55 0.00 0.00 0.00 0.00 23.12 22.55 2ekx s ALA 79 CO 0.82 -0.49 1.59 1.05 0.00 0.00 0.00 175.76 178.73 2ekx h GLU 80 N 7.96 0.03 -1.12 0.00 -0.00 -1.93 0.64 114.58 120.16 2ekx h GLU 80 Ca -0.39 -0.00 0.39 0.00 -0.00 0.00 0.00 59.36 59.35 2ekx h GLU 80 Cb 1.13 -0.01 -0.15 0.00 -0.00 0.00 0.00 28.75 29.72 2ekx h GLU 80 CO 0.57 0.02 0.67 -0.91 -0.00 0.00 0.00 179.01 179.36 2ekx h ASN 81 N 0.03 0.36 -2.05 3.06 2.35 -1.95 -3.39 115.58 113.99 2ekx h ASN 81 Ca 0.50 0.18 -0.56 0.00 -0.55 0.00 0.00 56.30 55.87 2ekx h ASN 81 Cb 0.90 0.16 -0.10 0.00 0.05 0.00 0.00 38.32 39.34 2ekx h ASN 81 CO -0.88 -0.22 -0.62 -0.31 -1.65 0.00 0.00 177.43 173.75 2ekx s TYR 82 N -5.48 2.64 -0.19 1.19 1.51 0.22 -5.10 117.35 112.14 2ekx s TYR 82 Ca -0.09 -0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 55.56 2ekx s TYR 82 Cb 0.31 -1.38 0.07 0.00 -0.11 0.00 0.00 41.96 40.86 2ekx s TYR 82 CO 0.80 0.52 0.45 0.00 -1.11 0.00 0.00 175.55 176.21 2ekx s PHE 84 N 1.83 1.80 0.00 0.00 0.08 -1.04 -5.04 117.98 115.60 2ekx s PHE 84 Ca -0.07 -1.17 0.00 0.00 0.12 0.00 0.00 56.93 55.81 2ekx s PHE 84 Cb -0.09 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 2ekx s PHE 84 CO -0.14 -0.10 0.73 -3.47 -0.10 0.00 0.00 175.22 172.15 2ekx n ASP 85 N -1.35 1.08 -3.73 1.36 2.03 -1.26 -2.07 116.55 112.60 2ekx n ASP 85 Ca -0.12 -1.51 -0.13 0.00 0.52 0.00 0.00 54.79 53.55 2ekx n ASP 85 Cb 0.66 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.51 -0.21 -0.01 1.67 0.01 -1.26 -4.77 113.70 108.62 2ekx s SER 86 Ca 0.00 0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 2ekx s SER 86 Cb 0.00 0.35 -0.15 0.00 0.21 0.00 0.00 66.02 66.43 2ekx s SER 86 CO 0.00 -0.52 1.09 0.40 0.41 0.00 0.00 173.24 174.61 2ekx h ILE 87 N 3.56 0.56 0.00 1.44 2.04 -1.97 -2.52 117.51 120.62 2ekx h ILE 87 Ca -0.30 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2ekx h ILE 87 Cb 1.18 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2ekx h ILE 87 CO 0.42 0.11 0.00 -0.81 0.00 0.00 0.00 178.15 177.87 2ekx n PRO 88 N -5.13 0.23 -0.06 2.37 -0.04 -1.26 -2.70 135.00 128.42 2ekx n PRO 88 Ca -0.09 0.13 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 2ekx n PRO 88 Cb 0.27 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.26 0.65 -0.18 0.54 4.81 -1.17 -3.21 118.16 118.35 2ekx n LYS 89 Ca 0.07 0.42 -0.10 0.00 -0.87 0.00 0.00 58.31 57.83 2ekx n LYS 89 Cb 0.11 -1.72 0.01 0.00 0.02 0.00 0.00 35.03 33.45 2ekx n LYS 89 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2ekx h LEU 90 N -0.52 0.95 -1.01 3.14 6.46 -1.32 -2.85 115.31 120.16 2ekx h LEU 90 Ca -0.40 -0.34 -0.10 0.00 -0.12 0.00 0.00 57.88 56.91 2ekx h LEU 90 Cb 1.65 