#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek9 n ASP 22 N 0.00 0.75 -4.69 4.04 5.75 -1.25 -4.89 116.55 116.26 3ek9 n ASP 22 Ca 0.00 -0.43 -0.30 0.00 -0.01 0.00 0.00 54.79 54.06 3ek9 n ASP 22 Cb 0.00 1.47 -0.08 0.00 -1.03 0.00 0.00 41.12 41.48 3ek9 n ASP 22 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3ek9 s PHE 23 N -3.06 2.99 -0.26 2.11 0.40 -0.96 -5.06 117.98 114.14 3ek9 s PHE 23 Ca -0.01 -0.03 -0.29 0.00 -0.60 0.00 0.00 56.93 56.00 3ek9 s PHE 23 Cb 0.13 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 42.13 3ek9 s PHE 23 CO 0.78 0.48 1.25 -1.12 0.70 0.00 0.00 175.22 177.30 3ek9 s SER 24 N -2.39 6.80 0.60 1.36 0.01 -1.26 -4.58 113.70 114.24 3ek9 s SER 24 Ca 0.26 1.32 -0.15 0.00 1.31 0.00 0.00 55.95 58.69 3ek9 s SER 24 Cb -0.11 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 3ek9 s SER 24 CO 0.19 -0.95 1.04 -2.16 0.41 0.00 0.00 173.24 171.77 3ek9 s PRO 25 N 3.87 3.39 0.64 12.44 0.04 -1.26 -4.93 135.00 149.19 3ek9 s PRO 25 Ca 0.54 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 3ek9 s PRO 25 Cb -0.17 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 3ek9 s PRO 25 CO 0.19 -0.74 0.99 -2.30 0.04 0.00 0.00 177.00 175.18 3ek9 n PRO 26 N -2.15 0.80 -1.70 0.56 -0.02 -1.26 -4.83 135.00 126.40 3ek9 n PRO 26 Ca 0.08 0.32 -0.44 0.00 -2.02 0.00 0.00 63.50 61.44 3ek9 n PRO 26 Cb 0.53 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 3ek9 n PRO 26 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ek9 n GLU 27 N -1.36 2.51 -0.62 -0.52 -0.58 -1.26 -2.04 120.64 116.77 3ek9 n GLU 27 Ca 0.14 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 3ek9 n GLU 27 Cb 0.48 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.63 3ek9 n GLU 27 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ek9 n GLY 28 N 3.72 0.78 0.08 0.62 0.00 -1.26 -4.95 105.19 104.18 3ek9 n GLY 28 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3ek9 n GLY 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ek9 h LEU 29 N 0.00 0.14 -1.40 0.99 5.85 -1.74 -2.24 115.31 116.91 3ek9 h LEU 29 Ca 0.00 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.43 3ek9 h LEU 29 Cb 0.00 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3ek9 h LEU 29 CO 0.00 0.47 0.47 -0.33 -0.34 0.00 0.00 178.44 178.72 3ek9 h GLU 30 N -0.19 0.69 0.18 1.25 3.07 -1.93 -1.62 114.58 116.03 3ek9 h GLU 30 Ca 0.02 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3ek9 h GLU 30 Cb 0.41 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3ek9 h GLU 30 CO 0.01 0.45 -0.09 0.93 -1.40 0.00 0.00 179.01 178.91 3ek9 h GLU 31 N 0.71 -0.24 0.00 2.33 4.39 -1.95 -2.00 114.58 117.82 3ek9 h GLU 31 Ca 0.32 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 3ek9 h GLU 31 Cb 0.32 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3ek9 h GLU 31 CO -0.11 0.16 -0.00 1.37 -1.16 0.00 0.00 179.01 179.27 3ek9 h LEU 32 N -0.74 0.00 0.00 1.33 8.10 -1.07 -1.26 115.31 121.67 3ek9 h LEU 32 Ca -0.03 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.90 3ek9 h LEU 32 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 3ek9 h LEU 32 CO 0.04 0.00 -0.51 -0.07 -4.11 0.00 0.00 178.44 173.79 3ek9 h LEU 33 N 0.00 0.00 0.17 0.17 3.38 -1.28 -3.31 115.31 114.44 3ek9 h LEU 33 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3ek9 h LEU 33 Cb 0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3ek9 h LEU 33 CO 0.00 0.27 -1.40 0.28 0.09 0.00 0.00 178.44 177.68 3ek9 h SER 34 N 0.00 0.58 -2.93 -0.43 0.02 -0.55 -3.47 113.55 106.76 3ek9 h SER 34 Ca -0.02 -0.91 -0.55 0.00 -0.84 0.00 0.00 61.79 59.46 3ek9 h SER 34 Cb 1.23 -0.19 0.20 0.00 0.14 0.00 0.00 62.40 63.78 3ek9 h SER 34 CO 0.03 1.64 -0.79 0.00 -1.14 0.00 0.00 176.83 176.58 3ek9 n ALA 35 N -2.82 -2.69 -1.62 3.77 0.00 -0.56 -4.81 120.51 111.78 3ek9 n ALA 35 Ca -0.21 -0.41 -0.49 0.00 0.00 0.00 0.00 53.44 52.33 3ek9 n ALA 35 Cb 0.98 -1.66 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 3ek9 n ALA 35 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ek9 n PRO 36 N -0.19 1.49 -1.84 0.00 -0.02 -1.26 -4.91 135.00 128.28 3ek9 n PRO 36 Ca 0.07 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 3ek9 n PRO 36 Cb 0.52 -2.20 0.04 0.00 -0.02 0.00 0.00 33.50 31.85 3ek9 n PRO 36 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ek9 s PRO 37 N 0.41 2.82 0.55 0.52 0.04 -1.26 -4.97 135.00 133.11 3ek9 s PRO 37 Ca 0.80 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 63.18 3ek9 s PRO 37 Cb -0.84 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 3ek9 s PRO 37 CO 0.45 -1.26 1.05 -2.30 0.04 0.00 0.00 177.00 174.98 3ek9 n PRO 38 N -2.14 1.15 -1.68 0.56 -0.02 -1.26 -4.97 135.00 126.64 3ek9 n PRO 38 Ca 0.11 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 3ek9 n PRO 38 Cb 0.51 -2.22 0.15 0.00 -0.02 0.00 0.00 33.50 31.93 3ek9 n PRO 38 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3ek9 s ASP 39 N -1.06 3.35 0.31 2.55 3.84 -1.26 -4.74 116.67 119.66 3ek9 s ASP 39 Ca 0.72 0.70 0.07 0.00 -0.00 0.00 0.00 52.55 54.03 3ek9 s ASP 39 Cb -0.45 -1.07 0.76 0.00 -1.38 0.00 0.00 42.92 40.78 3ek9 s ASP 39 CO 0.50 -2.62 1.79 0.25 -0.00 0.00 0.00 175.17 175.08 3ek9 h LEU 40 N -1.55 0.77 -0.28 2.11 5.85 -2.00 -1.94 115.31 118.26 3ek9 h LEU 40 Ca -0.47 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 3ek9 h LEU 40 Cb 1.30 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3ek9 h LEU 40 CO 0.53 0.28 -0.02 0.58 -0.34 0.00 0.00 178.44 179.48 3ek9 h VAL 41 N 0.75 1.26 -0.88 1.05 2.07 -1.99 -2.16 116.25 116.35 3ek9 h VAL 41 Ca 0.57 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 67.13 3ek9 h VAL 41 Cb 0.90 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3ek9 h VAL 41 CO -0.36 0.31 0.58 0.00 0.02 0.00 0.00 177.57 178.13 3ek9 h ALA 42 N 0.81 1.13 -0.30 1.67 0.00 -1.73 0.18 119.26 121.03 3ek9 h ALA 42 Ca 0.08 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3ek9 h ALA 42 Cb 0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ek9 h ALA 42 CO 0.02 0.50 -0.40 1.96 0.00 0.00 0.00 179.25 181.33 3ek9 h GLN 43 N 1.18 0.71 -0.37 0.00 4.20 -1.27 -1.52 115.11 118.03 3ek9 h GLN 43 Ca 0.33 -0.37 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3ek9 h GLN 43 Cb -0.10 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3ek9 h GLN 43 CO -0.08 0.98 -0.17 0.00 -0.67 0.00 0.00 178.83 178.89 3ek9 h ARG 44 N 0.58 0.77 -0.55 1.46 3.08 -1.20 -1.20 114.38 117.33 3ek9 h ARG 44 Ca 0.05 -0.33 0.09 0.00 0.07 0.00 0.00 59.98 59.86 3ek9 h ARG 44 Cb 0.94 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3ek9 h ARG 44 