#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek4 n THR 47 N 0.00 0.00 -0.25 3.15 -2.24 -1.26 -2.55 114.28 111.13 3ek4 n THR 47 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3ek4 n THR 47 Cb 0.00 -0.32 0.15 0.00 -2.10 0.00 0.00 70.33 68.05 3ek4 n THR 47 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3ek4 h GLY 48 N 4.10 1.16 -0.86 3.38 0.00 -2.01 -2.18 103.07 106.66 3ek4 h GLY 48 Ca 0.00 -0.55 0.30 0.00 0.00 0.00 0.00 47.33 47.07 3ek4 h GLY 48 CO 0.00 0.53 0.23 1.42 0.00 0.00 0.00 176.54 178.72 3ek4 n HIS 49 N -4.33 0.77 -0.12 5.60 -0.00 -1.06 -1.03 115.22 115.05 3ek4 n HIS 49 Ca 0.07 1.03 -0.11 0.00 -0.00 0.00 0.00 57.72 58.71 3ek4 n HIS 49 Cb 0.13 -1.28 0.01 0.00 -0.00 0.00 0.00 29.99 28.85 3ek4 n HIS 49 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ek4 h ALA 50 N 1.72 0.67 -0.34 -1.41 0.00 -1.65 -2.48 119.26 115.78 3ek4 h ALA 50 Ca 0.62 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3ek4 h ALA 50 Cb 1.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3ek4 h ALA 50 CO -0.74 0.67 0.05 0.28 0.00 0.00 0.00 179.25 179.51 3ek4 h VAL 51 N 0.77 1.24 -0.02 0.00 2.07 -1.13 -2.60 116.25 116.58 3ek4 h VAL 51 Ca 0.08 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 3ek4 h VAL 51 Cb 0.88 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3ek4 h VAL 51 CO 0.08 0.28 -0.54 0.08 0.02 0.00 0.00 177.57 177.49 3ek4 h ARG 52 N 0.39 0.06 -0.60 1.57 0.11 -1.53 -0.06 114.38 114.31 3ek4 h ARG 52 Ca 0.10 -0.04 0.07 0.00 0.10 0.00 0.00 59.98 60.22 3ek4 h ARG 52 Cb 0.37 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.39 3ek4 h ARG 52 CO 0.01 0.59 0.28 0.00 0.10 0.00 0.00 179.97 180.94 3ek4 h ALA 53 N 1.41 0.79 -0.26 0.08 0.00 -1.33 0.93 119.26 120.88 3ek4 h ALA 53 Ca -0.00 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3ek4 h ALA 53 Cb 0.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3ek4 h ALA 53 CO 0.07 -0.10 -0.45 0.82 0.00 0.00 0.00 179.25 179.59 3ek4 h ILE 54 N 0.51 1.30 -0.36 0.00 2.04 -1.06 0.02 117.51 119.96 3ek4 h ILE 54 Ca 0.29 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 3ek4 h ILE 54 Cb 0.27 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3ek4 h ILE 54 CO -0.23 0.52 0.19 1.23 0.00 0.00 0.00 178.15 179.86 3ek4 h GLY 55 N 0.97 0.54 0.94 5.37 0.00 -0.32 -1.39 103.07 109.19 3ek4 h GLY 55 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3ek4 h GLY 55 CO 0.09 0.25 0.17 -0.09 0.00 0.00 0.00 176.54 176.95 3ek4 h ARG 56 N 0.45 0.56 0.00 4.80 9.65 1.00 -1.25 114.38 129.58 3ek4 h ARG 56 Ca 0.12 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3ek4 h ARG 56 Cb 0.09 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3ek4 h ARG 56 CO -0.02 0.52 0.00 -0.07 2.80 0.00 0.00 179.97 183.20 3ek4 h LEU 57 N 0.48 0.00 0.00 3.80 3.38 -0.90 -0.51 115.31 121.56 3ek4 h LEU 57 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ek4 h LEU 57 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ek4 h LEU 57 CO -0.01 0.00 -0.81 -1.20 0.09 0.00 0.00 178.44 176.51 3ek4 n SER 58 N -2.70 0.69 -4.94 -0.43 7.64 -0.53 -4.55 113.62 108.81 3ek4 n SER 58 Ca 0.00 0.06 -0.23 0.00 1.01 0.00 0.00 58.87 59.71 3ek4 n SER 58 Cb 0.19 0.40 0.06 0.00 -1.01 0.00 0.00 64.21 63.84 3ek4 n SER 58 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3ek4 s SER 59 N -4.33 5.01 -0.30 6.43 0.01 -0.20 -5.07 113.70 115.24 3ek4 s SER 59 Ca 0.04 0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.51 3ek4 s SER 59 Cb 0.13 -0.94 0.09 0.00 0.21 0.00 0.00 66.02 65.51 3ek4 s SER 59 CO 0.76 -1.40 0.04 -0.76 0.41 0.00 0.00 173.24 172.29 3ek4 s LEU 60 N -5.01 3.32 0.00 2.44 1.43 -1.26 -4.99 118.68 114.61 3ek4 s LEU 60 Ca 0.59 -1.74 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 3ek4 s LEU 60 Cb -0.10 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.88 3ek4 s LEU 60 CO 0.42 -0.36 0.67 -0.62 0.23 0.00 0.00 176.35 176.69 3ek4 n GLU 61 N 4.57 0.37 -2.78 1.70 -0.58 -1.26 -4.73 120.64 117.94 3ek4 n GLU 61 Ca -0.02 -0.85 -0.16 0.00 -0.42 0.00 0.00 57.16 55.72 3ek4 n GLU 61 Cb 0.42 -1.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.31 3ek4 n GLU 61 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ek4 n ASN 62 N -0.16 1.88 -4.37 1.62 3.02 -1.26 -4.84 115.26 111.15 3ek4 n ASN 62 Ca 0.00 -2.18 -0.44 0.00 -0.03 0.00 0.00 54.58 51.92 3ek4 n ASN 62 Cb 0.09 -0.13 -0.07 0.00 -0.61 0.00 0.00 39.78 39.05 3ek4 n ASN 62 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ek4 s VAL 63 N -1.68 5.14 -0.05 2.41 1.01 0.22 -4.48 120.40 122.96 3ek4 s VAL 63 Ca 0.29 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 3ek4 s VAL 63 Cb -0.02 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3ek4 s VAL 63 CO 0.19 -0.61 0.66 -0.31 0.00 0.00 0.00 175.10 175.02 3ek4 s TYR 64 N 1.62 3.60 -0.07 5.22 2.02 -1.08 0.09 117.35 128.75 3ek4 s TYR 64 Ca 0.04 1.22 0.05 0.00 -0.37 0.00 0.00 57.07 58.01 3ek4 s TYR 64 Cb -0.25 -2.75 -0.01 0.00 -0.40 0.00 0.00 41.96 38.56 3ek4 s TYR 64 CO 0.06 0.16 -0.23 0.42 -1.57 0.00 0.00 175.55 174.38 3ek4 s ILE 65 N 0.55 1.95 0.10 2.71 1.01 -0.31 -2.74 121.20 124.48 3ek4 s ILE 65 Ca 0.35 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 60.06 3ek4 s ILE 65 Cb -0.18 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3ek4 s ILE 65 CO 0.17 0.54 -0.13 -0.04 0.00 0.00 0.00 174.94 175.49 3ek4 s MET 66 N 0.01 0.92 0.48 2.79 1.00 -0.53 -2.55 119.30 121.42 3ek4 s MET 66 Ca -0.08 -1.16 -0.23 0.00 0.00 0.00 0.00 55.69 54.23 3ek4 s MET 66 Cb -0.15 -0.76 -0.07 0.00 0.00 0.00 0.00 34.83 33.86 3ek4 s MET 66 CO 0.05 0.14 1.23 0.00 0.00 0.00 0.00 175.02 176.44 3ek4 s ALA 67 N -2.08 2.94 -0.55 3.03 0.00 -1.21 -0.74 121.76 123.15 3ek4 s ALA 67 Ca 0.06 1.06 -0.28 0.00 0.00 0.00 0.00 51.96 52.80 3ek4 s ALA 67 Cb -0.05 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3ek4 s ALA 67 CO 0.02 -0.87 1.33 0.34 0.00 0.00 0.00 175.76 176.57 3ek4 s ASP 68 N -1.22 6.28 0.00 0.00 -1.08 0.11 -4.64 116.67 116.11 3ek4 s ASP 68 Ca 0.66 0.29 0.21 0.00 -0.52 0.00 0.00 52.55 53.18 3ek4 s ASP 68 Cb -0.32 -2.55 1.22 0.00 -1.46 0.00 0.00 42.92 39.81 3ek4 s ASP 68 CO 0.39 -1.59 1.62 1.17 0.52 0.00 0.00 175.17 177.28 3ek4 n LYS 69 N 8.50 0.62 0.00 4.34 0.00 -1.26 -3.05 118.16 127.31 3ek4 n LYS 69 Ca 0.11 0.01 0.03 0.00 0.00 0.00 0.00 58.31 58.47 3ek4 n LYS 69 Cb 0.49 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.98 3ek4 n LYS 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3ek4 n GLN 70 N -1.02 4.64 0.00 1.64 6.02 -1.26 -5.07 117.38 122.32 3ek4 n GLN 70 Ca 0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 3ek4 n GLN 70 Cb 0.08 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 30.50 3ek4 n GLN 70 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3ek4 n LYS 71 N -1.15 0.00 -1.57 -1.09 2.85 -1.17 -5.13 118.16 110.89 3ek4 n LYS 71 Ca 0.01 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.80 3ek4 n LYS 71 Cb 0.11 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.46 3ek4 n LYS 71 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ek4 n ASN 72 N 0.00 1.18 0.00 -5.58 3.02 -1.26 -4.38 115.26 108.25 3ek4 n ASN 72 Ca 0.00 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.70 3ek4 n ASN 72 Cb 0.00 -1.23 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 3ek4 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ek4 n GLY 73 N 1.74 1.36 3.20 7.41 0.00 -1.26 -4.55 105.19 113.07 3ek4 n GLY 73 Ca 0.13 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 3ek4 n GLY 73 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ek4 s ILE 74 N -1.19 0.56 0.21 -0.61 -4.36 -1.00 0.07 121.20 114.89 3ek4 s ILE 74 Ca 0.00 -1.95 0.10 0.00 -0.26 0.00 0.00 60.65 58.55 3ek4 s ILE 74 Cb 0.00 -1.95 -0.05 0.00 1.25 0.00 0.00 42.46 41.72 3ek4 s ILE 74 CO 0.00 -0.62 -0.20 -0.54 0.24 0.00 0.00 174.94 173.82 3ek4 s LYS 75 N -3.91 1.46 0.03 0.37 1.02 0.08 -1.62 119.74 117.16 3ek4 s LYS 75 Ca 0.19 -1.56 -0.10 0.00 0.02 0.00 0.00 55.97 54.52 3ek4 s LYS 75 Cb 0.06 -1.56 0.01 0.00 -0.52 0.00 0.00 37.83 35.81 3ek4 s LYS 75 CO 0.00 0.31 0.20 0.00 -0.92 0.00 0.00 175.35 174.95 3ek4 s ALA 76 N -2.19 -0.41 -0.00 5.17 0.00 -0.21 -1.46 121.76 122.65 3ek4 s ALA 76 Ca 0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 3ek4 s ALA 76 Cb -0.05 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.31 3ek4 s ALA 76 CO 0.10 -0.33 0.17 0.54 0.00 0.00 0.00 175.76 176.23 3ek4 s ASN 77 N -1.92 -0.02 0.05 0.00 4.22 -1.11 -0.52 114.94 115.64 3ek4 s ASN 77 Ca -0.07 -0.12 -0.27 0.00 -2.14 0.00 0.00 52.86 50.26 3ek4 s ASN 77 Cb -0.02 0.24 0.09 0.00 1.28 0.00 0.00 41.25 42.84 3ek4 s ASN 77 CO -0.02 -0.36 1.20 0.72 -2.04 0.00 0.00 177.10 176.60 3ek4 s PHE 78 N -1.28 0.02 -0.06 1.54 -0.12 -0.98 -2.63 117.98 114.46 3ek4 s PHE 78 Ca -0.14 -0.22 0.04 0.00 -0.05 0.00 0.00 56.93 56.56 3ek4 s PHE 78 Cb -0.07 0.60 0.00 0.00 -0.63 0.00 0.00 43.02 42.92 3ek4 s PHE 78 CO 0.02 -0.48 -0.16 0.21 -0.05 0.00 0.00 175.22 174.76 3ek4 s LYS 79 N -2.20 1.85 -0.05 1.99 2.20 -1.26 -0.77 119.74 121.50 3ek4 s LYS 79 Ca 0.23 -0.56 0.04 0.00 -0.36 0.00 0.00 55.97 55.33 3ek4 s LYS 79 Cb -0.00 -1.55 -0.02 0.00 -1.51 0.00 0.00 37.83 34.74 3ek4 s LYS 79 CO 0.00 0.16 -0.16 0.42 -0.36 0.00 0.00 175.35 175.42 3ek4 s ILE 80 N 0.27 2.90 -0.29 5.43 -1.09 -0.58 -4.86 121.20 122.98 3ek4 s ILE 80 Ca -0.09 -0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 57.48 3ek4 s ILE 80 Cb -0.13 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.63 3ek4 s ILE 80 CO 0.03 0.59 0.09 -0.13 -1.23 0.00 0.00 174.94 174.29 3ek4 s ARG 81 N -0.70 3.17 -0.25 2.79 0.52 -1.26 -1.41 118.95 121.80 3ek4 s ARG 81 Ca 0.11 -0.81 -0.13 0.00 -0.52 0.00 0.00 55.73 54.39 3ek4 s ARG 81 Cb -0.11 -3.39 -0.05 0.00 0.52 0.00 0.00 34.95 31.93 3ek4 s ARG 81 CO 0.00 -0.42 0.26 -1.01 0.02 0.00 0.00 175.30 174.16 3ek4 s HIS 82 N 1.52 3.29 -0.22 -0.53 3.76 0.19 -4.93 115.29 118.38 3ek4 s HIS 82 Ca 0.03 0.32 -0.29 0.00 -0.15 0.00 0.00 55.06 54.97 3ek4 s HIS 82 Cb -0.17 -2.41 -0.01 0.00 1.11 0.00 0.00 32.58 31.11 3ek4 s HIS 82 CO 0.03 -0.06 1.25 -0.80 -0.85 0.00 0.00 174.74 174.32 3ek4 s ASN 83 N 1.32 6.87 0.22 1.40 0.01 -1.26 0.65 114.94 124.15 3ek4 s ASN 83 Ca 0.11 1.49 -0.30 0.00 -0.71 0.00 0.00 52.86 53.46 3ek4 s ASN 83 Cb -0.15 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 38.88 3ek4 s ASN 83 CO 0.08 -0.86 1.39 -0.63 -1.51 0.00 0.00 177.10 175.57 3ek4 s ILE 84 N 3.77 2.89 0.12 0.60 1.01 -0.82 -0.78 121.20 127.99 3ek4 s ILE 84 Ca 0.54 0.74 -0.32 0.00 0.00 0.00 0.00 60.65 61.61 3ek4 s ILE 84 Cb -0.19 -3.47 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 3ek4 s ILE 84 CO 0.17 0.11 1.52 -0.08 0.00 0.00 0.00 174.94 176.66 3ek4 h GLU 85 N 5.29 -0.41 -1.00 2.79 4.57 -1.15 -0.36 114.58 124.31 3ek4 h GLU 85 Ca -0.45 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.75 3ek4 h GLU 85 Cb 1.22 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3ek4 h GLU 85 CO 0.78 -0.27 0.01 -0.25 -1.18 0.00 0.00 179.01 178.10 3ek4 n ASP 86 N -5.26 2.28 0.00 