#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ek5 h ALA 2 N 0.00 1.00 -2.70 3.04 0.00 -2.01 -3.42 119.26 115.17 1ek5 h ALA 2 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1ek5 h ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ek5 h ALA 2 CO 0.00 0.00 0.03 -1.21 0.00 0.00 0.00 179.25 178.07 1ek5 s GLU 3 N -3.66 4.31 0.51 0.00 2.02 -1.26 -5.03 118.70 115.59 1ek5 s GLU 3 Ca -0.01 0.86 -0.04 0.00 0.02 0.00 0.00 54.97 55.81 1ek5 s GLU 3 Cb 0.09 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.08 1ek5 s GLU 3 CO 0.33 0.61 0.79 0.15 0.02 0.00 0.00 175.26 177.17 1ek5 s LYS 4 N -1.15 3.13 -0.20 1.61 -0.14 -0.92 -4.50 119.74 117.58 1ek5 s LYS 4 Ca 0.31 -0.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.82 1ek5 s LYS 4 Cb -0.20 -2.39 0.02 0.00 -1.68 0.00 0.00 37.83 33.57 1ek5 s LYS 4 CO 0.21 -0.43 -0.17 0.08 -0.76 0.00 0.00 175.35 174.29 1ek5 s VAL 5 N -2.78 2.27 -0.04 3.17 1.01 0.11 -1.53 120.40 122.61 1ek5 s VAL 5 Ca 0.50 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1ek5 s VAL 5 Cb -0.10 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1ek5 s VAL 5 CO 0.43 0.45 0.98 -0.22 0.00 0.00 0.00 175.10 176.74 1ek5 s LEU 6 N 1.30 4.32 -0.32 3.92 2.96 -0.78 -0.75 118.68 129.32 1ek5 s LEU 6 Ca 0.04 1.60 0.01 0.00 -0.22 0.00 0.00 54.13 55.56 1ek5 s LEU 6 Cb -0.14 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.07 1ek5 s LEU 6 CO -0.11 -0.33 0.02 -0.69 -1.32 0.00 0.00 176.35 173.93 1ek5 s VAL 7 N 1.37 2.62 0.28 1.68 1.01 0.23 -1.13 120.40 126.46 1ek5 s VAL 7 Ca 0.50 -1.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.40 1ek5 s VAL 7 Cb -0.20 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1ek5 s VAL 7 CO 0.24 -0.33 0.83 0.42 0.00 0.00 0.00 175.10 176.26 1ek5 s THR 8 N 1.09 4.40 -1.75 3.92 -4.23 -0.78 -2.02 115.64 116.26 1ek5 s THR 8 Ca 0.01 1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 62.05 1ek5 s THR 8 Cb -0.20 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.72 1ek5 s THR 8 CO -0.05 0.16 0.12 0.61 -0.54 0.00 0.00 174.62 174.92 1ek5 n GLY 9 N 0.59 -0.50 0.02 3.99 0.00 0.12 -2.36 105.19 107.04 1ek5 n GLY 9 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1ek5 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek5 n GLY 10 N -1.12 -0.99 0.01 -0.02 0.00 -1.21 -2.74 105.19 99.12 1ek5 n GLY 10 Ca -0.22 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1ek5 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek5 n ALA 11 N -1.54 3.14 -1.22 4.61 0.00 -1.26 -1.36 120.51 122.88 1ek5 n ALA 11 Ca 0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 1ek5 n ALA 11 Cb 0.16 -1.23 0.09 0.00 0.00 0.00 0.00 19.45 18.47 1ek5 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek5 n GLY 12 N 1.49 -1.87 0.40 0.00 0.00 -1.11 -4.62 105.19 99.48 1ek5 n GLY 12 Ca 0.06 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 1ek5 n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ek5 h TYR 13 N -1.63 -0.97 -0.29 1.61 3.20 -1.87 0.53 116.97 117.55 1ek5 h TYR 13 Ca -0.17 -0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.50 1ek5 h TYR 13 Cb 0.50 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1ek5 h TYR 13 CO 0.00 -0.59 -0.54 0.82 -1.64 0.00 0.00 178.16 176.21 1ek5 h ILE 14 N -1.00 1.27 -0.14 1.81 2.04 -1.95 -3.22 117.51 116.33 1ek5 h ILE 14 Ca -0.10 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1ek5 h ILE 14 Cb 0.78 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1ek5 h ILE 14 CO 0.15 0.56 0.09 1.23 0.00 0.00 0.00 178.15 180.18 1ek5 h GLY 15 N 0.71 0.20 0.72 5.37 0.00 -1.74 -1.85 103.07 106.47 1ek5 h GLY 15 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.32 1ek5 h GLY 15 CO 0.12 0.07 0.36 1.48 0.00 0.00 0.00 176.54 178.57 1ek5 h SER 16 N 0.17 0.53 -0.72 0.19 4.64 0.40 0.44 113.55 119.21 1ek5 h SER 16 Ca 0.05 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1ek5 h SER 16 Cb -0.00 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1ek5 h SER 16 CO -0.01 0.35 0.33 0.45 -0.87 0.00 0.00 176.83 177.08 1ek5 h HIS 17 N 0.67 1.07 -0.25 4.77 -0.00 -1.53 -0.11 115.15 119.77 1ek5 h HIS 17 Ca 0.28 -0.06 -0.17 0.00 -0.00 0.00 0.00 60.37 60.43 1ek5 h HIS 17 Cb 0.15 -0.33 -0.00 0.00 -0.00 0.00 0.00 27.41 27.23 1ek5 h HIS 17 CO -0.08 0.79 -0.51 1.15 -0.00 0.00 0.00 177.93 179.28 1ek5 h THR 18 N 1.06 1.30 -0.63 2.45 2.02 -0.50 -1.96 112.91 116.65 1ek5 h THR 18 Ca 0.25 -1.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.67 1ek5 h THR 18 Cb 0.14 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1ek5 h THR 18 CO -0.03 0.55 0.21 0.58 0.37 0.00 0.00 175.52 177.20 1ek5 h VAL 19 N 0.56 1.24 -0.47 3.16 2.07 0.60 -0.43 116.25 122.98 1ek5 h VAL 19 Ca 0.02 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1ek5 h VAL 19 Cb 1.08 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1ek5 h VAL 19 CO 0.11 0.31 0.27 0.25 0.02 0.00 0.00 177.57 178.53 1ek5 h LEU 20 N 0.89 0.58 -1.16 2.57 6.46 -0.76 -1.54 115.31 122.35 1ek5 h LEU 20 Ca 0.20 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1ek5 h LEU 20 Cb 0.27 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1ek5 h LEU 20 CO -0.01 0.49 0.40 -0.33 -0.62 0.00 0.00 178.44 178.37 1ek5 h GLU 21 N 0.62 0.98 -0.44 1.25 4.39 -1.04 -0.67 114.58 119.67 1ek5 h GLU 21 Ca 0.17 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ek5 h GLU 21 Cb 0.03 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1ek5 h GLU 21 CO -0.03 0.71 0.27 -0.07 -1.16 0.00 0.00 179.01 178.73 1ek5 h LEU 22 N 0.99 0.52 0.03 1.33 3.38 -0.65 -1.58 115.31 119.33 1ek5 h LEU 22 Ca 0.25 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ek5 h LEU 22 Cb 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1ek5 h LEU 22 CO -0.04 0.42 -0.01 -0.07 0.09 0.00 0.00 178.44 178.82 1ek5 h LEU 23 N 0.58 -0.03 -1.58 1.67 3.38 -0.74 0.15 115.31 118.74 1ek5 h LEU 23 Ca 0.16 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1ek5 h LEU 23 Cb -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ek5 h LEU 23 CO -0.03 0.15 0.35 -0.33 0.09 0.00 0.00 178.44 178.67 1ek5 h GLU 24 N -0.22 0.52 -0.00 1.13 4.39 -1.10 -2.04 114.58 117.26 1ek5 h GLU 24 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ek5 h GLU 24 Cb 0.20 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ek5 h GLU 24 CO 0.01 0.34 -0.13 0.00 -1.16 0.00 0.00 179.01 178.07 1ek5 n ALA 25 N -2.49 2.81 0.00 3.43 0.00 -0.60 -4.93 120.51 118.73 1ek5 n ALA 25 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1ek5 n ALA 25 Cb 0.20 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1ek5 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek5 n GLY 26 N 1.29 0.85 3.95 0.00 0.00 -0.77 -5.06 105.19 105.45 1ek5 n GLY 26 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1ek5 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ek5 s TYR 27 N -2.00 3.37 -0.42 1.61 2.02 0.51 -4.75 117.35 117.70 1ek5 s TYR 27 Ca 0.00 0.23 -0.03 0.00 -0.37 0.00 0.00 57.07 56.89 1ek5 s TYR 27 Cb 0.00 -2.01 0.11 0.00 -0.40 0.00 0.00 41.96 39.66 1ek5 s TYR 27 CO 0.00 -0.01 0.22 -0.51 -1.57 0.00 0.00 175.55 173.68 1ek5 s LEU 28 N -4.35 5.29 0.06 -1.29 1.43 -1.26 -4.15 118.68 114.40 1ek5 s LEU 28 Ca 0.43 -2.04 -0.08 0.00 -1.03 0.00 0.00 54.13 51.40 1ek5 s LEU 28 Cb -0.10 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1ek5 s LEU 28 CO 0.36 -0.55 0.34 -2.16 0.23 0.00 0.00 176.35 174.57 1ek5 s PRO 29 N 1.13 3.67 -0.17 1.29 0.04 -1.26 0.06 135.00 139.76 1ek5 s PRO 29 Ca 0.08 0.05 -0.00 0.00 0.04 0.00 0.00 61.00 61.17 1ek5 s PRO 29 Cb -0.23 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1ek5 s PRO 29 CO -0.04 0.59 -0.14 0.08 0.04 0.00 0.00 177.00 177.53 1ek5 s VAL 30 N -1.38 2.70 -0.02 -0.36 1.01 0.07 -2.48 120.40 119.94 1ek5 s VAL 30 Ca 0.32 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1ek5 s VAL 30 Cb -0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1ek5 s VAL 30 CO 0.18 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.94 1ek5 s VAL 31 N 0.98 3.01 -0.01 2.92 1.01 0.11 -0.60 120.40 127.82 1ek5 s VAL 31 Ca -0.02 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1ek5 s VAL 31 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1ek5 s VAL 31 CO -0.02 0.50 -0.17 0.27 0.00 0.00 0.00 175.10 175.67 1ek5 s ILE 32 N -0.81 1.37 -0.01 2.22 -4.36 -0.86 0.10 121.20 118.86 1ek5 s ILE 32 Ca 0.13 -0.79 -0.27 0.00 -0.26 0.00 0.00 60.65 59.46 1ek5 s ILE 32 Cb -0.11 -1.15 0.06 0.00 1.25 0.00 0.00 42.46 42.51 1ek5 s ILE 32 CO 0.03 0.35 0.60 -0.62 0.24 0.00 0.00 174.94 175.54 1ek5 s ASP 33 N -0.51 -0.56 0.00 4.36 2.15 -1.14 0.10 116.67 121.08 1ek5 s ASP 33 Ca 0.06 0.47 0.15 0.00 0.43 0.00 0.00 52.55 53.67 1ek5 s ASP 33 Cb -0.07 0.51 0.23 0.00 -0.30 0.00 0.00 42.92 43.29 1ek5 s ASP 33 CO -0.00 -0.65 1.12 -0.46 -0.17 0.00 0.00 175.17 175.01 1ek5 n ASN 34 N 0.71 2.66 -0.75 -0.34 6.94 -1.07 -0.91 115.26 122.49 1ek5 n ASN 34 Ca -0.19 -1.77 -0.10 0.00 -0.02 0.00 0.00 54.58 52.50 1ek5 n ASN 34 Cb 0.58 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.85 1ek5 n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1ek5 n PHE 35 N 0.90 0.00 0.18 -2.53 3.01 -1.26 -4.86 117.46 112.89 1ek5 n PHE 35 Ca 0.12 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.62 1ek5 n PHE 35 Cb 0.43 -1.93 0.47 0.00 -0.01 0.00 0.00 39.48 38.43 1ek5 n PHE 35 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1ek5 h HIS 36 N 0.00 0.10 -0.25 1.38 -0.00 -1.98 -3.27 115.15 111.13 1ek5 h HIS 36 Ca -0.20 -0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 59.95 1ek5 h HIS 36 Cb 0.67 -0.03 -0.36 0.00 -0.00 0.00 0.00 27.41 27.69 1ek5 h HIS 36 CO 0.30 0.24 -0.98 -1.71 -0.00 0.00 0.00 177.93 175.78 1ek5 n ASN 37 N -4.32 1.00 -3.98 3.26 5.15 -1.26 -5.07 115.26 110.03 1ek5 n ASN 37 Ca -0.02 -2.03 -0.10 0.00 -0.60 0.00 0.00 54.58 51.83 1ek5 n ASN 37 Cb 0.24 -0.28 -0.11 0.00 -0.53 0.00 0.00 39.78 39.09 1ek5 n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ek5 s ALA 38 N -2.17 0.15 0.08 5.20 0.00 -1.24 -4.86 121.76 118.92 1ek5 s ALA 38 Ca 0.26 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 1ek5 s ALA 38 Cb 0.34 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 1ek5 s ALA 38 CO -0.08 -0.13 1.01 0.12 0.00 0.00 0.00 175.76 176.68 1ek5 s PHE 39 N -1.30 3.69 -0.40 0.00 2.19 -1.26 -4.77 117.98 116.13 1ek5 s PHE 39 Ca -0.14 1.69 -0.29 0.00 0.33 0.00 0.00 56.93 58.52 1ek5 s PHE 39 Cb -0.09 -3.15 0.01 0.00 -1.31 0.00 0.00 43.02 38.49 1ek5 s PHE 39 CO -0.01 -0.14 1.37 0.50 1.83 0.00 0.00 175.22 178.78 1ek5 s ARG 40 N 0.40 3.64 1.08 10.12 3.52 -1.26 -1.53 118.95 134.93 1ek5 s ARG 40 Ca 0.50 0.94 -0.16 0.00 -0.13 0.00 0.00 55.73 56.89 1ek5 s ARG 40 Cb -0.24 -3.99 0.23 0.00 -1.56 0.00 0.00 34.95 29.39 1ek5 s ARG 40 CO 0.30 -1.48 1.12 0.20 -0.81 0.00 0.00 175.30 174.63 1ek5 s GLY 41 N 3.62 1.59 0.01 8.12 0.00 -0.67 -4.56 107.32 115.43 1ek5 s GLY 41 Ca 0.59 -0.72 -0.24 0.00 0.00 0.00 0.00 44.72 44.36 1ek5 s GLY 41 CO 0.31 0.03 1.37 -1.33 0.00 0.00 0.00 173.10 173.48 1ek5 h GLY 42 N -2.17 0.09 0.00 0.20 0.00 -1.91 -3.45 103.07 95.83 1ek5 h GLY 42 Ca -0.49 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1ek5 h GLY 42 CO 0.46 0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.69 1ek5 n GLY 43 N -0.02 -0.28 0.02 4.60 0.00 -1.26 -4.90 105.19 103.35 1ek5 n GLY 43 Ca -0.07 -0.96 0.14 0.00 0.00 0.00 0.00 46.02 45.12 1ek5 n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ek5 n SER 44 N 0.00 0.14 -4.47 1.61 7.64 -1.26 -4.91 113.62 112.37 1ek5 n SER 44 Ca 0.00 0.10 -0.22 0.00 1.01 0.00 0.00 58.87 59.75 1ek5 n SER 44 Cb 0.00 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 62.81 1ek5 n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ek5 s LEU 45 N -2.83 2.40 0.62 -3.43 1.43 -1.26 -4.96 118.68 110.65 1ek5 s LEU 45 Ca 0.19 -1.31 -0.17 0.00 -1.03 0.00 0.00 54.13 51.82 1ek5 