CO 0.09 0.95 0.37 1.25 -1.07 0.00 0.00 179.97 181.56 3ek9 h HIS 45 N 0.57 0.37 -0.52 3.04 2.76 -0.39 -1.05 115.15 119.93 3ek9 h HIS 45 Ca 0.08 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3ek9 h HIS 45 Cb 0.71 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.55 3ek9 h HIS 45 CO 0.06 0.18 0.00 0.72 -1.30 0.00 0.00 177.93 177.59 3ek9 n HIS 46 N -4.47 0.69 0.00 5.26 8.25 -0.59 -4.50 115.22 119.86 3ek9 n HIS 46 Ca 0.09 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 3ek9 n HIS 46 Cb 0.36 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3ek9 n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ek9 n GLY 47 N 1.33 -1.07 3.77 -1.41 0.00 -0.40 -4.29 105.19 103.13 3ek9 n GLY 47 Ca 0.20 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 3ek9 n GLY 47 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ek9 s TRP 48 N 0.00 3.13 -0.30 1.61 0.23 0.35 -0.41 118.94 123.54 3ek9 s TRP 48 Ca 0.00 1.56 -0.14 0.00 -2.03 0.00 0.00 56.10 55.49 3ek9 s TRP 48 Cb 0.00 -3.41 -0.03 0.00 0.03 0.00 0.00 33.47 30.06 3ek9 s TRP 48 CO 0.00 -1.27 0.30 1.21 0.96 0.00 0.00 176.95 178.15 3ek9 s ASN 49 N -1.04 6.14 0.00 2.95 3.84 -0.36 -4.51 114.94 121.96 3ek9 s ASN 49 Ca 0.55 -0.04 0.15 0.00 0.21 0.00 0.00 52.86 53.72 3ek9 s ASN 49 Cb -0.32 -2.17 0.81 0.00 -0.55 0.00 0.00 41.25 39.02 3ek9 s ASN 49 CO 0.40 -0.20 1.38 -0.81 -2.79 0.00 0.00 177.10 175.08 3ek9 n PRO 50 N 5.24 0.31 0.00 0.43 -0.04 -1.26 -1.88 135.00 137.81 3ek9 n PRO 50 Ca -0.11 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 3ek9 n PRO 50 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3ek9 n PRO 50 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ek9 n LYS 51 N -1.18 0.34 -3.26 0.54 5.02 -1.26 -4.64 118.16 113.73 3ek9 n LYS 51 Ca 0.09 -0.74 -0.25 0.00 -2.02 0.00 0.00 58.31 55.39 3ek9 n LYS 51 Cb 0.09 -0.92 -0.07 0.00 -0.02 0.00 0.00 35.03 34.12 3ek9 n LYS 51 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3ek9 n ASP 52 N -0.15 2.29 -3.48 4.39 2.03 -0.78 -5.08 116.55 115.77 3ek9 n ASP 52 Ca 0.00 -3.17 -0.10 0.00 0.52 0.00 0.00 54.79 52.04 3ek9 n ASP 52 Cb 0.13 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.87 3ek9 n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ek9 n SER 54 N -0.32 1.59 0.00 0.00 2.88 -0.49 -4.81 113.62 112.46 3ek9 n SER 54 Ca -0.13 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 3ek9 n SER 54 Cb 0.63 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 3ek9 n SER 54 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3ek9 n GLU 55 N 1.18 0.00 0.00 -1.46 0.28 -1.26 -1.68 120.64 117.70 3ek9 n GLU 55 Ca 0.11 0.33 0.12 0.00 -0.16 0.00 0.00 57.16 57.55 3ek9 n GLU 55 Cb 0.30 -1.67 0.09 0.00 1.43 0.00 0.00 31.44 31.59 3ek9 n GLU 55 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3ek9 n ASN 56 N -1.33 2.15 -4.66 -1.84 3.02 -1.26 -4.89 115.26 106.46 3ek9 n ASN 56 Ca 0.00 -1.58 -0.34 0.00 -0.03 0.00 0.00 54.58 52.64 3ek9 n ASN 56 Cb 0.17 0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 39.54 3ek9 n ASN 56 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ek9 s ILE 57 N -2.33 4.12 -0.15 2.41 1.01 -0.68 -1.39 121.20 124.19 3ek9 s ILE 57 Ca 0.23 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3ek9 s ILE 57 Cb 0.19 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 3ek9 s ILE 57 CO 0.48 0.52 -0.16 -1.81 0.00 0.00 0.00 174.94 173.97 3ek9 s ASP 58 N -1.13 3.60 -0.03 3.58 1.01 0.23 -4.84 116.67 119.11 3ek9 s ASP 58 Ca 0.15 -0.48 -0.25 0.00 0.71 0.00 0.00 52.55 52.69 3ek9 s ASP 58 Cb -0.11 -1.55 -0.04 0.00 1.01 0.00 0.00 42.92 42.23 3ek9 s ASP 58 CO 0.05 0.09 0.76 -0.69 0.21 0.00 0.00 175.17 175.59 3ek9 s VAL 59 N 0.80 4.95 0.50 -1.27 1.01 -1.26 -0.40 120.40 124.72 3ek9 s VAL 59 Ca -0.06 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.52 3ek9 s VAL 59 Cb -0.15 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 3ek9 s VAL 59 CO -0.00 0.27 0.04 -0.54 0.00 0.00 0.00 175.10 174.87 3ek9 s LYS 60 N 0.62 2.18 -1.40 2.72 -0.14 0.20 -4.83 119.74 119.09 3ek9 s LYS 60 Ca 0.40 -2.40 -0.01 0.00 -1.36 0.00 0.00 55.97 52.59 3ek9 s LYS 60 Cb -0.19 -1.26 0.01 0.00 -1.68 0.00 0.00 37.83 34.72 3ek9 s LYS 60 CO 0.21 -0.45 0.53 0.39 -0.76 0.00 0.00 175.35 175.26 3ek9 n GLU 61 N -1.23 -3.79 -2.05 1.68 1.02 -1.26 -1.28 120.64 113.73 3ek9 n GLU 61 Ca -0.18 0.47 -0.10 0.00 -0.02 0.00 0.00 57.16 57.33 3ek9 n GLU 61 Cb 0.66 -4.76 -0.02 0.00 -0.02 0.00 0.00 31.44 27.31 3ek9 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ek9 n GLY 62 N -1.84 -0.01 0.00 0.62 0.00 -1.26 -1.41 105.19 101.29 3ek9 n GLY 62 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3ek9 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek9 n GLY 63 N -0.54 0.86 0.05 -0.02 0.00 -0.40 -4.60 105.19 100.54 3ek9 n GLY 63 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 3ek9 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ek9 n LEU 64 N 0.00 0.51 -3.75 0.99 4.77 -0.50 0.13 117.00 119.15 3ek9 n LEU 64 Ca 0.00 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 3ek9 n LEU 64 Cb 0.00 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.68 3ek9 n LEU 64 CO 0.00 -0.05 0.03 0.00 -1.33 0.00 0.00 177.39 176.04 3ek9 s PHE 66 N -1.29 0.46 -0.03 0.00 -0.12 -0.81 0.63 117.98 116.81 3ek9 s PHE 66 Ca -0.13 -0.34 0.06 0.00 -0.05 0.00 0.00 56.93 56.47 3ek9 s PHE 66 Cb -0.05 -0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 42.04 3ek9 s PHE 66 CO 0.04 -0.08 -0.22 -1.21 -0.05 0.00 0.00 175.22 173.71 3ek9 s GLU 67 N -0.99 1.96 -0.19 1.99 2.02 0.47 -2.10 118.70 121.86 3ek9 s GLU 67 Ca -0.07 -0.78 -0.11 0.00 0.02 0.00 0.00 54.97 54.03 3ek9 s GLU 67 Cb -0.07 -1.80 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 3ek9 s GLU 67 CO -0.00 0.41 0.19 0.50 0.02 0.00 0.00 175.26 176.38 3ek9 s ARG 68 N -0.33 4.21 1.05 1.61 3.52 -1.24 0.78 118.95 128.54 3ek9 s ARG 68 Ca 0.03 -0.11 -0.16 0.00 -0.13 0.00 0.00 55.73 55.36 3ek9 s ARG 68 Cb -0.10 -3.43 0.22 0.00 -1.56 0.00 0.00 34.95 30.07 3ek9 s ARG 68 CO 0.01 0.26 1.16 1.03 -0.81 0.00 0.00 175.30 176.95 3ek9 s ARG 69 N 0.45 0.01 -1.40 5.12 0.52 -0.48 -0.18 118.95 122.99 3ek9 s ARG 69 Ca 0.11 0.01 -0.10 0.00 -0.52 0.00 0.00 55.73 55.24 3ek9 s ARG 69 Cb -0.12 -1.73 0.08 0.00 0.52 0.00 0.00 34.95 33.70 3ek9 s ARG 69 CO 0.00 -2.91 2.29 -2.30 0.02 0.00 0.00 175.30 172.41 3ek9 n PRO 70 N -4.21 3.69 -3.42 3.54 -0.02 -1.26 -4.04 135.00 129.29 3ek9 n PRO 70 Ca 0.11 -3.04 -0.38 0.00 -2.02 0.00 0.00 63.50 58.17 3ek9 n PRO 70 Cb 0.59 -2.92 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 