1.04 8.00 -1.26 -4.93 116.55 116.41 3ek4 n ASP 86 Ca -0.04 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.42 3ek4 n ASP 86 Cb 0.33 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3ek4 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ek4 n GLY 87 N 0.28 0.90 0.00 0.44 0.00 -0.15 -5.14 105.19 101.53 3ek4 n GLY 87 Ca 0.01 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3ek4 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek4 n GLY 88 N 1.01 1.31 2.88 -0.02 0.00 -1.26 -4.63 105.19 104.49 3ek4 n GLY 88 Ca 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 3ek4 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek4 s VAL 89 N -1.60 0.05 -0.18 1.61 0.11 -1.26 -1.95 120.40 117.17 3ek4 s VAL 89 Ca 0.00 -0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 3ek4 s VAL 89 Cb 0.00 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.76 3ek4 s VAL 89 CO 0.00 -0.02 0.01 -1.58 -3.33 0.00 0.00 175.10 170.19 3ek4 s GLN 90 N -0.09 3.74 -0.02 1.54 2.00 0.21 -4.86 119.66 122.18 3ek4 s GLN 90 Ca -0.01 -0.46 0.00 0.00 -2.00 0.00 0.00 55.36 52.89 3ek4 s GLN 90 Cb -0.01 -3.08 -0.04 0.00 0.80 0.00 0.00 33.01 30.68 3ek4 s GLN 90 CO -0.00 0.15 0.03 -0.51 -0.50 0.00 0.00 175.29 174.46 3ek4 s LEU 91 N 0.65 3.67 -0.14 3.68 1.43 -1.26 0.53 118.68 127.25 3ek4 s LEU 91 Ca 0.00 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3ek4 s LEU 91 Cb -0.14 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.05 3ek4 s LEU 91 CO 0.02 0.30 0.00 0.00 0.23 0.00 0.00 176.35 176.90 3ek4 s ALA 92 N -1.09 0.98 -0.15 4.21 0.00 -0.50 -0.69 121.76 124.51 3ek4 s ALA 92 Ca 0.20 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 3ek4 s ALA 92 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 3ek4 s ALA 92 CO 0.10 -0.79 0.50 0.71 0.00 0.00 0.00 175.76 176.28 3ek4 s TYR 93 N 1.86 3.45 -0.07 0.00 1.51 -0.12 -1.53 117.35 122.46 3ek4 s TYR 93 Ca 0.02 0.85 0.02 0.00 -1.01 0.00 0.00 57.07 56.96 3ek4 s TYR 93 Cb -0.15 -2.61 -0.02 0.00 -0.11 0.00 0.00 41.96 39.07 3ek4 s TYR 93 CO -0.07 0.05 -0.13 -1.01 -1.11 0.00 0.00 175.55 173.27 3ek4 s HIS 94 N 1.07 2.75 -0.04 2.71 3.76 0.05 -0.51 115.29 125.08 3ek4 s HIS 94 Ca 0.26 -0.29 0.02 0.00 -0.15 0.00 0.00 55.06 54.90 3ek4 s HIS 94 Cb -0.15 -1.70 0.01 0.00 1.11 0.00 0.00 32.58 31.85 3ek4 s HIS 94 CO 0.10 0.08 -0.08 0.71 -0.85 0.00 0.00 174.74 174.70 3ek4 s TYR 95 N -0.41 1.01 -0.00 1.40 2.02 -0.65 -2.33 117.35 118.38 3ek4 s TYR 95 Ca 0.05 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 3ek4 s TYR 95 Cb -0.12 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.66 3ek4 s TYR 95 CO 0.02 -0.19 -0.01 -1.14 -1.57 0.00 0.00 175.55 172.66 3ek4 s GLN 96 N 0.62 0.10 -0.02 -0.62 0.74 0.33 -1.52 119.66 119.28 3ek4 s GLN 96 Ca -0.10 -0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.29 3ek4 s GLN 96 Cb -0.13 -0.11 0.01 0.00 1.10 0.00 0.00 33.01 33.87 3ek4 s GLN 96 CO 0.01 0.02 -0.05 -1.14 -0.55 0.00 0.00 175.29 173.59 3ek4 s GLN 97 N 0.02 0.54 0.02 1.67 2.00 0.72 -1.04 119.66 123.60 3ek4 s GLN 97 Ca 0.00 -0.14 0.06 0.00 -2.00 0.00 0.00 55.36 53.28 3ek4 s GLN 97 Cb -0.01 -0.56 -0.02 0.00 0.80 0.00 0.00 33.01 33.22 3ek4 s GLN 97 CO -0.00 0.03 -0.17 -0.80 -0.50 0.00 0.00 175.29 173.86 3ek4 s ASN 98 N 0.30 1.95 -0.09 6.67 -0.87 -0.64 -0.16 114.94 122.10 3ek4 s ASN 98 Ca -0.03 -0.42 -0.04 0.00 -1.57 0.00 0.00 52.86 50.80 3ek4 s ASN 98 Cb -0.07 -0.17 0.04 0.00 -0.02 0.00 0.00 41.25 41.03 3ek4 s ASN 98 CO -0.00 0.12 0.19 -0.89 -2.57 0.00 0.00 177.10 173.96 3ek4 s THR 99 N -0.67 -0.11 0.76 1.60 2.01 -0.43 -2.37 115.64 116.43 3ek4 s THR 99 Ca 0.05 0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.10 3ek4 s THR 99 Cb -0.07 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.13 3ek4 s THR 99 CO 0.01 0.08 0.81 -0.81 -0.69 0.00 0.00 174.62 174.02 3ek4 n PRO 100 N 4.47 0.29 -0.06 4.92 -0.04 -1.26 -0.33 135.00 142.99 3ek4 n PRO 100 Ca -0.21 0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.19 3ek4 n PRO 100 Cb 0.52 -2.10 -0.13 0.00 -0.04 0.00 0.00 33.50 31.75 3ek4 n PRO 100 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3ek4 n ILE 101 N -2.74 1.65 -1.67 0.52 5.41 -0.41 -4.69 119.36 117.44 3ek4 n ILE 101 Ca 0.11 -0.52 -0.30 0.00 1.00 0.00 0.00 62.75 63.04 3ek4 n ILE 101 Cb 0.50 -1.71 0.07 0.00 -0.71 0.00 0.00 39.64 37.79 3ek4 n ILE 101 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3ek4 s GLY 102 N -5.71 1.63 -0.02 7.39 0.00 -1.26 -5.02 107.32 104.33 3ek4 s GLY 102 Ca -0.28 -0.21 0.11 0.00 0.00 0.00 0.00 44.72 44.35 3ek4 s GLY 102 CO 0.68 0.18 0.76 -0.55 0.00 0.00 0.00 173.10 174.17 3ek4 h ASP 103 N -0.88 0.01 -2.79 1.64 3.45 -1.98 -3.48 116.42 112.38 3ek4 h ASP 103 Ca -0.46 -0.02 -0.50 0.00 0.43 0.00 0.00 57.03 56.49 3ek4 h ASP 103 Cb 1.25 -0.00 0.23 0.00 -0.56 0.00 0.00 39.33 40.25 3ek4 h ASP 103 CO 0.60 1.01 -0.92 0.61 -1.57 0.00 0.00 179.24 178.97 3ek4 n GLY 104 N 1.53 -2.38 3.77 2.75 0.00 -1.26 -4.93 105.19 104.67 3ek4 n GLY 104 Ca -0.14 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 3ek4 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ek4 s PRO 105 N -3.43 2.77 0.25 1.61 0.04 -1.26 -5.07 135.00 129.91 3ek4 s PRO 105 Ca 0.55 1.39 0.04 0.00 0.04 0.00 0.00 61.00 63.01 3ek4 s PRO 105 Cb -0.16 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3ek4 s PRO 105 CO 0.68 -1.27 0.01 0.14 0.04 0.00 0.00 177.00 176.59 3ek4 s VAL 106 N -2.35 1.05 -0.31 -0.36 -7.23 -1.26 -4.87 120.40 105.07 3ek4 s VAL 106 Ca 0.67 -2.03 -0.22 0.00 -1.81 0.00 0.00 61.98 58.58 3ek4 s VAL 106 Cb -0.20 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 3ek4 s VAL 106 CO 0.42 -0.25 0.74 -0.76 -0.31 0.00 0.00 175.10 174.94 3ek4 s LEU 107 N -3.34 4.11 -0.46 1.32 1.43 -1.26 -5.02 118.68 115.45 3ek4 s LEU 107 Ca 0.30 0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 53.81 3ek4 s LEU 107 Cb 0.06 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 43.33 3ek4 s LEU 107 CO 0.10 -0.58 0.51 -0.76 0.23 0.00 0.00 176.35 175.85 3ek4 s LEU 108 N 2.86 5.01 0.54 1.79 1.43 -1.26 -3.66 118.68 125.39 3ek4 s LEU 108 Ca 0.30 -0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 3ek4 s LEU 108 Cb -0.14 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 3ek4 s LEU 108 CO 0.12 -0.72 0.96 -2.16 0.23 0.00 0.00 176.35 174.78 3ek4 s PRO 109 N 2.27 3.76 0.73 1.29 0.04 -1.26 -4.94 135.00 136.89 3ek4 s PRO 109 Ca 0.12 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 3ek4 s PRO 109 Cb -0.19 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.22 3ek4 s PRO 109 CO 0.12 -0.35 1.11 -0.51 0.04 0.00 0.00 177.00 177.41 3ek4 s ASP 110 N -3.58 4.62 0.22 6.66 1.01 -1.26 -3.35 116.67 121.00 3ek4 s ASP 110 Ca 0.55 1.94 -0.30 0.00 0.71 0.00 0.00 52.55 55.46 3ek4 s ASP 110 Cb -0.10 -2.54 -0.16 0.00 1.01 0.00 0.00 42.92 41.13 3ek4 s ASP 110 CO 0.41 -1.96 0.89 0.59 0.21 0.00 0.00 175.17 175.31 3ek4 n ASN 111 N -3.09 0.41 -1.01 0.27 4.13 -1.26 -4.78 115.26 109.93 3ek4 n ASN 111 Ca 0.10 1.15 -0.00 0.00 1.68 0.00 0.00 54.58 57.51 3ek4 n ASN 111 Cb 0.52 -1.14 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 3ek4 n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ek4 n HIS 112 N 0.50 -0.63 -3.98 3.10 1.44 -1.06 -4.78 115.22 109.81 3ek4 n HIS 112 Ca 0.14 -0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.75 3ek4 n HIS 112 Cb 0.27 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.31 3ek4 n HIS 112 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3ek4 s TYR 113 N -6.38 0.43 0.12 -1.40 -0.85 -0.76 -1.16 117.35 107.36 3ek4 s TYR 113 Ca 0.00 -0.78 0.07 0.00 -0.52 0.00 0.00 57.07 55.84 3ek4 s TYR 113 Cb -0.00 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.28 3ek4 s TYR 113 CO 0.00 -0.78 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.66 3ek4 s LEU 114 N -2.99 3.12 -0.02 -3.49 1.43 0.11 -1.31 118.68 115.54 3ek4 s LEU 114 Ca 0.20 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3ek4 s LEU 114 Cb 0.03 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.37 3ek4 s LEU 114 CO 0.03 0.16 -0.07 -0.55 0.23 0.00 0.00 176.35 176.14 3ek4 s SER 115 N -2.39 1.01 0.01 2.29 0.15 0.91 -0.61 113.70 115.06 3ek4 s SER 115 Ca 0.23 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.77 3ek4 s SER 115 Cb -0.11 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 63.93 3ek4 s SER 115 CO 0.15 0.05 -0.13 -0.89 1.20 0.00 0.00 173.24 173.62 3ek4 s THR 116 N 0.20 1.02 -0.06 6.45 2.01 -1.26 -0.87 115.64 123.13 3ek4 s THR 116 Ca -0.03 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.25 3ek4 s THR 116 Cb -0.08 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.57 3ek4 s THR 116 CO 0.00 0.16 -0.03 -1.10 -0.69 0.00 0.00 174.62 172.96 3ek4 s GLN 117 N -0.65 0.84 -0.05 4.92 -0.21 0.61 -5.00 119.66 120.11 3ek4 s GLN 117 Ca 0.03 -0.05 0.05 0.00 0.02 0.00 0.00 55.36 55.41 3ek4 s GLN 117 Cb -0.06 -0.98 -0.00 0.00 1.00 0.00 0.00 33.01 32.97 3ek4 s GLN 117 CO 0.00 -0.18 -0.19 -1.12 -2.12 0.00 0.00 175.29 171.68 3ek4 s SER 118 N 1.39 2.44 -0.13 5.90 0.01 -1.26 -0.32 113.70 121.72 3ek4 s SER 118 Ca -0.03 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.83 3ek4 s SER 118 Cb -0.13 -0.75 0.02 0.00 0.21 0.00 0.00 66.02 65.36 3ek4 s SER 118 CO -0.03 0.17 -0.15 -0.75 0.41 0.00 0.00 173.24 172.89 3ek4 s LYS 119 N 0.07 2.29 -0.10 12.44 2.36 0.91 -5.00 119.74 132.70 3ek4 s LYS 119 Ca -0.06 -0.56 -0.03 0.00 -2.55 0.00 0.00 55.97 52.77 3ek4 s LYS 119 Cb -0.13 -2.04 -0.03 0.00 -1.05 0.00 0.00 37.83 34.58 3ek4 s LYS 119 CO 0.03 -0.17 0.01 -0.51 1.55 0.00 0.00 175.35 176.26 3ek4 s LEU 120 N 1.31 3.58 0.35 5.43 1.02 -1.26 -0.52 118.68 128.59 3ek4 s LEU 120 Ca 0.01 0.12 -0.02 0.00 0.02 0.00 0.00 54.13 54.25 3ek4 s LEU 120 Cb -0.14 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.25 3ek4 s LEU 120 CO -0.07 0.34 0.48 -0.94 0.02 0.00 0.00 176.35 176.17 3ek4 s SER 121 N -0.63 0.93 0.07 2.29 1.04 -0.09 -4.70 113.70 112.61 3ek4 s SER 121 Ca 0.10 -1.49 0.07 0.00 0.48 0.00 0.00 55.95 55.11 3ek4 s SER 121 Cb -0.12 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 3ek4 s SER 121 CO 0.02 -1.31 -0.15 -0.54 0.98 0.00 0.00 173.24 172.24 3ek4 s LYS 122 N -3.02 2.07 -0.43 4.02 -0.14 -1.26 -1.85 119.74 119.12 3ek4 s LYS 122 Ca 0.30 -1.01 -0.17 0.00 -1.36 0.00 0.00 55.97 53.73 3ek4 s LYS 122 Cb -0.01 -2.22 0.03 0.00 -1.68 0.00 0.00 37.83 33.95 3ek4 s LYS 122 CO 0.20 0.53 0.44 0.34 -0.76 0.00 0.00 175.35 176.10 3ek4 s ASP 123 N -1.73 6.19 0.61 2.83 2.15 -1.26 -4.95 116.67 120.50 3ek4 s ASP 123 Ca 0.17 -0.76 0.38 0.00 0.43 0.00 0.00 52.55 52.77 3ek4 s ASP 123 Cb -0.11 -2.22 2.05 0.00 -0.30 0.00 0.00 42.92 42.35 3ek4 s ASP 123 CO 0.08 -0.60 2.15 1.55 -0.17 0.00 0.00 175.17 178.18 3ek4 h PRO 124 N 8.75 0.00 -0.65 4.34 0.13 -2.03 -0.88 132.00 141.65 3ek4 h PRO 124 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 3ek4 h PRO 124 Cb 1.11 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 3ek4 h PRO 124 CO 0.81 0.00 0.12 0.09 -0.23 0.00 0.00 178.00 178.79 3ek4 n ASN 125 N -2.89 5.42 -4.14 1.44 3.02 -1.26 -4.92 115.26 111.93 3ek4 n ASN 125 Ca -0.03 -3.06 -0.31 0.00 -0.03 0.00 0.00 54.58 51.16 3ek4 n ASN 125 Cb 0.13 -0.72 -0.17 0.00 -0.61 0.00 0.00 39.78 38.42 3ek4 n ASN 125 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ek4 s GLU 126 N -2.87 2.75 -0.01 3.52 2.56 -0.34 -5.01 118.70 119.29 3ek4 s GLU 126 Ca 0.55 -0.76 0.21 0.00 0.00 0.00 0.00 54.97 54.97 3ek4 s GLU 126 Cb 0.43 -2.21 -0.26 0.00 2.00 0.00 0.00 34.13 34.09 3ek4 s GLU 126 CO 0.15 0.02 0.71 1.63 -0.56 0.00 0.00 175.26 177.21 3ek4 n LYS 127 N 3.96 0.42 -2.15 4.30 5.02 -1.26 -4.89 118.16 123.56 3ek4 n LYS 127 Ca -0.20 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.71 3ek4 n LYS 127 Cb 0.52 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 3ek4 n LYS 127 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ek4 s ARG 128 N -3.13 3.76 -0.05 1.97 0.52 -1.26 -4.99 118.95 115.77 3ek4 s ARG 128 Ca 0.02 0.83 -0.30 0.00 -0.52 0.00 0.00 55.73 55.76 3ek4 s ARG 128 Cb 0.15 -2.12 -0.06 0.00 0.52 0.00 0.00 34.95 33.44 3ek4 s ARG 128 CO 0.85 -0.41 1.78 0.34 0.02 0.00 0.00 175.30 177.88 3ek4 s ASP 129 N -3.65 6.49 0.30 0.23 -1.08 -1.26 -4.93 116.67 112.77 3ek4 s ASP 129 Ca 0.57 2.28 -0.09 0.00 -0.52 0.00 0.00 52.55 54.78 3ek4 s ASP 129 Cb -0.10 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 3ek4 s ASP 129 CO 0.43 -1.07 0.51 -1.38 0.52 0.00 0.00 175.17 174.18 3ek4 s HIS 130 N 4.56 0.59 -0.15 -5.34 -3.43 -1.26 -0.58 115.29 109.68 3ek4 s HIS 130 Ca 0.79 -0.94 -0.06 0.00 -0.80 0.00 0.00 55.06 54.05 3ek4 s HIS 130 Cb -0.35 0.16 0.07 0.00 -1.43 0.00 0.00 32.58 31.03 3ek4 s HIS 130 CO 0.34 -1.11 0.33 1.41 -2.00 0.00 0.00 174.74 173.71 3ek4 s MET 131 N -3.48 0.26 -0.15 -0.38 1.75 -0.12 -4.96 119.30 112.21 3ek4 s MET 131 Ca 0.25 0.79 -0.15 0.00 -1.25 0.00 0.00 55.69 55.32 3ek4 s MET 131 Cb -0.01 0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.66 3ek4 s MET 131 CO 0.13 -0.22 0.36 0.08 -0.65 0.00 0.00 175.02 174.72 3ek4 s VAL 132 N 2.01 5.26 -0.07 10.11 1.01 -0.77 -0.16 120.40 137.79 3ek4 s VAL 132 Ca -0.04 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.67 3ek4 s VAL 132 Cb -0.11 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3ek4 s VAL 132 CO -0.10 0.36 -0.19 -0.22 0.00 0.00 0.00 175.10 174.95 3ek4 s LEU 133 N 0.55 1.91 -0.10 3.92 2.96 0.06 -0.91 118.68 127.08 3ek4 s LEU 133 Ca 0.20 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3ek4 s LEU 133 Cb -0.14 -1.13 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 3ek4 s LEU 133 CO 0.06 0.12 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.80 3ek4 s LEU 134 N 0.35 2.35 -0.08 -0.68 2.96 0.33 -1.84 118.68 122.07 3ek4 s LEU 134 Ca -0.14 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 3ek4 s LEU 134 Cb -0.16 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.09 3ek4 s LEU 134 CO 0.06 0.19 0.18 -0.70 -1.32 0.00 0.00 176.35 174.75 3ek4 s GLU 135 N 0.16 0.14 -0.12 1.98 2.12 -0.74 -0.06 118.70 122.18 3ek4 s GLU 135 Ca -0.11 0.38 0.03 0.00 0.36 0.00 0.00 54.97 55.63 3ek4 s GLU 135 Cb -0.16 -0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.13 3ek4 s GLU 135 CO 0.06 -0.13 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.37 3ek4 s PHE 136 N 0.97 2.62 -0.05 5.30 0.40 0.56 -0.55 117.98 127.23 3ek4 s PHE 136 Ca -0.07 -1.12 0.02 0.00 -0.60 0.00 0.00 56.93 55.16 3ek4 s PHE 136 Cb -0.09 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.69 3ek4 s PHE 136 CO -0.05 -0.47 -0.09 0.08 0.70 0.00 0.00 175.22 175.38 3ek4 s VAL 137 N 0.52 0.88 -0.01 -0.44 1.01 -0.30 -0.29 120.40 121.77 3ek4 s VAL 137 Ca -0.14 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3ek4 s VAL 137 Cb -0.17 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 3ek4 s VAL 137 CO 0.05 0.29 -0.06 -0.89 0.00 0.00 0.00 175.10 174.49 3ek4 s THR 138 N 0.62 0.49 0.38 3.92 2.01 -0.05 -1.58 115.64 121.44 3ek4 s THR 138 Ca -0.11 -0.26 -0.18 0.00 0.31 0.00 0.00 61.69 61.45 3ek4 s THR 138 Cb -0.14 -0.42 -0.10 0.00 0.01 0.00 0.00 72.50 71.85 3ek4 s THR 138 CO 0.02 0.14 0.85 0.00 -0.69 0.00 0.00 174.62 174.94 3ek4 s ALA 139 N -0.11 3.18 0.00 7.40 0.00 -0.75 -0.06 121.76 131.42 3ek4 s ALA 139 Ca 0.02 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3ek4 s ALA 139 Cb -0.03 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3ek4 s ALA 139 CO -0.00 0.22 0.00 0.00 0.00 0.00 0.00 175.76 175.98 3ek4 n ALA 140 N -0.52 0.00 -0.49 0.00 0.00 -0.42 -4.51 120.51 114.57 3ek4 n ALA 140 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3ek4 n ALA 140 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3ek4 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek4 n GLY 141 N 0.00 0.75 3.03 0.00 0.00 -1.26 -1.82 105.19 105.88 3ek4 n GLY 141 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3ek4 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek4 s ILE 142 N -2.59 1.64 0.90 -0.61 1.01 -1.26 -4.78 121.20 115.51 3ek4 s ILE 142 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3ek4 s ILE 142 Cb 0.00 -1.55 0.13 0.00 0.01 0.00 0.00 42.46 41.05 3ek4 s ILE 142 CO 0.00 0.43 1.09 0.42 0.00 0.00 0.00 174.94 176.89 3ek4 s THR 143 N 1.45 2.60 0.00 2.92 -4.23 -1.26 -4.74 115.64 112.38 3ek4 s THR 143 Ca 0.04 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 3ek4 s THR 143 Cb -0.13 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.99 3ek4 s THR 143 CO -0.11 -0.25 0.00 0.18 -0.54 0.00 0.00 174.62 173.90 3ek4 n LEU 144 N -3.88 0.00 0.00 4.79 4.77 0.69 -5.02 117.00 118.35 3ek4 n LEU 144 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3ek4 n LEU 144 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3ek4 n LEU 144 CO 0.56 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 177.14 3ek4 n VAL 159 N 0.00 0.00 -4.42 4.08 0.31 -1.26 -4.81 118.33 112.22 3ek4 n VAL 159 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 3ek4 n VAL 159 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 3ek4 n VAL 159 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3ek4 s SER 160 N 0.00 3.09 0.07 4.52 1.04 -1.26 -5.06 113.70 116.11 3ek4 s SER 160 Ca 0.00 -1.06 -0.35 0.00 0.48 0.00 0.00 55.95 55.01 3ek4 s SER 160 Cb 0.00 -0.22 -0.19 0.00 0.10 0.00 0.00 66.02 65.71 3ek4 s SER 160 CO 0.00 -0.12 1.59 0.11 0.98 0.00 0.00 173.24 175.80 3ek4 h LYS 161 N 2.36 -1.07 0.00 4.02 1.57 -1.91 -3.20 116.57 118.35 3ek4 h LYS 161 Ca -0.39 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3ek4 h LYS 161 Cb 1.24 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.79 3ek4 h LYS 161 CO 0.63 -0.71 0.00 0.78 -0.57 0.00 0.00 179.45 179.58 3ek4 h GLY 162 N -1.11 0.00 1.52 3.86 0.00 -1.70 -0.35 103.07 105.29 3ek4 h GLY 162 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 3ek4 h GLY 162 CO 0.14 0.00 -0.05 -2.09 0.00 0.00 0.00 176.54 174.53 3ek4 h GLU 163 N 0.00 0.58 0.00 4.80 4.81 -1.59 -2.80 114.58 120.38 3ek4 h GLU 163 Ca 0.00 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3ek4 h GLU 163 Cb 0.09 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ek4 h GLU 163 CO 0.00 0.64 -0.00 0.93 -0.73 0.00 0.00 179.01 179.85 3ek4 h GLU 164 N 0.55 0.00 0.00 1.92 5.08 -1.18 -2.19 114.58 118.76 3ek4 h GLU 164 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ek4 h GLU 164 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3ek4 h GLU 164 CO 0.02 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 3ek4 n LEU 165 N -3.14 0.00 -0.03 1.33 4.77 -1.06 -3.74 117.00 115.13 3ek4 n LEU 165 Ca -0.02 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3ek4 n LEU 165 Cb 0.11 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3ek4 n LEU 165 CO 0.22 -0.06 0.47 0.49 -1.33 0.00 0.00 177.39 177.18 3ek4 n PHE 166 N -1.26 0.02 0.27 -1.77 3.01 -0.82 -4.75 117.46 112.17 3ek4 n PHE 166 Ca 0.11 -0.43 0.15 0.00 1.01 0.00 0.00 57.45 58.29 3ek4 n PHE 166 Cb 0.17 -0.04 0.76 0.00 -0.01 0.00 0.00 39.48 40.36 3ek4 n PHE 166 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3ek4 h THR 167 N 0.10 0.32 -3.41 4.37 1.35 -1.70 -3.38 112.91 110.55 3ek4 h THR 167 Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3ek4 h THR 167 Cb 0.45 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3ek4 h THR 167 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 3ek4 n GLY 168 N -0.44 4.74 3.70 5.82 0.00 -1.26 -4.84 105.19 112.91 3ek4 n GLY 168 Ca -0.01 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3ek4 n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek4 s VAL 169 N -0.88 3.33 -0.11 1.61 1.01 -1.26 -4.56 120.40 119.54 3ek4 s VAL 169 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 61.98 62.81 3ek4 s VAL 169 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3ek4 s VAL 169 CO 0.00 0.02 -0.18 -0.69 0.00 0.00 0.00 175.10 174.25 3ek4 s VAL 170 N 2.12 2.66 0.43 2.92 1.01 0.12 -4.94 120.40 124.72 3ek4 s VAL 170 Ca 0.68 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 3ek4 s VAL 170 Cb -0.36 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.86 3ek4 s VAL 170 CO 0.29 0.54 1.15 -2.84 0.00 0.00 0.00 175.10 174.25 3ek4 s PRO 171 N 0.26 3.94 -0.07 2.72 0.02 -1.26 -0.81 135.00 139.80 3ek4 s PRO 171 Ca -0.12 1.76 0.04 0.00 0.02 0.00 0.00 61.00 62.70 3ek4 s PRO 171 Cb -0.16 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.82 3ek4 s PRO 171 CO 0.06 -0.39 -0.19 0.42 -0.33 0.00 0.00 177.00 176.57 3ek4 s ILE 172 N -1.51 1.63 -0.12 2.83 1.01 0.16 -1.43 121.20 123.78 3ek4 s ILE 172 Ca 0.60 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3ek4 s ILE 172 Cb -0.28 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3ek4 s ILE 172 CO 0.35 0.46 -0.07 -0.22 0.00 0.00 0.00 174.94 175.47 3ek4 s LEU 173 N 0.36 3.08 -0.10 2.97 2.96 -0.42 -1.75 118.68 125.78 3ek4 s LEU 173 Ca -0.14 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 3ek4 s LEU 173 Cb -0.16 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.84 3ek4 s LEU 173 CO 0.06 0.23 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.46 3ek4 s VAL 174 N -0.03 1.56 -0.18 1.68 1.01 0.19 -1.16 120.40 123.47 3ek4 s VAL 174 Ca -0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3ek4 s VAL 174 Cb -0.14 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.89 3ek4 s VAL 174 CO 0.03 0.45 -0.03 -0.70 0.00 0.00 0.00 175.10 174.85 3ek4 s GLU 175 N 0.80 1.23 -0.14 2.72 2.56 0.71 0.07 118.70 126.65 3ek4 s GLU 175 Ca -0.10 -0.54 0.02 0.00 0.00 0.00 0.00 54.97 54.35 3ek4 s GLU 175 Cb -0.16 -2.07 0.00 0.00 2.00 0.00 0.00 34.13 33.90 3ek4 s GLU 175 CO 0.01 -0.50 -0.20 -1.17 -0.56 0.00 0.00 175.26 172.84 3ek4 s LEU 176 N 1.67 2.24 -0.22 2.70 0.20 -0.22 0.01 118.68 125.05 3ek4 s LEU 176 Ca -0.01 -0.55 -0.06 0.00 0.69 0.00 0.00 54.13 54.20 3ek4 s LEU 176 Cb -0.16 -1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 44.09 3ek4 s LEU 176 CO -0.07 0.10 0.03 -1.81 -0.29 0.00 0.00 176.35 174.30 3ek4 s ASP 177 N 0.74 4.97 0.16 3.68 -0.00 -0.64 -0.32 116.67 125.26 3ek4 s ASP 177 Ca -0.08 -0.20 0.10 0.00 -0.00 0.00 0.00 52.55 52.36 3ek4 