s LEU 45 Cb 0.19 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.84 1ek5 s LEU 45 CO 0.53 -0.49 1.12 -2.84 0.23 0.00 0.00 176.35 174.91 1ek5 s PRO 46 N -3.80 2.97 0.34 1.29 0.01 -1.26 -1.66 135.00 132.88 1ek5 s PRO 46 Ca 0.34 1.49 0.05 0.00 0.01 0.00 0.00 61.00 62.88 1ek5 s PRO 46 Cb 0.07 -1.96 0.68 0.00 0.01 0.00 0.00 34.50 33.29 1ek5 s PRO 46 CO 0.15 -1.13 1.92 1.49 0.01 0.00 0.00 177.00 179.43 1ek5 h GLU 47 N 0.44 0.82 -0.65 5.54 4.57 -1.52 -0.29 114.58 123.49 1ek5 h GLU 47 Ca -0.48 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.63 1ek5 h GLU 47 Cb 1.25 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 1ek5 h GLU 47 CO 0.55 0.55 0.32 0.66 -1.18 0.00 0.00 179.01 179.90 1ek5 h SER 48 N 0.85 0.84 0.70 1.04 4.64 -1.85 -2.14 113.55 117.63 1ek5 h SER 48 Ca 0.38 -0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 61.38 1ek5 h SER 48 Cb 0.36 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1ek5 h SER 48 CO -0.15 0.73 -0.87 -0.07 -0.87 0.00 0.00 176.83 175.61 1ek5 h LEU 49 N 0.89 0.14 -0.21 5.97 3.38 -1.61 -2.42 115.31 121.45 1ek5 h LEU 49 Ca 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ek5 h LEU 49 Cb 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ek5 h LEU 49 CO -0.03 0.94 0.14 -0.09 0.09 0.00 0.00 178.44 179.49 1ek5 h ARG 50 N 0.06 0.28 -0.12 1.13 2.43 -0.95 -0.58 114.38 116.62 1ek5 h ARG 50 Ca -0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1ek5 h ARG 50 Cb 1.51 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 1ek5 h ARG 50 CO 0.12 0.20 0.00 0.00 -1.51 0.00 0.00 179.97 178.79 1ek5 h ARG 51 N 0.28 0.17 -0.49 0.20 3.08 -1.34 -2.00 114.38 114.28 1ek5 h ARG 51 Ca 0.08 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 1ek5 h ARG 51 Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1ek5 h ARG 51 CO -0.02 0.19 -0.20 0.28 -1.07 0.00 0.00 179.97 179.16 1ek5 h VAL 52 N 0.17 1.27 -0.65 2.04 2.07 -0.81 -0.19 116.25 120.15 1ek5 h VAL 52 Ca 0.04 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 1ek5 h VAL 52 Cb 0.12 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1ek5 h VAL 52 CO 0.00 0.47 0.31 1.56 0.02 0.00 0.00 177.57 179.93 1ek5 h GLN 53 N 0.85 0.94 -0.33 1.57 4.20 -0.50 -1.65 115.11 120.19 1ek5 h GLN 53 Ca 0.11 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1ek5 h GLN 53 Cb 0.78 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1ek5 h GLN 53 CO 0.06 0.76 0.18 0.93 -0.67 0.00 0.00 178.83 180.09 1ek5 h GLU 54 N 0.90 0.47 -0.78 1.46 5.08 -1.10 0.46 114.58 121.08 1ek5 h GLU 54 Ca 0.22 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ek5 h GLU 54 Cb 0.13 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1ek5 h GLU 54 CO -0.03 0.40 0.50 -0.07 -1.00 0.00 0.00 179.01 178.80 1ek5 h LEU 55 N 0.42 0.91 0.00 1.33 3.38 -0.71 -3.27 115.31 117.36 1ek5 h LEU 55 Ca 0.12 -0.04 -0.29 0.00 0.09 0.00 0.00 57.88 57.76 1ek5 h LEU 55 Cb 0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1ek5 h LEU 55 CO -0.02 0.68 -2.11 0.35 0.09 0.00 0.00 178.44 177.43 1ek5 n THR 56 N -4.40 1.25 -1.04 0.22 -2.24 -0.65 -4.97 114.28 102.45 1ek5 n THR 56 Ca 0.08 -0.79 -0.01 0.00 -2.27 0.00 0.00 64.05 61.06 1ek5 n THR 56 Cb 0.04 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.72 1ek5 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ek5 n GLY 57 N 1.62 0.51 3.59 3.38 0.00 0.16 -5.00 105.19 109.45 1ek5 n GLY 57 Ca -0.24 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 1ek5 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ek5 s ARG 58 N -1.10 2.09 0.27 1.61 0.52 -1.20 -5.04 118.95 116.09 1ek5 s ARG 58 Ca 0.00 -1.51 0.08 0.00 -0.52 0.00 0.00 55.73 53.78 1ek5 s ARG 58 Cb 0.00 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1ek5 s ARG 58 CO 0.00 0.36 0.10 -1.54 0.02 0.00 0.00 175.30 174.24 1ek5 s SER 59 N -3.55 4.99 0.01 0.23 1.04 -1.26 -4.31 113.70 110.84 1ek5 s SER 59 Ca 0.30 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.31 1ek5 s SER 59 Cb -0.06 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 64.96 1ek5 s SER 59 CO 0.18 -0.04 -0.19 0.54 0.98 0.00 0.00 173.24 174.71 1ek5 s VAL 60 N -2.25 1.48 0.03 5.02 0.11 -1.26 -4.81 120.40 118.72 1ek5 s VAL 60 Ca 0.33 -0.91 -0.19 0.00 -2.93 0.00 0.00 61.98 58.28 1ek5 s VAL 60 Cb -0.07 -1.25 -0.06 0.00 -1.53 0.00 0.00 36.38 33.47 1ek5 s VAL 60 CO 0.22 0.33 0.55 -1.61 -3.33 0.00 0.00 175.10 171.26 1ek5 s GLU 61 N -0.68 4.21 0.01 1.54 2.02 -1.03 -4.98 118.70 119.79 1ek5 s GLU 61 Ca 0.07 0.69 0.01 0.00 0.02 0.00 0.00 54.97 55.75 1ek5 s GLU 61 Cb -0.08 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 1ek5 s GLU 61 CO 0.00 0.53 -0.04 0.12 0.02 0.00 0.00 175.26 175.90 1ek5 s PHE 62 N -0.72 0.32 -0.08 1.61 5.36 -1.26 0.05 117.98 123.26 1ek5 s PHE 62 Ca 0.29 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.06 1ek5 s PHE 62 Cb -0.19 -0.20 0.02 0.00 -0.34 0.00 0.00 43.02 42.31 1ek5 s PHE 62 CO 0.17 -0.05 -0.06 -1.21 -1.46 0.00 0.00 175.22 172.61 1ek5 s GLU 63 N -0.56 1.21 -0.20 10.12 0.41 0.11 -4.93 118.70 124.87 1ek5 s GLU 63 Ca -0.04 -0.18 -0.29 0.00 -0.41 0.00 0.00 54.97 54.05 1ek5 s GLU 63 Cb -0.04 -1.24 -0.00 0.00 -1.78 0.00 0.00 34.13 31.07 1ek5 s GLU 63 CO -0.00 -0.16 1.18 -2.00 -0.49 0.00 0.00 175.26 173.79 1ek5 s GLU 64 N 1.33 4.22 -0.02 1.61 2.12 -1.26 -2.90 118.70 123.79 1ek5 s GLU 64 Ca -0.03 1.51 -0.30 0.00 0.36 0.00 0.00 54.97 56.51 1ek5 s GLU 64 Cb -0.14 -3.73 0.11 0.00 0.26 0.00 0.00 34.13 30.63 1ek5 s GLU 64 CO -0.03 -0.71 1.04 0.00 -0.54 0.00 0.00 175.26 175.01 1ek5 s MET 65 N 3.44 0.71 -0.13 4.30 0.23 -0.09 -4.91 119.30 122.85 1ek5 s MET 65 Ca 0.51 -0.32 -0.03 0.00 -1.03 0.00 0.00 55.69 54.82 1ek5 s MET 65 Cb -0.19 0.29 -0.03 0.00 -1.53 0.00 0.00 34.83 33.37 1ek5 s MET 65 CO 0.12 -0.32 -0.01 0.34 -2.03 0.00 0.00 175.02 173.13 1ek5 s ASP 66 N -2.57 5.10 0.26 -1.18 -1.08 -1.26 -2.60 116.67 113.34 1ek5 s ASP 66 Ca 0.09 0.02 0.22 0.00 -0.52 0.00 0.00 52.55 52.35 1ek5 s ASP 66 Cb -0.00 -1.66 1.01 0.00 -1.46 0.00 0.00 42.92 40.80 1ek5 s ASP 66 CO -0.05 0.26 1.66 2.30 0.52 0.00 0.00 175.17 179.86 1ek5 n ILE 67 N 2.93 0.96 1.22 4.11 -5.35 -1.26 -1.03 119.36 120.94 1ek5 n ILE 67 Ca -0.18 0.44 0.14 0.00 -0.27 0.00 0.00 62.75 62.88 1ek5 n ILE 67 Cb 0.53 -1.40 0.58 0.00 -1.74 0.00 0.00 39.64 37.62 1ek5 n ILE 67 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ek5 n LEU 68 N -2.19 0.24 -4.39 7.28 4.77 -1.26 -4.61 117.00 116.84 1ek5 n LEU 68 Ca 0.01 0.21 -0.44 0.00 -0.03 0.00 0.00 56.01 55.75 1ek5 n LEU 68 Cb 0.14 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1ek5 n LEU 68 CO 0.15 0.05 0.50 -0.62 -1.33 0.00 0.00 177.39 176.14 1ek5 s ASP 69 N -2.74 6.21 0.24 -1.43 -1.08 -0.20 -4.91 116.67 112.76 1ek5 s ASP 69 Ca 0.21 -1.40 -0.06 0.00 -0.52 0.00 0.00 52.55 50.78 1ek5 s ASP 69 Cb 0.19 -2.33 0.30 0.00 -1.46 0.00 0.00 42.92 39.63 1ek5 s ASP 69 CO 0.53 -1.17 1.86 -0.61 0.52 0.00 0.00 175.17 176.30 1ek5 h GLN 70 N 9.22 0.97 -0.34 4.34 4.15 -1.85 -1.94 115.11 129.65 1ek5 h GLN 70 Ca -0.27 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.12 1ek5 h GLN 70 Cb 1.08 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 1ek5 h GLN 70 CO 1.11 0.64 0.18 0.78 -1.93 0.00 0.00 178.83 179.61 1ek5 h GLY 71 N 1.00 0.47 0.80 2.39 0.00 -1.96 -0.75 103.07 105.01 1ek5 h GLY 71 Ca 0.36 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.59 1ek5 h GLY 71 CO -0.15 0.10 0.22 0.00 0.00 0.00 0.00 176.54 176.71 1ek5 h ALA 72 N 1.17 0.53 -0.77 3.60 0.00 -1.84 -2.02 119.26 119.93 1ek5 h ALA 72 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ek5 h ALA 72 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1ek5 h ALA 72 CO -0.09 -0.13 0.40 -0.07 0.00 0.00 0.00 179.25 179.36 1ek5 h LEU 73 N 0.44 0.98 -0.53 0.00 3.38 -0.92 -0.44 115.31 118.22 1ek5 h LEU 73 Ca 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ek5 h LEU 73 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1ek5 h LEU 73 CO -0.12 0.82 0.28 1.56 0.09 0.00 0.00 178.44 181.07 1ek5 h GLN 74 N 1.08 0.75 -0.40 1.13 4.20 -0.76 -2.19 115.11 118.91 1ek5 h GLN 74 Ca 0.27 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 1ek5 h GLN 74 Cb 0.07 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1ek5 h GLN 74 CO -0.04 0.58 0.11 0.00 -0.67 0.00 0.00 178.83 178.81 1ek5 h ARG 75 N 0.71 0.64 -0.24 1.46 3.08 -1.19 -1.65 114.38 117.19 1ek5 h ARG 75 Ca 0.19 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1ek5 h ARG 75 Cb 0.06 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1ek5 h ARG 75 CO -0.03 0.66 -0.07 1.25 -1.07 0.00 0.00 179.97 180.71 1ek5 h LEU 76 N 0.51 -0.25 -1.54 3.04 5.85 -0.88 -1.47 115.31 120.58 1ek5 h LEU 76 Ca 0.13 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1ek5 h LEU 76 Cb 0.30 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1ek5 h LEU 76 CO -0.00 -0.09 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.52 1ek5 h PHE 77 N -0.02 0.00 0.01 1.25 -1.00 -1.32 -1.74 116.94 114.13 1ek5 h PHE 77 Ca 0.12 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.68 1ek5 h PHE 77 Cb 0.19 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 1ek5 h PHE 77 CO -0.25 0.23 -1.05 0.87 -1.61 0.00 0.00 178.31 176.49 1ek5 h LYS 78 N 0.00 0.03 0.00 1.51 1.57 -0.80 -3.33 116.57 115.54 1ek5 h LYS 78 Ca -0.00 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 1ek5 h LYS 78 Cb 0.51 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1ek5 h LYS 78 CO 0.03 1.01 -1.03 -0.22 -0.57 0.00 0.00 179.45 178.66 1ek5 h LYS 79 N 0.01 0.00 -5.63 3.15 3.64 -0.95 -3.47 116.57 113.32 1ek5 h LYS 79 Ca -0.03 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.89 1ek5 h LYS 79 Cb 1.80 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 33.46 1ek5 h LYS 79 CO 0.14 0.90 -0.75 0.71 -2.27 0.00 0.00 179.45 178.17 1ek5 s TYR 80 N -2.72 1.67 -0.37 1.91 2.02 -0.69 -5.10 117.35 114.07 1ek5 s TYR 80 Ca 0.01 -0.55 -0.06 0.00 -0.37 0.00 0.00 57.07 56.10 1ek5 s TYR 80 Cb 0.10 -0.81 0.07 0.00 -0.40 0.00 0.00 41.96 40.91 1ek5 s TYR 80 CO 0.81 0.30 0.16 -1.12 -1.57 0.00 0.00 175.55 174.13 1ek5 s SER 81 N -2.96 5.34 -0.07 2.29 0.01 -1.26 -4.66 113.70 112.39 1ek5 s SER 81 Ca 0.18 -1.44 -0.05 0.00 1.31 0.00 0.00 55.95 55.95 1ek5 s SER 81 Cb -0.03 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1ek5 s SER 81 CO 0.06 -0.42 0.15 -0.36 0.41 0.00 0.00 173.24 173.07 1ek5 s PHE 82 N 1.34 3.55 -0.07 2.43 0.40 -1.26 -2.16 117.98 122.21 1ek5 s PHE 82 Ca 0.01 0.44 0.22 0.00 -0.60 0.00 0.00 56.93 56.99 1ek5 s PHE 82 Cb -0.21 -1.88 -0.28 0.00 0.51 0.00 0.00 43.02 41.16 1ek5 s PHE 82 CO 0.01 0.69 0.55 0.00 0.70 0.00 0.00 175.22 177.16 1ek5 n MET 83 N 1.55 0.65 -3.68 0.44 0.00 -0.58 -4.89 117.12 110.61 1ek5 n MET 83 Ca -0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 57.70 57.38 1ek5 n MET 83 Cb 0.54 -1.57 -0.01 0.00 0.00 0.00 0.00 33.22 32.17 1ek5 n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ek5 s ALA 84 N -3.42 -1.82 -0.03 3.17 0.00 -1.26 -4.66 121.76 113.74 1ek5 s ALA 84 Ca -0.07 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1ek5 s ALA 84 Cb 0.13 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1ek5 s ALA 84 CO 0.88 -0.96 -0.11 0.08 0.00 0.00 0.00 175.76 175.65 1ek5 s VAL 85 N -3.04 0.96 -0.25 0.00 1.01 -0.70 -1.87 120.40 116.51 1ek5 s VAL 85 Ca 0.11 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1ek5 s VAL 85 Cb -0.00 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1ek5 s VAL 85 CO -0.01 0.29 -0.05 -0.63 0.00 0.00 0.00 175.10 174.70 1ek5 s ILE 86 N 0.18 3.00 -0.45 2.22 1.01 -0.28 -0.41 121.20 126.46 1ek5 s ILE 86 Ca -0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 1ek5 s ILE 86 Cb -0.10 -2.51 0.07 0.00 0.01 0.00 0.00 42.46 39.93 1ek5 s ILE 86 CO 0.01 0.21 0.35 -2.28 0.00 0.00 0.00 174.94 173.23 1ek5 s HIS 87 N 1.35 3.26 -0.02 3.97 2.46 0.03 -1.87 115.29 124.47 1ek5 