3ek9 n PRO 70 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ek9 s VAL 71 N 1.01 5.23 0.48 -1.45 1.01 -1.26 -5.01 120.40 120.40 3ek9 s VAL 71 Ca 0.51 0.71 -0.17 0.00 0.00 0.00 0.00 61.98 63.02 3ek9 s VAL 71 Cb 0.14 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3ek9 s VAL 71 CO -0.05 0.30 0.95 0.00 0.00 0.00 0.00 175.10 176.30 3ek9 s ALA 72 N 0.94 3.09 -0.79 5.51 0.00 -1.26 -4.36 121.76 124.89 3ek9 s ALA 72 Ca 0.20 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 3ek9 s ALA 72 Cb -0.14 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3ek9 s ALA 72 CO 0.07 -0.10 0.64 0.94 0.00 0.00 0.00 175.76 177.32 3ek9 n GLN 73 N -1.25 -1.45 -3.61 0.00 7.27 -1.26 -4.99 117.38 112.08 3ek9 n GLN 73 Ca 0.06 1.05 -0.11 0.00 0.07 0.00 0.00 57.00 58.08 3ek9 n GLN 73 Cb 0.54 -3.68 -0.06 0.00 2.41 0.00 0.00 30.24 29.45 3ek9 n GLN 73 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3ek9 s SER 74 N -3.00 -0.47 -0.07 1.69 0.15 -1.26 -4.05 113.70 106.69 3ek9 s SER 74 Ca 0.00 0.79 0.02 0.00 0.70 0.00 0.00 55.95 57.46 3ek9 s SER 74 Cb -0.00 0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 65.04 3ek9 s SER 74 CO 0.84 -0.24 -0.13 -0.89 1.20 0.00 0.00 173.24 174.01 3ek9 s THR 75 N -0.21 3.12 -0.01 6.45 2.01 -0.21 -4.73 115.64 122.07 3ek9 s THR 75 Ca 0.01 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.33 3ek9 s THR 75 Cb -0.03 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.23 3ek9 s THR 75 CO -0.02 0.57 -0.03 -1.81 -0.69 0.00 0.00 174.62 172.64 3ek9 s ASP 76 N -0.43 0.36 0.34 3.53 1.01 -0.47 -0.60 116.67 120.41 3ek9 s ASP 76 Ca 0.05 -0.05 0.04 0.00 0.71 0.00 0.00 52.55 53.31 3ek9 s ASP 76 Cb -0.12 -0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.73 3ek9 s ASP 76 CO 0.02 0.02 0.16 0.61 0.21 0.00 0.00 175.17 176.19 3ek9 n GLY 77 N 3.13 3.26 3.47 0.21 0.00 0.26 -0.51 105.19 115.01 3ek9 n GLY 77 Ca -0.14 -2.03 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 3ek9 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek9 s VAL 78 N -2.99 0.01 0.07 1.61 0.11 -1.11 -1.39 120.40 116.71 3ek9 s VAL 78 Ca 0.23 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.24 3ek9 s VAL 78 Cb 0.01 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3ek9 s VAL 78 CO 0.16 -0.04 0.04 -0.13 -3.33 0.00 0.00 175.10 171.80 3ek9 s ARG 79 N -0.49 2.76 0.91 1.54 0.52 -0.77 -2.94 118.95 120.48 3ek9 s ARG 79 Ca -0.06 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.31 3ek9 s ARG 79 Cb -0.03 -2.66 0.14 0.00 0.52 0.00 0.00 34.95 32.92 3ek9 s ARG 79 CO 0.05 0.57 1.10 0.20 0.02 0.00 0.00 175.30 177.23 3ek9 s GLY 80 N -2.25 1.64 0.31 -3.53 0.00 0.60 -1.23 107.32 102.87 3ek9 s GLY 80 Ca 0.27 0.20 0.09 0.00 0.00 0.00 0.00 44.72 45.28 3ek9 s GLY 80 CO 0.19 0.67 1.72 0.50 0.00 0.00 0.00 173.10 176.18 3ek9 h LYS 81 N -1.71 0.14 -5.29 2.90 1.57 -0.92 -3.42 116.57 109.84 3ek9 h LYS 81 Ca -0.48 -0.06 -0.65 0.00 -1.87 0.00 0.00 60.65 57.59 3ek9 h LYS 81 Cb 1.27 -0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.34 3ek9 h LYS 81 CO 0.49 0.55 -0.71 1.03 -0.57 0.00 0.00 179.45 180.23 3ek9 s ARG 82 N -4.08 3.53 -0.18 3.15 3.00 -1.26 -5.04 118.95 118.06 3ek9 s ARG 82 Ca -0.04 -0.60 -0.08 0.00 0.00 0.00 0.00 55.73 55.01 3ek9 s ARG 82 Cb 0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 34.95 32.25 3ek9 s ARG 82 CO 0.76 0.21 0.09 0.20 0.00 0.00 0.00 175.30 176.55 3ek9 s GLY 83 N 0.42 1.98 -0.18 -3.53 0.00 -1.26 -4.41 107.32 100.33 3ek9 s GLY 83 Ca -0.07 -0.72 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 3ek9 s GLY 83 CO 0.04 0.01 0.04 -0.19 0.00 0.00 0.00 173.10 173.00 3ek9 s TYR 84 N 0.16 3.18 0.00 1.90 4.12 0.16 -4.74 117.35 122.13 3ek9 s TYR 84 Ca 0.06 -0.07 0.00 0.00 0.02 0.00 0.00 57.07 57.08 3ek9 s TYR 84 Cb -0.12 -2.07 0.00 0.00 -1.52 0.00 0.00 41.96 38.25 3ek9 s TYR 84 CO -0.00 0.05 0.28 -1.13 0.02 0.00 0.00 175.55 174.77 3ek9 n SER 85 N 3.70 0.57 -3.78 2.29 3.41 -1.26 -1.30 113.62 117.24 3ek9 n SER 85 Ca -0.17 -0.92 -0.09 0.00 -0.26 0.00 0.00 58.87 57.43 3ek9 n SER 85 Cb 0.52 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 3ek9 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ek9 s ARG 86 N -0.08 1.46 0.02 4.33 1.70 -1.26 -4.76 118.95 120.36 3ek9 s ARG 86 Ca 0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 3ek9 s ARG 86 Cb 0.00 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 3ek9 s ARG 86 CO 0.00 -0.63 0.00 0.41 -1.08 0.00 0.00 175.30 174.00 3ek9 n GLY 87 N -0.36 -2.32 3.68 3.88 0.00 -1.26 -4.79 105.19 104.00 3ek9 n GLY 87 Ca -0.08 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 3ek9 n GLY 87 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ek9 s LEU 88 N 0.00 3.74 -0.01 0.99 2.96 -1.26 -0.46 118.68 124.64 3ek9 s LEU 88 Ca 0.00 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3ek9 s LEU 88 Cb 0.00 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.81 3ek9 s LEU 88 CO 0.00 0.29 0.00 -1.00 -1.32 0.00 0.00 176.35 174.33 3ek9 s HIS 89 N -0.36 0.14 -0.02 5.38 3.76 0.16 -4.15 115.29 120.20 3ek9 s HIS 89 Ca 0.08 0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.06 3ek9 s HIS 89 Cb -0.12 -0.21 -0.00 0.00 1.11 0.00 0.00 32.58 33.35 3ek9 s HIS 89 CO 0.02 -0.06 -0.11 0.00 -0.85 0.00 0.00 174.74 173.73 3ek9 s ALA 90 N 0.59 0.99 0.04 -1.40 0.00 -1.18 0.88 121.76 121.67 3ek9 s ALA 90 Ca -0.05 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3ek9 s ALA 90 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3ek9 s ALA 90 CO -0.01 0.21 -0.09 1.67 0.00 0.00 0.00 175.76 177.53 3ek9 s TRP 91 N -0.09 0.78 -0.13 0.00 -2.14 -0.59 -0.64 118.94 116.12 3ek9 s TRP 91 Ca 0.01 -0.41 -0.16 0.00 2.66 0.00 0.00 56.10 58.20 3ek9 s TRP 91 Cb -0.06 -0.47 -0.05 0.00 -3.10 0.00 0.00 33.47 29.79 3ek9 s TRP 91 CO 0.00 -0.04 0.37 -2.00 -2.66 0.00 0.00 176.95 172.63 3ek9 s GLU 92 N -1.32 4.26 -0.13 3.25 2.12 0.18 -0.52 118.70 126.54 3ek9 s GLU 92 Ca -0.06 0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.51 3ek9 s GLU 92 Cb -0.08 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 3ek9 s GLU 92 CO 0.01 0.24 -0.05 0.42 -0.54 0.00 0.00 175.26 175.33 3ek9 s ILE 93 N 0.42 3.79 -0.13 -3.70 -1.09 -0.35 0.05 121.20 120.19 3ek9 s ILE 93 Ca 0.21 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 3ek9 s ILE 93 Cb -0.14 -2.62 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 3ek9 s ILE 93 CO 0.07 0.53 -0.12 -0.94 -1.23 0.00 0.00 174.94 173.25 3ek9 s SER 94 N 0.01 2.47 -0.31 3.58 1.04 -0.25 -0.47 113.70 119.78 3ek9 s SER 94 Ca -0.00 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 