#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek5 n GLU 3 N 0.00 0.22 -3.07 -1.46 2.13 -1.26 -4.87 120.64 112.33 3ek5 n GLU 3 Ca 0.00 0.13 -0.38 0.00 0.66 0.00 0.00 57.16 57.56 3ek5 n GLU 3 Cb 0.00 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.15 3ek5 n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3ek5 s LEU 4 N -2.64 4.53 0.00 4.31 1.43 -1.26 -4.77 118.68 120.27 3ek5 s LEU 4 Ca 0.16 1.51 0.26 0.00 -1.03 0.00 0.00 54.13 55.03 3ek5 s LEU 4 Cb 0.12 -3.27 0.69 0.00 0.03 0.00 0.00 46.19 43.76 3ek5 s LEU 4 CO 0.29 0.19 1.53 -1.20 0.23 0.00 0.00 176.35 177.38 3ek5 n SER 5 N 1.43 0.73 -3.65 2.29 7.64 -0.75 -4.85 113.62 116.45 3ek5 n SER 5 Ca -0.06 -0.55 -0.04 0.00 1.01 0.00 0.00 58.87 59.23 3ek5 n SER 5 Cb 0.50 0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.79 3ek5 n SER 5 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3ek5 s TYR 6 N -2.73 -1.12 -0.23 1.43 2.02 -1.25 -4.99 117.35 110.48 3ek5 s TYR 6 Ca 0.18 2.02 -0.06 0.00 -0.37 0.00 0.00 57.07 58.84 3ek5 s TYR 6 Cb 0.18 0.61 -0.18 0.00 -0.40 0.00 0.00 41.96 42.17 3ek5 s TYR 6 CO 0.60 -0.58 -0.07 0.54 -1.57 0.00 0.00 175.55 174.46 3ek5 n ARG 7 N 5.27 0.65 -4.06 -0.62 1.74 -1.26 -4.88 116.66 113.51 3ek5 n ARG 7 Ca -0.12 0.24 -0.34 0.00 -0.77 0.00 0.00 57.85 56.86 3ek5 n ARG 7 Cb 0.50 -1.58 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 3ek5 n ARG 7 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3ek5 s ARG 8 N -2.51 3.28 0.11 5.56 3.52 -1.26 -0.19 118.95 127.45 3ek5 s ARG 8 Ca -0.32 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 54.63 3ek5 s ARG 8 Cb 0.09 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 3ek5 s ARG 8 CO 0.62 -0.16 -0.11 0.96 -0.81 0.00 0.00 175.30 175.80 3ek5 s ILE 9 N 1.31 1.05 -0.16 4.11 -4.36 -0.42 0.13 121.20 122.86 3ek5 s ILE 9 Ca 0.04 -1.69 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 3ek5 s ILE 9 Cb -0.14 -1.44 0.02 0.00 1.25 0.00 0.00 42.46 42.15 3ek5 s ILE 9 CO -0.05 -0.54 -0.17 -0.22 0.24 0.00 0.00 174.94 174.20 3ek5 s LEU 10 N -2.50 1.92 -0.25 0.37 0.20 -0.89 -1.33 118.68 116.21 3ek5 s LEU 10 Ca 0.07 -0.57 -0.08 0.00 0.69 0.00 0.00 54.13 54.23 3ek5 s LEU 10 Cb -0.03 -1.34 -0.04 0.00 -0.43 0.00 0.00 46.19 44.35 3ek5 s LEU 10 CO 0.01 -0.02 0.10 -0.22 -0.29 0.00 0.00 176.35 175.93 3ek5 s LEU 11 N 1.37 3.67 -0.15 -0.68 2.96 -0.06 -1.13 118.68 124.66 3ek5 s LEU 11 Ca 0.05 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 3ek5 s LEU 11 Cb -0.13 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 3ek5 s LEU 11 CO -0.12 -0.00 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.09 3ek5 s LYS 12 N 1.45 3.56 0.12 1.98 2.36 -0.56 -1.02 119.74 127.63 3ek5 s LYS 12 Ca 0.06 -0.58 0.09 0.00 -2.55 0.00 0.00 55.97 52.99 3ek5 s LYS 12 Cb -0.15 -2.83 -0.04 0.00 -1.05 0.00 0.00 37.83 33.76 3ek5 s LYS 12 CO 0.05 0.21 -0.23 -0.51 1.55 0.00 0.00 175.35 176.42 3ek5 s LEU 13 N 0.43 2.32 0.87 5.43 1.02 0.16 -1.74 118.68 127.16 3ek5 s LEU 13 Ca -0.06 -0.72 -0.12 0.00 0.02 0.00 0.00 54.13 53.25 3ek5 s LEU 13 Cb -0.15 -0.99 0.11 0.00 0.02 0.00 0.00 46.19 45.18 3ek5 s LEU 13 CO 0.04 0.09 1.10 -0.94 0.02 0.00 0.00 176.35 176.66 3ek5 s SER 14 N -2.04 3.83 0.21 2.29 1.04 -1.26 -1.36 113.70 116.41 3ek5 s SER 14 Ca 0.10 1.32 0.07 0.00 0.48 0.00 0.00 55.95 57.92 3ek5 s SER 14 Cb -0.10 -2.00 0.13 0.00 0.10 0.00 0.00 66.02 64.15 3ek5 s SER 14 CO 0.05 -2.39 1.48 1.23 0.98 0.00 0.00 173.24 174.59 3ek5 h GLY 15 N -1.38 0.07 2.00 7.32 0.00 -1.90 -2.96 103.07 106.22 3ek5 h GLY 15 Ca -0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3ek5 h GLY 15 CO 0.58 0.09 -0.03 0.83 0.00 0.00 0.00 176.54 178.01 3ek5 h GLU 16 N 0.04 0.00 0.00 4.80 3.07 -1.90 -1.50 114.58 119.09 3ek5 h GLU 16 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3ek5 h GLU 16 Cb 1.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 3ek5 h GLU 16 CO 0.11 0.03 0.00 0.00 -1.40 0.00 0.00 179.01 177.75 3ek5 n ALA 17 N -2.24 1.23 0.25 3.43 0.00 -1.12 -1.64 120.51 120.43 3ek5 n ALA 17 Ca -0.02 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.69 3ek5 n ALA 17 Cb 0.13 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.27 3ek5 n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ek5 n LEU 18 N -2.22 0.69 0.08 0.00 4.77 -0.56 -4.40 117.00 115.36 3ek5 n LEU 18 Ca -0.00 0.21 -0.06 0.00 -0.03 0.00 0.00 56.01 56.13 3ek5 n LEU 18 Cb 0.09 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3ek5 n LEU 18 CO 0.12 -0.11 0.21 0.24 -1.33 0.00 0.00 177.39 176.53 3ek5 h MET 19 N 0.00 0.00 0.00 3.23 2.86 -1.44 -1.98 114.93 117.61 3ek5 h MET 19 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3ek5 h MET 19 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3ek5 h MET 19 CO 0.00 0.92 0.00 0.41 1.06 0.00 0.00 176.91 179.30 3ek5 n GLY 20 N 1.17 2.14 0.06 8.32 0.00 -1.26 -2.75 105.19 112.88 3ek5 n GLY 20 Ca -0.00 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.75 3ek5 n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ek5 n ASP 21 N 7.50 0.64 -4.62 1.61 10.43 -1.26 -4.94 116.55 125.92 3ek5 n ASP 21 Ca 0.00 0.03 -0.29 0.00 2.57 0.00 0.00 54.79 57.10 3ek5 n ASP 21 Cb 0.00 0.68 0.19 0.00 1.84 0.00 0.00 41.12 43.83 3ek5 n ASP 21 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3ek5 s GLY 22 N -3.94 1.57 -0.10 0.44 0.00 -1.11 -4.98 107.32 99.20 3ek5 s GLY 22 Ca 0.02 -0.18 0.14 0.00 0.00 0.00 0.00 44.72 44.70 3ek5 s GLY 22 CO 0.79 0.43 1.37 1.34 0.00 0.00 0.00 173.10 177.04 3ek5 n ASP 23 N -4.37 3.59 -3.60 1.64 2.03 -1.26 -4.91 116.55 109.66 3ek5 n ASP 23 Ca 0.05 -2.56 -0.08 0.00 0.52 0.00 0.00 54.79 52.72 3ek5 n ASP 23 Cb 0.56 -0.42 -0.05 0.00 -0.72 0.00 0.00 41.12 40.49 3ek5 n ASP 23 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3ek5 s TYR 24 N -2.01 -0.26 0.00 -0.67 5.04 -1.26 -5.03 117.35 113.15 3ek5 s TYR 24 Ca 0.35 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.45 3ek5 s TYR 24 Cb 0.25 0.46 0.00 0.00 0.35 0.00 0.00 41.96 43.02 3ek5 s TYR 24 CO 0.13 -0.23 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 3ek5 n GLY 25 N 0.77 0.37 3.05 8.97 0.00 -0.69 -4.81 105.19 112.85 3ek5 n GLY 25 Ca -0.07 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 3ek5 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek5 s ILE 26 N 0.00 1.12 -0.25 -0.61 1.01 -1.26 -3.98 121.20 117.23 3ek5 s ILE 26 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 3ek5 s ILE 26 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 3ek5 s ILE 26 CO 0.00 0.34 0.80 -0.62 0.00 0.00 0.00 174.94 175.46 3ek5 s ASP 27 N 0.34 6.78 0.34 3.58 3.68 -0.74 -4.95 116.67 125.69 3ek5 s ASP 27 Ca -0.08 0.94 0.10 0.00 2.13 0.00 0.00 52.55 55.65 3ek5 s ASP 27 Cb -0.12 -2.42 0.88 0.00 -1.45 0.00 0.00 42.92 39.81 3ek5 s ASP 27 CO 0.02 -0.51 1.77 -0.65 0.13 0.00 0.00 175.17 175.93 3ek5 h PRO 28 N 7.76 0.60 -0.02 4.34 0.11 -1.94 -2.06 132.00 140.79 3ek5 h PRO 28 Ca -0.24 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.69 3ek5 h PRO 28 Cb 1.10 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3ek5 h PRO 28 CO 0.86 0.39 -0.67 0.87 -0.21 0.00 0.00 178.00 179.25 3ek5 h LYS 29 N 0.61 0.12 0.03 1.05 1.57 -1.95 -2.26 116.57 115.73 3ek5 h LYS 29 Ca 0.59 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 59.18 3ek5 h LYS 29 Cb 1.13 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.46 3ek5 h LYS 29 CO -0.37 0.74 -0.39 0.28 -0.57 0.00 0.00 179.45 179.14 3ek5 h VAL 30 N 0.08 1.55 0.00 0.50 2.07 -1.71 -2.25 116.25 116.50 3ek5 h VAL 30 Ca -0.01 -2.14 -0.03 0.00 0.82 0.00 0.00 66.70 65.34 3ek5 h VAL 30 Cb 1.19 2.91 -0.00 0.00 -1.52 0.00 0.00 31.29 33.87 3ek5 h VAL 30 CO 0.10 0.59 -0.15 -0.29 0.02 0.00 0.00 177.57 177.84 3ek5 h ILE 31 N -0.47 0.81 -0.00 4.57 2.10 -1.42 -1.85 117.51 121.24 3ek5 h ILE 31 Ca -0.06 -0.58 -0.00 0.00 1.08 0.00 0.00 64.86 65.30 3ek5 h ILE 31 Cb 1.18 1.34 -0.00 0.00 -1.09 0.00 0.00 36.82 38.25 3ek5 h ILE 31 CO 0.07 0.15 -0.01 -1.13 -1.08 0.00 0.00 178.15 176.16 3ek5 h ASN 32 N 0.00 0.01 -0.47 2.19 -1.24 -1.38 -0.88 115.58 113.81 3ek5 h ASN 32 Ca -0.00 -0.54 0.10 0.00 0.71 0.00 0.00 56.30 56.57 3ek5 h ASN 32 Cb 0.33 -0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.28 3ek5 h ASN 32 CO 0.02 0.55 -0.14 0.03 -1.29 0.00 0.00 177.43 176.59 3ek5 h ARG 33 N -0.52 -0.03 -0.43 6.67 3.08 -1.10 0.08 114.38 122.13 3ek5 h ARG 33 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3ek5 h ARG 33 Cb 0.55 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3ek5 h ARG 33 CO 0.00 -0.02 0.28 1.25 -1.07 0.00 0.00 179.97 180.41 3ek5 h LEU 34 N -0.03 0.49 -0.59 3.04 7.12 -1.36 0.85 115.31 124.82 3ek5 h LEU 34 Ca 0.23 -0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.26 3ek5 h LEU 34 Cb 0.38 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.35 3ek5 h LEU 34 CO -0.50 0.35 0.35 0.00 -0.13 0.00 0.00 178.44 178.50 3ek5 h ALA 35 N 1.16 0.77 0.00 1.25 0.00 -0.54 -1.33 119.26 120.57 3ek5 h ALA 35 Ca 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ek5 h ALA 35 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ek5 h ALA 35 CO -0.04 0.06 -0.00 1.25 0.00 0.00 0.00 179.25 180.52 3ek5 h HIS 36 N 0.68 -0.00 -0.92 0.00 -0.00 0.09 -0.87 115.15 114.12 3ek5 h HIS 36 Ca 0.25 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.72 3ek5 h HIS 36 Cb 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.41 3ek5 h HIS 36 CO -0.07 0.04 0.59 0.93 -0.00 0.00 0.00 177.93 179.43 3ek5 h GLU 37 N -0.05 0.86 -0.35 5.26 4.39 -0.62 -0.45 114.58 123.62 3ek5 h GLU 37 Ca -0.00 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.49 3ek5 h GLU 37 Cb 0.05 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3ek5 h GLU 37 CO 0.00 0.57 -0.39 0.28 -1.16 0.00 0.00 179.01 178.30 3ek5 h VAL 38 N 0.88 1.28 -0.35 3.13 2.07 -0.72 -2.47 116.25 120.07 3ek5 h VAL 38 Ca 0.44 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3ek5 h VAL 38 Cb 0.47 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3ek5 h VAL 38 CO -0.20 0.52 0.17 0.40 0.02 0.00 0.00 177.57 178.48 3ek5 h ILE 39 N 0.68 1.17 -0.59 4.57 1.08 -0.87 -0.91 117.51 122.63 3ek5 h ILE 39 Ca 0.05 -0.48 0.09 0.00 -0.39 0.00 0.00 64.86 64.13 3ek5 h ILE 39 Cb 0.99 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 35.50 3ek5 h ILE 39 CO 0.10 0.18 0.22 -0.08 -0.69 0.00 0.00 178.15 177.87 3ek5 h GLU 40 N 0.43 0.39 -0.41 2.37 4.81 -1.00 0.13 114.58 121.30 3ek5 h GLU 40 Ca 0.12 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3ek5 h GLU 40 Cb 0.12 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3ek5 h GLU 40 CO -0.01 0.26 0.17 0.00 -0.73 0.00 0.00 179.01 178.69 3ek5 h ALA 41 N 1.41 0.53 -0.07 2.92 0.00 -1.27 -2.25 119.26 120.53 3ek5 h ALA 41 Ca 0.30 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3ek5 h ALA 41 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ek5 h ALA 41 CO -0.30 0.13 -0.45 0.37 0.00 0.00 0.00 179.25 179.00 3ek5 h GLN 42 N 0.52 0.16 0.00 0.00 -0.00 -0.11 -2.22 115.11 113.45 3ek5 h GLN 42 Ca 0.14 -0.08 -0.12 0.00 -0.00 0.00 0.00 58.65 58.58 3ek5 h GLN 42 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.65 3ek5 h GLN 42 CO -0.01 0.59 -0.59 1.96 0.00 0.00 0.00 178.83 180.78 3ek5 h GLN 43 N 0.13 0.00 0.00 1.69 4.20 -0.71 -2.09 115.11 118.33 3ek5 h GLN 43 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3ek5 h GLN 43 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3ek5 h GLN 43 CO 0.07 0.59 0.00 0.00 -0.67 0.00 0.00 178.83 178.82 3ek5 n ALA 44 N -2.37 2.19 -0.60 3.87 0.00 -0.85 -4.82 120.51 117.92 3ek5 n ALA 44 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ek5 n ALA 44 Cb 0.63 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3ek5 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek5 n GLY 45 N 0.19 1.17 3.89 0.00 0.00 -0.79 -4.90 105.19 104.74 3ek5 n GLY 45 Ca 0.08 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3ek5 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 s ALA 46 N -2.00 3.73 -0.27 4.61 0.00 -1.00 -4.93 121.76 121.91 3ek5 s ALA 46 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 3ek5 s ALA 46 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 3ek5 s ALA 46 CO 0.00 0.62 0.15 -0.65 0.00 0.00 0.00 175.76 175.88 3ek5 s GLN 47 N -2.49 3.87 -0.16 0.00 -0.21 0.73 -4.41 119.66 116.99 3ek5 s GLN 47 Ca 0.40 -0.36 -0.00 0.00 0.02 0.00 0.00 55.36 55.42 3ek5 s GLN 47 Cb -0.12 -3.55 -0.00 0.00 1.00 0.00 0.00 33.01 30.34 3ek5 s GLN 47 CO 0.22 -0.16 -0.14 0.08 -2.12 0.00 0.00 175.29 173.17 3ek5 s VAL 48 N 1.65 2.70 -0.07 1.09 1.01 -1.26 -1.30 120.40 124.21 3ek5 s VAL 48 Ca 0.07 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3ek5 s VAL 48 Cb -0.16 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3ek5 s VAL 48 CO 0.08 0.51 -0.10 0.00 0.00 0.00 0.00 175.10 175.59 3ek5 s ALA 49 N 0.93 2.83 0.07 5.51 0.00 -0.44 -1.09 121.76 129.56 3ek5 s ALA 49 Ca -0.03 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.08 3ek5 s ALA 49 Cb -0.15 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 3ek5 s ALA 49 CO -0.02 0.51 -0.14 -0.51 0.00 0.00 0.00 175.76 175.60 3ek5 s LEU 50 N -0.58 2.82 -0.18 0.00 1.43 0.27 -0.88 118.68 121.57 3ek5 s LEU 50 Ca 0.08 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3ek5 s LEU 50 Cb -0.12 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.51 3ek5 s LEU 50 CO 0.02 0.23 0.05 -0.69 0.23 0.00 0.00 176.35 176.18 3ek5 s VAL 51 N -1.05 0.30 -0.12 -1.59 1.01 -0.19 -1.22 120.40 117.55 3ek5 s VAL 51 Ca 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3ek5 s VAL 51 Cb -0.11 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3ek5 s VAL 51 CO 0.09 -0.20 -0.04 -0.63 0.00 0.00 0.00 175.10 174.31 3ek5 s ILE 52 N 1.96 3.87 0.00 2.22 1.01 -1.26 -0.67 121.20 128.33 3ek5 s ILE 52 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3ek5 s ILE 52 Cb -0.16 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.66 3ek5 s ILE 52 CO -0.08 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3ek5 n GLY 53 N 2.98 -1.89 0.00 6.18 0.00 -0.46 -4.79 105.19 107.21 3ek5 n GLY 53 Ca -0.18 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3ek5 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek5 n GLY 54 N 3.46 -0.03 0.19 -0.02 0.00 -1.26 -4.03 105.19 103.49 3ek5 n GLY 54 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3ek5 n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ek5 h GLY 55 N 0.00 0.00 2.00 -0.02 0.00 -1.86 0.97 103.07 104.16 3ek5 h GLY 55 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ek5 h GLY 55 CO 0.00 0.00 -0.08 3.45 0.00 0.00 0.00 176.54 179.91 3ek5 h ASN 56 N 0.00 0.00 0.00 0.19 -1.07 -1.88 -3.35 115.58 109.46 3ek5 h ASN 56 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.14 3ek5 h ASN 56 Cb 0.10 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.31 3ek5 h ASN 56 CO 0.00 0.08 -1.83 -0.38 0.07 0.00 0.00 177.43 175.38 3ek5 n ILE 57 N -3.22 0.82 -2.64 6.14 2.08 0.03 -1.70 119.36 120.86 3ek5 n ILE 57 Ca 0.00 -0.26 -0.43 0.00 0.56 0.00 0.00 62.75 62.62 3ek5 n ILE 57 Cb 0.34 -1.37 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 3ek5 n ILE 57 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 3ek5 n PHE 58 N -3.32 4.56 -3.98 1.39 -0.00 0.12 -4.89 117.46 111.35 3ek5 n PHE 58 Ca -0.28 -3.06 -0.09 0.00 -0.00 0.00 0.00 57.45 54.02 3ek5 n PHE 58 Cb 0.74 -2.39 -0.06 0.00 -0.00 0.00 0.00 39.48 37.77 3ek5 n PHE 58 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3ek5 s ARG 59 N 2.71 1.40 0.00 -4.13 1.70 -1.26 -4.59 118.95 114.78 3ek5 s ARG 59 Ca 0.48 -1.22 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 3ek5 s ARG 59 Cb 0.02 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 3ek5 s ARG 59 CO 0.03 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.10 3ek5 n GLY 60 N -0.32 0.08 0.38 3.88 0.00 -1.26 -4.21 105.19 103.74 3ek5 n GLY 60 Ca -0.04 -1.47 0.20 0.00 0.00 0.00 0.00 46.02 44.71 3ek5 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 h ALA 61 N 0.00 2.31 0.44 4.61 0.00 -2.01 -0.30 119.26 124.32 3ek5 h ALA 61 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ek5 h ALA 61 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ek5 h ALA 61 CO 0.00 -0.60 -0.21 0.78 0.00 0.00 0.00 179.25 179.22 3ek5 h GLY 62 N 0.00 -0.62 0.12 0.00 0.00 -2.00 -3.01 103.07 97.57 3ek5 h GLY 62 Ca 0.21 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 3ek5 h GLY 62 CO -0.00 -0.23 -0.06 1.41 0.00 0.00 0.00 176.54 177.66 3ek5 h LEU 63 N -0.80 -0.14 -4.09 3.11 4.07 -1.60 -3.34 115.31 112.52 3ek5 h LEU 63 Ca -0.06 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.73 3ek5 h LEU 63 Cb 0.55 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.26 3ek5 h LEU 63 CO 0.10 0.11 -0.28 0.00 -1.08 0.00 0.00 178.44 177.29 3ek5 n ALA 64 N -2.41 5.94 -1.56 1.53 0.00 -0.17 -4.93 120.51 118.92 3ek5 n ALA 64 Ca -0.02 -1.69 -0.44 0.00 0.00 0.00 0.00 53.44 51.29 3ek5 n ALA 64 Cb 0.06 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.18 3ek5 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek5 n ALA 65 N 2.55 -0.60 -0.07 0.00 0.00 -1.14 -4.73 120.51 116.52 3ek5 n ALA 65 Ca 0.40 0.36 -0.07 0.00 0.00 0.00 0.00 53.44 54.13 3ek5 n ALA 65 Cb 0.84 -1.