s HIS 87 Ca 0.01 -1.01 0.08 0.00 0.47 0.00 0.00 55.06 54.61 1ek5 s HIS 87 Cb -0.16 -3.02 -0.12 0.00 -0.13 0.00 0.00 32.58 29.15 1ek5 s HIS 87 CO -0.04 -0.77 0.15 1.19 -2.47 0.00 0.00 174.74 172.80 1ek5 n PHE 88 N 5.13 0.00 -1.67 3.88 3.72 -1.00 -2.50 117.46 125.03 1ek5 n PHE 88 Ca -0.12 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.79 1ek5 n PHE 88 Cb 0.44 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.71 1ek5 n PHE 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ek5 n ALA 89 N -1.88 0.63 0.00 4.37 0.00 -1.11 -4.79 120.51 117.73 1ek5 n ALA 89 Ca -0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1ek5 n ALA 89 Cb 0.31 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1ek5 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek5 n GLY 90 N 3.77 0.80 3.80 0.00 0.00 -1.26 -4.92 105.19 107.37 1ek5 n GLY 90 Ca 0.21 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 1ek5 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ek5 s LEU 91 N 0.00 4.33 -0.00 0.99 1.43 -1.26 -5.02 118.68 119.14 1ek5 s LEU 91 Ca 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1ek5 s LEU 91 Cb 0.00 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1ek5 s LEU 91 CO 0.00 0.27 0.63 2.29 0.23 0.00 0.00 176.35 179.77 1ek5 n LYS 92 N 2.66 0.27 -2.71 1.70 -0.00 -1.26 -4.96 118.16 113.86 1ek5 n LYS 92 Ca -0.16 -0.69 -0.42 0.00 -0.00 0.00 0.00 58.31 57.03 1ek5 n LYS 92 Cb 0.53 -0.56 -0.03 0.00 -0.00 0.00 0.00 35.03 34.97 1ek5 n LYS 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ek5 s ALA 93 N -0.13 2.96 0.22 0.58 0.00 -1.26 -4.93 121.76 119.20 1ek5 s ALA 93 Ca 0.01 -1.56 -0.09 0.00 0.00 0.00 0.00 51.96 50.31 1ek5 s ALA 93 Cb 0.00 -4.03 0.33 0.00 0.00 0.00 0.00 23.12 19.43 1ek5 s ALA 93 CO 0.00 -2.96 1.68 0.28 0.00 0.00 0.00 175.76 174.76 1ek5 h VAL 94 N 6.01 0.55 -0.25 0.00 2.07 -1.92 0.17 116.25 122.87 1ek5 h VAL 94 Ca -0.28 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1ek5 h VAL 94 Cb 1.06 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1ek5 h VAL 94 CO 1.22 0.04 -0.04 1.23 0.02 0.00 0.00 177.57 180.03 1ek5 h GLY 95 N 0.20 0.41 2.00 2.17 0.00 -1.90 0.26 103.07 106.20 1ek5 h GLY 95 Ca 0.34 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1ek5 h GLY 95 CO -0.48 0.22 -0.31 -2.09 0.00 0.00 0.00 176.54 173.88 1ek5 h GLU 96 N 0.37 0.00 0.00 4.80 4.81 -1.52 -3.24 114.58 119.80 1ek5 h GLU 96 Ca 0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1ek5 h GLU 96 Cb 0.32 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1ek5 h GLU 96 CO 0.01 0.31 -0.12 0.66 -0.73 0.00 0.00 179.01 179.15 1ek5 h SER 97 N 0.00 0.00 -0.04 1.04 4.64 0.15 -1.83 113.55 117.50 1ek5 h SER 97 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1ek5 h SER 97 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ek5 h SER 97 CO 0.04 0.12 -0.61 0.58 -0.87 0.00 0.00 176.83 176.09 1ek5 h VAL 98 N 0.00 1.31 0.00 0.95 2.07 -1.58 -2.00 116.25 117.00 1ek5 h VAL 98 Ca -0.00 -1.86 -0.21 0.00 0.82 0.00 0.00 66.70 65.45 1ek5 h VAL 98 Cb 0.26 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1ek5 h VAL 98 CO 0.02 0.58 -1.08 -0.61 0.02 0.00 0.00 177.57 176.50 1ek5 h GLN 99 N 0.49 0.00 -1.28 1.57 4.15 -1.56 -3.38 115.11 115.09 1ek5 h GLN 99 Ca -0.01 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.89 1ek5 h GLN 99 Cb 1.19 0.00 -0.42 0.00 0.21 0.00 0.00 27.48 28.47 1ek5 h GLN 99 CO 0.12 0.85 -0.86 1.63 -1.93 0.00 0.00 178.83 178.64 1ek5 n LYS 100 N -3.28 2.85 -0.28 1.69 5.02 -0.73 -4.96 118.16 118.48 1ek5 n LYS 100 Ca -0.03 -4.15 0.09 0.00 -2.02 0.00 0.00 58.31 52.21 1ek5 n LYS 100 Cb 0.94 -1.99 0.24 0.00 -0.02 0.00 0.00 35.03 34.19 1ek5 n LYS 100 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1ek5 h PRO 101 N 2.64 0.23 -0.89 1.97 0.13 -1.55 -1.70 132.00 132.82 1ek5 h PRO 101 Ca 0.20 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.36 1ek5 h PRO 101 Cb 1.05 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.07 1ek5 h PRO 101 CO 0.74 0.15 0.57 -0.07 -0.23 0.00 0.00 178.00 179.15 1ek5 h LEU 102 N 0.23 0.92 -0.74 1.56 3.38 -1.93 0.15 115.31 118.88 1ek5 h LEU 102 Ca 0.49 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 1ek5 h LEU 102 Cb 0.91 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1ek5 h LEU 102 CO -0.60 0.61 0.25 0.44 0.09 0.00 0.00 178.44 179.23 1ek5 h ASP 103 N 1.07 1.07 0.13 -0.43 3.45 -1.72 0.37 116.42 120.35 1ek5 h ASP 103 Ca 0.37 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.63 1ek5 h ASP 103 Cb 0.10 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.59 1ek5 h ASP 103 CO -0.15 0.98 -0.06 1.88 -1.57 0.00 0.00 179.24 180.32 1ek5 h TYR 104 N 1.10 -0.16 -0.59 4.55 -1.99 -0.73 0.15 116.97 119.29 1ek5 h TYR 104 Ca 0.24 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.90 1ek5 h TYR 104 Cb 0.28 0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 1ek5 h TYR 104 CO 0.02 -0.10 0.08 1.88 -0.00 0.00 0.00 178.16 180.05 1ek5 h TYR 105 N -0.17 1.05 0.88 4.88 -1.99 -0.99 -0.17 116.97 120.45 1ek5 h TYR 105 Ca -0.02 -0.15 -0.04 0.00 2.00 0.00 0.00 58.73 60.52 1ek5 h TYR 105 Cb 0.13 -0.29 0.01 0.00 2.00 0.00 0.00 36.73 38.59 1ek5 h TYR 105 CO -0.07 0.92 -0.42 -0.09 -0.00 0.00 0.00 178.16 178.50 1ek5 h ARG 106 N 0.88 -1.13 0.32 4.88 2.43 -0.10 -0.81 114.38 120.84 1ek5 h ARG 106 Ca 0.18 0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1ek5 h ARG 106 Cb 0.44 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1ek5 h ARG 106 CO 0.01 -0.75 -0.15 0.28 -1.51 0.00 0.00 179.97 177.85 1ek5 h VAL 107 N -1.26 0.70 0.22 0.20 2.07 -0.98 -2.21 116.25 114.99 1ek5 h VAL 107 Ca -0.12 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1ek5 h VAL 107 Cb 0.91 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1ek5 h VAL 107 CO 0.20 0.02 -0.11 0.78 0.02 0.00 0.00 177.57 178.48 1ek5 h ASN 108 N -0.47 -0.25 0.26 0.57 4.21 -1.11 -1.83 115.58 116.97 1ek5 h ASN 108 Ca -0.04 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 1ek5 h ASN 108 Cb 0.35 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1ek5 h ASN 108 CO 0.07 0.08 -0.12 -0.07 -1.29 0.00 0.00 177.43 176.09 1ek5 h LEU 109 N -0.60 -0.30 -0.37 1.61 3.38 -1.26 -2.43 115.31 115.34 1ek5 h LEU 109 Ca -0.03 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1ek5 h LEU 109 Cb 0.44 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1ek5 h LEU 109 CO 0.05 0.20 0.22 0.74 0.09 0.00 0.00 178.44 179.74 1ek5 h THR 110 N -0.99 1.04 -0.39 0.22 2.02 -1.30 1.00 112.91 114.50 1ek5 h THR 110 Ca -0.04 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.04 1ek5 h THR 110 Cb 0.45 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1ek5 h THR 110 CO 0.06 0.08 0.15 1.23 0.37 0.00 0.00 175.52 177.41 1ek5 h GLY 111 N 0.44 0.51 0.96 2.16 0.00 -1.21 -0.82 103.07 105.11 1ek5 h GLY 111 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1ek5 h GLY 111 CO -0.07 0.04 0.22 -0.84 0.00 0.00 0.00 176.54 175.89 1ek5 h THR 112 N 0.31 1.17 -0.42 4.70 2.02 -1.02 -1.42 112.91 118.25 1ek5 h THR 112 Ca 0.18 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.93 1ek5 h THR 112 Cb 0.15 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1ek5 h THR 112 CO -0.17 0.18 0.18 0.40 0.37 0.00 0.00 175.52 176.48 1ek5 h ILE 113 N 0.55 0.92 -0.61 3.11 2.04 -0.41 0.63 117.51 123.75 1ek5 h ILE 113 Ca 0.15 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1ek5 h ILE 113 Cb 0.09 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 1ek5 h ILE 113 CO -0.02 0.07 0.33 -0.61 0.00 0.00 0.00 178.15 177.92 1ek5 h GLN 114 N 0.37 0.60 -0.07 2.37 5.75 -0.91 -0.79 115.11 122.44 1ek5 h GLN 114 Ca 0.19 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1ek5 h GLN 114 Cb 0.14 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1ek5 h GLN 114 CO -0.16 0.40 0.03 1.25 -2.65 0.00 0.00 178.83 177.70 1ek5 h LEU 115 N 0.62 0.09 -1.02 -2.39 5.85 -0.68 -1.97 115.31 115.81 1ek5 h LEU 115 Ca 0.27 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1ek5 h LEU 115 Cb 0.17 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1ek5 h LEU 115 CO -0.18 0.17 0.66 -0.07 -0.34 0.00 0.00 178.44 178.69 1ek5 h LEU 116 N -0.00 1.12 -0.41 2.25 3.38 -0.49 -0.06 115.31 121.10 1ek5 h LEU 116 Ca 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ek5 h LEU 116 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ek5 h LEU 116 CO -0.00 0.79 0.16 -0.33 0.09 0.00 0.00 178.44 179.15 1ek5 h GLU 117 N 1.31 0.62 -0.55 1.13 5.08 -0.95 0.11 114.58 121.32 1ek5 h GLU 117 Ca 0.38 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1ek5 h GLU 117 Cb -0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1ek5 h GLU 117 CO -0.10 0.58 -0.09 0.82 -1.00 0.00 0.00 179.01 179.22 1ek5 h ILE 118 N 0.52 1.27 -0.29 3.13 1.08 -1.08 0.34 117.51 122.48 1ek5 h ILE 118 Ca 0.14 -1.25 0.02 0.00 -0.39 0.00 0.00 64.86 63.38 1ek5 h ILE 118 Cb 0.19 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1ek5 h ILE 118 CO -0.01 0.44 0.14 0.24 -0.69 0.00 0.00 178.15 178.28 1ek5 h MET 119 N 0.92 0.29 -0.30 2.37 2.86 -0.80 0.11 114.93 120.39 1ek5 h MET 119 Ca 0.15 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1ek5 h MET 119 Cb 0.65 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1ek5 h MET 119 CO 0.05 0.19 0.18 -0.22 1.06 0.00 0.00 176.91 178.17 1ek5 h LYS 120 N 0.30 0.42 -0.33 1.72 3.64 -0.83 0.20 116.57 121.68 1ek5 h LYS 120 Ca 0.12 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1ek5 h LYS 120 Cb 0.03 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1ek5 h LYS 120 CO -0.08 0.34 0.09 0.00 -2.27 0.00 0.00 179.45 177.53 1ek5 h ALA 121 N 1.06 1.55 -0.19 5.00 0.00 -0.41 -2.52 119.26 123.75 1ek5 h ALA 121 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ek5 h ALA 121 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ek5 h ALA 121 CO -0.02 0.34 0.00 0.72 0.00 0.00 0.00 179.25 180.29 1ek5 n HIS 122 N -4.37 0.24 -1.31 0.00 8.25 0.35 -4.94 115.22 113.44 1ek5 n HIS 122 Ca 0.02 -0.12 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1ek5 n HIS 122 Cb 0.17 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1ek5 n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ek5 n GLY 123 N 1.25 0.91 3.34 -1.41 0.00 -0.30 -4.96 105.19 104.01 1ek5 n GLY 123 Ca 0.17 -0.68 -0.46 0.00 0.00 0.00 0.00 46.02 45.05 1ek5 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ek5 s VAL 124 N -2.30 5.59 -0.53 1.61 1.01 0.55 -4.90 120.40 121.43 1ek5 s VAL 124 Ca 0.00 -2.52 0.02 0.00 0.00 0.00 0.00 61.98 59.48 1ek5 s VAL 124 Cb 0.00 -4.52 0.51 0.00 0.00 0.00 0.00 36.38 32.37 1ek5 s VAL 124 CO 0.00 -1.09 1.83 0.29 0.00 0.00 0.00 175.10 176.13 1ek5 n LYS 125 N 4.05 2.62 -3.91 2.72 5.02 -1.26 -4.31 118.16 123.09 1ek5 n LYS 125 Ca 0.16 -3.34 -0.29 0.00 -2.02 0.00 0.00 58.31 52.83 1ek5 n LYS 125 Cb 0.46 -2.21 -0.16 0.00 -0.02 0.00 0.00 35.03 33.10 1ek5 n LYS 125 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1ek5 s ASN 126 N -2.03 3.00 0.02 4.39 0.01 -1.25 -0.44 114.94 118.63 1ek5 s ASN 126 Ca 0.59 -0.74 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 1ek5 s ASN 126 Cb 0.48 -0.98 -0.01 0.00 0.41 0.00 0.00 41.25 41.14 1ek5 s ASN 126 CO 0.02 -0.18 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.15 1ek5 s LEU 127 N 1.58 2.14 -0.20 0.60 2.96 -0.53 -1.72 118.68 123.51 1ek5 s LEU 127 Ca -0.00 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1ek5 s LEU 127 Cb -0.16 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.36 1ek5 s LEU 127 CO -0.08 -0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.02 1ek5 s VAL 128 N -0.78 2.35 -0.19 1.68 1.01 0.45 -1.00 120.40 123.91 1ek5 s VAL 128 Ca -0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1ek5 s VAL 128 Cb -0.06 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1ek5 s VAL 128 CO 0.00 0.47 -0.00 0.12 0.00 0.00 0.00 175.10 175.69 1ek5 s