3ek9 s SER 94 Cb -0.13 -1.05 0.12 0.00 0.10 0.00 0.00 66.02 65.05 3ek9 s SER 94 CO 0.03 -0.06 0.18 0.86 0.98 0.00 0.00 173.24 175.23 3ek9 s TRP 95 N 1.47 0.26 0.11 5.02 -0.11 0.22 -1.02 118.94 124.89 3ek9 s TRP 95 Ca 0.03 -0.94 -0.35 0.00 1.22 0.00 0.00 56.10 56.06 3ek9 s TRP 95 Cb -0.13 -0.81 -0.15 0.00 -1.50 0.00 0.00 33.47 30.88 3ek9 s TRP 95 CO -0.08 -0.85 1.50 -2.30 -4.62 0.00 0.00 176.95 170.59 3ek9 n PRO 96 N 4.94 1.73 -0.32 5.86 -0.02 -1.26 -4.71 135.00 141.22 3ek9 n PRO 96 Ca -0.01 0.62 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 3ek9 n PRO 96 Cb 0.42 -2.34 0.30 0.00 -0.02 0.00 0.00 33.50 31.85 3ek9 n PRO 96 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ek9 h LEU 97 N 5.54 -0.31 -0.11 2.45 5.85 -1.92 0.16 115.31 126.97 3ek9 h LEU 97 Ca -0.46 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3ek9 h LEU 97 Cb 1.29 0.41 0.00 0.00 0.37 0.00 0.00 40.66 42.73 3ek9 h LEU 97 CO 0.85 -0.30 -0.00 -0.62 -0.34 0.00 0.00 178.44 178.02 3ek9 n GLU 98 N -5.40 1.05 -0.41 1.25 1.02 -1.26 -2.72 120.64 114.15 3ek9 n GLU 98 Ca 0.23 -0.11 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 3ek9 n GLU 98 Cb 0.75 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.92 3ek9 n GLU 98 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3ek9 n GLN 99 N -0.88 3.07 -0.00 3.49 6.02 0.04 -4.71 117.38 124.41 3ek9 n GLN 99 Ca 0.23 -2.67 -0.19 0.00 -0.01 0.00 0.00 57.00 54.35 3ek9 n GLN 99 Cb 0.14 -1.73 -0.14 0.00 1.02 0.00 0.00 30.24 29.53 3ek9 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ek9 h ARG 100 N 2.10 0.19 0.00 -1.09 3.08 -1.55 -3.45 114.38 113.66 3ek9 h ARG 100 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3ek9 h ARG 100 Cb 1.30 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.48 3ek9 h ARG 100 CO 0.19 1.16 0.00 0.41 -1.07 0.00 0.00 179.97 180.65 3ek9 n GLY 101 N 1.66 0.47 0.00 0.04 0.00 -1.26 -3.94 105.19 102.15 3ek9 n GLY 101 Ca -0.18 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 44.85 3ek9 n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ek9 n THR 102 N 0.00 0.00 -3.22 2.61 -2.24 -1.26 -4.81 114.28 105.36 3ek9 n THR 102 Ca 0.00 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 3ek9 n THR 102 Cb 0.00 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 3ek9 n THR 102 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ek9 n HIS 103 N -1.64 0.32 -3.13 4.78 8.25 -1.26 -4.95 115.22 117.58 3ek9 n HIS 103 Ca -0.01 -3.67 -0.44 0.00 -0.26 0.00 0.00 57.72 53.35 3ek9 n HIS 103 Cb 0.20 -0.39 -0.06 0.00 1.12 0.00 0.00 29.99 30.86 3ek9 n HIS 103 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ek9 s ALA 104 N -1.46 3.37 -0.12 -1.41 0.00 -1.25 -3.85 121.76 117.04 3ek9 s ALA 104 Ca 0.36 -1.80 0.02 0.00 0.00 0.00 0.00 51.96 50.54 3ek9 s ALA 104 Cb 0.18 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 3ek9 s ALA 104 CO -0.09 -2.10 -0.18 0.08 0.00 0.00 0.00 175.76 173.47 3ek9 s VAL 105 N 2.73 2.62 -0.09 0.00 1.01 -0.86 -1.65 120.40 124.16 3ek9 s VAL 105 Ca 0.15 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3ek9 s VAL 105 Cb -0.20 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3ek9 s VAL 105 CO 0.11 0.54 -0.19 -0.69 0.00 0.00 0.00 175.10 174.87 3ek9 s VAL 106 N 0.37 1.69 0.00 2.92 1.01 0.70 -1.28 120.40 125.80 3ek9 s VAL 106 Ca -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3ek9 s VAL 106 Cb -0.17 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3ek9 s VAL 106 CO 0.07 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3ek9 n GLY 107 N 3.75 1.18 3.20 4.51 0.00 -0.58 -0.06 105.19 117.19 3ek9 n GLY 107 Ca -0.20 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 3ek9 n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ek9 s VAL 108 N 1.20 0.07 -0.24 1.61 -7.23 -0.75 -1.17 120.40 113.90 3ek9 s VAL 108 Ca 0.00 -1.85 -0.25 0.00 -1.81 0.00 0.00 61.98 58.07 3ek9 s VAL 108 Cb 0.00 -2.15 0.07 0.00 0.56 0.00 0.00 36.38 34.86 3ek9 s VAL 108 CO 0.00 -0.30 0.69 0.00 -0.31 0.00 0.00 175.10 175.17 3ek9 s ALA 109 N -4.07 -1.70 1.17 1.32 0.00 -0.07 -1.28 121.76 117.13 3ek9 s ALA 109 Ca 0.27 1.87 -0.14 0.00 0.00 0.00 0.00 51.96 53.96 3ek9 s ALA 109 Cb 0.07 -1.01 0.28 0.00 0.00 0.00 0.00 23.12 22.46 3ek9 s ALA 109 CO 0.05 -0.33 1.03 0.95 0.00 0.00 0.00 175.76 177.46 3ek9 s THR 110 N 0.19 1.91 -0.63 0.00 -4.23 -0.31 -0.87 115.64 111.70 3ek9 s THR 110 Ca -0.01 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.64 3ek9 s THR 110 Cb -0.04 -2.17 0.14 0.00 1.34 0.00 0.00 72.50 71.77 3ek9 s THR 110 CO 0.02 0.00 1.44 0.00 -0.54 0.00 0.00 174.62 175.53 3ek9 n ALA 111 N -4.87 1.25 1.04 3.99 0.00 -1.26 -3.33 120.51 117.32 3ek9 n ALA 111 Ca 0.04 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.67 3ek9 n ALA 111 Cb 0.56 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.86 3ek9 n ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ek9 n LEU 112 N -1.90 1.97 -4.77 0.00 4.77 -1.26 -4.95 117.00 110.87 3ek9 n LEU 112 Ca 0.00 -0.71 -0.39 0.00 -0.03 0.00 0.00 56.01 54.88 3ek9 n LEU 112 Cb 0.08 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3ek9 n LEU 112 CO 0.09 0.36 0.84 0.00 -1.33 0.00 0.00 177.39 177.36 3ek9 s ALA 113 N -2.43 3.31 0.45 -1.18 0.00 -1.21 -4.99 121.76 115.71 3ek9 s ALA 113 Ca 0.21 0.99 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 3ek9 s ALA 113 Cb 0.18 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 3ek9 s ALA 113 CO 0.54 -0.40 1.12 -1.25 0.00 0.00 0.00 175.76 175.77 3ek9 s PRO 114 N -1.90 3.86 0.00 0.00 0.04 -1.26 -4.98 135.00 130.76 3ek9 s PRO 114 Ca 0.51 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.24 3ek9 s PRO 114 Cb -0.32 -2.40 0.06 0.00 0.04 0.00 0.00 34.50 31.88 3ek9 s PRO 114 CO 0.42 -0.44 0.81 1.28 0.04 0.00 0.00 177.00 179.11 3ek9 n LEU 115 N -0.46 1.72 -3.64 -3.56 4.77 -1.26 -4.93 117.00 109.65 3ek9 n LEU 115 Ca 0.07 -1.41 -0.14 0.00 -0.03 0.00 0.00 56.01 54.50 3ek9 n LEU 115 Cb 0.49 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3ek9 n LEU 115 CO 0.46 0.41 0.21 0.00 -1.33 0.00 0.00 177.39 177.13 3ek9 s GLN 116 N -0.59 0.92 0.06 3.23 -2.07 -1.26 0.90 119.66 120.85 3ek9 s GLN 116 Ca 0.06 -0.18 0.01 0.00 -1.82 0.00 0.00 55.36 53.44 3ek9 s GLN 116 Cb 0.04 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 3ek9 s GLN 116 CO 0.05 -0.30 -0.06 0.00 -1.32 0.00 0.00 175.29 173.66 3ek9 s ALA 117 N -1.96 0.67 -0.40 2.60 0.00 0.23 -4.96 121.76 117.94 3ek9 s ALA 117 Ca -0.08 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.87 3ek9 s ALA 117 Cb -0.02 0.13 0.51 0.00 0.00 0.00 0.00 