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 3ek5 n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ek5 h SER 66 N 1.72 -0.17 -0.44 0.00 4.64 -1.92 -3.16 113.55 114.22 3ek5 h SER 66 Ca -0.39 0.07 -0.28 0.00 -0.47 0.00 0.00 61.79 60.73 3ek5 h SER 66 Cb 1.36 0.14 -0.18 0.00 -0.31 0.00 0.00 62.40 63.41 3ek5 h SER 66 CO 0.59 -0.05 -0.22 0.61 -0.87 0.00 0.00 176.83 176.89 3ek5 n GLY 67 N -1.23 5.34 3.82 -0.77 0.00 -1.26 -5.04 105.19 106.06 3ek5 n GLY 67 Ca -0.01 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 3ek5 n GLY 67 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ek5 s MET 68 N -3.38 3.50 -0.04 1.61 0.00 -1.20 -4.95 119.30 114.84 3ek5 s MET 68 Ca 0.47 1.06 -0.33 0.00 0.00 0.00 0.00 55.69 56.88 3ek5 s MET 68 Cb 0.41 -2.06 -0.11 0.00 0.00 0.00 0.00 34.83 33.06 3ek5 s MET 68 CO -0.01 -0.65 1.87 -3.47 0.00 0.00 0.00 175.02 172.76 3ek5 n ASP 69 N -2.07 3.55 0.03 1.11 2.03 -1.26 -4.85 116.55 115.08 3ek5 n ASP 69 Ca 0.08 0.97 0.02 0.00 0.52 0.00 0.00 54.79 56.38 3ek5 n ASP 69 Cb 0.53 -1.41 0.36 0.00 -0.72 0.00 0.00 41.12 39.89 3ek5 n ASP 69 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3ek5 h ARG 70 N 9.11 0.47 -0.14 -0.67 9.65 -1.98 0.22 114.38 131.03 3ek5 h ARG 70 Ca -0.48 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.29 3ek5 h ARG 70 Cb 1.26 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 3ek5 h ARG 70 CO 0.94 0.45 -0.06 0.28 2.80 0.00 0.00 179.97 184.38 3ek5 h VAL 71 N 0.46 1.31 -0.81 0.20 2.07 -1.99 0.28 116.25 117.77 3ek5 h VAL 71 Ca 0.11 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.59 3ek5 h VAL 71 Cb 0.21 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3ek5 h VAL 71 CO -0.00 0.31 0.51 0.74 0.02 0.00 0.00 177.57 179.15 3ek5 h THR 72 N -0.04 1.11 0.05 2.57 2.02 -1.81 -0.96 112.91 115.85 3ek5 h THR 72 Ca 0.03 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 66.90 3ek5 h THR 72 Cb 0.51 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3ek5 h THR 72 CO 0.02 0.18 -0.21 1.23 0.37 0.00 0.00 175.52 177.11 3ek5 h GLY 73 N 0.98 -0.33 1.05 2.16 0.00 -0.32 -1.88 103.07 104.74 3ek5 h GLY 73 Ca 0.33 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 3ek5 h GLY 73 CO -0.12 -0.19 0.51 -0.55 0.00 0.00 0.00 176.54 176.19 3ek5 h ASP 74 N -0.36 1.11 -0.72 0.19 3.45 -0.65 -1.68 116.42 117.75 3ek5 h ASP 74 Ca 0.04 -0.09 -0.05 0.00 0.43 0.00 0.00 57.03 57.37 3ek5 h ASP 74 Cb 0.41 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 3ek5 h ASP 74 CO -0.16 0.88 0.27 0.45 -1.57 0.00 0.00 179.24 179.10 3ek5 h HIS 75 N 1.25 1.14 -0.20 4.55 3.86 -0.97 0.46 115.15 125.24 3ek5 h HIS 75 Ca 0.32 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3ek5 h HIS 75 Cb -0.00 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 3ek5 h HIS 75 CO 0.01 0.88 0.13 0.52 0.86 0.00 0.00 177.93 180.33 3ek5 h MET 76 N 1.08 0.26 -0.72 2.45 2.86 -0.82 -1.57 114.93 118.47 3ek5 h MET 76 Ca 0.24 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.95 3ek5 h MET 76 Cb 0.25 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 3ek5 h MET 76 CO -0.02 0.17 0.39 0.78 1.06 0.00 0.00 176.91 179.29 3ek5 h GLY 77 N 0.27 1.07 1.63 8.32 0.00 -0.97 -0.05 103.07 113.34 3ek5 h GLY 77 Ca 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3ek5 h GLY 77 CO -0.02 0.12 0.04 -0.33 0.00 0.00 0.00 176.54 176.34 3ek5 h MET 78 N 0.68 0.48 -0.03 4.80 2.86 -0.32 -0.95 114.93 122.44 3ek5 h MET 78 Ca 0.34 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.71 3ek5 h MET 78 Cb 0.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3ek5 h MET 78 CO -0.23 0.47 -0.77 -0.07 1.06 0.00 0.00 176.91 177.38 3ek5 h LEU 79 N 0.46 0.31 -0.70 1.22 3.38 -0.66 -2.61 115.31 116.72 3ek5 h LEU 79 Ca 0.11 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3ek5 h LEU 79 Cb 0.25 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3ek5 h LEU 79 CO 0.00 0.96 0.41 0.00 0.09 0.00 0.00 178.44 179.91 3ek5 h ALA 80 N 1.03 0.93 -0.26 1.53 0.00 0.26 -2.19 119.26 120.56 3ek5 h ALA 80 Ca -0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3ek5 h ALA 80 Cb 1.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3ek5 h ALA 80 CO 0.12 0.14 -0.25 1.79 0.00 0.00 0.00 179.25 181.05 3ek5 h THR 81 N 0.78 1.27 -0.58 0.00 1.35 -0.97 -1.91 112.91 112.85 3ek5 h THR 81 Ca 0.30 -1.27 -0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3ek5 h THR 81 Cb 0.11 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 67.85 3ek5 h THR 81 CO -0.15 0.40 0.34 0.58 -0.25 0.00 0.00 175.52 176.45 3ek5 h VAL 82 N 0.43 1.17 -0.25 6.82 2.07 -1.05 0.17 116.25 125.61 3ek5 h VAL 82 Ca 0.06 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3ek5 h VAL 82 Cb 0.67 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3ek5 h VAL 82 CO 0.05 0.18 -0.06 0.40 0.02 0.00 0.00 177.57 178.16 3ek5 h ILE 83 N 0.78 0.75 -0.31 4.57 2.04 -1.11 -0.44 117.51 123.79 3ek5 h ILE 83 Ca 0.21 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.09 3ek5 h ILE 83 Cb -0.01 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3ek5 h ILE 83 CO -0.04 0.00 0.14 0.78 0.00 0.00 0.00 178.15 179.03 3ek5 h ASN 84 N 0.00 0.19 -0.92 1.72 -0.26 -0.91 -1.24 115.58 114.16 3ek5 h ASN 84 Ca 0.12 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3ek5 h ASN 84 Cb 0.18 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.38 3ek5 h ASN 84 CO -0.25 0.15 0.58 0.00 -1.06 0.00 0.00 177.43 176.84 3ek5 h ALA 85 N 1.17 1.17 -0.47 -0.83 0.00 -0.36 0.19 119.26 120.13 3ek5 h ALA 85 Ca 0.13 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ek5 h ALA 85 Cb 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3ek5 h ALA 85 CO -0.11 0.61 0.29 -0.07 0.00 0.00 0.00 179.25 179.97 3ek5 h LEU 86 N 1.26 0.48 -0.77 0.00 4.07 -0.77 0.27 115.31 119.85 3ek5 h LEU 86 Ca 0.33 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.23 3ek5 h LEU 86 Cb -0.09 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 3ek5 h LEU 86 CO -0.07 0.34 0.18 0.00 -1.08 0.00 0.00 178.44 177.82 3ek5 h ALA 87 N 1.20 0.99 -0.57 1.53 0.00 -0.05 -2.13 119.26 120.23 3ek5 h ALA 87 Ca 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3ek5 h ALA 87 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3ek5 h ALA 87 CO -0.07 0.66 0.09 0.52 0.00 0.00 0.00 179.25 180.45 3ek5 h MET 88 N 1.06 0.92 0.99 0.00 2.86 -0.03 -2.19 114.93 118.54 3ek5 h MET 88 Ca 0.22 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3ek5 h MET 88 Cb 0.35 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.90 3ek5 h MET 88 CO -0.00 0.85 -0.48 0.37 1.06 0.00 0.00 176.91 178.72 3ek5 h GLN 89 N 0.87 -1.29 -0.78 1.72 4.15 0.12 -0.88 115.11 119.01 3ek5 h GLN 89 Ca 0.18 0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.76 3ek5 h GLN 89 Cb 0.38 0.29 -0.09 0.00 0.21 0.00 0.00 27.48 28.27 3ek5 h GLN 89 CO 0.01 -0.86 -0.46 -0.44 -1.93 0.00 0.00 178.83 175.15 3ek5 h ASP 90 N -1.34 -1.70 -0.29 -0.69 3.45 -1.34 0.24 116.42 114.75 3ek5 h ASP 90 Ca -0.14 0.26 0.05 0.00 0.43 0.00 0.00 57.03 57.63 3ek5 h ASP 90 Cb 1.02 0.75 -0.08 0.00 -0.56 0.00 0.00 39.33 40.47 3ek5 h ASP 90 CO 0.22 -0.18 -0.51 0.00 -1.57 0.00 0.00 179.24 177.20 3ek5 h ALA 91 N 0.18 -0.72 -0.70 3.45 0.00 -1.27 0.15 119.26 120.34 3ek5 h ALA 91 Ca 0.13 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.14 3ek5 h ALA 91 Cb 0.32 1.