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 2ekx h LEU 90 CO -0.09 1.06 -0.48 0.40 -0.62 0.00 0.00 178.44 178.71 2ekx h ILE 91 N 0.81 1.35 -0.07 4.05 1.08 -1.70 -2.79 117.51 120.23 2ekx h ILE 91 Ca 0.14 -1.67 -0.06 0.00 -0.39 0.00 0.00 64.86 62.88 2ekx h ILE 91 Cb 0.62 1.88 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 2ekx h ILE 91 CO 0.04 0.48 -0.21 0.45 -0.69 0.00 0.00 178.15 178.22 2ekx h HIS 92 N 0.02 0.12 0.03 1.37 3.86 -1.47 -2.75 115.15 116.33 2ekx h HIS 92 Ca -0.00 -0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 58.92 2ekx h HIS 92 Cb 0.87 -0.03 0.02 0.00 1.06 0.00 0.00 27.41 29.32 2ekx h HIS 92 CO 0.00 0.33 -1.09 -0.92 0.86 0.00 0.00 177.93 177.11 2ekx h TYR 93 N 0.11 1.02 -0.45 2.45 5.03 -1.34 -3.30 116.97 120.49 2ekx h TYR 93 Ca 0.02 -0.58 0.05 0.00 2.58 0.00 0.00 58.73 60.80 2ekx h TYR 93 Cb 0.44 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.57 2ekx h TYR 93 CO 0.00 1.42 0.20 0.45 -1.32 0.00 0.00 178.16 178.91 2ekx h HIS 94 N 0.36 0.37 -0.87 -3.82 3.86 -1.32 -2.05 115.15 111.67 2ekx h HIS 94 Ca -0.14 0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.24 2ekx h HIS 94 Cb 1.75 -0.10 -0.15 0.00 1.06 0.00 0.00 27.41 29.97 2ekx h HIS 94 CO 0.10 0.17 -0.29 1.04 0.86 0.00 0.00 177.93 179.81 2ekx n GLN 95 N -4.94 -0.15 -0.03 2.45 6.02 -1.06 -0.46 117.38 119.20 2ekx n GLN 95 Ca 0.03 1.35 -0.13 0.00 -0.01 0.00 0.00 57.00 58.24 2ekx n GLN 95 Cb 0.14 -2.01 -0.11 0.00 1.02 0.00 0.00 30.24 29.28 2ekx n GLN 95 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ekx h HIS 96 N 0.00 0.06 -2.29 1.08 3.86 -1.64 -3.46 115.15 112.76 2ekx h HIS 96 Ca 0.35 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.51 2ekx h HIS 96 Cb 0.57 -0.01 -0.24 0.00 1.06 0.00 0.00 27.41 28.79 2ekx h HIS 96 CO -0.72 0.68 -0.20 0.54 0.86 0.00 0.00 177.93 179.08 2ekx s ASN 97 N -5.92 -0.71 1.10 2.45 2.20 0.39 -5.12 114.94 109.33 2ekx s ASN 97 Ca -0.16 1.24 -0.16 0.00 -0.94 0.00 0.00 52.86 52.84 2ekx s ASN 97 Cb 0.01 1.46 0.20 0.00 -2.00 0.00 0.00 41.25 40.92 2ekx s ASN 97 CO 0.69 -0.22 0.40 -0.24 -2.94 0.00 0.00 177.10 174.79 2ekx n SER 98 N 4.89 -3.12 -0.07 3.54 2.88 -1.15 -3.82 113.62 116.77 2ekx n SER 98 Ca -0.16 -0.44 -0.07 0.00 -1.33 0.00 0.00 58.87 56.87 2ekx n SER 98 Cb 0.53 -0.83 -0.02 0.00 -0.75 0.00 0.00 64.21 63.13 2ekx n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ekx n ALA 99 N -4.66 0.79 0.00 -1.46 0.00 -1.26 -4.87 120.51 109.05 2ekx n ALA 99 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2ekx n ALA 99 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 1.55 1.14 2.98 0.00 0.00 -1.26 -4.88 105.19 104.71 2ekx n GLY 100 Ca -0.11 