23.12 23.74 3ek9 s ALA 117 CO 0.02 -0.17 1.81 -0.25 0.00 0.00 0.00 175.76 177.17 3ek9 n ASP 118 N 0.71 4.37 -3.44 0.00 8.00 -1.26 -1.04 116.55 123.90 3ek9 n ASP 118 Ca -0.18 -3.36 -0.10 0.00 0.71 0.00 0.00 54.79 51.86 3ek9 n ASP 118 Cb 0.58 -0.83 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 3ek9 n ASP 118 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 3ek9 s HIS 119 N -2.79 0.41 -0.20 1.24 -3.43 -1.26 -4.67 115.29 104.60 3ek9 s HIS 119 Ca 0.48 -0.85 -0.18 0.00 -0.80 0.00 0.00 55.06 53.71 3ek9 s HIS 119 Cb 0.40 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 31.90 3ek9 s HIS 119 CO 0.07 -1.25 0.51 0.71 -2.00 0.00 0.00 174.74 172.78 3ek9 s TYR 120 N -3.21 3.38 0.23 0.38 1.51 -1.26 -2.99 117.35 115.39 3ek9 s TYR 120 Ca 0.21 0.77 -0.22 0.00 -1.01 0.00 0.00 57.07 56.82 3ek9 s TYR 120 Cb -0.03 -2.66 0.04 0.00 -0.11 0.00 0.00 41.96 39.21 3ek9 s TYR 120 CO 0.13 -0.08 0.68 0.00 -1.11 0.00 0.00 175.55 175.16 3ek9 s ALA 121 N 1.57 -1.38 -1.18 3.71 0.00 -1.26 -5.05 121.76 118.16 3ek9 s ALA 121 Ca 0.24 0.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 3ek9 s ALA 121 Cb -0.15 0.86 0.08 0.00 0.00 0.00 0.00 23.12 23.91 3ek9 s ALA 121 CO 0.10 -0.93 1.57 0.00 0.00 0.00 0.00 175.76 176.50 3ek9 s ALA 122 N -3.84 3.22 0.05 0.00 0.00 -1.26 -4.83 121.76 115.11 3ek9 s ALA 122 Ca 0.07 -2.76 -0.20 0.00 0.00 0.00 0.00 51.96 49.06 3ek9 s ALA 122 Cb -0.04 -4.51 -0.13 0.00 0.00 0.00 0.00 23.12 18.45 3ek9 s ALA 122 CO -0.01 -3.31 1.41 1.25 0.00 0.00 0.00 175.76 175.10 3ek9 h LEU 123 N 12.14 0.34 -8.85 0.00 5.85 -1.91 -3.35 115.31 119.53 3ek9 h LEU 123 Ca 0.34 -0.40 -0.57 0.00 0.84 0.00 0.00 57.88 58.08 3ek9 h LEU 123 Cb 0.92 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3ek9 h LEU 123 CO 1.40 0.66 1.20 -0.22 -0.34 0.00 0.00 178.44 181.15 3ek9 s LEU 124 N -9.29 3.55 0.00 2.25 2.96 -1.26 -2.54 118.68 114.34 3ek9 s LEU 124 Ca -0.14 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 3ek9 s LEU 124 Cb 0.06 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.22 3ek9 s LEU 124 CO 0.74 -1.60 0.00 0.61 -1.32 0.00 0.00 176.35 174.78 3ek9 n GLY 125 N 5.28 0.77 0.71 7.98 0.00 -1.26 -4.13 105.19 114.55 3ek9 n GLY 125 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 3ek9 n GLY 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ek9 n SER 126 N 0.00 2.06 -1.19 1.61 3.41 -1.05 -1.37 113.62 117.09 3ek9 n SER 126 Ca 0.00 -1.99 -0.01 0.00 -0.26 0.00 0.00 58.87 56.60 3ek9 n SER 126 Cb 0.00 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3ek9 n SER 126 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3ek9 n ASN 127 N 0.63 -0.11 -1.44 4.04 0.23 -1.26 -3.62 115.26 113.73 3ek9 n ASN 127 Ca 0.13 -1.18 0.11 0.00 -0.53 0.00 0.00 54.58 53.11 3ek9 n ASN 127 Cb 0.33 0.21 0.34 0.00 -2.08 0.00 0.00 39.78 38.57 3ek9 n ASN 127 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3ek9 n SER 128 N -2.32 4.21 -0.87 0.53 3.41 -1.26 -0.21 113.62 117.11 3ek9 n SER 128 Ca 0.00 -2.16 0.07 0.00 -0.26 0.00 0.00 58.87 56.53 3ek9 n SER 128 Cb 0.05 -0.52 0.22 0.00 -0.26 0.00 0.00 64.21 63.70 3ek9 n SER 128 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ek9 n GLU 129 N 1.46 3.00 -3.53 4.33 -0.58 -1.26 -4.97 120.64 119.10 3ek9 n GLU 129 Ca 0.25 -2.40 -0.14 0.00 -0.42 0.00 0.00 57.16 54.45 3ek9 n GLU 129 Cb 0.71 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 30.03 3ek9 n GLU 129 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3ek9 s SER 130 N -1.22 -0.50 -0.06 1.62 1.04 -1.26 -1.16 113.70 112.16 3ek9 s SER 130 Ca 0.33 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.94 3ek9 s SER 130 Cb 0.21 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.88 3ek9 s SER 130 CO 0.16 -0.78 -0.04 0.26 0.98 0.00 0.00 173.24 173.82 3ek9 s TRP 131 N -2.72 0.84 0.03 5.02 0.51 -0.40 -4.21 118.94 118.00 3ek9 s TRP 131 Ca -0.04 -0.27 0.04 0.00 -2.12 0.00 0.00 56.10 53.71 3ek9 s TRP 131 Cb -0.00 -0.80 -0.02 0.00 -0.81 0.00 0.00 33.47 31.84 3ek9 s TRP 131 CO -0.04 -0.28 -0.12 0.20 -0.51 0.00 0.00 176.95 176.20 3ek9 s GLY 132 N 1.37 0.68 -0.16 0.98 0.00 -0.29 -1.81 107.32 108.09 3ek9 s GLY 132 Ca -0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 44.72 43.91 3ek9 s GLY 132 CO -0.03 -0.69 0.01 0.86 0.00 0.00 0.00 173.10 173.25 3ek9 s TRP 133 N -0.75 3.13 -0.75 1.90 -0.00 0.91 -1.09 118.94 122.29 3ek9 s TRP 133 Ca 0.01 -0.11 -0.24 0.00 -0.00 0.00 0.00 56.10 55.76 3ek9 s TRP 133 Cb -0.07 -2.00 0.06 0.00 -0.00 0.00 0.00 33.47 31.46 3ek9 s TRP 133 CO 0.01 0.07 1.14 0.34 -0.00 0.00 0.00 176.95 178.51 3ek9 s ASP 134 N 0.31 6.25 0.00 5.86 -1.08 -0.21 -0.22 116.67 127.57 3ek9 s ASP 134 Ca -0.00 -0.95 0.08 0.00 -0.52 0.00 0.00 52.55 51.15 3ek9 s ASP 134 Cb -0.13 -2.48 0.47 0.00 -1.46 0.00 0.00 42.92 39.31 3ek9 s ASP 134 CO 0.02 -1.55 1.07 2.30 0.52 0.00 0.00 175.17 177.52 3ek9 n ILE 135 N 6.14 0.00 -0.11 4.11 -5.35 -0.66 0.10 119.36 123.60 3ek9 n ILE 135 Ca 0.05 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.32 3ek9 n ILE 135 Cb 0.48 -0.31 -0.07 0.00 -1.74 0.00 0.00 39.64 37.99 3ek9 n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ek9 n GLY 136 N 0.29 -0.40 0.33 3.28 0.00 -1.26 -4.54 105.19 102.88 3ek9 n GLY 136 Ca 0.06 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3ek9 n GLY 136 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ek9 n ARG 137 N -4.13 1.77 -2.39 1.61 1.85 -1.18 -4.98 116.66 109.21 3ek9 n ARG 137 Ca -0.38 -0.74 -0.05 0.00 -1.00 0.00 0.00 57.85 55.68 3ek9 n ARG 137 Cb 0.74 -1.24 0.01 0.00 -1.05 0.00 0.00 32.46 30.92 3ek9 n ARG 137 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ek9 n GLY 138 N 1.11 0.37 3.90 2.89 0.00 0.28 -4.92 105.19 108.83 3ek9 n GLY 138 Ca 0.06 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 3ek9 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek9 s LYS 139 N -4.72 3.62 -0.24 1.61 1.02 -1.23 -0.64 119.74 119.15 3ek9 s LYS 139 Ca 0.06 -0.09 -0.10 0.00 0.02 0.00 0.00 55.97 55.85 3ek9 s LYS 139 Cb -0.03 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.43 3ek9 s LYS 139 CO 0.08 0.41 0.15 -0.51 -0.92 0.00 0.00 175.35 174.56 3ek9 s LEU 140 N -2.91 4.05 -0.23 3.17 1.43 -0.51 -1.05 118.68 122.63 3ek9 s LEU 140 Ca 0.41 0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 3ek9 s LEU 140 Cb -0.12 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3ek9 s LEU 140 CO 0.26 0.06 -0.01 -0.31 0.23 0.00 0.00 176.35 176.58 3ek9 s TYR 141 N 1.08 3.01 -0.18 0.29 4.12 -0.25 -4.25 117.35 121.18 3ek9 s TYR 141 Ca 0.07 -0.91 -0.08 0.00 0.02 0.00 0.00 57.07 56.17 3ek9 s