s ASP 177 Cb -0.16 -1.87 -0.04 0.00 -0.00 0.00 0.00 42.92 40.85 3ek4 s ASP 177 CO 0.00 0.02 -0.22 -0.83 -0.00 0.00 0.00 175.17 174.14 3ek4 s GLY 178 N 1.29 1.52 -0.19 0.21 0.00 0.58 -0.99 107.32 109.74 3ek4 s GLY 178 Ca 0.04 -1.51 -0.04 0.00 0.00 0.00 0.00 44.72 43.21 3ek4 s GLY 178 CO 0.02 -1.54 0.27 -0.35 0.00 0.00 0.00 173.10 171.50 3ek4 s ASP 179 N -2.48 0.85 -0.19 1.64 -1.08 0.84 -1.36 116.67 114.89 3ek4 s ASP 179 Ca 0.16 0.09 0.01 0.00 -0.52 0.00 0.00 52.55 52.29 3ek4 s ASP 179 Cb -0.08 0.63 0.04 0.00 -1.46 0.00 0.00 42.92 42.05 3ek4 s ASP 179 CO 0.08 -0.30 -0.13 -0.69 0.52 0.00 0.00 175.17 174.65 3ek4 s VAL 180 N 2.40 1.73 -1.12 1.11 1.01 -0.53 0.73 120.40 125.73 3ek4 s VAL 180 Ca 0.07 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3ek4 s VAL 180 Cb -0.15 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.50 3ek4 s VAL 180 CO -0.12 0.27 0.00 0.59 0.00 0.00 0.00 175.10 175.84 3ek4 n ASN 181 N 4.67 -3.94 0.00 3.32 4.13 0.12 -1.29 115.26 122.27 3ek4 n ASN 181 Ca -0.16 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.30 3ek4 n ASN 181 Cb 0.47 -3.38 0.00 0.00 -1.54 0.00 0.00 39.78 35.34 3ek4 n ASN 181 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ek4 n GLY 182 N -0.75 2.42 3.58 7.41 0.00 -1.26 -5.01 105.19 111.58 3ek4 n GLY 182 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3ek4 n GLY 182 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ek4 s HIS 183 N -2.24 2.35 0.52 1.61 3.76 -0.41 -5.03 115.29 115.85 3ek4 s HIS 183 Ca 0.00 0.50 -0.12 0.00 -0.15 0.00 0.00 55.06 55.29 3ek4 s HIS 183 Cb 0.00 -4.40 -0.06 0.00 1.11 0.00 0.00 32.58 29.23 3ek4 s HIS 183 CO 0.00 -1.91 0.92 0.15 -0.85 0.00 0.00 174.74 173.05 3ek4 s LYS 184 N 5.34 3.74 0.05 1.40 1.02 -1.26 -1.45 119.74 128.59 3ek4 s LYS 184 Ca 0.52 0.67 -0.27 0.00 0.02 0.00 0.00 55.97 56.92 3ek4 s LYS 184 Cb -0.11 -2.21 0.09 0.00 -0.52 0.00 0.00 37.83 35.08 3ek4 s LYS 184 CO 0.26 -0.30 0.76 -0.59 -0.92 0.00 0.00 175.35 174.56 3ek4 s PHE 185 N -2.75 -0.46 0.07 3.18 -0.71 -0.47 -4.90 117.98 111.95 3ek4 s PHE 185 Ca 0.54 0.38 0.08 0.00 -1.04 0.00 0.00 56.93 56.89 3ek4 s PHE 185 Cb -0.10 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 3ek4 s PHE 185 CO 0.40 -0.66 -0.22 -1.12 -1.34 0.00 0.00 175.22 172.28 3ek4 s SER 186 N -2.37 2.70 0.01 1.98 0.01 -1.26 -0.31 113.70 114.45 3ek4 s SER 186 Ca 0.01 -0.61 0.04 0.00 1.31 0.00 0.00 55.95 56.70 3ek4 s SER 186 Cb -0.01 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3ek4 s SER 186 CO -0.08 0.14 -0.14 -0.69 0.41 0.00 0.00 173.24 172.88 3ek4 s VAL 187 N -0.95 1.09 -0.05 3.43 1.01 0.56 -1.78 120.40 123.71 3ek4 s VAL 187 Ca 0.09 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3ek4 s VAL 187 Cb -0.09 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3ek4 s VAL 187 CO 0.03 0.21 -0.13 -0.55 0.00 0.00 0.00 175.10 174.66 3ek4 s SER 188 N -0.59 1.76 0.01 3.32 0.15 0.20 -1.05 113.70 117.49 3ek4 s SER 188 Ca 0.04 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.42 3ek4 s SER 188 Cb -0.06 -0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 63.63 3ek4 s SER 188 CO 0.00 0.08 -0.05 -0.83 1.20 0.00 0.00 173.24 173.64 3ek4 s GLY 189 N 0.32 0.27 0.03 9.45 0.00 0.11 0.08 107.32 117.59 3ek4 s GLY 189 Ca -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.34 3ek4 s GLY 189 CO 0.02 -0.29 -0.05 -1.83 0.00 0.00 0.00 173.10 170.95 3ek4 s GLU 190 N -0.41 0.43 0.00 2.90 -1.05 -0.82 0.57 118.70 120.32 3ek4 s GLU 190 Ca -0.01 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 3ek4 s GLU 190 Cb -0.03 -0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.60 3ek4 s GLU 190 CO -0.00 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.61 3ek4 n GLY 191 N 1.40 -0.66 3.00 -3.83 0.00 -0.72 -1.16 105.19 103.23 3ek4 n GLY 191 Ca -0.23 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 3ek4 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ek4 s GLU 192 N -1.07 0.33 -0.05 1.61 2.02 0.45 -0.66 118.70 121.32 3ek4 s GLU 192 Ca 0.00 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.53 3ek4 s GLU 192 Cb 0.00 0.12 -0.00 0.00 0.10 0.00 0.00 34.13 34.35 3ek4 s GLU 192 CO 0.00 -0.06 -0.19 0.20 0.02 0.00 0.00 175.26 175.23 3ek4 s GLY 193 N -1.32 1.04 -0.54 -1.39 0.00 0.01 -1.36 107.32 103.76 3ek4 s GLY 193 Ca -0.14 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 43.83 3ek4 s GLY 193 CO -0.00 -0.39 0.33 -0.35 0.00 0.00 0.00 173.10 172.69 3ek4 s ASP 194 N 0.06 4.02 0.38 1.64 3.68 0.85 -0.70 116.67 126.60 3ek4 s ASP 194 Ca -0.06 -3.16 0.10 0.00 2.13 0.00 0.00 52.55 51.56 3ek4 s ASP 194 Cb -0.13 -1.36 0.87 0.00 -1.45 0.00 0.00 42.92 40.85 3ek4 s ASP 194 CO 0.03 -0.19 1.91 0.00 0.13 0.00 0.00 175.17 177.05 3ek4 h ALA 195 N 6.16 1.88 -0.83 3.66 0.00 -1.75 -0.98 119.26 127.39 3ek4 h ALA 195 Ca 0.04 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.14 3ek4 h ALA 195 Cb 0.86 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3ek4 h ALA 195 CO 0.61 -0.06 0.56 1.15 0.00 0.00 0.00 179.25 181.50 3ek4 h THR 196 N 0.63 0.70 -0.18 0.00 2.02 -1.88 -1.76 112.91 112.43 3ek4 h THR 196 Ca 0.38 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3ek4 h THR 196 Cb 0.61 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3ek4 h THR 196 CO -0.15 0.06 0.00 -1.22 0.37 0.00 0.00 175.52 174.59 3ek4 n TYR 197 N -4.47 0.30 -3.68 3.16 4.02 -0.49 -4.92 117.16 111.08 3ek4 n TYR 197 Ca 0.17 -0.57 -0.28 0.00 -0.01 0.00 0.00 57.90 57.22 3ek4 n TYR 197 Cb 0.67 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.91 3ek4 n TYR 197 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ek4 n GLY 198 N -0.11 -0.47 3.71 2.72 0.00 -0.58 -4.64 105.19 105.83 3ek4 n GLY 198 Ca 0.08 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3ek4 n GLY 198 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ek4 s LYS 199 N -6.34 4.16 -0.04 1.61 2.20 -0.54 -1.15 119.74 119.63 3ek4 s LYS 199 Ca 0.52 -0.23 0.06 0.00 -0.36 0.00 0.00 55.97 55.96 3ek4 s LYS 199 Cb -0.28 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 3ek4 s LYS 199 CO 0.65 0.23 -0.21 -0.51 -0.36 0.00 0.00 175.35 175.15 3ek4 s LEU 200 N 0.56 2.32 -0.07 5.43 1.43 0.29 -0.11 118.68 128.53 3ek4 s LEU 200 Ca 0.08 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3ek4 s LEU 200 Cb -0.12 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.70 3ek4 s LEU 200 CO -0.00 0.31 -0.00 0.42 0.23 0.00 0.00 176.35 177.30 3ek4 s THR 201 N -0.51 0.38 0.00 5.49 -4.23 -0.46 -1.80 115.64 114.51 3ek4 s THR 201 Ca 0.07 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.59 3ek4 s THR 201 Cb -0.11 -0.53 0.01 0.00 1.34 0.00 0.00 72.50 73.21 3ek4 s THR 201 CO 0.01 0.26 0.21 -0.76 -0.54 0.00 0.00 174.62 173.79 3ek4 s LEU 202 N 1.89 1.28 -0.09 4.79 1.43 -0.77 -0.41 118.68 126.80 3ek4 s LEU 202 Ca 0.04 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3ek4 s LEU 202 Cb -0.12 0.93 0.00 0.00 0.03 0.00 0.00 46.19 47.02 3ek4 s LEU 202 CO -0.05 -0.43 -0.23 -0.75 0.23 0.00 0.00 176.35 175.12 3ek4 s LYS 203 N -1.60 2.93 -0.08 1.70 2.20 -0.31 -0.76 119.74 123.83 3ek4 s LYS 203 Ca -0.13 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.66 3ek4 s LYS 203 Cb -0.06 -2.23 -0.02 0.00 -1.51 0.00 0.00 37.83 34.01 3ek4 s LYS 203 CO 0.01 0.18 -0.14 -0.06 -0.36 0.00 0.00 175.35 174.99 3ek4 s PHE 204 N 0.33 2.74 -0.06 4.03 0.40 0.77 -1.94 117.98 124.25 3ek4 s PHE 204 Ca -0.18 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 55.88 3ek4 s PHE 204 Cb -0.18 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 3ek4 s PHE 204 CO 0.08 0.05 -0.23 0.42 0.70 0.00 0.00 175.22 176.24 3ek4 s ILE 205 N -0.35 2.26 -0.50 0.64 -1.09 0.11 -0.95 121.20 121.33 3ek4 s ILE 205 Ca 0.03 -1.00 -0.25 0.00 -2.23 0.00 0.00 60.65 57.21 3ek4 s ILE 205 Cb -0.12 -1.84 0.03 0.00 -1.58 0.00 0.00 42.46 38.95 3ek4 s ILE 205 CO 0.02 0.57 0.95 0.00 -1.23 0.00 0.00 174.94 175.26 3ek4 n THR 207 N 6.38 0.00 -0.03 0.00 -2.24 -0.74 -3.15 114.28 114.50 3ek4 n THR 207 Ca 0.05 -0.12 0.06 0.00 -2.27 0.00 0.00 64.05 61.78 3ek4 n THR 207 Cb 0.48 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.86 3ek4 n THR 207 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ek4 n THR 208 N -0.47 0.77 0.00 4.28 -2.24 -1.25 -4.95 114.28 110.42 3ek4 n THR 208 Ca 0.20 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3ek4 n THR 208 Cb 0.24 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3ek4 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ek4 n GLY 209 N 0.69 0.98 3.78 3.38 0.00 -1.19 -4.97 105.19 107.85 3ek4 n GLY 209 Ca 0.12 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 3ek4 n GLY 209 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ek4 s LYS 210 N 0.00 4.17 -0.09 1.61 2.47 -1.26 -4.32 119.74 122.31 3ek4 s LYS 210 Ca 0.00 0.46 -0.30 0.00 -1.56 0.00 0.00 55.97 54.57 3ek4 s LYS 210 Cb 0.00 -3.33 -0.02 0.00 -1.46 0.00 0.00 37.83 33.02 3ek4 s LYS 210 CO 0.00 0.42 1.06 -1.17 0.16 0.00 0.00 175.35 175.82 3ek4 s LEU 211 N -0.23 4.25 0.00 5.43 2.96 -1.26 -4.95 118.68 124.88 3ek4 s LEU 211 Ca 0.25 1.60 0.31 0.00 -0.22 0.00 0.00 54.13 56.07 3ek4 s LEU 211 Cb -0.16 -3.56 1.70 0.00 0.50 0.00 0.00 46.19 44.67 3ek4 s LEU 211 CO 0.12 -0.49 2.11 -0.81 -1.32 0.00 0.00 176.35 175.96 3ek4 n PRO 212 N 5.07 1.14 -4.24 0.98 -0.04 -1.26 -4.81 135.00 131.83 3ek4 n PRO 212 Ca 0.09 -0.20 -0.15 0.00 -0.04 0.00 0.00 63.50 63.20 3ek4 n PRO 212 Cb 0.48 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 3ek4 n PRO 212 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ek4 s VAL 213 N -2.00 1.21 0.29 0.52 -7.23 -1.26 -4.52 120.40 107.41 3ek4 s VAL 213 Ca 0.45 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.38 3ek4 s VAL 213 Cb 0.21 -1.73 -0.10 0.00 0.56 0.00 0.00 36.38 35.32 3ek4 s VAL 213 CO 0.36 -0.65 1.28 -2.84 -0.31 0.00 0.00 175.10 172.94 3ek4 s PRO 214 N -3.40 4.40 0.26 4.82 0.02 -1.26 -4.94 135.00 134.91 3ek4 s PRO 214 Ca 0.14 2.12 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 3ek4 s PRO 214 Cb 0.00 -3.12 0.56 0.00 0.02 0.00 0.00 34.50 31.96 3ek4 s PRO 214 CO 0.01 -0.15 1.73 -1.49 -0.33 0.00 0.00 177.00 176.77 3ek4 h TRP 215 N 4.02 0.62 -0.75 6.54 4.06 -1.96 -1.83 115.95 126.66 3ek4 h TRP 215 Ca -0.47 0.04 0.18 0.00 2.06 0.00 0.00 58.89 60.69 3ek4 h TRP 215 Cb 1.22 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 29.19 3ek4 h TRP 215 CO 0.58 0.06 0.51 -1.35 -3.56 0.00 0.00 178.44 174.68 3ek4 h PRO 216 N 0.48 0.23 0.00 0.49 0.11 -1.88 -1.56 132.00 129.87 3ek4 h PRO 216 Ca 0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3ek4 h PRO 216 Cb 0.77 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3ek4 h PRO 216 CO -0.44 0.15 0.00 0.25 -0.21 0.00 0.00 178.00 177.76 3ek4 n THR 217 N -4.42 0.81 0.13 -1.15 -2.24 -0.69 -2.84 114.28 103.89 3ek4 n THR 217 Ca 0.15 0.20 0.09 0.00 -2.27 0.00 0.00 64.05 62.22 3ek4 n THR 217 Cb 0.65 -0.95 -0.14 0.00 -2.10 0.00 0.00 70.33 67.80 3ek4 n THR 217 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ek4 n LEU 218 N -1.42 0.14 -0.18 3.22 4.77 -0.59 -4.68 117.00 118.27 3ek4 n LEU 218 Ca 0.05 -0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 3ek4 n LEU 218 Cb 0.16 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 3ek4 n LEU 218 CO 0.13 0.03 0.74 0.58 -1.33 0.00 0.00 177.39 177.54 3ek4 h VAL 219 N 0.00 0.40 0.00 4.08 2.07 -1.58 0.22 116.25 121.44 3ek4 h VAL 219 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3ek4 h VAL 219 Cb 0.77 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3ek4 h VAL 219 CO 0.00 0.00 -0.22 0.71 0.02 0.00 0.00 177.57 178.08 3ek4 h THR 220 N -0.04 0.65 0.12 2.57 1.35 -1.83 -2.88 112.91 112.85 3ek4 h THR 220 Ca 0.26 -1.01 -0.18 0.00 -0.55 0.00 0.00 66.41 64.94 3ek4 h THR 220 Cb 0.43 1.65 0.02 0.00 -1.73 0.00 0.00 68.15 68.52 3ek4 h THR 220 CO -0.58 0.22 -0.81 0.74 -0.25 0.00 0.00 175.52 174.84 3ek4 h THR 221 N 0.00 1.48 0.00 6.82 2.02 -1.22 -3.46 112.91 118.55 3ek4 h THR 221 Ca -0.00 -2.50 -0.05 0.00 0.77 0.00 0.00 66.41 64.63 3ek4 h THR 221 Cb 0.63 3.15 -0.02 0.00 -1.74 0.00 0.00 68.15 70.18 3ek4 h THR 221 CO 0.03 0.70 0.15 0.18 0.37 0.00 0.00 175.52 176.94 3ek4 n LEU 222 N -4.16 1.80 0.00 2.58 4.77 0.54 -5.04 117.00 117.49 3ek4 n LEU 222 Ca -0.15 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 3ek4 n LEU 222 Cb 0.79 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3ek4 n LEU 222 CO 0.46 0.28 0.00 1.33 -1.33 0.00 0.00 177.39 178.12 3ek4 n VAL 226 N 2.57 0.00 0.84 4.08 0.24 -1.26 -5.00 118.33 119.80 3ek4 n VAL 226 Ca 0.11 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.51 3ek4 n VAL 226 Cb 0.28 0.00 0.48 0.00 -1.47 0.00 0.00 33.84 33.13 3ek4 n VAL 226 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek4 n GLN 227 N 0.00 0.13 0.00 7.34 6.02 -1.26 -1.28 117.38 128.33 3ek4 n GLN 227 Ca 0.00 0.12 0.05 0.00 -0.01 0.00 0.00 57.00 57.16 3ek4 n GLN 227 Cb 0.00 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 29.99 3ek4 n GLN 227 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ek4 n PHE 229 N -1.42 1.02 -2.33 0.00 3.72 -0.40 -4.64 117.46 113.41 3ek4 n PHE 229 Ca 0.03 -0.45 -0.38 0.00 -0.05 0.00 0.00 57.45 56.60 3ek4 n PHE 229 Cb 0.10 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 3ek4 n PHE 229 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3ek4 s SER 230 N -0.92 6.52 -0.55 4.37 0.01 -0.88 -4.08 113.70 118.17 3ek4 s SER 230 Ca 0.42 2.29 -0.26 0.00 1.31 0.00 0.00 55.95 59.71 3ek4 s SER 230 Cb 0.24 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.90 3ek4 s SER 230 CO 0.25 -0.67 1.03 -0.60 0.41 0.00 0.00 173.24 173.65 3ek4 s ARG 231 N -2.37 3.42 -0.20 12.44 3.52 -0.61 -4.76 118.95 130.39 3ek4 s ARG 231 Ca 0.58 -0.03 -0.26 0.00 -0.13 0.00 0.00 55.73 55.89 3ek4 s ARG 231 Cb -0.29 -4.03 -0.01 0.00 -1.56 0.00 0.00 34.95 29.07 3ek4 s ARG 231 CO 0.36 -1.53 0.87 0.71 -0.81 0.00 0.00 175.30 174.90 3ek4 s TYR 232 N 4.29 3.37 0.84 5.12 1.51 -1.26 -1.80 117.35 129.42 3ek4 s TYR 232 Ca 0.36 1.26 -0.11 0.00 -1.01 0.00 0.00 57.07 57.56 3ek4 s TYR 232 Cb -0.10 -3.07 0.10 0.00 -0.11 0.00 0.00 41.96 38.77 3ek4 s TYR 232 CO 0.22 -0.33 1.15 -2.14 -1.11 0.00 0.00 175.55 173.33 3ek4 s PRO 233 N 2.55 1.58 0.42 -1.71 0.02 -1.26 -4.74 135.00 131.86 3ek4 s PRO 233 Ca 0.38 1.50 0.18 0.00 0.02 0.00 0.00 61.00 63.08 3ek4 s PRO 233 Cb -0.16 -1.79 1.10 0.00 0.02 0.00 0.00 34.50 33.66 3ek4 s PRO 233 CO 0.10 -2.20 1.86 -0.44 -0.33 0.00 0.00 177.00 175.98 3ek4 h ASP 234 N -1.33 0.39 0.50 2.53 3.32 -1.99 0.16 116.42 120.00 3ek4 h ASP 234 Ca -0.44 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3ek4 h ASP 234 Cb 1.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3ek4 h ASP 234 CO 0.46 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 3ek4 n HIS 235 N -4.50 0.00 -0.52 4.55 1.44 -1.26 -3.70 115.22 111.23 3ek4 n HIS 235 Ca 0.19 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.94 3ek4 n HIS 235 Cb 0.70 -0.28 0.05 0.00 0.12 0.00 0.00 29.99 30.59 3ek4 n HIS 235 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3ek4 n MET 236 N -1.28 2.12 0.09 -1.40 2.81 0.55 -4.77 117.12 115.24 3ek4 n MET 236 Ca 0.13 -1.85 0.09 0.00 -1.81 0.00 0.00 57.70 54.26 3ek4 n MET 236 Cb 0.22 -1.15 0.55 0.00 -0.71 0.00 0.00 33.22 32.12 3ek4 n MET 236 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3ek4 h LYS 237 N 0.00 0.24 0.00 0.03 1.79 -1.60 -1.40 116.57 115.63 3ek4 h LYS 237 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3ek4 h LYS 237 Cb 0.74 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 3ek4 h LYS 237 CO 0.00 0.16 0.00 0.00 -1.08 0.00 0.00 179.45 178.53 3ek4 n GLN 238 N -4.49 0.70 -0.14 3.15 0.00 -1.26 -3.06 117.38 112.27 3ek4 n GLN 238 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 57.00 57.09 3ek4 n GLN 238 Cb 0.19 -1.46 0.13 0.00 0.00 0.00 0.00 30.24 29.11 3ek4 n GLN 238 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3ek4 n HIS 239 N -0.96 0.37 -2.86 2.61 8.25 -0.53 -4.70 115.22 117.40 3ek4 n HIS 239 Ca 0.15 -0.36 -0.44 0.00 -0.26 0.00 0.00 57.72 56.82 3ek4 n HIS 239 Cb 0.07 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 3ek4 n HIS 239 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ek4 s ASP 240 N -1.00 6.84 0.14 0.41 -1.08 -1.17 -4.52 116.67 116.30 3ek4 s ASP 240 Ca 0.22 -2.47 -0.17 0.00 -0.52 0.00 0.00 52.55 49.60 3ek4 s ASP 240 Cb 0.12 -2.44 -0.00 0.00 -1.46 0.00 0.00 42.92 39.14 3ek4 s ASP 240 CO 0.17 -0.97 1.79 0.15 0.52 0.00 0.00 175.17 176.82 3ek4 h PHE 241 N 8.00 0.36 -0.05 -5.34 3.57 -1.90 -3.17 116.94 118.42 3ek4 h PHE 241 Ca 0.27 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.82 3ek4 h PHE 241 Cb 0.94 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3ek4 h PHE 241 CO 1.18 0.22 -0.37 0.74 -2.23 0.00 0.00 178.31 177.85 3ek4 h PHE 242 N 0.40 -1.04 0.00 0.41 0.04 -1.88 -1.54 116.94 113.32 3ek4 h PHE 242 Ca 0.13 0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.86 3ek4 h PHE 242 Cb -0.01 0.46 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3ek4 h PHE 242 CO -0.07 -0.45 -0.33 0.87 -0.60 0.00 0.00 178.31 177.72 3ek4 h LYS 243 N -0.50 0.00 0.00 1.51 1.57 -1.82 -2.89 116.57 114.44 3ek4 h LYS 243 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3ek4 h LYS 243 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3ek4 h LYS 243 CO -0.32 0.33 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 3ek4 h SER 244 N 0.00 0.00 1.26 0.86 4.64 -1.27 -2.40 113.55 116.65 3ek4 h SER 244 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ek4 h SER 244 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3ek4 h SER 244 CO 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 3ek4 h ALA 245 N 2.04 1.00 -2.31 5.18 0.00 -1.19 -3.41 119.26 120.56 3ek4 h ALA 245 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3ek4 h ALA 245 Cb 0.65 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.46 3ek4 h ALA 245 CO 0.00 0.00 0.11 -1.64 0.00 0.00 0.00 179.25 177.72 3ek4 s MET 246 N -3.35 3.63 0.27 0.00 1.00 -0.90 -0.22 119.30 119.72 3ek4 s MET 246 Ca 0.05 0.29 0.12 0.00 0.00 0.00 0.00 55.69 56.15 3ek4 s MET 246 Cb 0.09 -2.39 0.32 0.00 0.00 0.00 0.00 34.83 32.85 3ek4 s MET 246 CO 0.54 -0.13 1.58 -1.00 0.00 0.00 0.00 175.02 176.01 3ek4 h PRO 247 N 0.64 0.00 -0.01 2.03 0.13 -1.89 -3.28 132.00 129.62 3ek4 h PRO 247 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ek4 h PRO 247 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ek4 h PRO 247 CO 0.63 0.62 -0.00 0.93 -0.23 0.00 0.00 178.00 179.94 3ek4 h GLU 248 N 0.00 0.01 0.00 0.86 3.07 -1.90 -2.27 114.58 114.35 3ek4 h GLU 248 Ca -0.01 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3ek4 h GLU 248 Cb 1.18 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3ek4 h GLU 248 CO 0.08 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.11 3ek4 n GLY 249 N -1.52 -1.77 3.26 -3.84 0.00 0.69 -4.66 105.19 97.35 3ek4 n GLY 249 Ca -0.03 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 3ek4 n GLY 249 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ek4 s TYR 250 N 0.00 0.40 -0.11 1.61 -0.85 -0.18 -1.29 117.35 116.93 3ek4 s TYR 250 Ca 0.00 -0.79 -0.16 0.00 -0.52 0.00 0.00 57.07 55.60 3ek4 s TYR 250 Cb 0.00 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 3ek4 s TYR 250 CO 0.00 -0.62 0.39 0.42 -1.52 0.00 0.00 175.55 174.22 3ek4 s ILE 251 N -3.94 5.21 -0.20 -3.49 -1.09 0.55 -1.12 121.20 117.12 3ek4 s ILE 251 Ca 0.14 0.77 0.01 0.00 -2.23 0.00 0.00 60.65 59.34 3ek4 s ILE 251 Cb 0.05 -3.72 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 3ek4 s ILE 251 CO -0.04 0.40 -0.18 -1.58 -1.23 0.00 0.00 174.94 172.32 3ek4 s GLN 252 N 0.23 2.88 -0.06 2.79 0.74 -0.35 -1.32 119.66 124.57 3ek4 s GLN 252 Ca 0.22 -0.91 0.05 0.00 0.05 0.00 0.00 55.36 54.76 3ek4 s GLN 252 Cb -0.15 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 3ek4 s GLN 252 CO 0.08 -0.27 -0.20 -1.21 -0.55 0.00 0.00 175.29 173.15 3ek4 s GLU 253 N 1.27 2.59 0.07 1.67 2.02 0.77 -1.40 118.70 125.69 3ek4 s GLU 253 Ca 0.03 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.23 3ek4 s GLU 253 Cb -0.14 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 3ek4 s GLU 253 CO -0.11 0.47 -0.07 1.03 0.02 0.00 0.00 175.26 176.60 3ek4 s ARG 254 N -0.36 0.70 -0.03 1.61 0.52 -0.98 -0.20 118.95 120.21 3ek4 s ARG 254 Ca 0.03 -1.08 0.05 0.00 -0.52 0.00 0.00 55.73 54.21 3ek4 s ARG 254 Cb -0.12 -0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.09 3ek4 s ARG 254 CO 0.02 0.01 -0.19 0.99 0.02 0.00 0.00 175.30 176.15 3ek4 s THR 255 N -2.66 2.68 -0.16 0.02 2.01 -0.58 -1.61 115.64 115.34 3ek4 s THR 255 Ca 0.02 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.13 3ek4 s THR 255 Cb -0.01 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.51 3ek4 s THR 255 CO -0.03 0.57 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.73 3ek4 s ILE 256 N -0.71 1.47 -0.43 1.82 1.01 0.13 -1.64 121.20 122.86 3ek4 s ILE 256 Ca 0.11 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 3ek4 s ILE 256 Cb -0.10 -1.48 0.07 0.00 0.01 0.00 0.00 42.46 40.95 3ek4 s ILE 256 CO 0.00 0.31 0.30 -0.36 0.00 0.00 0.00 174.94 175.19 3ek4 s PHE 257 N 1.50 3.30 -0.09 3.97 0.40 0.34 -0.71 117.98 126.69 3ek4 s PHE 257 Ca 0.02 -1.31 -0.30 0.00 -0.60 0.00 0.00 56.93 54.75 3ek4 s PHE 257 Cb -0.14 -2.98 -0.02 0.00 0.51 0.00 0.00 43.02 40.39 3ek4 s PHE 257 CO -0.09 -0.82 1.13 -0.06 0.70 0.00 0.00 175.22 176.08 3ek4 s PHE 258 N 1.50 3.28 0.29 0.36 0.08 -0.53 -0.94 117.98 122.01 3ek4 s PHE 258 Ca 0.03 1.34 -0.30 0.00 0.12 0.00 0.00 56.93 58.12 3ek4 s PHE 258 Cb -0.23 -3.34 -0.11 0.00 -0.57 0.00 0.00 43.02 38.77 3ek4 s PHE 258 CO 0.04 -0.93 1.57 0.21 -0.10 0.00 0.00 175.22 176.01 3ek4 s LYS 259 N 2.33 4.14 -1.56 0.44 2.20 0.13 -1.73 119.74 125.69 3ek4 s LYS 259 Ca 0.52 2.54 -0.15 0.00 -0.36 0.00 0.00 55.97 58.53 3ek4 s LYS 259 Cb -0.22 -3.03 0.10 0.00 -1.51 0.00 0.00 37.83 33.17 3ek4 s LYS 259 CO 0.19 -0.60 0.96 -0.25 -0.36 0.00 0.00 175.35 175.28 3ek4 n ASP 260 N 2.16 -4.59 -0.15 1.43 8.00 -1.26 -4.82 116.55 117.32 3ek4 n ASP 