PHE 129 N 1.32 3.05 -0.75 5.22 2.19 0.34 -0.79 117.98 128.55 1ek5 s PHE 129 Ca 0.04 -0.41 -0.25 0.00 0.33 0.00 0.00 56.93 56.64 1ek5 s PHE 129 Cb -0.14 -2.07 0.05 0.00 -1.31 0.00 0.00 43.02 39.55 1ek5 s PHE 129 CO -0.10 -0.20 1.20 0.45 1.83 0.00 0.00 175.22 178.40 1ek5 s SER 130 N 0.90 6.22 0.00 6.13 0.15 -1.04 -1.19 113.70 124.86 1ek5 s SER 130 Ca 0.01 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.88 1ek5 s SER 130 Cb -0.14 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1ek5 s SER 130 CO 0.02 -1.66 0.00 -0.24 1.20 0.00 0.00 173.24 172.56 1ek5 n SER 131 N 8.72 0.00 -3.72 5.45 2.88 0.15 -4.93 113.62 122.17 1ek5 n SER 131 Ca 0.05 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.47 1ek5 n SER 131 Cb 0.48 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.83 1ek5 n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ek5 s SER 132 N -1.00 -0.38 0.00 -3.46 0.15 -1.26 -4.37 113.70 103.39 1ek5 s SER 132 Ca 0.00 0.70 0.15 0.00 0.70 0.00 0.00 55.95 57.51 1ek5 s SER 132 Cb 0.00 0.62 0.86 0.00 -1.71 0.00 0.00 66.02 65.79 1ek5 s SER 132 CO 0.00 -0.16 1.36 0.00 1.20 0.00 0.00 173.24 175.64 1ek5 n ALA 133 N 3.89 1.99 0.31 5.45 0.00 0.16 -2.68 120.51 129.63 1ek5 n ALA 133 Ca -0.21 -0.09 0.20 0.00 0.00 0.00 0.00 53.44 53.34 1ek5 n ALA 133 Cb 0.55 -1.25 1.01 0.00 0.00 0.00 0.00 19.45 19.77 1ek5 n ALA 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ek5 h THR 134 N 0.00 0.00 0.00 0.00 1.35 -1.95 -2.72 112.91 109.60 1ek5 h THR 134 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1ek5 h THR 134 Cb 0.05 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1ek5 h THR 134 CO 0.00 0.00 0.00 -0.37 -0.25 0.00 0.00 175.52 174.90 1ek5 h VAL 135 N 0.00 0.00 0.00 6.82 -1.51 -1.78 -0.44 116.25 119.34 1ek5 h VAL 135 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1ek5 h VAL 135 Cb 0.17 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1ek5 h VAL 135 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 177.57 178.22 1ek5 h TYR 136 N 0.00 0.00 -0.29 5.19 -1.99 -1.72 0.66 116.97 118.82 1ek5 h TYR 136 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ek5 h TYR 136 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1ek5 h TYR 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1ek5 n GLY 137 N 0.42 0.11 3.71 3.88 0.00 -0.17 -4.46 105.19 108.67 1ek5 n GLY 137 Ca 0.02 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1ek5 n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ek5 s ASN 138 N -4.00 6.99 0.19 1.61 0.02 -1.26 -4.92 114.94 113.56 1ek5 s ASN 138 Ca 0.00 2.11 -0.33 0.00 -1.02 0.00 0.00 52.86 53.62 1ek5 s ASN 138 Cb 0.00 -2.58 -0.14 0.00 0.02 0.00 0.00 41.25 38.55 1ek5 s ASN 138 CO 0.00 -0.54 1.51 -2.65 0.02 0.00 0.00 177.10 175.43 1ek5 n PRO 139 N 4.06 2.09 0.00 -0.60 -0.02 -1.26 -4.83 135.00 134.44 1ek5 n PRO 139 Ca 0.10 0.75 0.11 0.00 -2.02 0.00 0.00 63.50 62.44 1ek5 n PRO 139 Cb 0.45 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.45 1ek5 n PRO 139 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ek5 n GLN 140 N 2.83 0.04 -3.52 -0.52 6.02 -1.26 -4.94 117.38 116.03 1ek5 n GLN 140 Ca 0.15 -0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 57.02 1ek5 n GLN 140 Cb 0.30 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 1ek5 n GLN 140 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1ek5 s TYR 141 N -2.98 -0.34 0.03 1.08 1.13 -1.26 -5.19 117.35 109.83 1ek5 s TYR 141 Ca 0.09 0.29 0.05 0.00 -1.41 0.00 0.00 57.07 56.09 1ek5 s TYR 141 Cb 0.17 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.52 1ek5 s TYR 141 CO 0.81 -0.49 -0.14 -0.51 -2.51 0.00 0.00 175.55 172.71 1ek5 s LEU 142 N -2.20 2.16 0.67 -3.49 1.43 -1.26 -3.94 118.68 112.05 1ek5 s LEU 142 Ca 0.04 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1ek5 s LEU 142 Cb -0.01 -0.62 -0.00 0.00 0.03 0.00 0.00 46.19 45.59 1ek5 s LEU 142 CO -0.07 0.05 1.06 -2.16 0.23 0.00 0.00 176.35 175.46 1ek5 s PRO 143 N -1.07 3.02 0.04 1.29 0.04 -1.26 -5.08 135.00 131.98 1ek5 s PRO 143 Ca 0.02 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 1ek5 s PRO 143 Cb -0.08 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1ek5 s PRO 143 CO 0.01 -1.04 1.37 -0.51 0.04 0.00 0.00 177.00 176.87 1ek5 s LEU 144 N -5.29 4.34 0.49 -3.56 1.43 -0.69 -4.68 118.68 110.72 1ek5 s LEU 144 Ca 0.59 2.16 0.02 0.00 -1.03 0.00 0.00 54.13 55.88 1ek5 s LEU 144 Cb -0.15 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1ek5 s LEU 144 CO 0.50 -0.67 0.01 1.51 0.23 0.00 0.00 176.35 177.94 1ek5 s ASP 145 N 1.58 4.10 0.23 2.29 1.47 -1.26 -1.10 116.67 123.98 1ek5 s ASP 145 Ca 0.63 -1.59 0.17 0.00 1.18 0.00 0.00 52.55 52.94 1ek5 s ASP 145 Cb -0.33 0.34 0.87 0.00 -0.34 0.00 0.00 42.92 43.46 1ek5 s ASP 145 CO 0.28 -0.78 1.51 -0.62 0.68 0.00 0.00 175.17 176.24 1ek5 n GLU 146 N -1.22 0.11 0.00 2.11 4.71 -1.26 -0.91 120.64 124.18 1ek5 n GLU 146 Ca -0.16 0.58 0.12 0.00 -0.01 0.00 0.00 57.16 57.69 1ek5 n GLU 146 Cb 0.67 -1.84 0.17 0.00 -1.01 0.00 0.00 31.44 29.44 1ek5 n GLU 146 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ek5 n ALA 147 N -1.71 3.58 -1.80 0.62 0.00 -1.26 -4.93 120.51 115.02 1ek5 n ALA 147 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 1ek5 n ALA 147 Cb 0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1ek5 n ALA 147 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ek5 s HIS 148 N -2.69 3.10 0.41 0.00 5.04 -0.08 -4.95 115.29 116.13 1ek5 s HIS 148 Ca 0.17 1.39 -0.26 0.00 -1.54 0.00 0.00 55.06 54.82 1ek5 s HIS 148 Cb 0.18 -3.66 -0.10 0.00 0.04 0.00 0.00 32.58 29.04 1ek5 s HIS 148 CO 0.63 -1.83 1.26 -0.35 -2.34 0.00 0.00 174.74 172.11 1ek5 n PRO 149 N 1.11 1.90 -4.52 2.88 -0.04 -1.26 -4.98 135.00 130.10 1ek5 n PRO 149 Ca 0.01 0.68 -0.26 0.00 -0.04 0.00 0.00 63.50 63.89 1ek5 n PRO 149 Cb 0.42 -2.36 -0.10 0.00 -0.04 0.00 0.00 33.50 31.42 1ek5 n PRO 149 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ek5 s THR 150 N -1.19 2.30 0.00 0.52 -4.23 -1.26 -4.56 115.64 107.22 1ek5 s THR 150 Ca 0.61 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1ek5 s THR 150 Cb -0.52 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1ek5 s THR 150 CO 0.58 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1ek5 n GLY 151 N -0.80 0.88 0.06 3.99 0.00 0.23 -4.97 105.19 104.57 1ek5 n GLY 151 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.12 1ek5 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek5 n GLY 152 N -1.73 -0.94 3.46 -0.02 0.00 -1.24 -4.96 105.19 99.77 1ek5 n GLY 152 Ca 0.00 -0.22 -0.52 0.00 0.00 0.00 0.00 46.02 45.28 1ek5 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek5 n THR 154 N 0.75 1.44 -4.02 0.00 -2.24 -1.26 -4.81 114.28 104.14 1ek5 n THR 154 Ca 0.18 -0.84 -0.22 0.00 -2.27 0.00 0.00 64.05 60.90 1ek5 n THR 154 Cb 0.19 -0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 67.75 1ek5 n THR 154 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ek5 s ASN 155 N -5.66 5.26 0.33 3.42 2.20 -1.26 -5.02 114.94 114.21 1ek5 s ASN 155 Ca -0.08 -0.43 0.01 0.00 -0.94 0.00 0.00 52.86 51.42 1ek5 s ASN 155 Cb 0.07 -1.13 0.56 0.00 -2.00 0.00 0.00 41.25 38.75 1ek5 s ASN 155 CO 0.83 -0.17 1.95 -0.65 -2.94 0.00 0.00 177.10 176.12 1ek5 h PRO 156 N 1.45 0.82 0.20 3.55 0.11 -1.90 -1.85 132.00 134.37 1ek5 h PRO 156 Ca -0.46 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1ek5 h PRO 156 Cb 1.25 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ek5 h PRO 156 CO 0.60 0.61 -0.18 -0.92 -0.21 0.00 0.00 178.00 177.91 1ek5 h TYR 157 N 0.83 -0.46 -0.48 0.65 5.03 -1.87 -1.08 116.97 119.60 1ek5 h TYR 157 Ca 0.21 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.57 1ek5 h TYR 157 Cb 0.03 0.18 -0.05 0.00 1.55 0.00 0.00 36.73 38.44 1ek5 h TYR 157 CO 0.01 -0.27 0.21 0.78 -1.32 0.00 0.00 178.16 177.57 1ek5 h GLY 158 N -0.39 0.65 0.97 1.82 0.00 -1.91 -1.41 103.07 102.80 1ek5 h GLY 158 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1ek5 h GLY 158 CO -0.03 0.07 0.12 0.50 0.00 0.00 0.00 176.54 177.20 1ek5 h LYS 159 N 0.42 0.78 -0.93 4.80 1.57 -1.26 -2.00 116.57 119.95 1ek5 h LYS 159 Ca 0.22 -0.19 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1ek5 h LYS 159 Cb 0.17 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1ek5 h LYS 159 CO -0.18 0.76 0.60 0.66 -0.57 0.00 0.00 179.45 180.72 1ek5 h SER 160 N 0.67 0.92 0.24 0.86 4.64 -0.38 0.19 113.55 120.69 1ek5 h SER 160 Ca 0.15 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1ek5 h SER 160 Cb 0.32 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1ek5 h SER 160 CO 0.00 0.58 -0.12 0.11 -0.87 0.00 0.00 176.83 176.53 1ek5 h LYS 161 N 1.04 -0.31 -0.81 4.77 1.79 -0.95 -2.10 116.57 120.00 1ek5 h LYS 161 Ca 0.41 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.94 1ek5 h LYS 161 Cb 0.24 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.92 1ek5 h LYS 161 CO -0.16 -0.12 0.53 0.35 -1.08 0.00 0.00 179.45 178.97 1ek5 h PHE 162 N -0.44 0.97 -0.37 -1.35 3.57 -0.95 -1.07 116.94 117.29 1ek5 h PHE 162 Ca -0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1ek5 h PHE 162 Cb 0.34 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1ek5 h PHE 162 CO -0.03 0.56 0.11 0.74 -2.23 0.00 0.00 178.31 177.46 1ek5 h PHE 163 N 1.00 0.61 -0.24 0.41 0.04 -0.48 -2.08 116.94 116.19 1ek5 h PHE 163 Ca 0.32 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 1ek5 h PHE 163 Cb 0.04 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 1ek5 h PHE 163 CO -0.00 0.58 0.14 0.82 -0.60 0.00 0.00 178.31 179.26 1ek5 h ILE 164 N 0.46 1.10 -0.79 -0.55 2.04 -0.87 -1.27 117.51 117.62 1ek5 h ILE 164 Ca 0.12 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1ek5 h ILE 164 Cb 0.27 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1ek5 h ILE 164 CO -0.00 0.09 0.46 -0.33 0.00 0.00 0.00 178.15 178.37 1ek5 h GLU 165 N 0.30 0.78 -0.58 2.37 5.08 -1.03 -0.74 114.58 120.75 1ek5 h GLU 165 Ca 0.09 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1ek5 h GLU 165 Cb 0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1ek5 h GLU 165 CO -0.02 0.52 0.17 0.93 -1.00 0.00 0.00 179.01 179.61 1ek5 h GLU 166 N 0.81 0.91 -0.71 2.33 4.39 -1.02 -0.72 114.58 120.57 1ek5 h GLU 166 Ca 0.37 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1ek5 h GLU 166 Cb 0.27 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1ek5 h GLU 166 CO -0.21 0.83 0.21 0.52 -1.16 0.00 0.00 179.01 179.19 1ek5 h MET 167 N 0.82 1.12 -0.40 2.33 2.86 -0.69 0.25 114.93 121.22 1ek5 h MET 167 Ca 0.19 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1ek5 h MET 167 Cb 0.31 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1ek5 h MET 167 CO -0.00 0.97 0.23 0.82 1.06 0.00 0.00 176.91 179.98 1ek5 h ILE 168 N 1.06 1.15 -0.42 -1.22 2.04 -0.71 -1.65 117.51 117.76 1ek5 h ILE 168 Ca 0.23 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1ek5 h ILE 168 Cb 0.33 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1ek5 h ILE 168 CO -0.00 0.15 0.21 0.03 0.00 0.00 0.00 178.15 178.53 1ek5 h ARG 169 N 0.52 0.41 -0.74 2.37 3.08 -0.85 -1.61 114.38 117.55 1ek5 h ARG 169 Ca 0.14 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1ek5 h ARG 169 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1ek5 h ARG 169 CO -0.02 0.27 0.37 -0.44 -1.07 0.00 0.00 179.97 179.07 1ek5 h ASP 170 N 0.42 0.95 -0.69 7.04 3.45 -0.68 -1.41 116.42 125.49 1ek5 h ASP 170 Ca 0.18 -0.10 -0.06 0.00 0.43 0.00 0.00 57.03 57.48 1ek5 h ASP 170 Cb 0.08 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.58 1ek5 h ASP 170 CO -0.12 0.79 0.20 0.25 -1.57 0.00 0.00 179.24 178.79 1ek5 h LEU 171 N 1.05 1.02 -0.84 1.55 5.85 -0.75 -1.32 115.31 121.87 1ek5 h LEU 171 Ca 0.26 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1ek5 h LEU 171 Cb 0.09 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1ek5 h LEU 171 CO -0.03 0.97 -0.32 