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 3ek5 h ALA 91 CO -0.74 -1.01 0.29 -0.07 0.00 0.00 0.00 179.25 177.72 3ek5 h LEU 92 N -0.46 0.32 -0.97 0.00 3.38 -0.47 -2.28 115.31 114.83 3ek5 h LEU 92 Ca 0.07 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3ek5 h LEU 92 Cb 0.63 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ek5 h LEU 92 CO -0.52 0.16 -0.46 -0.33 0.09 0.00 0.00 178.44 177.38 3ek5 h GLU 93 N 0.48 0.13 -0.48 1.13 5.08 0.13 -1.73 114.58 119.32 3ek5 h GLU 93 Ca 0.36 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3ek5 h GLU 93 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3ek5 h GLU 93 CO -0.33 0.56 0.30 0.87 -1.00 0.00 0.00 179.01 179.41 3ek5 h LYS 94 N 0.10 0.64 -0.94 2.33 1.57 -0.20 -0.45 116.57 119.62 3ek5 h LYS 94 Ca 0.01 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.47 3ek5 h LYS 94 Cb 0.85 -0.14 -0.16 0.00 0.08 0.00 0.00 32.23 32.86 3ek5 h LYS 94 CO 0.07 0.44 0.35 1.28 -0.57 0.00 0.00 179.45 181.01 3ek5 n LEU 95 N -4.45 5.21 0.00 2.94 4.77 -0.71 -4.90 117.00 119.86 3ek5 n LEU 95 Ca 0.04 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 3ek5 n LEU 95 Cb 0.07 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 3ek5 n LEU 95 CO 0.36 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 3ek5 n GLY 96 N -0.38 0.42 3.81 -0.72 0.00 -0.18 -5.01 105.19 103.14 3ek5 n GLY 96 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 3ek5 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 s ALA 97 N -2.10 3.04 -0.12 4.61 0.00 -0.84 -4.99 121.76 121.36 3ek5 s ALA 97 Ca 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 3ek5 s ALA 97 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 3ek5 s ALA 97 CO 0.00 0.06 0.31 0.15 0.00 0.00 0.00 175.76 176.28 3ek5 s LYS 98 N -3.03 4.11 0.03 0.00 1.02 -1.26 -4.20 119.74 116.40 3ek5 s LYS 98 Ca 0.61 0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.76 3ek5 s LYS 98 Cb -0.12 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 3ek5 s LYS 98 CO 0.16 0.38 -0.05 0.08 -0.92 0.00 0.00 175.35 174.99 3ek5 s VAL 99 N 0.03 0.31 -0.17 3.17 1.01 -1.26 -1.04 120.40 122.45 3ek5 s VAL 99 Ca 0.18 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3ek5 s VAL 99 Cb -0.14 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 35.89 3ek5 s VAL 99 CO 0.06 -0.38 0.03 -0.13 0.00 0.00 0.00 175.10 174.68 3ek5 s ARG 100 N -1.34 0.67 0.03 2.72 1.81 -0.38 -4.92 118.95 117.54 3ek5 s ARG 100 Ca -0.11 -0.35 -0.27 0.00 -1.72 0.00 0.00 55.73 53.28 3ek5 s ARG 100 Cb -0.09 -1.94 -0.05 0.00 -0.45 0.00 0.00 34.95 32.42 3ek5 s ARG 100 CO -0.00 -0.58 0.83 0.08 -0.68 0.00 0.00 175.30 174.94 3ek5 s VAL 101 N 1.87 4.77 -0.13 3.52 1.01 -1.26 -1.43 120.40 128.75 3ek5 s VAL 101 Ca 0.00 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 3ek5 s VAL 101 Cb -0.16 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.08 3ek5 s VAL 101 CO -0.08 0.30 -0.02 -0.04 0.00 0.00 0.00 175.10 175.27 3ek5 s MET 102 N 0.29 0.98 -0.02 2.72 -1.94 0.54 -2.79 119.30 119.08 3ek5 s MET 102 Ca 0.42 -0.23 -0.03 0.00 -1.71 0.00 0.00 55.69 54.15 3ek5 s MET 102 Cb -0.21 -1.59 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 3ek5 s MET 102 CO 0.24 -0.41 0.17 0.45 -0.01 0.00 0.00 175.02 175.46 3ek5 s SER 103 N 1.82 6.29 0.35 3.03 0.15 -0.41 -0.66 113.70 124.28 3ek5 s SER 103 Ca 0.03 0.34 0.20 0.00 0.70 0.00 0.00 55.95 57.21 3ek5 s SER 103 Cb -0.14 -1.97 0.20 0.00 -1.71 0.00 0.00 66.02 62.40 3ek5 s SER 103 CO -0.07 0.28 1.48 0.00 1.20 0.00 0.00 173.24 176.13 3ek5 h ALA 104 N 3.97 0.83 -3.98 5.45 0.00 -1.47 0.37 119.26 124.43 3ek5 h ALA 104 Ca -0.50 -0.20 -0.69 0.00 0.00 0.00 0.00 54.91 53.53 3ek5 h ALA 104 Cb 1.19 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.74 3ek5 h ALA 104 CO 0.67 0.26 -0.84 0.96 0.00 0.00 0.00 179.25 180.30 3ek5 s ILE 105 N -3.12 2.50 -0.07 0.00 -4.36 -1.26 -4.63 121.20 110.26 3ek5 s ILE 105 Ca 0.05 -1.46 -0.30 0.00 -0.26 0.00 0.00 60.65 58.68 3ek5 s ILE 105 Cb 0.06 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 3ek5 s ILE 105 CO 0.71 0.23 1.37 -0.54 0.24 0.00 0.00 174.94 176.95 3ek5 s LYS 106 N -1.71 4.26 -0.40 0.37 3.01 -1.26 -4.89 119.74 119.12 3ek5 s LYS 106 Ca 0.14 1.87 0.09 0.00 -1.01 0.00 0.00 55.97 57.06 3ek5 s LYS 106 Cb -0.10 -3.69 0.31 0.00 -1.01 0.00 0.00 37.83 33.34 3ek5 s LYS 106 CO 0.06 -0.64 0.78 -0.89 0.51 0.00 0.00 175.35 175.17 3ek5 n ILE 107 N 4.99 -0.23 0.26 2.17 5.41 -1.26 -5.00 119.36 125.70 3ek5 n ILE 107 Ca 0.14 -3.56 0.10 0.00 1.00 0.00 0.00 62.75 60.42 3ek5 n ILE 107 Cb 0.44 -0.10 0.70 0.00 -0.71 0.00 0.00 39.64 39.98 3ek5 n ILE 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3ek5 h ASN 108 N 3.29 0.00 -0.36 4.38 -0.26 -1.90 -0.13 115.58 120.60 3ek5 h ASN 108 Ca 0.03 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.83 3ek5 h ASN 108 Cb 0.98 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.19 3ek5 h ASN 108 CO 0.40 0.00 0.03 0.44 -1.06 0.00 0.00 177.43 177.24 3ek5 h ASP 109 N 0.00 -0.08 0.42 5.81 5.19 -2.01 -3.23 116.42 122.52 3ek5 h ASP 109 Ca 0.00 0.07 -0.31 0.00 -0.62 0.00 0.00 57.03 56.18 3ek5 h ASP 109 Cb 0.02 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 3ek5 h ASP 109 CO -0.00 -0.01 -1.67 0.58 -3.12 0.00 0.00 179.24 175.03 3ek5 h VAL 110 N 0.13 0.96 -2.22 -1.35 2.07 -1.52 -3.48 116.25 110.85 3ek5 h VAL 110 Ca 0.17 -2.69 0.11 0.00 0.82 0.00 0.00 66.70 65.11 3ek5 h VAL 110 Cb 0.22 2.60 -0.16 0.00 -1.52 0.00 0.00 31.29 32.43 3ek5 h VAL 110 CO -0.26 0.74 0.51 0.00 0.02 0.00 0.00 177.57 178.57 3ek5 s GLU 112 N -3.00 3.29 0.61 0.00 -1.05 -1.12 -3.72 118.70 113.71 3ek5 s GLU 112 Ca 0.05 1.21 -0.17 0.00 -0.15 0.00 0.00 54.97 55.90 3ek5 s GLU 112 Cb -0.01 -2.03 -0.03 0.00 -0.44 0.00 0.00 34.13 31.62 3ek5 s GLU 112 CO -0.08 -0.83 1.13 0.34 0.95 0.00 0.00 175.26 176.77 3ek5 s ASP 113 N -2.79 5.34 0.03 0.83 -1.08 -1.26 -1.28 116.67 116.45 3ek5 s ASP 113 Ca 0.64 2.13 -0.29 0.00 -0.52 0.00 0.00 52.55 54.50 3ek5 s ASP 113 Cb -0.16 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.69 3ek5 s ASP 113 CO 0.37 -1.48 0.94 0.12 0.52 0.00 0.00 175.17 175.65 3ek5 s PHE 114 N -2.01 3.70 -0.16 -5.34 5.36 0.13 -4.51 117.98 115.15 3ek5 s PHE 114 Ca 0.71 1.68 -0.04 0.00 -0.96 0.00 0.00 56.93 58.32 3ek5 s PHE 114 Cb -0.23 -3.06 0.08 0.00 -0.34 0.00 0.00 43.02 39.46 3ek5 s PHE 114 CO 0.34 0.07 0.25 0.42 -1.46 0.00 0.00 175.22 174.84 3ek5 s ILE 115 N 0.65 -0.38 0.21 3.12 1.01 -1.26 -4.98 121.20 119.56 3ek5 s ILE 115 Ca 0.49 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 61.15 3ek5 s ILE 115 Cb -0.21 -0.54 0.19 0.00 0.01 0.00 0.00 42.46 41.90 3ek5 s ILE 115 CO 0.28 -0.01 1.67 -0.09 0.00 0.00 0.00 174.94 176.78 3ek5 h ARG 116 N 8.30 0.12 -0.84 2.79 2.43 -1.95 0.34 114.38 125.56 3ek5 h ARG 116 Ca -0.15 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 3ek5 h ARG 116 Cb 1.13 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 3ek5 h ARG 116 CO 0.20 0.08 0.38 0.00 -1.51 0.00 0.00 179.97 179.12 3ek5 h ARG 117 N 0.12 1.22 -0.39 0.20 3.08 -1.97 -1.13 114.38 115.51 3ek5 h ARG 117 Ca 0.31 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3ek5 h ARG 117 Cb 0.49 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3ek5 h ARG 117 CO -0.50 0.95 0.20 0.00 -1.07 0.00 0.00 179.97 179.55 3ek5 h ARG 118 N 1.21 0.56 -0.35 0.04 2.47 -1.53 -1.84 114.38 114.94 3ek5 h ARG 118 Ca 0.29 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.91 3ek5 h ARG 118 Cb 0.15 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 3ek5 h ARG 118 CO -0.03 0.49 0.15 0.00 0.56 0.00 0.00 179.97 181.13 3ek5 h ALA 119 N 1.05 0.46 -0.41 0.04 0.00 -0.61 0.16 119.26 119.95 3ek5 h ALA 119 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ek5 h ALA 119 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ek5 h ALA 119 CO -0.02 0.05 0.23 0.82 0.00 0.00 0.00 179.25 180.33 3ek5 h ILE 120 N 0.43 1.14 -0.18 0.00 2.04 -1.17 -1.69 117.51 118.09 3ek5 h ILE 120 Ca 0.12 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.66 3ek5 h ILE 120 Cb 0.17 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3ek5 h ILE 120 CO -0.01 0.15 -0.08 -0.09 0.00 0.00 0.00 178.15 178.11 3ek5 h ARG 121 N 0.53 -0.06 -0.95 2.37 9.65 -0.79 -0.64 114.38 124.49 3ek5 h ARG 121 Ca 0.14 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 59.23 3ek5 h ARG 121 Cb 0.03 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.55 3ek5 h ARG 121 CO -0.02 -0.04 0.61 0.45 2.80 0.00 0.00 179.97 183.76 3ek5 h HIS 122 N -0.06 0.74 -0.34 2.20 3.86 -0.05 0.45 115.15 121.95 3ek5 h HIS 122 Ca 0.10 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 3ek5 h HIS 122 Cb 0.21 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3ek5 h HIS 122 CO -0.23 0.19 -0.18 -0.07 0.86 0.00 0.00 177.93 178.49 3ek5 h LEU 123 N 0.55 0.75 -1.43 2.43 3.38 -0.42 -1.70 115.31 118.87 3ek5 h LEU 123 Ca 0.51 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ek5 h LEU 123 Cb 1.