TYR 141 Cb -0.14 -2.14 0.07 0.00 -1.52 0.00 0.00 41.96 38.23 3ek9 s TYR 141 CO 0.05 -0.53 0.41 -1.58 0.02 0.00 0.00 175.55 173.91 3ek9 s HIS 142 N 1.49 -0.65 -1.46 2.71 2.46 -0.95 -1.14 115.29 117.75 3ek9 s HIS 142 Ca 0.05 1.34 -0.04 0.00 0.47 0.00 0.00 55.06 56.88 3ek9 s HIS 142 Cb -0.15 0.26 0.03 0.00 -0.13 0.00 0.00 32.58 32.59 3ek9 s HIS 142 CO -0.02 -0.38 0.51 1.04 -2.47 0.00 0.00 174.74 173.42 3ek9 n GLN 143 N 4.62 -3.39 0.08 2.88 6.02 0.71 -4.91 117.38 123.39 3ek9 n GLN 143 Ca -0.19 0.41 -0.05 0.00 -0.01 0.00 0.00 57.00 57.17 3ek9 n GLN 143 Cb 0.53 -4.67 -0.08 0.00 1.02 0.00 0.00 30.24 27.04 3ek9 n GLN 143 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3ek9 h SER 144 N -1.79 0.00 0.00 1.08 0.02 -1.53 -3.46 113.55 107.87 3ek9 h SER 144 Ca -0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.32 3ek9 h SER 144 Cb 1.38 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 3ek9 h SER 144 CO 0.65 0.87 0.39 0.29 -1.14 0.00 0.00 176.83 177.89 3ek9 n LYS 145 N -3.30 0.09 -3.45 3.45 4.01 -1.24 -5.04 118.16 112.68 3ek9 n LYS 145 Ca -0.00 -0.04 0.01 0.00 -0.51 0.00 0.00 58.31 57.76 3ek9 n LYS 145 Cb 0.89 -1.52 -0.05 0.00 -0.51 0.00 0.00 35.03 33.85 3ek9 n LYS 145 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ek9 s ALA 149 N 2.76 -2.66 0.60 7.82 0.00 -1.26 -5.06 121.76 123.96 3ek9 s ALA 149 Ca 0.03 2.06 -0.18 0.00 0.00 0.00 0.00 51.96 53.87 3ek9 s ALA 149 Cb 0.01 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 3ek9 s ALA 149 CO 0.00 -0.78 1.15 -2.14 0.00 0.00 0.00 175.76 174.00 3ek9 s PRO 150 N 2.07 3.04 0.55 0.00 0.02 -1.26 -4.75 135.00 134.67 3ek9 s PRO 150 Ca -0.04 1.63 -0.14 0.00 0.02 0.00 0.00 61.00 62.47 3ek9 s PRO 150 Cb -0.05 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 3ek9 s PRO 150 CO -0.16 -1.11 0.99 -0.65 -0.33 0.00 0.00 177.00 175.74 3ek9 s GLN 151 N -3.52 3.80 -0.24 5.54 -1.52 -1.26 -1.43 119.66 121.02 3ek9 s GLN 151 Ca 0.73 0.84 -0.10 0.00 -1.95 0.00 0.00 55.36 54.88 3ek9 s GLN 151 Cb -0.25 -2.13 0.10 0.00 -0.22 0.00 0.00 33.01 30.51 3ek9 s GLN 151 CO 0.33 -0.38 0.55 -0.47 -0.25 0.00 0.00 175.29 175.07 3ek9 s TYR 152 N -2.83 -1.00 0.73 0.91 5.04 0.18 -4.33 117.35 116.04 3ek9 s TYR 152 Ca 0.57 1.88 -0.12 0.00 -2.44 0.00 0.00 57.07 56.96 3ek9 s TYR 152 Cb -0.10 0.53 0.03 0.00 0.35 0.00 0.00 41.96 42.77 3ek9 s TYR 152 CO 0.40 -0.53 1.10 -1.25 -1.34 0.00 0.00 175.55 173.93 3ek9 s PRO 153 N 2.33 2.47 0.00 4.97 0.04 -1.26 -4.63 135.00 138.92 3ek9 s PRO 153 Ca -0.06 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.23 3ek9 s PRO 153 Cb -0.10 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3ek9 s PRO 153 CO -0.16 -1.49 0.10 0.00 0.04 0.00 0.00 177.00 175.49 3ek9 n ALA 154 N -3.10 0.58 -0.20 8.56 0.00 -1.26 -5.12 120.51 119.98 3ek9 n ALA 154 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3ek9 n ALA 154 Cb 0.53 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.59 3ek9 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek9 n GLY 158 N -0.46 1.85 3.73 0.00 0.00 -1.26 -5.10 105.19 103.95 3ek9 n GLY 158 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3ek9 n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ek9 s GLU 159 N 0.53 3.65 0.01 1.61 2.02 -1.26 -5.08 118.70 120.18 3ek9 s GLU 159 Ca 0.00 -0.27 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 3ek9 s GLU 159 Cb 0.00 -3.15 -0.06 0.00 0.10 0.00 0.00 34.13 31.02 3ek9 s GLU 159 CO 0.00 0.52 1.40 -1.14 0.02 0.00 0.00 175.26 176.06 3ek9 s GLN 160 N -0.31 4.28 0.15 1.61 0.74 -1.26 -4.96 119.66 119.91 3ek9 s GLN 160 Ca 0.09 1.98 -0.32 0.00 0.05 0.00 0.00 55.36 57.16 3ek9 s GLN 160 Cb -0.12 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.33 3ek9 s GLN 160 CO 0.01 -0.57 1.80 -0.11 -0.55 0.00 0.00 175.29 175.88 3ek9 n LEU 161 N 5.28 3.99 -3.91 3.68 7.94 -1.26 -4.97 117.00 127.75 3ek9 n LEU 161 Ca 0.13 1.01 -0.29 0.00 -1.11 0.00 0.00 56.01 55.75 3ek9 n LEU 161 Cb 0.44 -1.55 -0.16 0.00 0.53 0.00 0.00 43.42 42.68 3ek9 n LEU 161 CO 0.59 0.16 -0.42 -0.69 -1.11 0.00 0.00 177.39 175.91 3ek9 s VAL 162 N 2.22 1.27 -0.34 1.96 1.01 -1.26 -5.02 120.40 120.24 3ek9 s VAL 162 Ca 0.80 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3ek9 s VAL 162 Cb -0.50 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3ek9 s VAL 162 CO 0.36 0.02 0.23 -0.69 0.00 0.00 0.00 175.10 175.03 3ek9 s VAL 163 N 1.54 5.22 1.19 2.92 1.01 -1.26 -5.02 120.40 126.00 3ek9 s VAL 163 Ca -0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 3ek9 s VAL 163 Cb -0.17 -3.69 0.29 0.00 0.00 0.00 0.00 36.38 32.82 3ek9 s VAL 163 CO -0.07 -0.01 1.02 -2.84 0.00 0.00 0.00 175.10 173.20 3ek9 s PRO 164 N 1.71 -1.09 0.40 2.72 0.02 -1.26 -4.88 135.00 132.62 3ek9 s PRO 164 Ca 0.06 0.69 0.13 0.00 0.02 0.00 0.00 61.00 61.91 3ek9 s PRO 164 Cb -0.17 -1.54 0.96 0.00 0.02 0.00 0.00 34.50 33.77 3ek9 s PRO 164 CO 0.10 -3.80 1.90 1.49 -0.33 0.00 0.00 177.00 176.36 3ek9 h GLU 165 N -2.67 0.50 -5.11 5.54 4.81 -1.95 -3.40 114.58 112.30 3ek9 h GLU 165 Ca -0.60 -0.03 -0.66 0.00 -0.13 0.00 0.00 59.36 57.94 3ek9 h GLU 165 Cb 1.34 -0.11 -0.28 0.00 0.63 0.00 0.00 28.75 30.33 3ek9 h GLU 165 CO 0.50 0.33 -0.74 1.03 -0.73 0.00 0.00 179.01 179.40 3ek9 s ARG 166 N -5.51 3.37 0.19 1.92 0.52 -1.26 -0.61 118.95 117.56 3ek9 s ARG 166 Ca -0.09 -0.65 0.11 0.00 -0.52 0.00 0.00 55.73 54.58 3ek9 s ARG 166 Cb 0.21 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 3ek9 s ARG 166 CO 0.78 -0.06 -0.23 -0.48 0.02 0.00 0.00 175.30 175.33 3ek9 s LEU 167 N 1.09 2.43 -0.24 2.53 2.34 0.38 -4.68 118.68 122.53 3ek9 s LEU 167 Ca 0.01 -0.87 -0.12 0.00 0.06 0.00 0.00 54.13 53.21 3ek9 s LEU 167 Cb -0.15 -1.10 -0.05 0.00 -0.56 0.00 0.00 46.19 44.34 3ek9 s LEU 167 CO -0.01 0.09 0.22 -0.22 -1.06 0.00 0.00 176.35 175.36 3ek9 s LEU 168 N -2.67 4.10 -0.25 1.48 2.96 0.12 -1.21 118.68 123.22 3ek9 s LEU 168 Ca 0.20 0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 54.15 3ek9 s LEU 168 Cb -0.07 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3ek9 s LEU 168 CO 0.09 0.01 0.27 -0.69 -1.32 0.00 0.00 176.35 174.71 3ek9 s VAL 169 N 1.27 5.27 -0.25 1.68 1.01 0.32 -1.07 120.40 128.62 3ek9 s VAL 169 Ca 0.10 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.49 3ek9 s VAL 169 Cb -0.14 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.68 3ek9 s VAL 169 CO 0.06 0.25 -0.11 -0.69 0.00 0.00 0.00 175.10 174.62 3ek9 s VAL 170 N 1.54 2.24 -0.32 2.92 1.01 0.39 -1.55 120.40 126.63 3ek9 s VAL 170 Ca 0.12 -1.51 -0.09 0.00 0.00 0.00 0.00 61.98 60.49 3ek9 s VAL 170 Cb -0.15 