0.00 -0.34 0.00 0.00 178.44 178.71 1ek5 h GLN 173 N 0.42 0.63 0.00 0.00 4.15 -0.84 -3.17 115.11 116.30 1ek5 h GLN 173 Ca 0.05 -0.21 -0.25 0.00 0.77 0.00 0.00 58.65 59.02 1ek5 h GLN 173 Cb 0.77 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 1ek5 h GLN 173 CO 0.06 0.75 -1.31 0.00 -1.93 0.00 0.00 178.83 176.40 1ek5 h ALA 174 N 1.27 0.53 -2.92 3.38 0.00 -0.87 -3.43 119.26 117.22 1ek5 h ALA 174 Ca 0.10 -1.15 -0.50 0.00 0.00 0.00 0.00 54.91 53.35 1ek5 h ALA 174 Cb 0.58 0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.09 1ek5 h ALA 174 CO 0.04 1.39 -0.77 0.34 0.00 0.00 0.00 179.25 180.25 1ek5 s ASP 175 N -6.45 3.03 0.33 0.00 3.68 0.12 -4.99 116.67 112.39 1ek5 s ASP 175 Ca -0.02 -1.00 0.24 0.00 2.13 0.00 0.00 52.55 53.91 1ek5 s ASP 175 Cb 0.09 -0.32 1.19 0.00 -1.45 0.00 0.00 42.92 42.43 1ek5 s ASP 175 CO 0.82 -0.40 1.74 0.11 0.13 0.00 0.00 175.17 177.57 1ek5 h LYS 176 N 8.40 0.00 0.00 4.34 1.57 -1.83 -1.61 116.57 127.44 1ek5 h LYS 176 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1ek5 h LYS 176 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1ek5 h LYS 176 CO 0.37 0.00 -0.12 0.25 -0.57 0.00 0.00 179.45 179.39 1ek5 n THR 177 N -2.34 0.07 -2.55 -0.16 -2.24 -1.26 -4.84 114.28 100.97 1ek5 n THR 177 Ca -0.00 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 1ek5 n THR 177 Cb 0.11 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 67.95 1ek5 n THR 177 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ek5 s TRP 178 N -3.02 3.61 -0.07 4.78 0.52 -0.60 -4.91 118.94 119.25 1ek5 s TRP 178 Ca 0.13 1.74 0.05 0.00 0.02 0.00 0.00 56.10 58.03 1ek5 s TRP 178 Cb 0.18 -3.19 -0.00 0.00 -1.15 0.00 0.00 33.47 29.31 1ek5 s TRP 178 CO 0.58 -0.35 -0.22 -0.80 0.02 0.00 0.00 176.95 176.18 1ek5 s ASN 179 N -1.07 2.75 -0.17 2.95 0.01 0.42 -4.10 114.94 115.73 1ek5 s ASN 179 Ca 0.46 -0.47 -0.10 0.00 -0.71 0.00 0.00 52.86 52.04 1ek5 s ASN 179 Cb -0.29 -0.99 0.06 0.00 0.41 0.00 0.00 41.25 40.44 1ek5 s ASN 179 CO 0.37 0.17 0.41 0.00 -1.51 0.00 0.00 177.10 176.54 1ek5 s ALA 180 N 0.14 -1.04 -0.18 0.60 0.00 0.73 -1.45 121.76 120.57 1ek5 s ALA 180 Ca -0.10 1.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.33 1ek5 s ALA 180 Cb -0.15 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 1ek5 s ALA 180 CO 0.05 -0.26 -0.11 0.08 0.00 0.00 0.00 175.76 175.52 1ek5 s VAL 181 N 1.28 2.96 -0.29 0.00 1.01 -0.17 -0.00 120.40 125.18 1ek5 s VAL 181 Ca -0.09 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 1ek5 s VAL 181 Cb -0.08 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1ek5 s VAL 181 CO -0.11 0.49 0.11 -0.76 0.00 0.00 0.00 175.10 174.82 1ek5 s LEU 182 N 0.99 3.82 -0.27 3.92 1.43 0.38 -0.50 118.68 128.45 1ek5 s LEU 182 Ca -0.01 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 1ek5 s LEU 182 Cb -0.15 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1ek5 s LEU 182 CO -0.02 -0.14 0.14 -0.76 0.23 0.00 0.00 176.35 175.81 1ek5 s LEU 183 N 1.59 3.80 -0.25 1.79 1.43 -0.34 -1.28 118.68 125.41 1ek5 s LEU 183 Ca 0.05 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1ek5 s LEU 183 Cb -0.16 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1ek5 s LEU 183 CO 0.04 -0.05 0.11 -0.13 0.23 0.00 0.00 176.35 176.54 1ek5 s ARG 184 N 1.69 3.77 0.21 1.70 0.52 -0.63 0.32 118.95 126.53 1ek5 s ARG 184 Ca 0.07 -0.42 -0.07 0.00 -0.52 0.00 0.00 55.73 54.78 1ek5 s ARG 184 Cb -0.16 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 1ek5 s ARG 184 CO 0.08 -0.15 0.30 1.52 0.02 0.00 0.00 175.30 177.07 1ek5 s TYR 185 N 1.56 0.68 0.00 -0.53 1.13 -1.26 -1.36 117.35 117.57 1ek5 s TYR 185 Ca 0.06 -0.99 0.00 0.00 -1.41 0.00 0.00 57.07 54.73 1ek5 s TYR 185 Cb -0.15 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.55 1ek5 s TYR 185 CO 0.06 -0.80 0.00 1.19 -2.51 0.00 0.00 175.55 173.49 1ek5 n PHE 186 N -0.30 0.00 -3.73 -3.49 3.72 -1.26 0.36 117.46 112.76 1ek5 n PHE 186 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.01 1ek5 n PHE 186 Cb 0.64 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.05 1ek5 n PHE 186 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1ek5 s ASN 187 N -1.00 5.26 0.26 4.37 0.01 -0.49 -4.89 114.94 118.46 1ek5 s ASN 187 Ca 0.00 -0.76 -0.30 0.00 -0.71 0.00 0.00 52.86 51.09 1ek5 s ASN 187 Cb 0.00 -1.91 -0.09 0.00 0.41 0.00 0.00 41.25 39.66 1ek5 s ASN 187 CO 0.00 -0.23 1.11 -2.16 -1.51 0.00 0.00 177.10 174.31 1ek5 s PRO 188 N 1.51 4.62 0.33 -0.60 0.04 -1.26 -0.76 135.00 138.88 1ek5 s PRO 188 Ca 0.02 1.81 -0.10 0.00 0.04 0.00 0.00 61.00 62.77 1ek5 s PRO 188 Cb -0.18 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1ek5 s PRO 188 CO 0.03 0.17 0.58 -0.08 0.04 0.00 0.00 177.00 177.74 1ek5 s THR 189 N -0.97 0.00 0.00 1.26 -1.32 -0.07 -4.87 115.64 109.66 1ek5 s THR 189 Ca 0.46 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 1ek5 s THR 189 Cb -0.32 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 1ek5 s THR 189 CO 0.40 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 1ek5 n GLY 190 N -0.50 -1.80 3.66 6.08 0.00 -1.26 -0.27 105.19 111.09 1ek5 n GLY 190 Ca -0.03 -1.53 -0.00 0.00 0.00 0.00 0.00 46.02 44.46 1ek5 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek5 s ALA 191 N -1.23 -2.04 0.27 4.61 0.00 -1.26 -4.64 121.76 117.47 1ek5 s ALA 191 Ca 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 1ek5 s ALA 191 Cb 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 23.12 23.41 1ek5 s ALA 191 CO 0.00 -1.02 1.21 1.58 0.00 0.00 0.00 175.76 177.53 1ek5 n HIS 192 N -0.46 1.77 0.15 0.00 -0.00 -1.25 -4.78 115.22 110.66 1ek5 n HIS 192 Ca -0.07 0.59 0.19 0.00 0.46 0.00 0.00 57.72 58.89 1ek5 n HIS 192 Cb 0.62 -2.35 0.77 0.00 -0.12 0.00 0.00 29.99 28.91 1ek5 n HIS 192 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ek5 h ALA 193 N 2.91 1.92 -0.34 1.57 0.00 -1.92 0.46 119.26 123.87 1ek5 h ALA 193 Ca -0.43 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1ek5 h ALA 193 Cb 1.31 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1ek5 h ALA 193 CO 0.66 -0.55 0.01 0.66 0.00 0.00 0.00 179.25 180.03 1ek5 h SER 194 N 0.00 0.49 0.00 0.00 4.64 -1.93 -3.46 113.55 113.28 1ek5 h SER 194 Ca 0.14 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ek5 h SER 194 Cb 0.93 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1ek5 h SER 194 CO -0.00 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 1ek5 n GLY 195 N -0.90 0.66 0.12 -0.77 0.00 0.15 -4.90 105.19 99.55 1ek5 n GLY 195 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1ek5 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek5 s ILE 197 N -3.05 0.66 -1.39 0.00 -4.36 -1.26 -5.01 121.20 106.78 1ek5 s ILE 197 Ca 0.01 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1ek5 s ILE 197 Cb 0.08 -1.51 0.00 0.00 1.25 0.00 0.00 42.46 42.28 1ek5 s ILE 197 CO 0.77 -0.80 0.00 0.61 0.24 0.00 0.00 174.94 175.77 1ek5 n GLY 198 N 0.20 -0.58 3.67 6.27 0.00 -1.26 -3.75 105.19 109.74 1ek5 n GLY 198 Ca -0.14 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1ek5 n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ek5 s GLU 199 N -0.56 4.20 0.69 1.61 2.12 -1.26 -4.82 118.70 120.69 1ek5 s GLU 199 Ca 0.00 0.38 -0.15 0.00 0.36 0.00 0.00 54.97 55.56 1ek5 s GLU 199 Cb 0.00 -3.54 0.02 0.00 0.26 0.00 0.00 34.13 30.86 1ek5 s GLU 199 CO 0.00 -0.10 1.14 -0.51 -0.54 0.00 0.00 175.26 175.26 1ek5 s ASP 200 N 1.08 4.73 0.05 -1.70 1.01 -1.26 -4.90 116.67 115.68 1ek5 s ASP 200 Ca 0.23 2.13 -0.33 0.00 0.71 0.00 0.00 52.55 55.29 1ek5 s ASP 200 Cb -0.15 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.10 1ek5 s ASP 200 CO 0.09 -1.89 1.81 -0.81 0.21 0.00 0.00 175.17 174.58 1ek5 n PRO 201 N -2.57 2.45 -3.63 8.23 -0.04 -1.26 -4.97 135.00 133.20 1ek5 n PRO 201 Ca 0.11 0.89 -0.35 0.00 -0.04 0.00 0.00 63.50 64.12 1ek5 n PRO 201 Cb 0.51 -2.75 -0.05 0.00 -0.04 0.00 0.00 33.50 31.17 1ek5 n PRO 201 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ek5 s GLN 202 N 2.97 3.70 0.15 0.54 -1.52 -1.26 -5.04 119.66 119.21 1ek5 s GLN 202 Ca 0.86 0.09 -0.17 0.00 -1.95 0.00 0.00 55.36 54.19 1ek5 s GLN 202 Cb -0.59 -3.02 0.06 0.00 -0.22 0.00 0.00 33.01 29.24 1ek5 s GLN 202 CO 0.43 0.59 1.73 0.78 -0.25 0.00 0.00 175.29 178.56 1ek5 h GLY 203 N 3.77 0.39 -6.83 3.09 0.00 -2.05 -3.35 103.07 98.09 1ek5 h GLY 203 Ca -0.49 -0.01 -0.60 0.00 0.00 0.00 0.00 47.33 46.22 1ek5 h GLY 203 CO 0.67 -0.03 -0.77 -0.42 0.00 0.00 0.00 176.54 175.98 1ek5 s ILE 204 N -6.17 1.26 0.57 2.60 1.01 -1.26 -5.12 121.20 114.09 1ek5 s ILE 204 Ca -0.13 -2.73 -0.18 0.00 0.00 0.00 0.00 60.65 57.60 1ek5 s ILE 204 Cb 0.12 -1.87 -0.08 0.00 0.01 0.00 0.00 42.46 40.65 1ek5 s ILE 204 CO 0.71 -0.99 0.68 -2.65 0.00 0.00 0.00 174.94 172.68 1ek5 n PRO 205 N 3.22 0.65 0.05 2.79 -0.02 -1.26 -4.75 135.00 135.68 1ek5 n PRO 205 Ca 0.15 0.25 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 1ek5 n PRO 205 Cb 0.38 -1.85 0.08 0.00 -0.02 0.00 0.00 33.50 32.09 1ek5 n PRO 205 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ek5 n ASN 206 N 0.13 0.66 -3.30 2.55 3.02 -1.26 -4.90 115.26 112.16 1ek5 n ASN 206 Ca 0.12 -0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.49 1ek5 n ASN 206 Cb 0.47 0.52 -0.07 0.00 -0.61 0.00 0.00 39.78 40.09 1ek5 n ASN 206 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ek5 s ASN 207 N -4.23 1.47 0.23 6.41 2.20 -1.26 -5.07 114.94 114.68 1ek5 s ASN 207 Ca 0.04 -1.69 0.00 0.00 -0.94 0.00 0.00 52.86 50.27 1ek5 s ASN 207 Cb 0.13 0.59 0.23 0.00 -2.00 0.00 0.00 41.25 40.21 1ek5 s ASN 207 CO 0.77 -1.14 1.58 0.25 -2.94 0.00 0.00 177.10 175.62 1ek5 h LEU 208 N 2.12 0.51 -0.74 3.54 5.85 -2.01 -3.38 115.31 121.20 1ek5 h LEU 208 Ca -0.26 -0.24 0.16 0.00 0.84 0.00 0.00 57.88 58.38 1ek5 h LEU 208 Cb 1.23 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.01 1ek5 h LEU 208 CO 0.37 0.90 0.18 0.24 -0.34 0.00 0.00 178.44 179.79 1ek5 h MET 209 N 0.38 0.26 -0.53 1.25 2.86 -1.98 -0.80 114.93 116.37 1ek5 h MET 209 Ca 0.02 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1ek5 h MET 209 Cb 0.96 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 1ek5 h MET 209 CO 0.08 0.17 0.35 -1.00 1.06 0.00 0.00 176.91 177.57 1ek5 h PRO 210 N 0.27 0.66 -0.17 -0.22 0.14 -1.98 0.34 132.00 131.03 1ek5 h PRO 210 Ca 0.42 -0.04 -0.06 0.00 0.14 0.00 0.00 66.00 66.46 1ek5 h PRO 210 Cb 0.73 -0.15 -0.00 0.00 0.14 0.00 0.00 31.00 31.72 1ek5 h PRO 210 CO -0.52 0.44 -0.13 1.88 0.14 0.00 0.00 178.00 179.81 1ek5 h TYR 211 N 0.68 0.45 -0.24 1.56 0.05 -1.45 0.94 116.97 118.95 1ek5 h TYR 211 Ca 0.20 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1ek5 h TYR 211 Cb -0.02 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1ek5 h TYR 211 CO -0.00 0.73 0.11 0.28 -1.05 0.00 0.00 178.16 178.23 1ek5 h VAL 212 N 0.03 1.15 -0.02 -2.88 2.07 -0.84 -2.48 116.25 113.28 1ek5 h VAL 212 Ca 0.03 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1ek5 h VAL 212 Cb 0.64 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1ek5 h VAL 212 CO 0.03 0.15 -0.13 -1.28 0.02 0.00 0.00 177.57 176.37 1ek5 h SER 213 N 0.26 0.02 -0.32 0.57 0.87 -0.21 -2.75 113.55 111.99 1ek5 h SER 213 Ca 0.08 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.46 1ek5 h SER 213 Cb 0.14 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1ek5 h SER 213 CO -0.01 0.15 -0.50 1.56 -0.53 0.00 0.00 176.83 177.51 1ek5 h GLN 214 N 0.02 0.90 -0.42 2.24 4.20 -0.38 -3.02 115.11 118.65 1ek5 h GLN 214 Ca 0.00 -0.54 -0.00 0.00 0.06 0.00 0.00 58.65 58.17 1ek5 h GLN 214 Cb 0.24 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1ek5 h GLN 214 CO 0.02 1.18 0.25 0.28 -0.67 0.00 0.00 178.83 179.89 1ek5 h VAL 215 N 0.69 1.12 -0.48 -0.54 2.07 -1.21 -1.64 116.25 116.26 1ek5 h VAL 215 Ca 0.03 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1ek5 h VAL 215 Cb 1.10 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1ek5 h VAL 