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3ek5 h LEU 123 CO -0.25 1.00 0.17 -0.33 0.09 0.00 0.00 178.44 179.12 3ek5 h GLU 124 N 0.51 0.55 0.00 1.13 5.08 0.55 -2.15 114.58 120.25 3ek5 h GLU 124 Ca 0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3ek5 h GLU 124 Cb 0.72 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3ek5 h GLU 124 CO 0.05 0.45 0.00 1.63 -1.00 0.00 0.00 179.01 180.14 3ek5 n LYS 125 N -4.39 0.35 -0.11 2.33 5.02 -0.74 -4.88 118.16 115.74 3ek5 n LYS 125 Ca 0.03 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3ek5 n LYS 125 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3ek5 n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ek5 n GLY 126 N 0.87 0.94 3.85 0.72 0.00 -0.81 -5.08 105.19 105.68 3ek5 n GLY 126 Ca 0.12 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3ek5 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek5 s ARG 127 N -0.86 3.98 -0.15 1.61 0.52 -0.65 -4.79 118.95 118.61 3ek5 s ARG 127 Ca 0.00 0.64 -0.22 0.00 -0.52 0.00 0.00 55.73 55.63 3ek5 s ARG 127 Cb 0.00 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.01 3ek5 s ARG 127 CO 0.00 0.14 0.67 0.42 0.02 0.00 0.00 175.30 176.55 3ek5 s ILE 128 N -2.01 5.02 -0.22 1.52 1.01 -0.21 -4.36 121.20 121.95 3ek5 s ILE 128 Ca 0.54 1.30 -0.15 0.00 0.00 0.00 0.00 60.65 62.34 3ek5 s ILE 128 Cb -0.10 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3ek5 s ILE 128 CO 0.19 0.15 0.38 0.00 0.00 0.00 0.00 174.94 175.66 3ek5 s ALA 129 N 1.54 3.57 -0.24 9.38 0.00 -0.25 -1.25 121.76 134.50 3ek5 s ALA 129 Ca 0.32 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3ek5 s ALA 129 Cb -0.16 -2.64 0.04 0.00 0.00 0.00 0.00 23.12 20.35 3ek5 s ALA 129 CO 0.13 -0.41 -0.10 0.42 0.00 0.00 0.00 175.76 175.80 3ek5 s ILE 130 N 1.54 2.50 -0.21 0.00 1.01 -0.51 0.93 121.20 126.46 3ek5 s ILE 130 Ca 0.17 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.48 3ek5 s ILE 130 Cb -0.15 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3ek5 s ILE 130 CO 0.08 0.16 0.13 -0.36 0.00 0.00 0.00 174.94 174.95 3ek5 s PHE 131 N 1.24 3.38 0.25 3.97 0.08 -0.35 -0.34 117.98 126.21 3ek5 s PHE 131 Ca -0.02 0.29 0.11 0.00 0.12 0.00 0.00 56.93 57.43 3ek5 s PHE 131 Cb -0.17 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.05 3ek5 s PHE 131 CO -0.06 0.23 -0.21 0.00 -0.10 0.00 0.00 175.22 175.09 3ek5 s ALA 132 N 0.51 2.63 -0.74 5.36 0.00 0.17 -4.44 121.76 125.26 3ek5 s ALA 132 Ca 0.08 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3ek5 s ALA 132 Cb -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3ek5 s ALA 132 CO -0.01 0.30 0.00 0.00 0.00 0.00 0.00 175.76 176.06 3ek5 n ALA 133 N -0.37 -0.21 -0.56 0.00 0.00 -1.26 -1.38 120.51 116.73 3ek5 n ALA 133 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ek5 n ALA 133 Cb 0.59 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3ek5 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek5 n GLY 134 N -1.27 3.11 0.00 0.00 0.00 -1.26 -1.03 105.19 104.75 3ek5 n GLY 134 Ca -0.09 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3ek5 n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ek5 n THR 135 N 0.00 0.00 -0.61 2.61 -2.24 -1.26 -4.71 114.28 108.07 3ek5 n THR 135 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ek5 n THR 135 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3ek5 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ek5 n GLY 136 N 1.49 0.75 3.25 3.38 0.00 -0.19 -4.96 105.19 108.91 3ek5 n GLY 136 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3ek5 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ek5 s ASN 137 N -2.46 2.40 1.06 1.61 0.01 -1.26 -4.95 114.94 111.35 3ek5 s ASN 137 Ca 0.00 -0.54 -0.14 0.00 -0.71 0.00 0.00 52.86 51.47 3ek5 s ASN 137 Cb 0.00 -0.19 0.22 0.00 0.41 0.00 0.00 41.25 41.70 3ek5 s ASN 137 CO 0.00 0.13 1.09 -2.16 -1.51 0.00 0.00 177.10 174.65 3ek5 s PRO 138 N -1.28 -0.08 0.00 -0.60 0.04 -1.26 -3.72 135.00 128.10 3ek5 s PRO 138 Ca 0.07 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3ek5 s PRO 138 Cb -0.09 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.76 3ek5 s PRO 138 CO 0.02 -3.05 0.00 1.19 0.04 0.00 0.00 177.00 175.20 3ek5 n PHE 139 N -4.38 0.00 -5.09 0.56 3.72 -1.26 -4.97 117.46 106.04 3ek5 n PHE 139 Ca 0.06 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.15 3ek5 n PHE 139 Cb 0.58 -1.47 -0.15 0.00 -0.94 0.00 0.00 39.48 37.49 3ek5 n PHE 139 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3ek5 s PHE 140 N -1.31 2.40 0.64 1.38 0.08 -1.24 -5.14 117.98 114.79 3ek5 s PHE 140 Ca 0.00 -0.37 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 3ek5 s PHE 140 Cb 0.00 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.99 3ek5 s PHE 140 CO 0.00 0.06 0.96 0.95 -0.10 0.00 0.00 175.22 177.09 3ek5 s THR 141 N -0.70 3.07 0.31 0.64 -4.23 -1.26 -4.92 115.64 108.54 3ek5 s THR 141 Ca 0.11 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 3ek5 s THR 141 Cb -0.10 -3.27 0.27 0.00 1.34 0.00 0.00 72.50 70.74 3ek5 s THR 141 CO 0.01 -0.28 1.97 0.74 -0.54 0.00 0.00 174.62 176.51 3ek5 h THR 142 N -0.38 1.19 -0.83 3.99 2.02 -2.00 -1.98 112.91 114.92 3ek5 h THR 142 Ca -0.45 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 66.42 3ek5 h THR 142 Cb 1.28 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 3ek5 h THR 142 CO 0.61 0.20 0.52 0.44 0.37 0.00 0.00 175.52 177.65 3ek5 h ASP 143 N 1.07 0.83 -0.79 4.18 3.32 -1.99 0.34 116.42 123.38 3ek5 h ASP 143 Ca 0.31 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 3ek5 h ASP 143 Cb -0.08 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 3ek5 h ASP 143 CO -0.07 0.54 0.33 0.28 -1.72 0.00 0.00 179.24 178.59 3ek5 h SER 144 N 0.97 1.09 -0.10 6.45 0.02 -1.73 0.18 113.55 120.43 3ek5 h SER 144 Ca 0.35 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3ek5 h SER 144 Cb 0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3ek5 h SER 144 CO -0.16 0.95 -0.21 1.23 -1.14 0.00 0.00 176.83 177.51 3ek5 h GLY 145 N 1.16 0.55 0.88 -3.77 0.00 -0.69 -1.17 103.07 100.05 3ek5 h GLY 145 Ca 0.27 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 3ek5 h GLY 145 CO -0.02 0.39 -0.28 0.00 0.00 0.00 0.00 176.54 176.63 3ek5 h ALA 146 N 1.32 0.32 -0.94 3.60 0.00 -0.23 -1.88 119.26 121.45 3ek5 h ALA 146 Ca 0.07 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3ek5 h ALA 146 Cb 0.62 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3ek5 h ALA 146 CO 0.04 0.33 0.62 0.00 0.00 0.00 0.00 179.25 180.24 3ek5 h ALA 147 N 0.63 1.35 -0.02 0.00 0.00 -0.82 -0.74 119.26 119.65 3ek5 h ALA 147 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ek5 h ALA 147 Cb 0.86 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ek5 h ALA 147 CO 0.07 0.60 0.00 1.25 0.00 0.00 0.00 179.25 181.17 3ek5 h LEU 148 N 1.25 0.04 -1.04 0.00 6.46 -1.15 -2.35 115.31 118.52 3ek5 h LEU 148 Ca 0.35 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 3ek5 h LEU 148 Cb -0.12 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 3ek5 h LEU 148 CO -0.08 0.27 0.36 0.03 -0.62 0.00 0.00 178.44 178.40 3ek5 h ARG 149 N -0.20 1.04 0.18 1.25 2.47 -1.01 -1.34 114.38 116.77 3ek5 h ARG 149 Ca 0.01 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.59 3ek5 h ARG 149 Cb 0.25 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3ek5 h ARG 149 CO 0.00 0.80 -0.12 0.00 0.56 0.00 0.00 179.97 181.21 3ek5 h ALA 150 N 1.36 -0.28 -0.26 0.04 0.00 -0.95 -1.09 119.26 118.07 3ek5 h ALA 150 Ca 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ek5 h ALA 150 Cb 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ek5 h ALA 150 CO -0.03 -0.67 0.15 0.82 0.00 0.00 0.00 179.25 179.52 3ek5 h ILE 151 N -0.30 1.11 -0.79 0.00 2.04 -1.13 0.19 117.51 118.63 3ek5 h ILE 151 Ca -0.02 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.68 3ek5 h ILE 151 Cb 0.25 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 3ek5 h ILE 151 CO 0.01 0.10 0.52 -0.33 0.00 0.00 0.00 178.15 178.45 3ek5 h GLU 152 N 0.32 0.70 -0.12 2.37 5.08 -0.98 -1.53 114.58 120.41 3ek5 h GLU 152 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ek5 h GLU 152 Cb 0.