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3ek9 s VAL 170 CO 0.08 0.04 0.14 -0.22 0.00 0.00 0.00 175.10 175.15 3ek9 s LEU 171 N 1.14 4.13 -0.48 3.92 2.96 0.25 -0.92 118.68 129.68 3ek9 s LEU 171 Ca -0.07 -0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 53.13 3ek9 s LEU 171 Cb -0.19 -1.98 0.12 0.00 0.50 0.00 0.00 46.19 44.64 3ek9 s LEU 171 CO -0.06 -0.22 0.37 -0.62 -1.32 0.00 0.00 176.35 174.50 3ek9 s ASP 172 N 1.58 5.75 0.07 3.68 2.15 0.63 0.37 116.67 130.91 3ek9 s ASP 172 Ca 0.04 -1.93 0.26 0.00 0.43 0.00 0.00 52.55 51.36 3ek9 s ASP 172 Cb -0.17 -2.03 0.78 0.00 -0.30 0.00 0.00 42.92 41.20 3ek9 s ASP 172 CO 0.06 -0.70 1.64 0.23 -0.17 0.00 0.00 175.17 176.22 3ek9 n MET 173 N 4.91 0.11 0.07 4.34 2.81 0.40 0.10 117.12 129.86 3ek9 n MET 173 Ca -0.08 0.06 -0.16 0.00 -1.81 0.00 0.00 57.70 55.72 3ek9 n MET 173 Cb 0.41 -1.60 -0.08 0.00 -0.71 0.00 0.00 33.22 31.24 3ek9 n MET 173 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3ek9 h GLU 174 N 0.00 0.44 0.00 0.03 4.39 -1.90 -3.34 114.58 114.20 3ek9 h GLU 174 Ca 0.00 -0.53 -0.16 0.00 0.34 0.00 0.00 59.36 59.01 3ek9 h GLU 174 Cb 0.60 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 3ek9 h GLU 174 CO 0.00 1.18 -1.87 0.39 -1.16 0.00 0.00 179.01 177.55 3ek9 n GLU 175 N -3.73 0.65 -1.94 2.33 -0.58 -1.16 -4.99 120.64 111.22 3ek9 n GLU 175 Ca -0.08 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3ek9 n GLU 175 Cb 0.89 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 3ek9 n GLU 175 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ek9 n GLY 176 N 1.44 0.77 3.16 0.62 0.00 0.29 -4.74 105.19 106.72 3ek9 n GLY 176 Ca -0.14 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3ek9 n GLY 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek9 s THR 177 N -2.78 0.83 -0.10 2.61 -4.23 -0.34 -2.27 115.64 109.36 3ek9 s THR 177 Ca 0.00 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 3ek9 s THR 177 Cb 0.00 -1.28 0.02 0.00 1.34 0.00 0.00 72.50 72.58 3ek9 s THR 177 CO 0.00 -0.58 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.17 3ek9 s LEU 178 N -2.39 1.49 0.30 4.79 2.96 -0.65 -0.27 118.68 124.93 3ek9 s LEU 178 Ca 0.04 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 3ek9 s LEU 178 Cb -0.03 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 3ek9 s LEU 178 CO -0.01 -0.04 0.24 -0.83 -1.32 0.00 0.00 176.35 174.40 3ek9 s GLY 179 N 1.20 2.15 0.09 7.98 0.00 -0.10 0.14 107.32 118.79 3ek9 s GLY 179 Ca -0.04 -1.98 -0.07 0.00 0.00 0.00 0.00 44.72 42.64 3ek9 s GLY 179 CO -0.03 -1.47 0.14 -0.19 0.00 0.00 0.00 173.10 171.55 3ek9 s TYR 180 N -3.59 0.28 -0.12 1.90 1.51 -1.25 -0.46 117.35 115.62 3ek9 s TYR 180 Ca 0.40 -0.73 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 3ek9 s TYR 180 Cb 0.03 -0.15 0.06 0.00 -0.11 0.00 0.00 41.96 41.79 3ek9 s TYR 180 CO 0.24 -0.52 0.25 0.45 -1.11 0.00 0.00 175.55 174.86 3ek9 s SER 181 N -2.89 0.08 0.00 2.29 0.15 -0.23 -0.57 113.70 112.53 3ek9 s SER 181 Ca 0.07 0.56 0.01 0.00 0.70 0.00 0.00 55.95 57.29 3ek9 s SER 181 Cb 0.06 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 3ek9 s SER 181 CO -0.09 -0.21 -0.03 0.27 1.20 0.00 0.00 173.24 174.38 3ek9 s ILE 182 N 1.89 0.26 -1.13 6.45 -4.36 -0.60 0.13 121.20 123.83 3ek9 s ILE 182 Ca -0.04 -0.25 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 3ek9 s ILE 182 Cb -0.11 -0.25 0.00 0.00 1.25 0.00 0.00 42.46 43.35 3ek9 s ILE 182 CO -0.08 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.71 3ek9 n GLY 183 N 2.81 -0.44 1.43 6.27 0.00 -1.26 -1.33 105.19 112.67 3ek9 n GLY 183 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3ek9 n GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek9 n GLY 184 N -0.80 0.57 2.89 -0.02 0.00 -1.26 -5.04 105.19 101.53 3ek9 n GLY 184 Ca -0.15 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 3ek9 n GLY 184 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek9 s THR 185 N -2.00 1.20 0.01 2.61 2.01 -0.44 -4.72 115.64 114.32 3ek9 s THR 185 Ca 0.00 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 3ek9 s THR 185 Cb 0.00 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 3ek9 s THR 185 CO 0.00 -0.04 1.23 -0.47 -0.69 0.00 0.00 174.62 174.65 3ek9 s TYR 186 N 1.56 3.27 -2.17 4.92 5.04 -1.26 -1.56 117.35 127.15 3ek9 s TYR 186 Ca -0.03 1.21 0.26 0.00 -2.44 0.00 0.00 57.07 56.07 3ek9 s TYR 186 Cb -0.17 -3.45 0.66 0.00 0.35 0.00 0.00 41.96 39.35 3ek9 s TYR 186 CO -0.07 -1.44 1.51 1.28 -1.34 0.00 0.00 175.55 175.49 3ek9 n LEU 187 N 4.57 1.55 0.00 6.97 4.77 0.26 -2.25 117.00 132.86 3ek9 n LEU 187 Ca 0.10 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3ek9 n LEU 187 Cb 0.46 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3ek9 n LEU 187 CO 0.56 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3ek9 n GLY 188 N 1.30 -3.60 3.70 -0.72 0.00 -1.26 -4.88 105.19 99.74 3ek9 n GLY 188 Ca 0.14 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3ek9 n GLY 188 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ek9 s PRO 189 N -0.94 4.32 -0.01 1.61 0.04 -1.26 -3.77 135.00 134.99 3ek9 s PRO 189 Ca 0.00 1.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 3ek9 s PRO 189 Cb 0.00 -3.48 -0.31 0.00 0.04 0.00 0.00 34.50 30.75 3ek9 s PRO 189 CO 0.00 -0.49 0.98 0.00 0.04 0.00 0.00 177.00 177.53 3ek9 h ALA 190 N 7.46 -0.07 -3.77 8.56 0.00 0.93 -3.47 119.26 128.89 3ek9 h ALA 190 Ca -0.39 -0.72 -0.44 0.00 0.00 0.00 0.00 54.91 53.36 3ek9 h ALA 190 Cb 1.19 0.11 -0.25 0.00 0.00 0.00 0.00 17.79 18.84 3ek9 h ALA 190 CO 0.88 0.48 -0.79 -0.06 0.00 0.00 0.00 179.25 179.76 3ek9 s PHE 191 N -2.66 1.18 0.00 0.00 0.40 -0.71 -4.98 117.98 111.22 3ek9 s PHE 191 Ca -0.12 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 3ek9 s PHE 191 Cb 0.03 -0.71 0.00 0.00 0.51 0.00 0.00 43.02 42.85 3ek9 s PHE 191 CO 0.87 0.02 0.00 0.54 0.70 0.00 0.00 175.22 177.35 3ek9 n ARG 192 N 1.99 2.07 -2.33 0.44 1.74 -1.26 -1.63 116.66 117.67 3ek9 n ARG 192 Ca -0.18 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.80 3ek9 n ARG 192 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 3ek9 n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ek9 n GLY 193 N 5.00 -0.01 0.01 -0.13 0.00 -0.96 -4.88 105.19 104.21 3ek9 n GLY 193 Ca 0.00 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.71 3ek9 n GLY 193 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ek9 n LEU 194 N -1.68 0.66 -4.71 0.99 4.77 -0.99 -4.99 117.00 111.05 3ek9 n LEU 194 Ca -0.10 -0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 55.17 3ek9 n LEU 194 Cb 0.58 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 