215 CO 0.11 0.12 -0.11 0.00 0.02 0.00 0.00 177.57 177.71 1ek5 h ALA 216 N 1.71 0.67 -0.00 1.67 0.00 -1.38 -2.76 119.26 119.17 1ek5 h ALA 216 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ek5 h ALA 216 Cb -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ek5 h ALA 216 CO -0.03 0.57 -0.01 -0.89 0.00 0.00 0.00 179.25 178.89 1ek5 n ILE 217 N -4.22 0.00 -0.48 0.00 5.41 -0.98 -4.82 119.36 114.27 1ek5 n ILE 217 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1ek5 n ILE 217 Cb 0.39 -0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 1ek5 n ILE 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ek5 n GLY 218 N 1.09 1.95 0.00 7.39 0.00 -0.79 -4.84 105.19 110.00 1ek5 n GLY 218 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1ek5 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ek5 n ARG 219 N -2.00 0.33 -3.64 1.61 1.74 -0.69 -4.45 116.66 109.56 1ek5 n ARG 219 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1ek5 n ARG 219 Cb 0.00 -1.35 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 1ek5 n ARG 219 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ek5 s ARG 220 N -2.00 0.78 0.01 5.56 3.52 -1.15 -4.89 118.95 120.76 1ek5 s ARG 220 Ca 0.11 1.10 -0.06 0.00 -0.13 0.00 0.00 55.73 56.75 1ek5 s ARG 220 Cb 0.05 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.69 1ek5 s ARG 220 CO 0.08 -0.12 0.93 0.93 -0.81 0.00 0.00 175.30 176.31 1ek5 h GLU 221 N 5.93 -0.19 -4.03 5.12 5.08 -1.89 -3.36 114.58 121.24 1ek5 h GLU 221 Ca -0.29 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 57.95 1ek5 h GLU 221 Cb 1.19 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.32 1ek5 h GLU 221 CO 0.10 -0.13 -0.60 0.00 -1.00 0.00 0.00 179.01 177.38 1ek5 s ALA 222 N -3.43 0.21 0.05 3.43 0.00 -1.26 -4.63 121.76 116.13 1ek5 s ALA 222 Ca -0.03 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 1ek5 s ALA 222 Cb 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 23.34 1ek5 s ALA 222 CO 0.09 -0.34 0.47 -1.17 0.00 0.00 0.00 175.76 174.81 1ek5 s LEU 223 N -2.49 4.45 -0.16 0.00 2.96 0.47 -4.88 118.68 119.03 1ek5 s LEU 223 Ca 0.00 1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 54.79 1ek5 s LEU 223 Cb 0.03 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1ek5 s LEU 223 CO -0.07 0.26 0.38 0.20 -1.32 0.00 0.00 176.35 175.79 1ek5 s ASN 224 N -1.28 6.50 -0.39 3.68 0.02 -1.26 0.95 114.94 123.16 1ek5 s ASN 224 Ca 0.29 0.59 -0.05 0.00 -1.02 0.00 0.00 52.86 52.67 1ek5 s ASN 224 Cb -0.17 -2.23 0.08 0.00 0.02 0.00 0.00 41.25 38.96 1ek5 s ASN 224 CO 0.16 0.01 0.18 -0.69 0.02 0.00 0.00 177.10 176.78 1ek5 s VAL 225 N 0.79 3.63 -1.06 1.60 1.01 0.96 -4.91 120.40 122.42 1ek5 s VAL 225 Ca 0.20 -1.59 -0.23 0.00 0.00 0.00 0.00 61.98 60.35 1ek5 s VAL 225 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1ek5 s VAL 225 CO 0.07 -0.46 1.87 -0.36 0.00 0.00 0.00 175.10 176.22 1ek5 s PHE 226 N 1.29 2.03 0.00 5.22 0.40 -1.26 -0.51 117.98 125.15 1ek5 s PHE 226 Ca 0.03 0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1ek5 s PHE 226 Cb -0.22 -4.16 0.00 0.00 0.51 0.00 0.00 43.02 39.15 1ek5 s PHE 226 CO -0.01 -1.56 0.00 0.41 0.70 0.00 0.00 175.22 174.76 1ek5 n GLY 227 N 6.33 1.01 0.38 4.36 0.00 -0.46 -4.31 105.19 112.51 1ek5 n GLY 227 Ca 0.42 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1ek5 n GLY 227 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ek5 n ASN 228 N -0.19 0.00 -0.86 1.61 6.94 -1.26 -4.52 115.26 116.97 1ek5 n ASN 228 Ca 0.00 -1.74 0.08 0.00 -0.02 0.00 0.00 54.58 52.90 1ek5 n ASN 228 Cb 0.00 -0.15 0.25 0.00 -2.36 0.00 0.00 39.78 37.52 1ek5 n ASN 228 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1ek5 n ASP 229 N 0.00 3.81 -4.84 0.53 3.85 -1.14 -4.36 116.55 114.40 1ek5 n ASP 229 Ca 0.00 -2.96 -0.31 0.00 -0.71 0.00 0.00 54.79 50.80 1ek5 n ASP 229 Cb 0.65 -0.53 0.02 0.00 -1.35 0.00 0.00 41.12 39.91 1ek5 n ASP 229 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1ek5 s TYR 230 N -2.73 3.31 -1.08 2.11 2.02 0.38 -4.88 117.35 116.48 1ek5 s TYR 230 Ca 0.41 1.40 -0.07 0.00 -0.37 0.00 0.00 57.07 58.44 1ek5 s TYR 230 Cb 0.33 -2.84 -0.10 0.00 -0.40 0.00 0.00 41.96 38.95 1ek5 s TYR 230 CO 0.09 -0.91 2.66 -0.25 -1.57 0.00 0.00 175.55 175.58 1ek5 n ASP 231 N -2.59 6.59 -4.75 2.29 10.43 -1.26 -3.91 116.55 123.35 1ek5 n ASP 231 Ca 0.07 -2.43 -0.28 0.00 2.57 0.00 0.00 54.79 54.72 1ek5 n ASP 231 Cb 0.54 -1.32 -0.07 0.00 1.84 0.00 0.00 41.12 42.11 1ek5 n ASP 231 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1ek5 s THR 232 N 2.49 1.83 0.30 -3.53 -4.23 -1.26 -4.97 115.64 106.27 1ek5 s THR 232 Ca 0.56 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.31 1ek5 s THR 232 Cb 0.16 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.67 1ek5 s THR 232 CO -0.04 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 175.76 1ek5 h GLU 233 N 1.37 0.80 -0.05 3.99 4.81 -1.88 -2.76 114.58 120.86 1ek5 h GLU 233 Ca -0.42 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ek5 h GLU 233 Cb 1.27 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1ek5 h GLU 233 CO 0.71 0.53 0.00 -0.40 -0.73 0.00 0.00 179.01 179.12 1ek5 n ASP 234 N -4.70 1.74 0.00 1.04 5.68 -1.26 -5.00 116.55 114.05 1ek5 n ASP 234 Ca 0.22 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1ek5 n ASP 234 Cb 0.51 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1ek5 n ASP 234 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ek5 n GLY 235 N -0.04 2.90 3.89 6.12 0.00 -1.04 -4.93 105.19 112.09 1ek5 n GLY 235 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1ek5 n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ek5 s THR 236 N -1.56 4.83 0.34 2.61 -4.23 -1.26 0.14 115.64 116.52 1ek5 s THR 236 Ca 0.00 0.45 -0.29 0.00 -1.18 0.00 0.00 61.69 60.67 1ek5 s THR 236 Cb 0.00 -3.82 -0.10 0.00 1.34 0.00 0.00 72.50 69.91 1ek5 s THR 236 CO 0.00 -0.78 1.37 -0.83 -0.54 0.00 0.00 174.62 173.84 1ek5 s GLY 237 N -3.79 2.93 -0.27 3.99 0.00 -1.26 -4.67 107.32 104.25 1ek5 s GLY 237 Ca 0.50 1.37 -0.08 0.00 0.00 0.00 0.00 44.72 46.50 1ek5 s GLY 237 CO 0.41 2.05 0.11 0.14 0.00 0.00 0.00 173.10 175.81 1ek5 s VAL 238 N -1.04 4.53 0.32 1.40 1.01 0.13 -1.95 120.40 124.80 1ek5 s VAL 238 Ca 0.51 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.42 1ek5 s VAL 238 Cb -0.42 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1ek5 s VAL 238 CO 0.55 0.27 -0.09 -0.13 0.00 0.00 0.00 175.10 175.70 1ek5 s ARG 239 N 1.64 1.73 -0.30 2.72 1.81 -0.47 0.96 118.95 127.04 1ek5 s ARG 239 Ca 0.06 -1.88 -0.08 0.00 -1.72 0.00 0.00 55.73 52.11 1ek5 s ARG 239 Cb -0.16 -1.56 -0.00 0.00 -0.45 0.00 0.00 34.95 32.78 1ek5 s ARG 239 CO 0.05 0.13 0.12 0.34 -0.68 0.00 0.00 175.30 175.26 1ek5 s ASP 240 N -3.55 5.36 0.01 0.23 3.68 -1.05 -0.19 116.67 121.16 1ek5 s ASP 240 Ca 0.31 -0.54 0.07 0.00 2.13 0.00 0.00 52.55 54.52 1ek5 s ASP 240 Cb 0.02 -1.95 -0.02 0.00 -1.45 0.00 0.00 42.92 39.52 1ek5 s ASP 240 CO 0.15 -0.17 -0.21 -0.31 0.13 0.00 0.00 175.17 174.75 1ek5 s TYR 241 N 1.58 1.89 -0.02 -5.34 2.02 -1.26 -1.40 117.35 114.82 1ek5 s TYR 241 Ca 0.04 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 1ek5 s TYR 241 Cb -0.17 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 1ek5 s TYR 241 CO 0.05 0.02 -0.09 -1.50 -1.57 0.00 0.00 175.55 172.47 1ek5 s ILE 242 N -0.63 0.72 0.10 2.71 2.07 0.07 -4.56 121.20 121.68 1ek5 s ILE 242 Ca 0.08 -0.35 -0.31 0.00 -1.41 0.00 0.00 60.65 58.66 1ek5 s ILE 242 Cb -0.08 -0.63 -0.08 0.00 0.13 0.00 0.00 42.46 41.79 1ek5 s ILE 242 CO 0.00 0.22 1.58 -2.28 -1.91 0.00 0.00 174.94 172.55 1ek5 s HIS 243 N 0.07 2.74 0.46 3.50 5.65 -1.26 -0.90 115.29 125.56 1ek5 s HIS 243 Ca -0.01 0.52 0.23 0.00 0.25 0.00 0.00 55.06 56.06 1ek5 s HIS 243 Cb -0.07 -3.90 1.25 0.00 -1.18 0.00 0.00 32.58 28.68 1ek5 s HIS 243 CO 0.00 -3.44 1.85 -0.24 -0.65 0.00 0.00 174.74 172.25 1ek5 h VAL 244 N 4.52 0.59 -0.14 0.89 3.04 -0.93 -0.19 116.25 124.03 1ek5 h VAL 244 Ca -0.42 -0.09 -0.06 0.00 -1.01 0.00 0.00 66.70 65.12 1ek5 h VAL 244 Cb 1.20 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1ek5 h VAL 244 CO 0.92 0.05 -0.16 0.58 -1.01 0.00 0.00 177.57 177.94 1ek5 h VAL 245 N 0.25 1.35 -0.60 1.51 2.07 -1.89 0.39 116.25 119.32 1ek5 h VAL 245 Ca 0.49 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1ek5 h VAL 245 Cb 1.48 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 1ek5 h VAL 245 CO -0.14 0.39 0.39 0.44 0.02 0.00 0.00 177.57 178.67 1ek5 h ASP 246 N -0.03 0.65 -0.75 0.57 3.32 -1.59 -0.47 116.42 118.12 1ek5 h ASP 246 Ca 0.02 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1ek5 h ASP 246 Cb 0.70 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1ek5 h ASP 246 CO 0.04 0.46 0.34 0.25 -1.72 0.00 0.00 179.24 178.61 1ek5 h LEU 247 N 0.78 0.99 -0.62 1.55 5.85 -0.92 -1.41 115.31 121.54 1ek5 h LEU 247 Ca 0.23 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1ek5 h LEU 247 Cb -0.04 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1ek5 h LEU 247 CO -0.07 0.87 0.26 0.00 -0.34 0.00 0.00 178.44 179.16 1ek5 h ALA 248 N 1.17 0.80 -0.22 1.25 0.00 -0.56 -1.74 119.26 119.96 1ek5 h ALA 248 Ca 0.25 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1ek5 h ALA 248 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ek5 h ALA 248 CO -0.03 0.40 -0.18 0.87 0.00 0.00 0.00 179.25 180.31 1ek5 h LYS 249 N 0.86 0.37 0.00 0.00 1.57 -0.77 -1.93 116.57 116.67 1ek5 h LYS 249 Ca 0.21 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1ek5 h LYS 249 Cb 0.18 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1ek5 h LYS 249 CO -0.02 0.55 -0.21 0.78 -0.57 0.00 0.00 179.45 179.99 1ek5 h GLY 250 N 0.93 0.00 1.67 3.86 0.00 -0.40 -0.74 103.07 108.39 1ek5 h GLY 250 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 1ek5 h GLY 250 CO 0.03 0.00 -0.43 0.45 0.00 0.00 0.00 176.54 176.60 1ek5 h HIS 251 N 0.00 0.43 -0.43 5.60 3.86 -0.73 -2.08 115.15 121.80 1ek5 h HIS 251 Ca -0.00 -0.12 -0.11 0.00 -1.16 0.00 0.00 60.37 58.98 1ek5 h HIS 251 Cb 0.39 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1ek5 h HIS 251 CO 0.00 0.73 -0.16 0.82 0.86 0.00 0.00 177.93 180.19 1ek5 h ILE 252 N 0.30 1.28 -0.81 2.45 1.08 -0.85 -2.76 117.51 118.19 1ek5 h ILE 252 Ca 0.02 -1.