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3ek5 h GLU 152 CO -0.02 0.46 0.00 0.44 -1.00 0.00 0.00 179.01 178.90 3ek5 n ILE 153 N -4.51 0.14 -3.18 3.13 -5.35 -0.44 -4.96 119.36 104.20 3ek5 n ILE 153 Ca 0.13 -0.42 -0.14 0.00 -0.27 0.00 0.00 62.75 62.05 3ek5 n ILE 153 Cb 0.33 0.79 0.07 0.00 -1.74 0.00 0.00 39.64 39.09 3ek5 n ILE 153 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ek5 n GLY 154 N 1.26 -0.21 3.76 3.28 0.00 -0.58 -4.96 105.19 107.75 3ek5 n GLY 154 Ca 0.17 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3ek5 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 s ALA 155 N -3.29 3.08 -0.38 4.61 0.00 -0.02 -4.86 121.76 120.90 3ek5 s ALA 155 Ca 0.05 1.19 0.21 0.00 0.00 0.00 0.00 51.96 53.42 3ek5 s ALA 155 Cb -0.02 -3.48 0.27 0.00 0.00 0.00 0.00 23.12 19.89 3ek5 s ALA 155 CO 0.59 -0.92 1.56 -0.44 0.00 0.00 0.00 175.76 176.54 3ek5 h ASP 156 N 2.22 0.00 -3.90 0.00 3.32 0.71 -3.47 116.42 115.30 3ek5 h ASP 156 Ca -0.50 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 3ek5 h ASP 156 Cb 1.26 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.58 3ek5 h ASP 156 CO 0.61 0.11 -0.05 -0.22 -1.72 0.00 0.00 179.24 177.96 3ek5 s LEU 157 N -6.24 -0.19 -0.18 1.55 2.96 -1.16 -4.53 118.68 110.88 3ek5 s LEU 157 Ca 0.06 1.15 -0.04 0.00 -0.22 0.00 0.00 54.13 55.09 3ek5 s LEU 157 Cb 0.06 1.95 -0.02 0.00 0.50 0.00 0.00 46.19 48.68 3ek5 s LEU 157 CO 0.69 -0.20 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.26 3ek5 s LEU 158 N 0.36 3.08 -0.05 -0.68 0.20 -0.52 -2.09 118.68 118.99 3ek5 s LEU 158 Ca -0.00 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.61 3ek5 s LEU 158 Cb -0.04 -1.76 -0.02 0.00 -0.43 0.00 0.00 46.19 43.93 3ek5 s LEU 158 CO -0.00 0.09 -0.15 -0.76 -0.29 0.00 0.00 176.35 175.23 3ek5 s LEU 159 N 0.85 2.66 -0.28 -0.68 1.02 -0.28 -0.84 118.68 121.12 3ek5 s LEU 159 Ca -0.01 -0.23 0.01 0.00 0.02 0.00 0.00 54.13 53.92 3ek5 s LEU 159 Cb -0.15 -1.53 0.08 0.00 0.02 0.00 0.00 46.19 44.61 3ek5 s LEU 159 CO 0.02 0.33 0.01 -0.75 0.02 0.00 0.00 176.35 175.98 3ek5 s LYS 160 N -0.65 1.35 0.04 1.70 2.20 -0.61 -1.50 119.74 122.26 3ek5 s LYS 160 Ca 0.10 -1.24 -0.30 0.00 -0.36 0.00 0.00 55.97 54.16 3ek5 s LYS 160 Cb -0.11 -2.60 -0.06 0.00 -1.51 0.00 0.00 37.83 33.55 3ek5 s LYS 160 CO 0.01 -0.79 1.35 0.00 -0.36 0.00 0.00 175.35 175.56 3ek5 s ALA 161 N 1.32 3.55 0.39 3.13 0.00 -0.71 -2.62 121.76 126.81 3ek5 s ALA 161 Ca 0.03 0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.95 3ek5 s ALA 161 Cb -0.18 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 3ek5 s ALA 161 CO -0.12 -0.75 0.16 0.99 0.00 0.00 0.00 175.76 176.05 3ek5 s THR 162 N 1.84 0.45 -0.00 0.00 2.01 0.16 -4.48 115.64 115.62 3ek5 s THR 162 Ca 0.63 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 60.37 3ek5 s THR 162 Cb -0.32 -2.39 -0.19 0.00 0.01 0.00 0.00 72.50 69.61 3ek5 s THR 162 CO 0.28 0.00 1.33 0.11 -0.69 0.00 0.00 174.62 175.65 3ek5 h LYS 163 N 1.89 -0.03 -6.24 4.92 1.57 -1.96 -3.34 116.57 113.39 3ek5 h LYS 163 Ca -0.33 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.89 3ek5 h LYS 163 Cb 1.26 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 3ek5 h LYS 163 CO 0.52 0.37 0.47 0.08 -0.57 0.00 0.00 179.45 180.32 3ek5 s VAL 164 N -4.56 4.83 -1.08 0.50 1.01 -1.26 -4.80 120.40 115.04 3ek5 s VAL 164 Ca -0.15 1.96 -0.23 0.00 0.00 0.00 0.00 61.98 63.56 3ek5 s VAL 164 Cb 0.02 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3ek5 s VAL 164 CO 0.66 0.06 1.85 -0.62 0.00 0.00 0.00 175.10 177.05 3ek5 s ASP 165 N 1.06 5.49 0.00 3.32 3.68 -1.26 -4.05 116.67 124.90 3ek5 s ASP 165 Ca 0.47 -1.40 0.00 0.00 2.13 0.00 0.00 52.55 53.75 3ek5 s ASP 165 Cb -0.19 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.71 3ek5 s ASP 165 CO 0.20 -2.52 0.00 0.61 0.13 0.00 0.00 175.17 173.58 3ek5 n GLY 166 N 6.25 -1.63 3.43 2.66 0.00 -1.20 -4.56 105.19 110.13 3ek5 n GLY 166 Ca 0.42 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 3ek5 n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek5 s VAL 167 N 0.00 4.29 0.10 1.61 1.01 -1.26 -4.89 120.40 121.26 3ek5 s VAL 167 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3ek5 s VAL 167 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3ek5 s VAL 167 CO 0.00 0.28 0.12 -0.31 0.00 0.00 0.00 175.10 175.18 3ek5 s TYR 168 N 1.60 3.23 0.13 5.22 1.51 -1.26 -1.06 117.35 126.72 3ek5 s TYR 168 Ca 0.06 0.07 -0.21 0.00 -1.01 0.00 0.00 57.07 55.98 3ek5 s TYR 168 Cb -0.16 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 3ek5 s TYR 168 CO 0.04 0.53 1.68 0.38 -1.11 0.00 0.00 175.55 177.07 3ek5 h ASP 169 N 3.00 -0.33 -4.19 2.29 -0.00 -1.48 -3.42 116.42 112.29 3ek5 h ASP 169 Ca -0.47 0.08 -0.58 0.00 -0.00 0.00 0.00 57.03 56.06 3ek5 h ASP 169 Cb 1.17 0.18 -0.23 0.00 -0.00 0.00 0.00 39.33 40.45 3ek5 h ASP 169 CO 0.66 -0.13 -0.84 -0.54 -0.00 0.00 0.00 179.24 178.40 3ek5 s LYS 170 N -6.18 1.24 0.03 4.15 3.01 -1.26 -5.04 119.74 115.69 3ek5 s LYS 170 Ca -0.14 -1.11 -0.37 0.00 -1.01 0.00 0.00 55.97 53.34 3ek5 s LYS 170 Cb 0.10 -1.48 -0.16 0.00 -1.01 0.00 0.00 37.83 35.28 3ek5 s LYS 170 CO 0.68 0.36 1.44 -3.47 0.51 0.00 0.00 175.35 174.87 3ek5 n ASP 171 N 1.31 1.94 -1.17 2.83 2.03 -1.26 -4.72 116.55 117.51 3ek5 n ASP 171 Ca -0.19 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.23 3ek5 n ASP 171 Cb 0.53 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 3ek5 n ASP 171 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3ek5 n PRO 172 N 3.15 0.15 0.00 -0.67 -0.02 -1.26 -0.76 135.00 135.59 3ek5 n PRO 172 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3ek5 n PRO 172 Cb 0.19 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 3ek5 n PRO 172 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ek5 n LYS 173 N 1.11 2.25 0.00 -0.52 4.76 -1.26 -4.99 118.16 119.51 3ek5 n LYS 173 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3ek5 n LYS 173 Cb 0.07 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 3ek5 n LYS 173 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3ek5 n LYS 174 N -1.19 0.00 -3.18 1.97 4.81 0.06 -4.71 118.16 115.92 3ek5 n LYS 174 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 3ek5 n LYS 174 Cb 0.21 -0.34 -0.07 0.00 0.02 0.00 0.00 35.03 34.85 3ek5 n LYS 174 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 3ek5 s HIS 175 N -0.11 3.30 -0.09 5.64 -3.43 -1.26 -4.92 115.29 114.42 3ek5 s HIS 175 Ca 0.00 0.75 0.22 0.00 -0.80 0.00 0.00 55.06 55.23 3ek5 s HIS 175 Cb 0.00 -2.76 1.18 0.00 -1.43 0.00 0.00 32.58 29.57 3ek5 s HIS 175 CO 0.00 -0.25 1.64 0.66 -2.00 0.00 0.00 174.74 174.79 3ek5 h SER 176 N 7.82 0.00 -0.85 7.38 4.64 -1.90 -1.10 113.55 129.55 3ek5 h SER 176 Ca -0.29 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.59 3ek5 h SER 176 Cb 1.14 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.96 3ek5 h SER 176 CO 0.74 0.00 0.56 -0.90 -0.87 0.00 0.00 176.83 176.37 3ek5 n ASP 177 N -2.28 3.69 -4.68 4.97 3.85 -1.26 -4.96 116.55 115.88 3ek5 n ASP 177 Ca -0.01 -3.37 -0.47 0.00 -0.71 0.00 0.00 54.79 50.23 3ek5 n ASP 177 Cb 0.10 -0.79 -0.04 0.00 -1.35 0.00 0.00 41.12 39.03 3ek5 n ASP 177 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ek5 n ALA 178 N -0.89 1.04 -2.81 2.12 0.00 -0.42 -4.97 120.51 114.59 3ek5 n ALA 178 Ca 0.51 0.28 -0.36 0.00 0.00 0.00 0.00 53.44 53.87 3ek5 n ALA 178 Cb 1.49 -2.52 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 3ek5 n ALA 178 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ek5 s VAL 179 N 3.97 5.16 0.13 0.00 1.01 -1.26 -4.92 120.40 124.49 3ek5 s VAL 179 Ca 0.91 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.76 3ek5 s VAL 179 Cb -0.65 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 3ek5 s VAL 179 CO 0.49 0.55 0.67 -0.60 0.00 0.00 0.00 175.10 176.22 3ek5 s ARG 180 N -0.45 4.37 0.13 2.72 3.52 -1.26 -1.14 118.95 126.84 3ek5 s ARG 180 Ca 0.11 0.93 -0.21 0.00 -0.13 0.00 0.00 55.73 56.43 3ek5 s ARG 180 Cb -0.12 -3.22 -0.07 0.00 -1.56 0.00 0.00 34.95 29.98 3ek5 s ARG 180 CO 0.02 0.59 0.66 0.71 -0.81 0.00 0.00 175.30 176.46 3ek5 s TYR 181 N -1.17 3.81 -0.13 5.12 1.51 -0.22 -4.97 117.35 121.30 3ek5 s