260 Ca 0.08 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.76 3ek4 n ASP 260 Cb 0.38 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.77 3ek4 n ASP 260 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ek4 n ASP 261 N -2.81 0.00 -3.52 -2.24 -0.08 -0.71 -4.98 116.55 102.21 3ek4 n ASP 261 Ca 0.05 -0.15 -0.24 0.00 -1.51 0.00 0.00 54.79 52.94 3ek4 n ASP 261 Cb 0.52 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.15 3ek4 n ASP 261 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ek4 n GLY 262 N 0.00 -1.52 3.12 0.27 0.00 -1.19 -4.70 105.19 101.16 3ek4 n GLY 262 Ca 0.00 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.17 3ek4 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek4 s ASN 263 N -4.86 1.31 -0.03 1.61 2.20 -1.08 -1.46 114.94 112.63 3ek4 s ASN 263 Ca 0.61 -0.56 -0.02 0.00 -0.94 0.00 0.00 52.86 51.94 3ek4 s ASN 263 Cb -0.02 -0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.17 3ek4 s ASN 263 CO 0.43 -0.12 0.12 -0.31 -2.94 0.00 0.00 177.10 174.28 3ek4 s TYR 264 N -1.26 3.43 -0.02 1.54 2.02 0.12 -2.37 117.35 120.81 3ek4 s TYR 264 Ca -0.05 0.31 0.07 0.00 -0.37 0.00 0.00 57.07 57.03 3ek4 s TYR 264 Cb -0.10 -1.80 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 3ek4 s TYR 264 CO 0.01 0.61 -0.25 0.15 -1.57 0.00 0.00 175.55 174.51 3ek4 s LYS 265 N -1.67 2.07 0.00 -0.62 1.02 0.37 0.23 119.74 121.14 3ek4 s LYS 265 Ca 0.23 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.34 3ek4 s LYS 265 Cb -0.12 -1.97 -0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3ek4 s LYS 265 CO 0.14 0.51 -0.01 0.95 -0.92 0.00 0.00 175.35 176.02 3ek4 s THR 266 N -0.53 0.06 -0.09 2.17 -4.23 -0.63 -1.15 115.64 111.24 3ek4 s THR 266 Ca 0.08 -0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 3ek4 s THR 266 Cb -0.10 -0.06 0.02 0.00 1.34 0.00 0.00 72.50 73.69 3ek4 s THR 266 CO -0.00 0.00 -0.13 -0.60 -0.54 0.00 0.00 174.62 173.35 3ek4 s ARG 267 N -0.06 1.86 0.04 3.99 3.52 -0.61 -2.31 118.95 125.38 3ek4 s ARG 267 Ca -0.00 -0.44 0.04 0.00 -0.13 0.00 0.00 55.73 55.20 3ek4 s ARG 267 Cb -0.01 -1.61 -0.02 0.00 -1.56 0.00 0.00 34.95 31.76 3ek4 s ARG 267 CO -0.00 -0.05 -0.12 0.00 -0.81 0.00 0.00 175.30 174.32 3ek4 s ALA 268 N 0.94 1.00 -0.21 6.12 0.00 -0.49 -0.79 121.76 128.33 3ek4 s ALA 268 Ca -0.09 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3ek4 s ALA 268 Cb -0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3ek4 s ALA 268 CO 0.00 0.17 0.02 -1.21 0.00 0.00 0.00 175.76 174.74 3ek4 s GLU 269 N -1.11 3.65 -0.23 0.00 2.02 0.03 -1.21 118.70 121.85 3ek4 s GLU 269 Ca -0.00 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.50 3ek4 s GLU 269 Cb -0.08 -3.14 0.04 0.00 0.10 0.00 0.00 34.13 31.05 3ek4 s GLU 269 CO 0.01 -0.01 -0.13 0.08 0.02 0.00 0.00 175.26 175.23 3ek4 s VAL 270 N 1.08 2.29 0.19 2.63 1.01 -0.28 -1.60 120.40 125.73 3ek4 s VAL 270 Ca 0.03 -1.24 -0.22 0.00 0.00 0.00 0.00 61.98 60.54 3ek4 s VAL 270 Cb -0.14 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.13 3ek4 s VAL 270 CO 0.02 0.23 0.64 -1.59 0.00 0.00 0.00 175.10 174.40 3ek4 s LYS 271 N 1.22 1.42 -0.00 2.72 -2.85 -0.89 -1.01 119.74 120.36 3ek4 s LYS 271 Ca -0.02 -0.62 -0.30 0.00 -1.00 0.00 0.00 55.97 54.03 3ek4 s LYS 271 Cb -0.17 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 3ek4 s LYS 271 CO -0.08 -0.63 1.07 -0.06 0.10 0.00 0.00 175.35 175.75 3ek4 s PHE 272 N -3.79 3.53 -0.36 1.78 0.08 -0.85 -0.58 117.98 117.78 3ek4 s PHE 272 Ca 0.04 1.52 -0.00 0.00 0.12 0.00 0.00 56.93 58.61 3ek4 s PHE 272 Cb -0.02 -3.25 0.09 0.00 -0.57 0.00 0.00 43.02 39.27 3ek4 s PHE 272 CO -0.07 -0.54 0.10 -1.21 -0.10 0.00 0.00 175.22 173.40 3ek4 s GLU 273 N 1.27 1.91 6.09 0.44 2.02 0.54 -4.89 118.70 126.09 3ek4 s GLU 273 Ca 0.54 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.81 3ek4 s GLU 273 Cb -0.23 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.64 3ek4 s GLU 273 CO 0.26 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 175.03 3ek4 n GLY 274 N 4.48 2.18 0.00 -1.39 0.00 -1.26 -2.14 105.19 107.06 3ek4 n GLY 274 Ca -0.03 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3ek4 n GLY 274 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ek4 n ASP 275 N 3.59 0.00 -4.69 1.61 5.75 -1.26 -4.87 116.55 116.69 3ek4 n ASP 275 Ca 0.00 0.33 -0.35 0.00 -0.01 0.00 0.00 54.79 54.76 3ek4 n ASP 275 Cb 0.00 -0.44 -0.09 0.00 -1.03 0.00 0.00 41.12 39.56 3ek4 n ASP 275 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3ek4 s THR 276 N -2.87 5.24 -0.24 2.12 2.01 -0.91 -4.44 115.64 116.54 3ek4 s THR 276 Ca 0.15 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 3ek4 s THR 276 Cb 0.16 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.28 3ek4 s THR 276 CO 0.43 0.42 1.14 -0.22 -0.69 0.00 0.00 174.62 175.70 3ek4 s LEU 277 N 0.56 4.07 -0.12 4.42 1.98 -0.51 -0.33 118.68 128.74 3ek4 s LEU 277 Ca 0.07 1.38 0.00 0.00 -2.89 0.00 0.00 54.13 52.70 3ek4 s LEU 277 Cb -0.12 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.17 3ek4 s LEU 277 CO 0.00 -0.78 -0.13 -0.69 -1.89 0.00 0.00 176.35 172.86 3ek4 s VAL 278 N 3.50 3.03 -0.37 1.68 1.01 0.25 -1.30 120.40 128.21 3ek4 s VAL 278 Ca 0.49 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3ek4 s VAL 278 Cb -0.16 -2.26 0.09 0.00 0.00 0.00 0.00 36.38 34.05 3ek4 s VAL 278 CO 0.12 0.53 0.12 0.21 0.00 0.00 0.00 175.10 176.08 3ek4 s ASN 279 N 0.20 5.06 -0.27 3.32 2.47 -0.31 -2.09 114.94 123.32 3ek4 s ASN 279 Ca -0.08 -1.86 -0.09 0.00 0.42 0.00 0.00 52.86 51.25 3ek4 s ASN 279 Cb -0.15 -1.76 -0.03 0.00 -1.45 0.00 0.00 41.25 37.87 3ek4 s ASN 279 CO 0.05 -0.44 0.11 -0.13 -3.72 0.00 0.00 177.10 172.98 3ek4 s ARG 280 N 1.12 3.61 -0.01 0.43 0.52 -0.62 -0.21 118.95 123.78 3ek4 s ARG 280 Ca 0.05 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.79 3ek4 s ARG 280 Cb -0.21 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 3ek4 s ARG 280 CO -0.04 -0.25 -0.18 0.42 0.02 0.00 0.00 175.30 175.27 3ek4 s ILE 281 N 1.64 1.40 -0.10 1.52 1.01 0.10 -0.79 121.20 125.98 3ek4 s ILE 281 Ca 0.06 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 3ek4 s ILE 281 Cb -0.16 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 3ek4 s ILE 281 CO 0.06 0.38 -0.06 -1.61 0.00 0.00 0.00 174.94 173.71 3ek4 s GLU 282 N -0.45 3.09 -0.10 2.79 2.02 0.03 -1.62 118.70 124.46 3ek4 s GLU 282 Ca 0.07 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.53 3ek4 s GLU 282 Cb -0.07 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.47 3ek4 s GLU 282 CO -0.01 0.51 -0.08 -1.17 0.02 0.00 0.00 175.26 174.53 3ek4 s LEU 283 N -0.39 1.29 -0.17 1.80 0.20 -0.16 -1.57 118.68 119.68 3ek4 s LEU 283 Ca 0.06 -0.29 -0.02 0.00 0.69 0.00 0.00 54.13 54.57 3ek4 s LEU 283 Cb -0.12 -0.81 -0.01 0.00 -0.43 0.00 0.00 46.19 44.82 3ek4 s LEU 283 CO 0.02 -0.08 -0.10 -0.75 -0.29 0.00 0.00 176.35 175.16 3ek4 s LYS 284 N 1.42 3.36 -0.09 1.98 2.20 -0.30 -0.11 119.74 128.20 3ek4 s LYS 284 Ca -0.01 -0.66 0.04 0.00 -0.36 0.00 0.00 55.97 54.98 3ek4 s LYS 284 Cb -0.13 -2.80 -0.01 0.00 -1.51 0.00 0.00 37.83 33.38 3ek4 s LYS 284 CO -0.05 0.01 -0.23 0.20 -0.36 0.00 0.00 175.35 174.92 3ek4 s GLY 285 N 0.90 1.35 0.38 5.54 0.00 0.22 -0.47 107.32 115.24 3ek4 s GLY 285 Ca -0.02 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.74 3ek4 s GLY 285 CO 0.00 -0.44 0.10 -0.26 0.00 0.00 0.00 173.10 172.50 3ek4 s ILE 286 N 0.13 0.82 -1.34 0.90 -4.36 -1.00 0.13 121.20 116.48 3ek4 s ILE 286 Ca -0.12 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.27 3ek4 s ILE 286 Cb -0.16 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.05 3ek4 s ILE 286 CO 0.06 0.00 0.00 0.47 0.24 0.00 0.00 174.94 175.71 3ek4 n ASP 287 N -1.06 -4.40 -4.87 4.36 8.00 -1.26 -2.63 116.55 114.70 3ek4 n ASP 287 Ca -0.05 0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.32 3ek4 n ASP 287 Cb 0.66 -3.77 -0.01 0.00 -0.02 0.00 0.00 41.12 37.97 3ek4 n ASP 287 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ek4 s PHE 288 N -2.65 3.53 -0.13 1.24 0.40 -1.26 -3.19 117.98 115.92 3ek4 s PHE 288 Ca 0.00 1.25 -0.15 0.00 -0.60 0.00 0.00 56.93 57.43 3ek4 s PHE 288 Cb 0.00 -2.64 -0.05 0.00 0.51 0.00 0.00 43.02 40.84 3ek4 s PHE 288 CO 0.00 -0.42 0.35 0.15 0.70 0.00 0.00 175.22 176.00 3ek4 s LYS 289 N -4.49 4.20 0.06 0.44 1.02 -1.26 -4.88 119.74 114.83 3ek4 s LYS 289 Ca 0.55 0.22 0.11 0.00 0.02 0.00 0.00 55.97 56.87 3ek4 s LYS 289 Cb -0.10 -3.39 0.51 0.00 -0.52 0.00 0.00 37.83 34.32 3ek4 s LYS 289 CO 0.41 0.30 1.36 0.39 -0.92 0.00 0.00 175.35 176.88 3ek4 n GLU 290 N 3.30 0.04 0.00 1.68 -0.58 -1.26 -1.38 120.64 122.44 3ek4 n GLU 290 Ca -0.11 0.39 0.06 0.00 -0.42 0.00 0.00 57.16 57.08 3ek4 n GLU 290 Cb 0.52 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 3ek4 n GLU 290 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3ek4 n ASP 291 N -1.67 0.67 -3.74 1.62 3.85 -1.26 -4.01 116.55 112.01 3ek4 n ASP 291 Ca 0.02 -0.83 -0.30 0.00 -0.71 0.00 0.00 54.79 52.96 3ek4 n ASP 291 Cb 0.11 0.95 0.26 0.00 -1.35 0.00 0.00 41.12 41.08 3ek4 n ASP 291 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3ek4 s GLY 292 N -2.11 1.50 0.37 6.12 0.00 -0.48 -4.66 107.32 108.06 3ek4 s GLY 292 Ca 0.05 -0.80 0.09 0.00 0.00 0.00 0.00 44.72 44.06 3ek4 s GLY 292 CO 0.49 0.12 1.88 3.43 0.00 0.00 0.00 173.10 179.02 3ek4 h ASN 293 N -2.95 0.26 0.00 1.64 2.35 -1.92 -1.26 115.58 113.69 3ek4 h ASN 293 Ca -0.46 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3ek4 h ASN 293 Cb 1.32 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3ek4 h ASN 293 CO 0.34 0.44 0.00 -0.38 -1.65 0.00 0.00 177.43 176.17 3ek4 n ILE 294 N -4.24 0.00 -0.15 2.81 -0.00 -1.26 -1.41 119.36 115.11 3ek4 n ILE 294 Ca -0.01 0.48 0.17 0.00 -0.00 0.00 0.00 62.75 63.39 3ek4 n ILE 294 Cb 0.29 -0.96 0.53 0.00 -0.00 0.00 0.00 39.64 39.50 3ek4 n ILE 294 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3ek4 h LEU 295 N 0.00 0.33 -0.22 1.39 3.38 -1.76 0.03 115.31 118.46 3ek4 h LEU 295 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ek4 h LEU 295 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ek4 h LEU 295 CO 0.00 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.31 3ek4 n GLY 296 N -1.54 -0.74 3.96 0.83 0.00 -0.48 -4.91 105.19 102.32 3ek4 n GLY 296 Ca 0.14 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3ek4 n GLY 296 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ek4 n HIS 297 N -0.48 -1.61 1.01 1.61 8.25 -0.00 -4.89 115.22 119.12 3ek4 n HIS 297 Ca 0.10 0.53 0.12 0.00 -0.26 0.00 0.00 57.72 58.21 3ek4 n HIS 297 Cb 0.09 -3.37 0.06 0.00 1.12 0.00 0.00 29.99 27.90 3ek4 n HIS 297 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ek4 n LYS 298 N -4.49 1.74 -3.37 -0.41 5.02 -0.50 -5.00 118.16 111.16 3ek4 n LYS 298 Ca -0.22 -1.43 -0.37 0.00 -2.02 0.00 0.00 58.31 54.26 3ek4 n LYS 298 Cb 0.64 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 3ek4 n LYS 298 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ek4 s LEU 299 N -2.24 4.44 0.52 -0.35 1.43 -1.26 -0.61 118.68 120.60 3ek4 s LEU 299 Ca 0.23 1.11 -0.23 0.00 -1.03 0.00 0.00 54.13 54.21 3ek4 s LEU 299 Cb 0.19 -2.98 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 3ek4 s LEU 299 CO 0.44 0.22 1.36 -1.61 0.23 0.00 0.00 176.35 176.98 3ek4 s GLU 300 N -1.47 3.32 -0.11 1.70 2.02 0.04 -4.73 118.70 119.47 3ek4 s GLU 300 Ca 0.31 2.24 -0.08 0.00 0.02 0.00 0.00 54.97 57.46 3ek4 s GLU 300 Cb -0.17 -2.37 -0.07 0.00 0.10 0.00 0.00 34.13 31.62 3ek4 s GLU 300 CO 0.18 -1.05 0.20 -0.92 0.02 0.00 0.00 175.26 173.69 3ek4 h TYR 301 N 1.72 0.00 -0.14 1.61 3.20 -1.97 -3.46 116.97 117.92 3ek4 h TYR 301 Ca -0.51 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.36 3ek4 h TYR 301 Cb 1.