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.19 1ek5 h ILE 252 Cb 0.88 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.79 1ek5 h ILE 252 CO 0.07 0.44 0.43 0.00 -0.69 0.00 0.00 178.15 178.40 1ek5 h ALA 253 N 0.84 1.23 -0.54 1.87 0.00 -1.02 -2.05 119.26 119.59 1ek5 h ALA 253 Ca 0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ek5 h ALA 253 Cb 0.71 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ek5 h ALA 253 CO 0.05 0.61 0.12 0.00 0.00 0.00 0.00 179.25 180.04 1ek5 h ALA 254 N 1.34 1.20 -0.60 0.00 0.00 -1.24 -2.48 119.26 117.48 1ek5 h ALA 254 Ca 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ek5 h ALA 254 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1ek5 h ALA 254 CO -0.04 0.54 0.29 1.25 0.00 0.00 0.00 179.25 181.29 1ek5 h LEU 255 N 0.80 0.78 -1.10 0.00 5.85 -1.10 -2.11 115.31 118.43 1ek5 h LEU 255 Ca 0.17 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1ek5 h LEU 255 Cb 0.30 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1ek5 h LEU 255 CO -0.00 0.69 0.21 0.03 -0.34 0.00 0.00 178.44 179.03 1ek5 h ARG 256 N 0.82 0.84 -0.06 1.25 3.08 -1.06 -2.58 114.38 116.67 1ek5 h ARG 256 Ca 0.21 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1ek5 h ARG 256 Cb 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1ek5 h ARG 256 CO -0.03 0.71 -0.10 -0.22 -1.07 0.00 0.00 179.97 179.27 1ek5 h LYS 257 N 0.83 0.09 -0.68 0.04 1.63 -0.96 -2.29 116.57 115.23 1ek5 h LYS 257 Ca 0.19 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1ek5 h LYS 257 Cb 0.20 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 1ek5 h LYS 257 CO -0.01 0.20 0.38 -0.07 -3.45 0.00 0.00 179.45 176.49 1ek5 h LEU 258 N 0.09 0.83 -2.04 5.20 3.38 -1.01 -0.48 115.31 121.28 1ek5 h LEU 258 Ca 0.02 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1ek5 h LEU 258 Cb 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1ek5 h LEU 258 CO 0.01 0.67 0.30 0.50 0.09 0.00 0.00 178.44 180.02 1ek5 h LYS 259 N 0.95 0.00 -0.35 1.13 1.63 -1.45 0.20 116.57 118.67 1ek5 h LYS 259 Ca 0.24 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1ek5 h LYS 259 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1ek5 h LYS 259 CO -0.04 0.00 0.00 0.39 -3.45 0.00 0.00 179.45 176.35 1ek5 n GLU 260 N -4.26 1.39 -3.69 1.90 1.02 -0.19 -4.87 120.64 111.95 1ek5 n GLU 260 Ca 0.06 -0.47 -0.26 0.00 -0.02 0.00 0.00 57.16 56.47 1ek5 n GLU 260 Cb 0.49 -1.25 0.03 0.00 -0.02 0.00 0.00 31.44 30.69 1ek5 n GLU 260 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ek5 n GLN 261 N -0.07 -2.66 0.08 3.49 1.13 0.71 -4.86 117.38 115.21 1ek5 n GLN 261 Ca 0.04 0.53 0.12 0.00 -1.94 0.00 0.00 57.00 55.76 1ek5 n GLN 261 Cb 0.19 -4.64 0.46 0.00 0.11 0.00 0.00 30.24 26.36 1ek5 n GLN 261 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ek5 n GLY 263 N 0.94 0.39 3.60 0.00 0.00 -1.26 -4.62 105.19 104.24 1ek5 n GLY 263 Ca 0.05 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1ek5 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek5 s ARG 265 N 2.59 0.95 -0.08 0.00 1.81 1.00 -4.96 118.95 120.27 1ek5 s ARG 265 Ca 0.25 -0.99 0.01 0.00 -1.72 0.00 0.00 55.73 53.28 1ek5 s ARG 265 Cb -0.15 -1.05 0.02 0.00 -0.45 0.00 0.00 34.95 33.32 1ek5 s ARG 265 CO 0.12 0.24 -0.09 0.42 -0.68 0.00 0.00 175.30 175.31 1ek5 s ILE 266 N -1.16 0.97 -0.00 1.52 1.01 -1.26 -0.47 121.20 121.80 1ek5 s ILE 266 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1ek5 s ILE 266 Cb -0.10 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.44 1ek5 s ILE 266 CO 0.03 0.33 -0.04 -0.31 0.00 0.00 0.00 174.94 174.95 1ek5 s TYR 267 N 1.05 0.34 0.04 3.97 1.51 -0.41 -4.98 117.35 118.88 1ek5 s TYR 267 Ca -0.08 -0.06 -0.22 0.00 -1.01 0.00 0.00 57.07 55.70 1ek5 s TYR 267 Cb -0.14 -0.22 -0.06 0.00 -0.11 0.00 0.00 41.96 41.42 1ek5 s TYR 267 CO -0.01 -0.01 0.67 -0.80 -1.11 0.00 0.00 175.55 174.29 1ek5 s ASN 268 N -0.07 7.11 -0.13 2.29 0.01 -1.26 -1.60 114.94 121.29 1ek5 s ASN 268 Ca 0.01 1.32 -0.00 0.00 -0.71 0.00 0.00 52.86 53.48 1ek5 s ASN 268 Cb -0.02 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 1ek5 s ASN 268 CO -0.00 0.11 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.80 1ek5 s LEU 269 N -0.36 2.70 0.00 0.60 1.43 -0.47 -4.49 118.68 118.09 1ek5 s LEU 269 Ca 0.34 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1ek5 s LEU 269 Cb -0.20 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1ek5 s LEU 269 CO 0.20 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1ek5 n GLY 270 N 3.61 -0.43 0.21 -3.19 0.00 -1.26 -4.52 105.19 99.61 1ek5 n GLY 270 Ca -0.18 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.02 1ek5 n GLY 270 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ek5 h THR 271 N 0.05 0.08 0.00 2.61 1.35 -1.88 -3.41 112.91 111.71 1ek5 h THR 271 Ca 0.00 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1ek5 h THR 271 Cb 0.00 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1ek5 h THR 271 CO 0.00 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1ek5 n GLY 272 N 1.12 0.89 3.07 5.82 0.00 -1.25 -4.93 105.19 109.91 1ek5 n GLY 272 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1ek5 n GLY 272 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ek5 s THR 273 N -2.63 1.54 0.54 2.61 2.01 -1.26 -4.91 115.64 113.53 1ek5 s THR 273 Ca 0.00 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 1ek5 s THR 273 Cb 0.00 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1ek5 s THR 273 CO 0.00 0.45 0.90 -0.83 -0.69 0.00 0.00 174.62 174.45 1ek5 s GLY 274 N 0.88 1.61 -0.06 4.40 0.00 -1.26 -4.78 107.32 108.11 1ek5 s GLY 274 Ca -0.09 -0.28 0.05 0.00 0.00 0.00 0.00 44.72 44.40 1ek5 s GLY 274 CO -0.00 -0.07 -0.22 -0.19 0.00 0.00 0.00 173.10 172.63 1ek5 s TYR 275 N -2.92 2.53 0.62 1.90 2.02 0.73 -4.89 117.35 117.34 1ek5 s TYR 275 Ca 0.51 -0.59 -0.11 0.00 -0.37 0.00 0.00 57.07 56.51 1ek5 s TYR 275 Cb -0.11 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 1ek5 s TYR 275 CO 0.48 -0.13 1.02 -1.54 -1.57 0.00 0.00 175.55 173.80 1ek5 s SER 276 N -0.23 6.14 0.27 2.29 1.04 -1.26 -1.37 113.70 120.59 1ek5 s SER 276 Ca -0.01 1.34 -0.04 0.00 0.48 0.00 0.00 55.95 57.72 1ek5 s SER 276 Cb -0.13 -2.39 0.34 0.00 0.10 0.00 0.00 66.02 63.94 1ek5 s SER 276 CO 0.03 -0.90 1.94 0.58 0.98 0.00 0.00 173.24 175.87 1ek5 h VAL 277 N -0.31 1.24 -0.34 5.02 2.07 -1.66 -0.91 116.25 121.35 1ek5 h VAL 277 Ca -0.44 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1ek5 h VAL 277 Cb 1.20 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1ek5 h VAL 277 CO 0.62 0.24 0.11 -0.07 0.02 0.00 0.00 177.57 178.48 1ek5 h LEU 278 N 1.24 0.50 -0.91 2.57 3.38 -1.93 -1.91 115.31 118.25 1ek5 h LEU 278 Ca 0.33 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1ek5 h LEU 278 Cb -0.12 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 1ek5 h LEU 278 CO -0.07 0.58 0.56 1.56 0.09 0.00 0.00 178.44 181.16 1ek5 h GLN 279 N 0.40 0.95 -0.02 1.13 4.20 -1.87 0.63 115.11 120.53 1ek5 h GLN 279 Ca 0.11 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 1ek5 h GLN 279 Cb 0.25 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1ek5 h GLN 279 CO -0.00 0.63 -0.56 0.52 -0.67 0.00 0.00 178.83 178.75 1ek5 h MET 280 N 0.98 0.05 -0.32 1.46 2.86 -0.72 -0.25 114.93 118.99 1ek5 h MET 280 Ca 0.41 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.89 1ek5 h MET 280 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1ek5 h MET 280 CO -0.21 0.60 -0.29 0.28 1.06 0.00 0.00 176.91 178.35 1ek5 h VAL 281 N 0.04 1.29 -0.12 -2.22 2.07 -0.42 -0.92 116.25 115.97 1ek5 h VAL 281 Ca -0.00 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1ek5 h VAL 281 Cb 1.00 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1ek5 h VAL 281 CO 0.08 0.47 0.07 1.56 0.02 0.00 0.00 177.57 179.76 1ek5 h GLN 282 N 0.53 0.13 -0.72 1.57 4.20 -0.72 -0.08 115.11 120.03 1ek5 h GLN 282 Ca 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ek5 h GLN 282 Cb 0.86 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 1ek5 h GLN 282 CO 0.07 0.09 0.47 0.00 -0.67 0.00 0.00 178.83 178.79 1ek5 h ALA 283 N 1.05 1.47 0.00 3.87 0.00 -1.01 -1.14 119.26 123.50 1ek5 h ALA 283 Ca 0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1ek5 h ALA 283 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1ek5 h ALA 283 CO -0.02 0.49 -0.56 1.98 0.00 0.00 0.00 179.25 181.13 1ek5 h MET 284 N 0.98 0.00 -0.18 0.00 1.85 -0.58 -2.17 114.93 114.82 1ek5 h MET 284 Ca 0.26 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.27 1ek5 h MET 284 Cb -0.10 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 31.93 1ek5 h MET 284 CO -0.06 0.56 -0.21 0.93 -0.40 0.00 0.00 176.91 177.74 1ek5 h GLU 285 N 0.00 0.47 -0.41 0.39 5.08 -0.06 -1.18 114.58 118.86 1ek5 h GLU 285 Ca -0.01 -0.26 0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1ek5 h GLU 285 Cb 1.25 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 1ek5 h GLU 285 CO 0.07 0.84 0.05 -0.22 -1.00 0.00 0.00 179.01 178.74 1ek5 h LYS 286 N 0.12 0.16 -0.38 2.33 3.11 -1.17 0.40 116.57 121.14 1ek5 h LYS 286 Ca 0.03 -0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.71 1ek5 h LYS 286 Cb 0.76 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 1ek5 h LYS 286 CO 0.05 0.10 -0.34 0.00 -2.81 0.00 0.00 179.45 176.46 1ek5 h ALA 287 N 1.34 0.68 0.03 5.00 0.00 -1.34 -3.30 119.26 121.67 1ek5 h ALA 287 Ca 0.20 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 1ek5 h ALA 287 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1ek5 h ALA 287 CO -0.30 0.67 -1.35 0.66 0.00 0.00 0.00 179.25 178.93 1ek5 h SER 288 N 0.72 0.11 0.00 0.00 4.64 -0.97 -3.47 113.55 114.58 1ek5 h SER 288 Ca 0.07 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ek5 h SER 288 Cb 0.91 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1ek5 h SER 288 CO 0.08 1.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.77 1ek5 n GLY 289 N 1.49 1.27 3.92 -0.77 0.00 0.14 -4.99 105.19 106.24 1ek5 n GLY 289 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1ek5 n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ek5 s LYS 290 N -0.03 3.57 0.07 1.61 1.02 -1.23 -5.01 119.74 119.73 1ek5 s LYS 290 Ca 0.00 -0.12 -0.18 0.00 0.02 0.00 0.00 55.97 55.69 1ek5 s LYS 290 Cb 0.00 -2.65 -0.07 0.00 -0.52 0.00 0.00 37.83 34.60 1ek5 s LYS 290 CO 0.00 0.17 0.55 0.21 -0.92 0.00 0.00 175.35 175.36 1ek5 s LYS 291 N -3.87 4.14 -0.45 1.68 2.20 -1.26 -4.46 119.74 117.72 1ek5 s LYS 291 Ca 0.42 0.67 0.03 0.00 -0.36 0.00 0.00 55.97 56.73 1ek5 s LYS 291 Cb -0.10 -3.21 0.13 0.00 -1.51 0.00 0.00 37.83 33.14 1ek5 s LYS 291 CO 0.33 0.63 0.22 0.42 -0.36 0.00 0.00 175.35 176.59 1ek5 s ILE 292 N -1.14 1.84 0.45 5.43 1.01 -1.26 -4.66 121.20 122.88 1ek5 s ILE 292 Ca 0.29 -2.70 -0.22 0.00 0.00 0.00 0.00 60.65 58.02 1ek5 s ILE 292 Cb -0.19 -2.30 -0.08 0.00 0.01 0.00 0.00 42.46 39.91 1ek5 s ILE 292 CO 0.18 -0.82 1.10 -2.16 0.00 0.00 0.00 174.94 173.25 1ek5 s PRO 293 N 0.29 3.85 0.10 2.79 0.04 -1.26 -4.90 135.00 135.91 1ek5 s PRO 293 Ca 0.16 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1ek5 s PRO 293 Cb -0.24 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1ek5 s PRO 293 CO -0.03 -0.44 0.10 1.52 0.04 0.00 0.00 177.00 178.20 1ek5 s TYR 294 N -1.68 0.52 -0.10 0.56 1.13 -1.26 -0.39 117.35 116.13 1ek5 s TYR 294 Ca 0.63 -0.96 0.01 0.00 -1.41 0.00 0.00 57.07 55.34 1ek5 s TYR 294 Cb -0.24 -0.29 0.02 0.00 -1.10 0.00 0.00 41.96 40.35 1ek5 s TYR 294 CO 0.29 -0.52 -0.11 0.21 -2.51 0.00 0.00 175.55 172.91 1ek5 s LYS 295 N -3.96 1.81 -0.08 -3.49 2.20 0.27 -4.84 119.74 111.65 1ek5 s LYS 295 Ca 0.14 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 1ek5 s LYS 295 Cb 0.06 -1.65 -0.03 0.00 -1.51 0.00 0.00 37.83 34.69 1ek5 s LYS 295 CO -0.05 -0.14 1.31 0.08 -0.36 0.00 0.00 175.35 176.19 1ek5 s VAL 296 N 1.23 4.08 0.29 4.02 1.01 -1.26 -0.03 120.40 129.74 1ek5 s VAL 296 Ca -0.03 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.34 1ek5 s VAL 296 Cb -0.14 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1ek5 s VAL 296 CO -0.04 -0.05 0.11 1.33 0.00 0.00 0.00 175.10 176.45 1ek5 n VAL 297 N 4.94 0.00 -2.61 2.92 0.24 0.33 -4.89 118.33 119.26 1ek5 n VAL 297 Ca 0.13 -1.24 -0.33 0.00 -2.04 0.00 0.00 64.34 60.86 1ek5 n VAL 297 Cb 0.45 0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.78 1ek5 n VAL 297 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ek5 s ALA 298 N -2.45 3.02 0.19 2.33 0.00 -1.26 -1.36 121.76 122.22 1ek5 s ALA 298 Ca 0.08 0.34 -0.33 0.00 0.00 0.00 0.00 51.96 52.06 1ek5 s ALA 298 Cb -0.01 -3.15 -0.15 0.00 0.00 0.00 0.00 23.12 19.81 1ek5 s ALA 298 CO 0.05 -0.08 1.37 0.54 0.00 0.00 0.00 175.76 177.63 1ek5 n ARG 299 N -1.06 1.70 -2.39 0.00 1.74 -1.26 -4.02 116.66 111.37 1ek5 n ARG 299 Ca 0.07 0.61 -0.41 0.00 -0.77 0.00 0.00 57.85 57.35 1ek5 n ARG 299 Cb 0.54 -2.24 -0.04 0.00 -1.02 0.00 0.00 32.46 29.70 1ek5 n ARG 299 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ek5 s ARG 300 N -0.02 4.55 0.07 5.56 3.52 -1.26 -4.92 118.95 126.44 1ek5 s ARG 300 Ca 0.74 1.88 -0.30 0.00 -0.13 0.00 0.00 55.73 57.92 1ek5 s ARG 300 Cb -0.75 -3.19 -0.09 0.00 -1.56 0.00 0.00 34.95 29.36 1ek5 s ARG 300 CO 0.48 0.05 1.87 -1.21 -0.81 0.00 0.00 175.30 175.68 1ek5 s GLU 301 N -1.05 4.15 0.00 5.12 2.02 -1.26 -1.79 118.70 125.88 1ek5 s GLU 301 Ca 0.48 2.56 0.00 0.00 0.02 0.00 0.00 54.97 58.03 1ek5 s GLU 301 Cb -0.33 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1ek5 s GLU 301 CO 0.41 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 