TYR 181 Ca 0.33 1.40 -0.11 0.00 -1.01 0.00 0.00 57.07 57.68 3ek5 s TYR 181 Cb -0.21 -2.60 -0.25 0.00 -0.11 0.00 0.00 41.96 38.80 3ek5 s TYR 181 CO 0.22 0.52 0.37 -0.44 -1.11 0.00 0.00 175.55 175.11 3ek5 h ASP 182 N 4.25 0.34 -4.58 2.29 3.32 -1.90 -3.38 116.42 116.76 3ek5 h ASP 182 Ca -0.48 -0.85 -0.21 0.00 0.02 0.00 0.00 57.03 55.50 3ek5 h ASP 182 Cb 1.21 -0.11 -0.23 0.00 0.22 0.00 0.00 39.33 40.42 3ek5 h ASP 182 CO 0.65 1.76 -0.71 -0.44 -1.72 0.00 0.00 179.24 178.77 3ek5 s SER 183 N -7.02 0.31 -0.07 6.45 0.01 -1.26 -1.13 113.70 110.99 3ek5 s SER 183 Ca -0.23 -0.36 -0.09 0.00 1.31 0.00 0.00 55.95 56.58 3ek5 s SER 183 Cb 0.06 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.37 3ek5 s SER 183 CO 0.74 -0.19 0.23 -0.76 0.41 0.00 0.00 173.24 173.67 3ek5 s LEU 184 N -1.04 1.13 0.72 2.44 1.43 0.44 -4.92 118.68 118.88 3ek5 s LEU 184 Ca -0.10 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 3ek5 s LEU 184 Cb -0.07 0.84 0.02 0.00 0.03 0.00 0.00 46.19 47.02 3ek5 s LEU 184 CO -0.00 -0.16 1.07 0.42 0.23 0.00 0.00 176.35 177.91 3ek5 s THR 185 N -0.22 3.80 0.27 5.49 -4.23 -1.25 -1.24 115.64 118.26 3ek5 s THR 185 Ca -0.03 0.58 -0.01 0.00 -1.18 0.00 0.00 61.69 61.05 3ek5 s THR 185 Cb -0.03 -3.32 0.25 0.00 1.34 0.00 0.00 72.50 70.75 3ek5 s THR 185 CO 0.01 -0.76 1.82 1.88 -0.54 0.00 0.00 174.62 177.03 3ek5 h TYR 186 N -0.81 1.02 0.00 3.99 -1.99 -1.33 -2.56 116.97 115.28 3ek5 h TYR 186 Ca -0.44 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.22 3ek5 h TYR 186 Cb 1.22 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 3ek5 h TYR 186 CO 0.58 0.41 -0.47 -0.44 -0.00 0.00 0.00 178.16 178.24 3ek5 h ASP 187 N 0.91 0.00 -0.38 3.88 3.32 -1.91 -3.00 116.42 119.23 3ek5 h ASP 187 Ca 0.45 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.36 3ek5 h ASP 187 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3ek5 h ASP 187 CO -0.26 0.47 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.08 3ek5 h GLU 188 N 0.00 0.92 0.59 3.56 5.08 -1.83 0.01 114.58 122.92 3ek5 h GLU 188 Ca -0.00 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 3ek5 h GLU 188 Cb 0.85 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.10 3ek5 h GLU 188 CO 0.06 1.11 -0.28 0.28 -1.00 0.00 0.00 179.01 179.17 3ek5 h VAL 189 N 0.77 0.41 -0.91 3.13 2.07 -1.43 0.23 116.25 120.52 3ek5 h VAL 189 Ca 0.08 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3ek5 h VAL 189 Cb 0.90 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 3ek5 h VAL 189 CO 0.08 0.01 0.57 0.40 0.02 0.00 0.00 177.57 178.65 3ek5 h ILE 190 N -0.83 1.02 -0.43 4.57 2.04 -1.49 -1.17 117.51 121.22 3ek5 h ILE 190 Ca -0.08 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3ek5 h ILE 190 Cb 0.62 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3ek5 h ILE 190 CO 0.13 0.18 0.19 -0.03 0.00 0.00 0.00 178.15 178.62 3ek5 h MET 191 N 1.01 0.63 -0.00 2.37 1.85 -0.65 -1.91 114.93 118.22 3ek5 h MET 191 Ca 0.41 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 3ek5 h MET 191 Cb 0.23 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.15 3ek5 h MET 191 CO -0.19 0.56 0.00 1.04 -0.40 0.00 0.00 176.91 177.92 3ek5 n GLN 192 N -4.64 1.00 -2.04 0.39 6.02 0.77 -4.86 117.38 114.02 3ek5 n GLN 192 Ca 0.00 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 3ek5 n GLN 192 Cb 0.13 -1.11 -0.04 0.00 1.02 0.00 0.00 30.24 30.24 3ek5 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ek5 n GLY 193 N 0.62 0.38 3.78 1.08 0.00 -0.72 -4.97 105.19 105.36 3ek5 n GLY 193 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3ek5 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek5 s LEU 194 N -5.21 4.11 -0.83 0.99 1.43 -0.51 -5.01 118.68 113.65 3ek5 s LEU 194 Ca 0.00 2.04 -0.04 0.00 -1.03 0.00 0.00 54.13 55.10 3ek5 s LEU 194 Cb 0.00 -4.22 0.21 0.00 0.03 0.00 0.00 46.19 42.21 3ek5 s LEU 194 CO 0.00 -0.54 0.72 -1.61 0.23 0.00 0.00 176.35 175.15 3ek5 s GLU 195 N -2.56 3.22 -0.19 1.70 0.41 -1.26 -4.64 118.70 115.37 3ek5 s GLU 195 Ca 0.59 -2.97 -0.17 0.00 -0.41 0.00 0.00 54.97 52.01 3ek5 s GLU 195 Cb -0.22 -4.01 -0.13 0.00 -1.78 0.00 0.00 34.13 27.99 3ek5 s GLU 195 CO 0.27 -1.24 0.03 0.28 -0.49 0.00 0.00 175.26 174.11 3ek5 n VAL 196 N 2.87 1.49 -4.30 2.63 0.31 -1.26 -5.02 118.33 115.06 3ek5 n VAL 196 Ca 0.17 0.05 -0.16 0.00 -0.01 0.00 0.00 64.34 64.38 3ek5 n VAL 196 Cb 0.39 -2.17 -0.10 0.00 -0.91 0.00 0.00 33.84 31.05 3ek5 n VAL 196 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3ek5 s MET 197 N -2.34 1.45 0.47 5.55 -1.94 -1.26 -5.12 119.30 116.11 3ek5 s MET 197 Ca -0.24 -1.80 -0.22 0.00 -1.71 0.00 0.00 55.69 51.72 3ek5 s MET 197 Cb 0.05 -0.06 -0.08 0.00 2.01 0.00 0.00 34.83 36.75 3ek5 s MET 197 CO 0.45 -0.39 1.10 0.16 -0.01 0.00 0.00 175.02 176.32 3ek5 s ASP 198 N -3.31 6.22 0.19 3.03 1.47 -1.26 -4.76 116.67 118.25 3ek5 s ASP 198 Ca 0.37 2.12 -0.16 0.00 1.18 0.00 0.00 52.55 56.07 3ek5 s ASP 198 Cb 0.06 -2.58 0.17 0.00 -0.34 0.00 0.00 42.92 40.23 3ek5 s ASP 198 CO 0.15 -0.87 1.29 0.41 0.68 0.00 0.00 175.17 176.84 3ek5 n THR 199 N -0.72 -0.46 0.01 2.11 -1.04 -1.26 -1.28 114.28 111.65 3ek5 n THR 199 Ca 0.08 1.96 -0.12 0.00 -2.04 0.00 0.00 64.05 63.94 3ek5 n THR 199 Cb 0.50 -2.57 -0.07 0.00 -1.82 0.00 0.00 70.33 66.37 3ek5 n THR 199 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ek5 h ALA 200 N 1.07 0.05 -0.88 2.41 0.00 -1.99 -1.29 119.26 118.62 3ek5 h ALA 200 Ca 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ek5 h ALA 200 Cb 0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3ek5 h ALA 200 CO -0.82 -0.39 0.54 0.00 0.00 0.00 0.00 179.25 178.58 3ek5 h ALA 201 N 0.90 1.13 -0.75 0.00 0.00 -1.77 -1.70 119.26 117.05 3ek5 h ALA 201 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ek5 h ALA 201 Cb 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3ek5 h ALA 201 CO -0.00 0.57 0.42 0.35 0.00 0.00 0.00 179.25 180.59 3ek5 h PHE 202 N 1.21 1.03 -0.16 0.00 3.57 -0.99 -1.92 116.94 119.69 3ek5 h PHE 202 Ca 0.32 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 3ek5 h PHE 202 Cb -0.07 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.33 3ek5 h PHE 202 CO -0.00 0.72 -0.23 0.00 -2.23 0.00 0.00 178.31 176.57 3ek5 h ALA 203 N 1.22 1.33 -0.38 2.41 0.00 -0.78 -1.81 119.26 121.23 3ek5 h ALA 203 Ca 0.27 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3ek5 h ALA 203 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ek5 h ALA 203 CO -0.04 0.46 -0.25 1.25 0.00 0.00 0.00 179.25 180.66 3ek5 h LEU 204 N 0.25 0.89 0.19 0.00 6.46 -0.73 -0.27 115.31 122.10 3ek5 h LEU 204 Ca 0.04 -0.43 -0.00 0.00 -0.12 0.00 0.00 57.88 57.37 3ek5 h LEU 204 Cb 0.55 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 3ek5 h LEU 204 CO 0.04 1.13 -0.12 0.00 -0.62 0.00 0.00 178.44 178.86 3ek5 h ALA 205 N 0.79 -0.30 0.02 1.25 0.00 -1.18 -2.07 119.26 117.77 3ek5 h ALA 205 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ek5 h ALA 205 Cb 0.83 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3ek5 h ALA 205 CO 0.07 -0.68 -0.13 -0.09 0.00 0.00 0.00 179.25 178.43 3ek5 h ARG 206 N -0.31 -0.22 0.00 0.00 2.43 -1.27 -1.94 114.38 113.08 3ek5 h ARG 206 Ca -0.02 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3ek5 h ARG 206 Cb 0.26 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3ek5 h ARG 206 CO 0.01 -0.14 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.68 3ek5 h ASP 207 N -0.22 0.00 0.27 -3.80 3.32 -0.97 -2.45 116.42 112.57 3ek5 h ASP 207 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ek5 h ASP 207 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3ek5 h ASP 207 CO -0.11 0.21 -0.36 -1.20 -1.72 0.00 0.00 179.24 176.06 3ek5 n SER 208 N -3.61 0.97 -1.41 6.45 7.64 -0.78 -4.97 113.62 117.91 3ek5 n SER 208 Ca -0.01 -0.79 -0.04 0.00 1.01 0.00 0.00 58.87 59.04 3ek5 n SER 208 Cb 0.34 0.22 0.02 0.00 -1.01 0.00 0.00 64.21 63.79 3ek5 n SER 208 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3ek5 n ASP 209 N -0.84 -2.39 -4.47 6.43 4.64 -0.79 -5.00 116.55 114.13 3ek5 n ASP 209 Ca 0.10 -0.13 -0.38 0.00 -1.38 0.00 0.00 54.79 52.99 3ek5 n ASP 209 Cb 0.35 -1.53 -0.12 0.00 -1.04 0.00 0.00 41.12 38.79 3ek5 n ASP 209 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3ek5 s LEU 210 N -2.76 4.04 0.39 -2.67 2.96 -0.86 -5.04 118.68 114.74 