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3ek4 h TYR 301 CO 0.47 0.29 0.00 -1.71 -1.64 0.00 0.00 178.16 175.58 3ek4 n ASN 302 N -4.72 0.00 -3.71 -2.11 4.05 -1.26 -4.81 115.26 102.69 3ek4 n ASN 302 Ca -0.03 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 54.88 3ek4 n ASN 302 Cb 0.15 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.04 3ek4 n ASN 302 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3ek4 s LEU 307 N 0.00 0.17 0.41 1.20 1.43 -1.26 -5.08 118.68 115.55 3ek4 s LEU 307 Ca 0.00 0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 53.49 3ek4 s LEU 307 Cb 0.00 0.91 -0.08 0.00 0.03 0.00 0.00 46.19 47.04 3ek4 s LEU 307 CO 0.00 -0.18 1.31 -0.89 0.23 0.00 0.00 176.35 176.82 3ek4 s THR 308 N 1.47 2.57 -2.00 5.49 2.01 -1.26 -4.89 115.64 119.02 3ek4 s THR 308 Ca -0.08 0.51 0.22 0.00 0.31 0.00 0.00 61.69 62.65 3ek4 s THR 308 Cb -0.10 -3.30 0.63 0.00 0.01 0.00 0.00 72.50 69.74 3ek4 s THR 308 CO -0.10 0.07 1.70 -1.84 -0.69 0.00 0.00 174.62 173.77 3ek4 n GLU 309 N 0.05 0.71 -0.07 4.92 0.28 -1.26 -1.11 120.64 124.15 3ek4 n GLU 309 Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.89 3ek4 n GLU 309 Cb 0.44 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.78 3ek4 n GLU 309 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 3ek4 h GLU 310 N 0.00 0.86 -0.01 3.44 4.81 -2.00 -3.03 114.58 118.65 3ek4 h GLU 310 Ca 0.00 -0.55 -0.18 0.00 -0.13 0.00 0.00 59.36 58.50 3ek4 h GLU 310 Cb 0.00 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3ek4 h GLU 310 CO 0.00 1.19 -0.78 1.96 -0.73 0.00 0.00 179.01 180.64 3ek4 h GLN 311 N 0.66 0.15 -0.53 1.92 4.20 -1.48 -2.23 115.11 117.81 3ek4 h GLN 311 Ca 0.01 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3ek4 h GLN 311 Cb 1.16 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 3ek4 h GLN 311 CO 0.12 0.86 0.22 0.82 -0.67 0.00 0.00 178.83 180.18 3ek4 h ILE 312 N 0.09 1.19 -0.31 2.54 2.04 -1.52 0.36 117.51 121.91 3ek4 h ILE 312 Ca -0.03 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 3ek4 h ILE 312 Cb 1.37 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3ek4 h ILE 312 CO 0.12 0.23 -0.02 0.00 0.00 0.00 0.00 178.15 178.48 3ek4 h ALA 313 N 1.49 0.42 0.00 1.87 0.00 -1.39 -1.60 119.26 120.06 3ek4 h ALA 313 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3ek4 h ALA 313 Cb 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ek4 h ALA 313 CO -0.02 0.19 -0.17 0.93 0.00 0.00 0.00 179.25 180.19 3ek4 h GLU 314 N 0.35 0.00 0.20 0.00 5.08 -0.80 -2.33 114.58 117.08 3ek4 h GLU 314 Ca 0.09 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.12 3ek4 h GLU 314 Cb 0.47 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 3ek4 h GLU 314 CO 0.02 0.17 -1.53 0.74 -1.00 0.00 0.00 179.01 177.40 3ek4 h PHE 315 N 0.00 0.77 -0.05 4.33 0.05 -0.21 -2.94 116.94 118.90 3ek4 h PHE 315 Ca -0.00 -0.56 -0.06 0.00 3.82 0.00 0.00 57.97 61.17 3ek4 h PHE 315 Cb 0.45 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.36 3ek4 h PHE 315 CO 0.00 1.59 -0.25 -0.22 -0.18 0.00 0.00 178.31 179.26 3ek4 h LYS 316 N 0.03 0.08 -0.15 1.51 3.64 -1.21 0.74 116.57 121.21 3ek4 h LYS 316 Ca -0.29 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 58.92 3ek4 h LYS 316 Cb 2.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.84 3ek4 h LYS 316 CO 0.20 0.33 -0.51 1.49 -2.27 0.00 0.00 179.45 178.69 3ek4 h GLU 317 N 0.08 0.41 0.00 1.90 4.81 -1.53 -2.30 114.58 117.95 3ek4 h GLU 317 Ca 0.01 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 3ek4 h GLU 317 Cb 0.48 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3ek4 h GLU 317 CO 0.03 0.83 -0.20 0.00 -0.73 0.00 0.00 179.01 178.94 3ek4 h ALA 318 N 1.13 0.89 -0.04 2.92 0.00 -1.25 -3.13 119.26 119.78 3ek4 h ALA 318 Ca 0.01 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3ek4 h ALA 318 Cb 1.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ek4 h ALA 318 CO 0.09 0.25 -0.57 0.35 0.00 0.00 0.00 179.25 179.36 3ek4 h PHE 319 N 0.00 0.15 -0.19 0.00 3.57 -0.57 -3.22 116.94 116.68 3ek4 h PHE 319 Ca -0.00 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 3ek4 h PHE 319 Cb 1.07 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3ek4 h PHE 319 CO 0.00 0.66 -0.29 0.77 -2.23 0.00 0.00 178.31 177.22 3ek4 h SER 320 N 0.09 0.37 -0.39 0.41 0.02 -1.36 -1.10 113.55 111.59 3ek4 h SER 320 Ca -0.00 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3ek4 h SER 320 Cb 1.03 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 3ek4 h SER 320 CO 0.08 0.65 0.26 0.25 -1.14 0.00 0.00 176.83 176.93 3ek4 h LEU 321 N 0.32 0.35 0.00 5.07 5.85 -1.62 -3.11 115.31 122.16 3ek4 h LEU 321 Ca 0.05 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3ek4 h LEU 321 Cb 0.68 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3ek4 h LEU 321 CO 0.05 0.24 -0.68 -0.26 -0.34 0.00 0.00 178.44 177.45 3ek4 h PHE 322 N 0.40 0.00 -0.07 1.25 0.04 -1.65 -3.41 116.94 113.51 3ek4 h PHE 322 Ca 0.16 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.28 3ek4 h PHE 322 Cb 0.13 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.29 3ek4 h PHE 322 CO -0.00 0.68 2.47 -3.47 -0.60 0.00 0.00 178.31 177.40 3ek4 n ASP 323 N -4.57 3.07 0.17 2.17 2.03 -0.43 -4.73 116.55 114.27 3ek4 n ASP 323 Ca -0.16 -2.74 0.04 0.00 0.52 0.00 0.00 54.79 52.45 3ek4 n ASP 323 Cb 0.41 -1.35 0.45 0.00 -0.72 0.00 0.00 41.12 39.91 3ek4 n ASP 323 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3ek4 h LYS 324 N 7.41 0.11 -0.11 -0.67 1.57 -1.80 -1.44 116.57 121.65 3ek4 h LYS 324 Ca 0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3ek4 h LYS 324 Cb 0.69 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3ek4 h LYS 324 CO 1.87 0.27 0.00 -0.40 -0.57 0.00 0.00 179.45 180.62 3ek4 n ASP 325 N -4.30 1.91 -3.91 0.86 5.68 -1.26 -4.99 116.55 110.53 3ek4 n ASP 325 Ca -0.02 -1.68 -0.29 0.00 -0.50 0.00 0.00 54.79 52.31 3ek4 n ASP 325 Cb 0.25 -0.06 0.01 0.00 -1.14 0.00 0.00 41.12 40.19 3ek4 n ASP 325 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek4 n GLY 326 N 1.21 -0.41 1.54 6.12 0.00 -0.54 -4.88 105.19 108.23 3ek4 n GLY 326 Ca 0.17 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.45 3ek4 n GLY 326 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ek4 n ASP 327 N -2.88 4.56 0.00 1.61 5.75 -1.26 -4.94 116.55 119.40 3ek4 n ASP 327 Ca -0.07 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 3ek4 n ASP 327 Cb 0.57 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 3ek4 n ASP 327 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ek4 n GLY 328 N 1.15 1.66 3.15 6.12 0.00 -1.26 -5.02 105.19 110.99 3ek4 n GLY 328 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 3ek4 n GLY 328 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek4 s THR 329 N -2.87 0.96 -0.21 2.61 -4.23 -1.26 -3.73 115.64 106.91 3ek4 s THR 329 Ca 0.00 -1.31 -0.07 0.00 -1.18 0.00 0.00 61.69 59.13 3ek4 s THR 329 Cb 0.00 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.80 3ek4 s THR 329 CO 0.00 -0.31 0.05 -0.63 -0.54 0.00 0.00 174.62 173.19 3ek4 s ILE 330 N -1.48 4.38 0.48 2.99 1.01 -0.03 -4.75 121.20 123.80 3ek4 s ILE 330 Ca -0.03 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.51 3ek4 s ILE 330 Cb -0.09 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.40 3ek4 s ILE 330 CO 0.02 0.40 0.66 0.42 0.00 0.00 0.00 174.94 176.44 3ek4 s THR 331 N 1.00 2.86 0.37 2.92 -4.23 -1.26 -1.80 115.64 115.49 3ek4 s THR 331 Ca 0.03 -0.85 0.08 0.00 -1.18 0.00 0.00 61.69 59.77 3ek4 s THR 331 Cb -0.14 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 70.85 3ek4 s THR 331 CO 0.03 -0.00 1.89 0.71 -0.54 0.00 0.00 174.62 176.71 3ek4 h THR 332 N 0.39 1.19 -0.09 3.99 1.35 -1.90 -1.63 112.91 116.21 3ek4 h THR 332 Ca -0.41 -0.81 0.04 0.00 -0.55 0.00 0.00 66.41 64.69 3ek4 h THR 332 Cb 1.29 1.13 -0.06 0.00 -1.73 0.00 0.00 68.15 68.78 3ek4 h THR 332 CO 0.48 0.26 -0.37 0.50 -0.25 0.00 0.00 175.52 176.14 3ek4 h LYS 333 N 0.32 -0.45 -0.26 4.72 1.63 -1.98 -0.95 116.57 119.60 3ek4 h LYS 333 Ca 0.07 0.03 -0.17 0.00 -0.85 0.00 0.00 60.65 59.72 3ek4 h LYS 333 Cb 0.37 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 3ek4 h LYS 333 CO 0.02 -0.30 -0.53 0.93 -3.45 0.00 0.00 179.45 176.12 3ek4 h GLU 334 N -0.47 0.77 -0.66 1.90 5.08 -1.79 -2.76 114.58 116.65 3ek4 h GLU 334 Ca 0.08 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 3ek4 h GLU 334 Cb 0.60 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3ek4 h GLU 334 CO -0.36 1.10 0.25 1.25 -1.00 0.00 0.00 179.01 180.26 3ek4 h LEU 335 N 0.59 0.89 -0.94 1.33 5.85 -1.29 -2.71 115.31 119.03 3ek4 h LEU 335 Ca 0.02 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3ek4 h LEU 335 Cb 1.11 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3ek4 h LEU 335 CO 0.11 0.80 0.53 1.23 -0.34 0.00 0.00 178.44 180.77 3ek4 h GLY 336 N 1.04 1.35 0.86 3.75 0.00 -1.02 -2.93 103.07 106.11 3ek4 h GLY 336 Ca 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3ek4 h GLY 336 CO -0.02 0.57 -0.15 -0.84 0.00 0.00 0.00 176.54 176.10 3ek4 h THR 337 N 1.28 0.68 -0.78 4.70 2.02 -1.19 -2.15 112.91 117.45 3ek4 h THR 337 Ca 0.33 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.53 3ek4 h THR 337 Cb -0.01 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 3ek4 h THR 337 CO -0.06 0.00 0.51 0.58 0.37 0.00 0.00 175.52 176.92 3ek4 h VAL 338 N -0.34 1.16 -0.15 3.16 2.07 -1.49 -2.13 116.25 118.54 3ek4 h VAL 338 Ca -0.01 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 3ek4 h VAL 338 Cb 0.31 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3ek4 h VAL 338 CO -0.02 0.19 -0.52 0.24 0.02 0.00 0.00 177.57 177.48 3ek4 h MET 339 N 1.02 0.43 -0.09 1.57 2.86 -1.44 -2.79 114.93 116.49 3ek4 h MET 339 Ca 0.30 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 3ek4 h MET 339 Cb -0.06 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3ek4 h MET 339 CO -0.08 0.85 -0.29 0.00 1.06 0.00 0.00 176.91 178.44 3ek4 h ARG 340 N 0.33 0.16 -0.00 1.72 3.08 -1.10 -0.56 114.38 118.01 3ek4 h ARG 340 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3ek4 h ARG 340 Cb 1.