0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2ekx n GLY 100 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ekx n MET 101 N -0.02 -3.84 -3.75 1.61 0.00 -1.26 -4.82 117.12 105.04 2ekx n MET 101 Ca 0.00 0.77 -0.13 0.00 -0.00 0.00 0.00 57.70 58.34 2ekx n MET 101 Cb 0.00 -5.54 -0.14 0.00 0.00 0.00 0.00 33.22 27.54 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 -3.04 -0.04 0.28 1.12 1.01 -1.26 -5.11 121.20 114.17 2ekx s ILE 102 Ca 0.26 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 2ekx s ILE 102 Cb -0.12 -0.28 -0.13 0.00 0.01 0.00 0.00 42.46 41.94 2ekx s ILE 102 CO 0.32 0.06 1.31 0.41 0.00 0.00 0.00 174.94 177.04 2ekx n THR 103 N 4.09 1.49 -2.21 2.92 -1.04 -1.26 -4.71 114.28 113.56 2ekx n THR 103 Ca -0.25 -0.37 -0.43 0.00 -2.04 0.00 0.00 64.05 60.96 2ekx n THR 103 Cb 0.53 -1.44 -0.02 0.00 -1.82 0.00 0.00 70.33 67.58 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 -1.13 3.88 -0.15 -2.82 0.52 -1.26 -4.93 118.95 113.06 2ekx s ARG 104 Ca 0.62 1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 57.11 2ekx s ARG 104 Cb -0.63 -3.97 -0.07 0.00 0.52 0.00 0.00 34.95 30.80 2ekx s ARG 104 CO 0.56 -1.19 2.13 1.28 0.02 0.00 0.00 175.30 178.11 2ekx n LEU 105 N 8.04 3.42 -0.01 2.53 4.77 -1.26 -4.87 117.00 129.60 2ekx n LEU 105 Ca 0.17 0.45 -0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2ekx n LEU 105 Cb 0.45 -1.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.03 2ekx n LEU 105 CO 0.64 -0.42 -0.03 0.03 -1.33 0.00 0.00 177.39 176.28 2ekx h ARG 106 N 13.29 0.00 -5.49 3.23 3.08 -0.83 -3.41 114.38 124.25 2ekx h ARG 106 Ca -0.43 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.16 2ekx h ARG 106 Cb 1.25 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.06 2ekx h ARG 106 CO 0.96 0.00 -0.80 -1.01 -1.07 0.00 0.00 179.97 178.05 2ekx s HIS 107 N -1.17 1.35 0.77 3.04 3.76 -1.22 -4.99 115.29 116.82 2ekx s HIS 107 Ca -0.01 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 2ekx s HIS 107 Cb 0.00 -0.79 0.06 0.00 1.11 0.00 0.00 32.58 32.96 2ekx s HIS 107 CO 0.02 0.06 1.09 -1.25 -0.85 0.00 0.00 174.74 173.81 2ekx s PRO 108 N -1.30 2.26 -0.11 8.40 0.04 -1.26 -1.58 135.00 141.45 2ekx s PRO 108 Ca 0.02 1.17 -0.13 0.00 0.04 0.00 0.00 61.00 62.10 2ekx s PRO 108 Cb -0.08 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2ekx s PRO 108 CO 0.02 -1.64 0.35 0.08 0.04 0.00 0.00 177.00 175.84 2ekx s VAL 109 N -2.89 0.01 -0.06 -0.36 1.01 0.19 -4.66 120.40 113.64 2ekx s VAL 109 Ca 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2ekx s VAL 109 Cb -0.17 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2ekx s VAL 109 CO 0.56 -0.05 0.51 -1.54 0.00 0.00 0.00 175.10 174.58