175.21 1ek5 n GLY 302 N 4.36 3.19 3.75 -1.39 0.00 -1.26 -5.03 105.19 108.80 1ek5 n GLY 302 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1ek5 n GLY 302 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ek5 n ASP 303 N 0.10 3.74 -4.92 1.61 9.92 -0.74 -5.01 116.55 121.25 1ek5 n ASP 303 Ca 0.00 1.18 -0.23 0.00 -0.53 0.00 0.00 54.79 55.21 1ek5 n ASP 303 Cb 0.00 -1.59 -0.03 0.00 -0.64 0.00 0.00 41.12 38.86 1ek5 n ASP 303 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1ek5 s VAL 304 N -0.54 5.06 0.09 2.53 -7.23 -1.26 -4.96 120.40 114.09 1ek5 s VAL 304 Ca 0.59 -0.98 -0.27 0.00 -1.81 0.00 0.00 61.98 59.52 1ek5 s VAL 304 Cb -0.50 -3.69 -0.15 0.00 0.56 0.00 0.00 36.38 32.61 1ek5 s VAL 304 CO 0.56 -0.24 1.69 0.00 -0.31 0.00 0.00 175.10 176.80 1ek5 h ALA 305 N 1.65 -0.34 -3.33 1.32 0.00 -1.95 -3.43 119.26 113.18 1ek5 h ALA 305 Ca -0.50 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 1ek5 h ALA 305 Cb 1.22 0.17 -0.25 0.00 0.00 0.00 0.00 17.79 18.93 1ek5 h ALA 305 CO 0.63 -0.70 -0.65 0.00 0.00 0.00 0.00 179.25 178.54 1ek5 s ALA 306 N -6.13 -0.09 -0.27 0.00 0.00 -1.26 0.19 121.76 114.20 1ek5 s ALA 306 Ca -0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 1ek5 s ALA 306 Cb 0.06 0.00 0.15 0.00 0.00 0.00 0.00 23.12 23.32 1ek5 s ALA 306 CO 0.65 -0.08 0.38 0.00 0.00 0.00 0.00 175.76 176.70 1ek5 s TYR 308 N 2.52 0.12 0.21 0.00 -0.85 -1.26 -2.52 117.35 115.56 1ek5 s TYR 308 Ca 0.11 -0.48 0.05 0.00 -0.52 0.00 0.00 57.07 56.24 1ek5 s TYR 308 Cb -0.14 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1ek5 s TYR 308 CO -0.25 -0.49 0.21 0.00 -1.52 0.00 0.00 175.55 173.49 1ek5 s ALA 309 N -3.34 3.68 -0.32 9.51 0.00 -1.26 -1.70 121.76 128.33 1ek5 s ALA 309 Ca 0.01 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1ek5 s ALA 309 Cb 0.03 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1ek5 s ALA 309 CO -0.08 0.38 0.22 1.21 0.00 0.00 0.00 175.76 177.49 1ek5 s ASN 310 N -3.52 6.04 -0.22 0.00 3.84 -0.25 -3.94 114.94 116.89 1ek5 s ASN 310 Ca 0.33 -0.26 0.15 0.00 0.21 0.00 0.00 52.86 53.29 1ek5 s ASN 310 Cb -0.09 -2.13 0.71 0.00 -0.55 0.00 0.00 41.25 39.19 1ek5 s ASN 310 CO 0.25 -0.16 1.63 -0.81 -2.79 0.00 0.00 177.10 175.23 1ek5 n PRO 311 N 5.09 4.09 0.01 0.43 -0.04 -1.26 -4.68 135.00 138.63 1ek5 n PRO 311 Ca -0.13 -3.05 -0.10 0.00 -0.04 0.00 0.00 63.50 60.18 1ek5 n PRO 311 Cb 0.51 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 1ek5 n PRO 311 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ek5 h SER 312 N 3.09 -0.52 -0.89 3.54 0.02 -1.94 -2.73 113.55 114.12 1ek5 h SER 312 Ca 0.01 0.09 0.14 0.00 -0.84 0.00 0.00 61.79 61.19 1ek5 h SER 312 Cb 1.80 0.24 -0.09 0.00 0.14 0.00 0.00 62.40 64.49 1ek5 h SER 312 CO 0.41 -0.22 0.50 0.25 -1.14 0.00 0.00 176.83 176.62 1ek5 h LEU 313 N -0.22 0.66 -1.26 5.07 5.85 -1.90 0.63 115.31 124.13 1ek5 h LEU 313 Ca 0.09 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1ek5 h LEU 313 Cb 0.35 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ek5 h LEU 313 CO -0.24 0.30 -0.21 0.00 -0.34 0.00 0.00 178.44 177.96 1ek5 h ALA 314 N 1.55 1.38 -0.27 1.25 0.00 -1.73 0.31 119.26 121.76 1ek5 h ALA 314 Ca 0.47 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1ek5 h ALA 314 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ek5 h ALA 314 CO -0.33 0.43 -0.45 0.37 0.00 0.00 0.00 179.25 179.27 1ek5 h GLN 315 N 0.23 0.69 -0.08 0.00 4.15 -0.71 0.53 115.11 119.91 1ek5 h GLN 315 Ca 0.04 -0.38 -0.05 0.00 0.77 0.00 0.00 58.65 59.03 1ek5 h GLN 315 Cb 0.50 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 1ek5 h GLN 315 CO 0.03 1.00 -0.14 1.49 -1.93 0.00 0.00 178.83 179.29 1ek5 h GLU 316 N 0.55 0.24 0.00 1.69 4.81 -0.72 -1.02 114.58 120.13 1ek5 h GLU 316 Ca 0.04 -0.15 -0.29 0.00 -0.13 0.00 0.00 59.36 58.83 1ek5 h GLU 316 Cb 1.00 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 1ek5 h GLU 316 CO 0.09 0.72 -1.88 0.39 -0.73 0.00 0.00 179.01 177.61 1ek5 n GLU 317 N -4.61 0.65 0.00 1.92 1.02 0.10 -4.28 120.64 115.44 1ek5 n GLU 317 Ca -0.07 0.18 0.08 0.00 -0.02 0.00 0.00 57.16 57.33 1ek5 n GLU 317 Cb 0.37 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 30.01 1ek5 n GLU 317 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ek5 n LEU 318 N -2.91 1.03 -0.95 -4.62 4.77 0.09 -4.95 117.00 109.46 1ek5 n LEU 318 Ca -0.20 -0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 55.08 1ek5 n LEU 318 Cb 1.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.07 1ek5 n LEU 318 CO 0.44 0.23 -0.12 0.61 -1.33 0.00 0.00 177.39 177.22 1ek5 n GLY 319 N 1.34 1.33 3.89 -0.72 0.00 -0.39 -4.95 105.19 105.70 1ek5 n GLY 319 Ca 0.04 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1ek5 n GLY 319 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ek5 s TRP 320 N -2.45 3.58 0.01 1.61 -0.00 -0.91 -4.93 118.94 115.84 1ek5 s TRP 320 Ca 0.00 0.52 -0.02 0.00 -0.00 0.00 0.00 56.10 56.60 1ek5 s TRP 320 Cb 0.00 -1.94 -0.01 0.00 -0.00 0.00 0.00 33.47 31.52 1ek5 s TRP 320 CO 0.00 0.65 0.02 0.95 -0.00 0.00 0.00 176.95 178.57 1ek5 s THR 321 N -1.25 0.09 -0.24 5.86 -4.23 -1.26 -3.10 115.64 111.50 1ek5 s THR 321 Ca 0.25 -0.71 -0.25 0.00 -1.18 0.00 0.00 61.69 59.80 1ek5 s THR 321 Cb -0.13 -0.27 -0.00 0.00 1.34 0.00 0.00 72.50 73.44 1ek5 s THR 321 CO 0.15 -0.39 0.84 0.00 -0.54 0.00 0.00 174.62 174.68 1ek5 s ALA 322 N -1.20 3.65 -0.18 3.99 0.00 -1.26 -4.91 121.76 121.85 1ek5 s ALA 322 Ca -0.13 -0.11 0.19 0.00 0.00 0.00 0.00 51.96 51.92 1ek5 s ALA 322 Cb -0.08 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1ek5 s ALA 322 CO -0.00 -0.93 0.94 0.00 0.00 0.00 0.00 175.76 175.77 1ek5 h ALA 323 N 7.65 0.58 -3.03 0.00 0.00 -1.97 -3.47 119.26 119.02 1ek5 h ALA 323 Ca -0.23 -0.45 -0.61 0.00 0.00 0.00 0.00 54.91 53.63 1ek5 h ALA 323 Cb 1.09 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1ek5 h ALA 323 CO 0.88 0.48 -0.39 -0.51 0.00 0.00 0.00 179.25 179.71 1ek5 s LEU 324 N -5.60 4.28 0.00 0.00 1.43 -1.26 -5.10 118.68 112.43 1ek5 s LEU 324 Ca -0.02 0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1ek5 s LEU 324 Cb 0.09 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 44.10 1ek5 s LEU 324 CO 0.80 0.20 0.36 0.61 0.23 0.00 0.00 176.35 178.55 1ek5 n GLY 325 N 3.05 2.02 0.21 -3.19 0.00 -1.26 -4.66 105.19 101.36 1ek5 n GLY 325 Ca -0.15 -2.18 -0.01 0.00 0.00 0.00 0.00 46.02 43.68 1ek5 n GLY 325 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ek5 h LEU 326 N 0.00 0.04 -0.23 0.99 5.85 -1.99 -0.12 115.31 119.86 1ek5 h LEU 326 Ca -0.13 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ek5 h LEU 326 Cb 0.59 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1ek5 h LEU 326 CO 0.19 0.04 0.09 0.44 -0.34 0.00 0.00 178.44 178.86 1ek5 h ASP 327 N 0.27 0.11 -0.65 1.25 3.32 -1.96 -0.81 116.42 117.95 1ek5 h ASP 327 Ca 0.27 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1ek5 h ASP 327 Cb 0.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1ek5 h ASP 327 CO -0.34 0.09 0.33 0.03 -1.72 0.00 0.00 179.24 177.64 1ek5 h ARG 328 N 0.20 0.92 -0.28 3.56 2.47 -1.83 0.03 114.38 119.45 1ek5 h ARG 328 Ca 0.10 -0.12 0.06 0.00 -1.26 0.00 0.00 59.98 58.75 1ek5 h ARG 328 Cb 0.05 -0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 28.14 1ek5 h ARG 328 CO -0.09 0.72 -0.10 0.52 0.56 0.00 0.00 179.97 181.58 1ek5 h MET 329 N 0.90 -0.04 -0.15 0.04 2.86 -0.59 0.33 114.93 118.27 1ek5 h MET 329 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1ek5 h MET 329 Cb 0.08 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1ek5 h MET 329 CO -0.03 -0.03 0.10 0.00 1.06 0.00 0.00 176.91 178.01 1ek5 h GLU 331 N 0.20 0.28 -0.76 0.00 5.08 -0.71 0.16 114.58 118.83 1ek5 h GLU 331 Ca 0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1ek5 h GLU 331 Cb -0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1ek5 h GLU 331 CO -0.01 0.22 0.34 -0.44 -1.00 0.00 0.00 179.01 178.12 1ek5 h ASP 332 N 0.26 1.02 0.09 1.42 3.32 -0.25 0.31 116.42 122.59 1ek5 h ASP 332 Ca 0.07 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1ek5 h ASP 332 Cb 0.01 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1ek5 h ASP 332 CO -0.01 0.89 -0.04 0.25 -1.72 0.00 0.00 179.24 178.60 1ek5 h LEU 333 N 1.09 -0.10 -0.53 1.55 5.85 -0.79 -2.32 115.31 120.06 1ek5 h LEU 333 Ca 0.26 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1ek5 h LEU 333 Cb 0.16 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1ek5 h LEU 333 CO -0.03 0.10 0.11 -0.25 -0.34 0.00 0.00 178.44 178.03 1ek5 h TRP 334 N -0.30 0.18 -0.40 1.25 2.91 -0.51 -0.80 115.95 118.29 1ek5 h TRP 334 Ca -0.01 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.05 1ek5 h TRP 334 Cb 0.25 -0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 1ek5 h TRP 334 CO -0.01 -0.00 0.25 -0.09 -1.03 0.00 0.00 178.44 177.56 1ek5 h ARG 335 N 0.25 0.50 -0.74 2.65 2.43 -0.86 -0.54 114.38 118.08 1ek5 h ARG 335 Ca 0.27 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1ek5 h ARG 335 Cb 0.36 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1ek5 h ARG 335 CO -0.34 0.33 0.37 2.35 -1.51 0.00 0.00 179.97 181.17 1ek5 h TRP 336 N 0.52 1.05 -0.33 2.20 2.91 -0.82 -1.44 115.95 120.04 1ek5 h TRP 336 Ca 0.15 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 60.08 1ek5 h TRP 336 Cb -0.04 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.27 1ek5 h TRP 336 CO -0.06 0.77 0.05 1.96 -1.03 0.00 0.00 178.44 180.13 1ek5 h GLN 337 N 1.03 0.55 -0.63 2.65 4.20 -0.79 0.42 115.11 122.54 1ek5 h GLN 337 Ca 0.26 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1ek5 h GLN 337 Cb 0.10 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1ek5 h GLN 337 CO -0.03 0.64 0.13 -0.22 -0.67 0.00 0.00 178.83 178.68 1ek5 h LYS 338 N 0.38 0.99 -0.04 1.46 3.64 -1.04 0.06 116.57 122.03 1ek5 h LYS 338 Ca 0.10 -0.23 -0.17 0.00 -1.27 0.00 0.00 60.65 59.07 1ek5 h LYS 338 Cb 0.36 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1ek5 h LYS 338 CO 0.01 0.90 -0.74 1.96 -2.27 0.00 0.00 179.45 179.30 1ek5 h GLN 339 N 0.94 0.23 -2.25 1.90 4.20 -1.13 -3.38 115.11 115.63 1ek5 h GLN 339 Ca 0.20 -0.20 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 1ek5 h GLN 339 Cb 0.36 0.05 -0.38 0.00 0.30 0.00 0.00 27.48 27.81 1ek5 h GLN 339 CO 0.00 0.87 -1.00 0.09 -0.67 0.00 0.00 178.83 178.12 1ek5 n ASN 340 N -3.77 -0.38 -0.28 1.46 3.02 0.14 -4.98 115.26 110.46 1ek5 n ASN 340 Ca -0.03 -2.45 0.10 0.00 -0.03 0.00 0.00 54.58 52.17 1ek5 n ASN 340 Cb 0.71 -0.54 0.25 0.00 -0.61 0.00 0.00 39.78 39.59 1ek5 n ASN 340 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ek5 h PRO 341 N 5.23 0.25 -0.55 3.52 0.14 -1.18 -1.69 132.00 137.72 1ek5 h PRO 341 Ca 0.22 -0.01 0.00 0.00 0.14 0.00 0.00 66.00 66.34 1ek5 h PRO 341 Cb 0.91 -0.06 0.00 0.00 0.14 0.00 0.00 31.00 31.99 1ek5 h PRO 341 CO 0.39 0.16 0.00 0.43 0.14 0.00 0.00 178.00 179.12 1ek5 n SER 342 N -5.18 5.28 0.00 1.44 7.64 -1.26 -4.98 113.62 116.56 1ek5 n SER 342 Ca 0.19 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1ek5 n SER 342 Cb 0.59 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1ek5 n SER 342 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ek5 n GLY 343 N 0.58 -0.53 3.76 0.23 0.00 -0.63 -4.76 105.19 103.84 1ek5 n GLY 343 Ca 0.26 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1ek5 n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ek5 s PHE 344 N 0.00 2.51 -0.29 1.61 0.08 -1.26 -4.85 117.98 115.77 1ek5 s PHE 344 Ca 0.00 1.52 -0.16 0.00 0.12 0.00 0.00 56.93 58.42 1ek5 s PHE 344 Cb 0.00 -3.41 0.14 0.00 -0.57 0.00 0.00 43.02 39.18 1ek5 s PHE 344 CO 0.00 -1.96 0.94 0.20 -0.10 0.00 0.00 175.22 174.30 1ek5 s GLY 345 N -1.65 -0.11 0.00 4.36 0.00 -1.26 -5.09 107.32 103.57 1ek5 s GLY 345 Ca 0.75 3.03 0.24 0.00 0.00 0.00 0.00 44.72 48.74 1ek5 s GLY 345 CO 0.31 2.67 1.82 -0.37 0.00 0.00 0.00 173.10 177.52