3ek5 s LEU 210 Ca 0.05 -0.40 -0.27 0.00 -0.22 0.00 0.00 54.13 53.30 3ek5 s LEU 210 Cb -0.02 -2.02 -0.09 0.00 0.50 0.00 0.00 46.19 44.55 3ek5 s LEU 210 CO 0.16 -0.16 1.31 -2.84 -1.32 0.00 0.00 176.35 173.51 3ek5 s PRO 211 N 1.65 4.06 -0.08 0.98 0.02 -1.26 -4.73 135.00 135.63 3ek5 s PRO 211 Ca 0.05 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.26 3ek5 s PRO 211 Cb -0.17 -2.84 0.03 0.00 0.02 0.00 0.00 34.50 31.54 3ek5 s PRO 211 CO 0.07 -0.43 -0.03 -1.17 -0.33 0.00 0.00 177.00 175.11 3ek5 s LEU 212 N -2.27 0.91 -0.28 -5.54 2.96 -0.35 -1.43 118.68 112.67 3ek5 s LEU 212 Ca 0.55 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 3ek5 s LEU 212 Cb -0.39 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 45.72 3ek5 s LEU 212 CO 0.51 -0.15 0.02 -0.60 -1.32 0.00 0.00 176.35 174.81 3ek5 s ARG 213 N 1.74 2.91 -0.28 1.98 3.52 -0.02 0.45 118.95 129.25 3ek5 s ARG 213 Ca 0.03 -0.96 -0.15 0.00 -0.13 0.00 0.00 55.73 54.52 3ek5 s ARG 213 Cb -0.13 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3ek5 s ARG 213 CO -0.06 -0.46 0.37 0.42 -0.81 0.00 0.00 175.30 174.76 3ek5 s ILE 214 N 1.41 5.17 0.21 4.11 1.09 -0.04 -1.57 121.20 131.59 3ek5 s ILE 214 Ca 0.01 0.45 -0.11 0.00 -1.10 0.00 0.00 60.65 59.90 3ek5 s ILE 214 Cb -0.17 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.50 3ek5 s ILE 214 CO -0.00 0.11 0.39 0.72 -0.10 0.00 0.00 174.94 176.06 3ek5 s PHE 215 N 2.06 0.39 -0.10 3.97 -0.12 -1.08 -0.95 117.98 122.15 3ek5 s PHE 215 Ca 0.14 -0.74 -0.03 0.00 -0.05 0.00 0.00 56.93 56.25 3ek5 s PHE 215 Cb -0.16 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 3ek5 s PHE 215 CO 0.10 -0.87 0.04 0.20 -0.05 0.00 0.00 175.22 174.64 3ek5 s GLY 216 N -3.00 1.93 -1.35 1.99 0.00 -1.25 0.38 107.32 106.01 3ek5 s GLY 216 Ca 0.21 -0.76 -0.14 0.00 0.00 0.00 0.00 44.72 44.03 3ek5 s GLY 216 CO 0.05 -0.48 1.95 1.03 0.00 0.00 0.00 173.10 175.65 3ek5 n MET 217 N 2.20 3.18 0.18 2.90 2.81 -1.26 -4.75 117.12 122.39 3ek5 n MET 217 Ca -0.19 -3.12 0.14 0.00 -1.81 0.00 0.00 57.70 52.72 3ek5 n MET 217 Cb 0.54 -3.22 0.44 0.00 -0.71 0.00 0.00 33.22 30.28 3ek5 n MET 217 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3ek5 h SER 218 N 6.40 0.00 -4.33 7.83 4.64 -1.95 -3.47 113.55 122.68 3ek5 h SER 218 Ca 0.47 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.97 3ek5 h SER 218 Cb 0.71 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.62 3ek5 h SER 218 CO 1.66 0.00 0.66 -1.83 -0.87 0.00 0.00 176.83 176.45 3ek5 s GLU 219 N -3.32 0.53 0.44 4.77 -1.05 -1.26 -5.13 118.70 113.67 3ek5 s GLU 219 Ca 0.06 -0.15 -0.25 0.00 -0.15 0.00 0.00 54.97 54.48 3ek5 s GLU 219 Cb 0.09 0.25 -0.09 0.00 -0.44 0.00 0.00 34.13 33.94 3ek5 s GLU 219 CO 0.55 -0.22 1.32 -0.35 0.95 0.00 0.00 175.26 177.51 3ek5 n PRO 220 N -0.01 2.01 -0.41 -4.83 -0.04 -1.26 -2.93 135.00 127.52 3ek5 n PRO 220 Ca -0.05 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3ek5 n PRO 220 Cb 0.60 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 3ek5 n PRO 220 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ek5 n GLY 221 N 0.74 1.16 0.05 0.55 0.00 -1.26 -4.94 105.19 101.50 3ek5 n GLY 221 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3ek5 n GLY 221 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ek5 h VAL 222 N 0.00 1.00 -0.14 1.61 2.07 -1.95 -2.03 116.25 116.81 3ek5 h VAL 222 Ca 0.00 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3ek5 h VAL 222 Cb 0.00 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3ek5 h VAL 222 CO 0.00 0.01 -0.09 0.25 0.02 0.00 0.00 177.57 177.75 3ek5 h LEU 223 N 0.04 -0.30 -0.98 2.57 5.85 -1.92 -1.74 115.31 118.84 3ek5 h LEU 223 Ca 0.01 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3ek5 h LEU 223 Cb -0.00 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 3ek5 h LEU 223 CO -0.01 -0.13 0.62 0.25 -0.34 0.00 0.00 178.44 178.84 3ek5 h LEU 224 N -0.09 0.96 0.23 2.25 5.85 -1.86 -1.08 115.31 121.56 3ek5 h LEU 224 Ca 0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ek5 h LEU 224 Cb 0.22 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3ek5 h LEU 224 CO -0.20 0.58 -0.11 0.03 -0.34 0.00 0.00 178.44 178.40 3ek5 h ARG 225 N 1.08 -0.30 -0.93 1.25 3.08 -0.85 -1.63 114.38 116.09 3ek5 h ARG 225 Ca 0.44 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.67 3ek5 h ARG 225 Cb 0.27 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.31 3ek5 h ARG 225 CO -0.20 -0.06 0.59 0.82 -1.07 0.00 0.00 179.97 180.05 3ek5 h ILE 226 N -0.50 0.81 -0.13 2.04 2.04 -1.16 0.86 117.51 121.48 3ek5 h ILE 226 Ca -0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3ek5 h ILE 226 Cb 0.37 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3ek5 h ILE 226 CO 0.05 0.13 0.04 0.25 0.00 0.00 0.00 178.15 178.62 3ek5 h LEU 227 N 0.72 0.15 -1.38 1.44 5.85 -0.57 -1.39 115.31 120.13 3ek5 h LEU 227 Ca 0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.19 3ek5 h LEU 227 Cb 0.77 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3ek5 h LEU 227 CO -0.24 0.16 0.00 1.41 -0.34 0.00 0.00 178.44 179.43 3ek5 n HIS 228 N -4.47 0.53 0.00 1.25 8.25 0.30 -1.81 115.22 119.27 3ek5 n HIS 228 Ca -0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 3ek5 n HIS 228 Cb 0.12 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3ek5 n HIS 228 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ek5 n GLY 229 N 0.95 0.26 3.68 -1.41 0.00 -0.52 -4.70 105.19 103.44 3ek5 n GLY 229 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3ek5 n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek5 n ALA 230 N -2.00 1.01 -3.16 4.61 0.00 -0.95 -4.90 120.51 115.12 3ek5 n ALA 230 Ca 0.00 0.34 -0.44 0.00 0.00 0.00 0.00 53.44 53.33 3ek5 n ALA 230 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 3ek5 n ALA 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ek5 n GLN 231 N 0.45 3.56 -4.11 0.00 1.13 -1.26 -4.46 117.38 112.70 3ek5 n GLN 231 Ca 0.06 -4.25 -0.35 0.00 -1.94 0.00 0.00 57.00 50.53 3ek5 n GLN 231 Cb 0.36 -2.71 -0.12 0.00 0.11 0.00 0.00 30.24 27.88 3ek5 n GLN 231 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ek5 s ILE 232 N -0.46 3.97 0.00 5.09 1.01 -1.26 -4.96 121.20 124.58 3ek5 s ILE 232 Ca 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3ek5 s ILE 232 Cb -0.06 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.62 3ek5 s ILE 232 CO -0.04 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3ek5 n GLY 233 N 4.15 0.14 3.32 6.18 0.00 -1.26 -4.73 105.19 112.98 3ek5 n GLY 233 Ca -0.17 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 3ek5 n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek5 s THR 234 N 0.00 2.13 -0.28 2.61 2.01 -0.13 -4.60 115.64 117.38 3ek5 s THR 234 Ca 0.00 -1.07 -0.07 0.00 0.31 0.00 0.00 61.69 60.85 3ek5 s THR 234 Cb 0.00 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 3ek5 s THR 234 CO 0.00 0.58 0.09 -0.22 -0.69 0.00 0.00 174.62 174.38 3ek5 s LEU 235 N -0.56 3.74 -0.40 4.42 0.20 -0.28 -0.86 118.68 124.94 3ek5 s LEU 235 Ca 0.08 -0.50 -0.16 0.00 0.69 0.00 0.00 54.13 54.25 3ek5 s LEU 235 Cb -0.11 -1.92 0.01 0.00 -0.43 0.00 0.00 46.19 43.75 3ek5 s LEU 235 CO -0.00 -0.14 0.35 -0.69 -0.29 0.00 0.00 176.35 175.58 3ek5 s VAL 236 N 1.56 5.20 -0.03 1.68 1.01 0.17 -0.42 120.40 129.58 3ek5 s VAL 236 Ca 0.04 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 3ek5 s VAL 236 Cb -0.16 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3ek5 s VAL 236 CO 0.03 -0.30 0.34 -1.58 0.00 0.00 0.00 175.10 173.60 3ek5 s GLN 237 N 1.87 0.68 0.15 2.72 0.74 -0.37 -1.21 119.66 124.24 3ek5 s GLN 237 Ca 0.08 -0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.39 3ek5 s GLN 237 Cb -0.18 0.31 0.00 0.00 1.10 0.00 0.00 33.01 34.24 3ek5 s GLN 237 CO 0.11 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 3ek5 n GLY 238 N 1.36 -1.76 3.73 2.59 0.00 -1.26 -3.90 105.19 105.95 3ek5 n GLY 238 Ca -0.21 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3ek5 n GLY 238 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ek5 s ARG 239 N -1.83 2.14 0.00 1.61 1.70 -1.26 -1.27 118.95 120.04 3ek5 s ARG 239 Ca 0.00 -2.31 0.24 0.00 -0.47 0.00 0.00 55.73 53.19 3ek5 s ARG 239 Cb 0.00 -1.59 0.26 0.00 -0.57 0.00 0.00 34.95 33.06 3ek5 s ARG 239 CO 0.00 -0.29 1.30 0.43 -1.08 0.00 0.00 175.30 175.66