3ek9 n LEU 194 CO 0.17 0.15 1.06 0.29 -1.33 0.00 0.00 177.39 177.73 3ek9 n LYS 195 N -1.77 2.32 -0.47 3.23 5.02 -1.26 -2.49 118.16 122.73 3ek9 n LYS 195 Ca 0.02 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 3ek9 n LYS 195 Cb 0.41 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 3ek9 n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ek9 n GLY 196 N 1.56 0.74 3.82 0.72 0.00 -1.26 -5.05 105.19 105.72 3ek9 n GLY 196 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3ek9 n GLY 196 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek9 s ARG 197 N -0.53 2.52 -0.27 1.61 0.52 -1.04 -5.11 118.95 116.65 3ek9 s ARG 197 Ca 0.00 -1.50 0.03 0.00 -0.52 0.00 0.00 55.73 53.73 3ek9 s ARG 197 Cb 0.00 -2.32 0.06 0.00 0.52 0.00 0.00 34.95 33.21 3ek9 s ARG 197 CO 0.00 -0.04 -0.09 0.99 0.02 0.00 0.00 175.30 176.18 3ek9 s THR 198 N -2.43 2.26 -0.08 0.02 2.01 -1.26 -4.23 115.64 111.93 3ek9 s THR 198 Ca 0.43 -1.65 0.03 0.00 0.31 0.00 0.00 61.69 60.80 3ek9 s THR 198 Cb -0.03 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 3ek9 s THR 198 CO 0.26 -0.07 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.21 3ek9 s LEU 199 N 1.10 2.64 -0.04 4.42 1.43 -0.42 -4.30 118.68 123.53 3ek9 s LEU 199 Ca -0.08 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3ek9 s LEU 199 Cb -0.20 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3ek9 s LEU 199 CO -0.05 0.28 0.01 -0.31 0.23 0.00 0.00 176.35 176.51 3ek9 s TYR 200 N -0.32 3.15 0.40 0.29 1.51 -0.05 0.37 117.35 122.70 3ek9 s TYR 200 Ca 0.02 0.15 -0.26 0.00 -1.01 0.00 0.00 57.07 55.97 3ek9 s TYR 200 Cb -0.13 -1.73 -0.11 0.00 -0.11 0.00 0.00 41.96 39.89 3ek9 s TYR 200 CO 0.03 0.48 1.26 -2.30 -1.11 0.00 0.00 175.55 173.90 3ek9 n PRO 201 N 1.69 1.95 -3.56 -1.71 -0.02 -1.26 -0.90 135.00 131.19 3ek9 n PRO 201 Ca -0.16 0.69 -0.11 0.00 -2.02 0.00 0.00 63.50 61.89 3ek9 n PRO 201 Cb 0.53 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 3ek9 n PRO 201 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ek9 s SER 202 N -0.48 -0.36 -0.03 2.55 0.15 -0.32 -0.29 113.70 114.92 3ek9 s SER 202 Ca 0.59 -0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.98 3ek9 s SER 202 Cb -0.53 0.51 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 3ek9 s SER 202 CO 0.59 -0.86 0.27 -0.69 1.20 0.00 0.00 173.24 173.76 3ek9 s VAL 203 N -3.53 0.05 -0.04 4.45 1.01 -1.15 -1.53 120.40 119.65 3ek9 s VAL 203 Ca 0.01 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3ek9 s VAL 203 Cb 0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 3ek9 s VAL 203 CO -0.10 -0.22 -0.15 -0.94 0.00 0.00 0.00 175.10 173.68 3ek9 s SER 204 N -1.00 1.96 0.05 3.32 1.04 -0.40 -2.75 113.70 115.91 3ek9 s SER 204 Ca -0.11 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.02 3ek9 s SER 204 Cb -0.05 -0.56 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 3ek9 s SER 204 CO 0.03 0.13 -0.06 0.00 0.98 0.00 0.00 173.24 174.32 3ek9 s ALA 205 N 0.10 0.60 -0.01 5.32 0.00 0.33 -2.03 121.76 126.07 3ek9 s ALA 205 Ca -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3ek9 s ALA 205 Cb -0.11 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 3ek9 s ALA 205 CO 0.02 -0.14 0.02 1.33 0.00 0.00 0.00 175.76 176.99 3ek9 n VAL 206 N 0.94 0.00 -3.94 0.00 0.24 -1.25 -1.36 118.33 112.95 3ek9 n VAL 206 Ca -0.19 -0.17 -0.32 0.00 -2.04 0.00 0.00 64.34 61.62 3ek9 n VAL 206 Cb 0.57 0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 33.55 3ek9 n VAL 206 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3ek9 s TRP 207 N -1.72 3.48 0.02 6.34 -0.00 -1.26 -4.88 118.94 120.93 3ek9 s TRP 207 Ca -0.00 0.27 0.07 0.00 -0.00 0.00 0.00 56.10 56.44 3ek9 s TRP 207 Cb 0.00 -1.77 -0.02 0.00 -0.00 0.00 0.00 33.47 31.68 3ek9 s TRP 207 CO 0.03 0.60 -0.22 0.20 -0.00 0.00 0.00 176.95 177.56 3ek9 s GLY 208 N -2.21 1.15 0.00 5.86 0.00 -1.26 -4.42 107.32 106.45 3ek9 s GLY 208 Ca 0.30 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3ek9 s GLY 208 CO 0.22 -0.95 0.00 -1.06 0.00 0.00 0.00 173.10 171.32 3ek9 n GLN 209 N 2.06 0.00 -4.32 2.90 3.00 0.75 -4.50 117.38 117.27 3ek9 n GLN 209 Ca -0.17 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.58 3ek9 n GLN 209 Cb 0.53 -1.21 -0.09 0.00 0.00 0.00 0.00 30.24 29.47 3ek9 n GLN 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ek9 s GLN 211 N -3.26 1.28 -0.18 0.00 -0.21 -1.26 -3.72 119.66 112.31 3ek9 s GLN 211 Ca 0.28 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 55.00 3ek9 s GLN 211 Cb -0.07 -2.25 0.03 0.00 1.00 0.00 0.00 33.01 31.73 3ek9 s GLN 211 CO 0.17 -0.55 -0.11 0.08 -2.12 0.00 0.00 175.29 172.75 3ek9 s VAL 212 N 1.61 1.58 0.06 1.09 1.01 -0.89 -4.26 120.40 120.59 3ek9 s VAL 212 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3ek9 s VAL 212 Cb -0.17 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3ek9 s VAL 212 CO -0.07 0.27 0.04 -0.13 0.00 0.00 0.00 175.10 175.21 3ek9 s ARG 213 N 1.45 2.79 -0.10 2.72 0.52 -0.19 -1.92 118.95 124.22 3ek9 s ARG 213 Ca 0.01 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.55 3ek9 s ARG 213 Cb -0.15 -2.68 0.01 0.00 0.52 0.00 0.00 34.95 32.65 3ek9 s ARG 213 CO -0.09 0.58 -0.17 -1.50 0.02 0.00 0.00 175.30 174.14 3ek9 s ILE 214 N -1.29 1.56 -0.34 1.52 2.07 -0.21 -1.09 121.20 123.42 3ek9 s ILE 214 Ca 0.26 -0.70 0.03 0.00 -1.41 0.00 0.00 60.65 58.82 3ek9 s ILE 214 Cb -0.12 -1.40 0.10 0.00 0.13 0.00 0.00 42.46 41.17 3ek9 s ILE 214 CO 0.18 0.45 0.07 -0.60 -1.91 0.00 0.00 174.94 173.13 3ek9 s ARG 215 N 0.76 1.31 0.18 3.50 3.52 0.11 -4.69 118.95 123.64 3ek9 s ARG 215 Ca -0.11 -1.71 -0.31 0.00 -0.13 0.00 0.00 55.73 53.47 3ek9 s ARG 215 Cb -0.16 -2.91 -0.09 0.00 -1.56 0.00 0.00 34.95 30.23 3ek9 s ARG 215 CO 0.02 -0.96 1.41 -0.47 -0.81 0.00 0.00 175.30 174.49 3ek9 s TYR 216 N 1.03 3.16 -0.29 5.12 5.04 -1.26 -0.65 117.35 129.49 3ek9 s TYR 216 Ca 0.11 1.00 0.17 0.00 -2.44 0.00 0.00 57.07 55.91 3ek9 s TYR 216 Cb -0.19 -3.74 -0.23 0.00 0.35 0.00 0.00 41.96 38.15 3ek9 s TYR 216 CO -0.12 -2.48 0.49 -1.33 -1.34 0.00 0.00 175.55 170.77 3ek9 n MET 217 N 3.13 0.89 0.00 4.97 2.81 0.18 -4.60 117.12 124.50 3ek9 n MET 217 Ca 0.09 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3ek9 n MET 217 Cb 0.41 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 3ek9 n MET 217 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ek9 n GLY 218 N 1.48 0.82 0.00 3.03 0.00 -1.21 -4.42 105.19 104.89 3ek9 n GLY 218 Ca -0.01 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3ek9 n GLY 218 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48