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3ek4 h ARG 340 CO 0.09 0.44 0.00 -1.13 -1.07 0.00 0.00 179.97 178.30 3ek4 n SER 341 N -4.15 0.02 -0.64 7.04 3.41 -0.82 -2.62 113.62 115.86 3ek4 n SER 341 Ca -0.01 -1.04 0.05 0.00 -0.26 0.00 0.00 58.87 57.61 3ek4 n SER 341 Cb 0.37 -0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.52 3ek4 n SER 341 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ek4 n LEU 342 N -0.97 3.22 0.00 1.04 4.77 -0.34 -4.79 117.00 119.93 3ek4 n LEU 342 Ca 0.23 -3.41 0.00 0.00 -0.03 0.00 0.00 56.01 52.80 3ek4 n LEU 342 Cb 0.11 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3ek4 n LEU 342 CO 0.17 0.98 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 3ek4 n GLY 343 N -1.08 0.60 3.95 -0.72 0.00 -1.08 -5.01 105.19 101.85 3ek4 n GLY 343 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 3ek4 n GLY 343 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ek4 s GLN 344 N -0.26 3.48 -0.42 1.61 -0.21 -0.49 -5.00 119.66 118.37 3ek4 s GLN 344 Ca 0.00 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 55.01 3ek4 s GLN 344 Cb 0.00 -2.73 0.20 0.00 1.00 0.00 0.00 33.01 31.48 3ek4 s GLN 344 CO 0.00 0.23 0.42 -1.71 -2.12 0.00 0.00 175.29 172.11 3ek4 n ASN 345 N -1.58 -0.07 -4.82 5.90 5.15 -1.26 -3.50 115.26 115.07 3ek4 n ASN 345 Ca -0.06 -2.53 -0.33 0.00 -0.60 0.00 0.00 54.58 51.07 3ek4 n ASN 345 Cb 0.56 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 39.16 3ek4 n ASN 345 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ek4 s PRO 346 N -0.47 4.17 0.85 1.20 0.04 -1.26 -5.06 135.00 134.47 3ek4 s PRO 346 Ca 0.34 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 3ek4 s PRO 346 Cb 0.08 -2.17 0.14 0.00 0.04 0.00 0.00 34.50 32.59 3ek4 s PRO 346 CO -0.16 -0.08 1.20 0.95 0.04 0.00 0.00 177.00 178.95 3ek4 s THR 347 N -2.25 2.05 0.17 1.26 -4.23 -1.26 -4.89 115.64 106.49 3ek4 s THR 347 Ca 0.62 -0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.92 3ek4 s THR 347 Cb -0.09 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.85 3ek4 s THR 347 CO 0.16 0.00 1.67 -0.08 -0.54 0.00 0.00 174.62 175.83 3ek4 h GLU 348 N -1.20 0.98 -0.55 3.99 4.57 -1.99 -1.94 114.58 118.44 3ek4 h GLU 348 Ca -0.44 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 57.43 3ek4 h GLU 348 Cb 1.28 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 3ek4 h GLU 348 CO 0.50 0.92 0.15 0.00 -1.18 0.00 0.00 179.01 179.40 3ek4 h ALA 349 N 1.02 1.23 -0.36 2.92 0.00 -2.00 -2.05 119.26 120.02 3ek4 h ALA 349 Ca 0.18 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ek4 h ALA 349 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ek4 h ALA 349 CO 0.01 0.54 -0.12 0.93 0.00 0.00 0.00 179.25 180.60 3ek4 h GLU 350 N 0.80 0.72 -0.29 0.00 5.08 -1.89 -2.34 114.58 116.67 3ek4 h GLU 350 Ca 0.18 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 3ek4 h GLU 350 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ek4 h GLU 350 CO -0.00 0.89 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.60 3ek4 h LEU 351 N 0.51 0.54 -0.17 1.33 3.38 -1.14 0.16 115.31 119.93 3ek4 h LEU 351 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3ek4 h LEU 351 Cb 0.65 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3ek4 h LEU 351 CO 0.04 0.77 -0.01 1.56 0.09 0.00 0.00 178.44 180.89 3ek4 h GLN 352 N 0.48 0.30 -0.95 1.13 4.20 -1.37 -2.04 115.11 116.86 3ek4 h GLN 352 Ca 0.07 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 58.75 3ek4 h GLN 352 Cb 0.66 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.35 3ek4 h GLN 352 CO 0.05 0.53 0.60 -0.44 -0.67 0.00 0.00 178.83 178.90 3ek4 h ASP 353 N 0.04 0.96 -0.24 1.46 3.32 -1.02 0.13 116.42 121.07 3ek4 h ASP 353 Ca 0.05 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3ek4 h ASP 353 Cb 0.40 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3ek4 h ASP 353 CO 0.01 0.61 0.11 0.24 -1.72 0.00 0.00 179.24 178.49 3ek4 h MET 354 N 1.09 0.35 -0.65 3.56 2.86 -0.60 -2.88 114.93 118.65 3ek4 h MET 354 Ca 0.41 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.96 3ek4 h MET 354 Cb 0.17 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3ek4 h MET 354 CO -0.17 0.37 0.27 0.82 1.06 0.00 0.00 176.91 179.25 3ek4 h ILE 355 N 0.25 1.24 0.00 -1.22 2.04 -1.04 -2.95 117.51 115.83 3ek4 h ILE 355 Ca 0.08 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3ek4 h ILE 355 Cb 0.14 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3ek4 h ILE 355 CO -0.01 0.29 -0.01 -1.13 0.00 0.00 0.00 178.15 177.29 3ek4 h ASN 356 N 0.92 0.00 0.73 1.72 -1.24 -0.58 -2.09 115.58 115.03 3ek4 h ASN 356 Ca 0.22 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.17 3ek4 h ASN 356 Cb 0.19 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 3ek4 h ASN 356 CO -0.02 0.01 -0.27 -0.33 -1.29 0.00 0.00 177.43 175.53 3ek4 h GLU 357 N 0.00 0.00 0.00 6.67 4.39 -1.33 -3.23 114.58 121.08 3ek4 h GLU 357 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ek4 h GLU 357 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3ek4 h GLU 357 CO 0.00 0.27 -0.10 1.33 -1.16 0.00 0.00 179.01 179.35 3ek4 n VAL 358 N -3.55 1.34 -3.28 3.13 0.24 -0.84 -4.95 118.33 110.41 3ek4 n VAL 358 Ca -0.01 -1.58 -0.45 0.00 -2.04 0.00 0.00 64.34 60.27 3ek4 n VAL 358 Cb 0.41 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 3ek4 n VAL 358 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3ek4 n ASP 359 N -0.99 5.49 -0.23 -1.34 4.64 -0.87 -4.77 116.55 118.48 3ek4 n ASP 359 Ca 0.10 -3.03 0.01 0.00 -1.38 0.00 0.00 54.79 50.49 3ek4 n ASP 359 Cb 0.60 -1.41 0.13 0.00 -1.04 0.00 0.00 41.12 39.41 3ek4 n ASP 359 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ek4 h ALA 360 N 6.70 0.91 0.00 -1.67 0.00 -1.90 -2.61 119.26 120.69 3ek4 h ALA 360 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ek4 h ALA 360 Cb 0.87 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ek4 h ALA 360 CO 1.05 -0.14 -0.38 -0.40 0.00 0.00 0.00 179.25 179.39 3ek4 n ASP 361 N -4.94 0.45 -0.55 0.00 5.68 -1.26 -4.83 116.55 111.10 3ek4 n ASP 361 Ca 0.11 0.07 -0.07 0.00 -0.50 0.00 0.00 54.79 54.40 3ek4 n ASP 361 Cb 0.30 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.23 3ek4 n ASP 361 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek4 n GLY 362 N 1.45 0.89 0.60 6.12 0.00 -0.98 -4.63 105.19 108.64 3ek4 n GLY 362 Ca 0.05 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.39 3ek4 n GLY 362 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ek4 n ASN 363 N 0.86 1.73 0.00 1.61 6.94 -1.26 -0.23 115.26 124.91 3ek4 n ASN 363 Ca -0.07 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.45 3ek4 n ASN 363 Cb 0.24 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 3ek4 n ASN 363 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ek4 n GLY 364 N 0.90 0.52 3.22 4.83 0.00 -1.26 -4.99 105.19 108.40 3ek4 n GLY 364 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3ek4 n GLY 364 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek4 s THR 365 N -2.37 1.05 -0.47 2.61 -4.23 -1.26 -4.66 115.64 106.31 3ek4 s THR 365 Ca 0.00 -1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 58.47 3ek4 s THR 365 Cb 0.00 -1.66 0.08 0.00 1.34 0.00 0.00 72.50 72.26 3ek4 s THR 365 CO 0.00 -0.69 0.38 -0.63 -0.54 0.00 0.00 174.62 173.14 3ek4 s ILE 366 N -3.03 5.03 0.98 2.99 1.01 -0.75 -4.89 121.20 122.55 3ek4 s ILE 366 Ca 0.12 -1.18 -0.16 0.00 0.00 0.00 0.00 60.65 59.44 3ek4 s ILE 366 Cb 0.01 -4.04 0.20 0.00 0.01 0.00 0.00 42.46 38.64 3ek4 s ILE 366 CO -0.00 -0.60 1.29 1.51 0.00 0.00 0.00 174.94 177.14 3ek4 s ASP 367 N 2.61 2.98 0.12 3.58 1.47 -1.26 -0.85 116.67 125.31 3ek4 s ASP 367 Ca 0.04 0.36 -0.12 0.00 1.18 0.00 0.00 52.55 54.01 3ek4 s ASP 367 Cb -0.25 -0.47 -0.12 0.00 -0.34 0.00 0.00 42.92 41.75 3ek4 s ASP 367 CO 0.05 -2.82 1.36 0.15 0.68 0.00 0.00 175.17 174.59 3ek4 h PHE 368 N -1.70 1.08 -0.51 2.11 3.57 -1.99 -1.56 116.94 117.94 3ek4 h PHE 368 Ca -0.45 -0.43 0.10 0.00 3.53 0.00 0.00 57.97 60.72 3ek4 h PHE 368 Cb 1.25 -0.18 -0.10 0.00 2.79 0.00 0.00 35.95 39.70 3ek4 h PHE 368 CO -1.13 1.27 -0.29 -1.35 -2.23 0.00 0.00 178.31 174.57 3ek4 h PRO 369 N 0.60 -0.16 -0.49 6.41 0.11 -1.95 0.64 132.00 137.16 3ek4 h PRO 369 Ca -0.02 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3ek4 h PRO 369 Cb 1.29 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3ek4 h PRO 369 CO 0.14 -0.11 0.29 0.93 -0.21 0.00 0.00 178.00 179.04 3ek4 h GLU 370 N -0.17 0.65 -0.07 1.05 5.08 -1.83 -2.06 114.58 117.23 3ek4 h GLU 370 Ca 0.22 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 3ek4 h GLU 370 Cb 0.53 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3ek4 h GLU 370 CO -0.61 0.46 -0.70 0.35 -1.00 0.00 0.00 179.01 177.52 3ek4 h PHE 371 N 0.67 0.43 0.22 4.33 3.57 -0.90 -3.12 116.94 122.14 3ek4 h PHE 371 Ca 0.18 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3ek4 h PHE 371 Cb -0.02 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.65 3ek4 h PHE 371 CO 0.00 0.92 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.82 3ek4 h LEU 372 N 0.22 -0.25 -0.76 0.59 3.38 -0.21 -2.86 115.31 115.41 3ek4 h LEU 372 Ca -0.02 -0.16 0.16 0.00 0.09 0.00 0.00 57.88 57.95 3ek4 h LEU 372 Cb 1.26 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.96 3ek4 h LEU 372 CO 0.11 0.02 0.23 0.74 0.09 0.00 0.00 178.44 179.64 3ek4 h THR 373 N -0.54 0.54 0.00 0.22 2.02 -1.49 0.21 112.91 113.88 3ek4 h THR 373 Ca -0.03 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 3ek4 h THR 373 Cb 0.40 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3ek4 h THR 373 CO 0.05 0.06 -0.37 0.00 0.37 0.00 0.00 175.52 175.63 3ek4 h MET 374 N 0.32 0.00 0.04 6.66 -0.00 -1.52 -1.81 114.93 118.62 3ek4 h MET 374 Ca 0.43 0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.84 3ek4 h MET 374 Cb 0.73 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.29 3ek4 h MET 374 CO -0.49 0.37 -1.59 0.52 -0.00 0.00 0.00 176.91 175.73 3ek4 h MET 375 N 0.00 0.08 -0.62 -0.10 2.07 -0.93 -1.73 114.93 113.69 3ek4 h MET 375 Ca -0.00 -0.13 -0.06 0.00 -2.07 0.00 0.00 59.70 57.43 3ek4 h MET 375 Cb 0.68 0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.43 3ek4 h MET 375 CO 0.05 0.78 0.14 0.00 1.07 0.00 0.00 176.91 178.94 3ek4 h ALA 376 N 0.80 0.81 -0.31 6.32 0.00 -0.60 0.14 119.26 126.42 3ek4 h ALA 376 Ca -0.25 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 3ek4 h ALA 376 Cb 1.98 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 3ek4 h ALA 376 CO 0.10 0.54 -0.39 -0.09 0.00 0.00 0.00 179.25 179.41 3ek4 h ARG 377 N 0.91 0.82 0.00 0.00 2.43 -1.40 -1.87 114.38 115.28 3ek4 h ARG 377 Ca 0.19 -0.46 -0.09 0.00 -0.81 0.00 0.00 59.98 58.81 3ek4 h ARG 377 Cb 0.38 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3ek4 h ARG 377 CO 0.01 1.10 -0.44 -0.22 -1.51 0.00 0.00 179.97 178.90 3ek4 h LYS 378 N 0.60 0.00 0.00 0.20 3.11 -1.17 -2.39 116.57 116.92 3ek4 h LYS 378 Ca 0.04 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.80 3ek4 h LYS 378 Cb 0.99 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.20 3ek4 h LYS 378 CO 0.09 0.44 -0.39 1.98 -2.81 0.00 0.00 179.45 178.76 3ek4 h MET 379 N 0.00 0.00 -0.10 1.90 4.05 -0.67 -3.23 114.93 116.87 3ek4 h MET 379 Ca -0.00 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.27 3ek4 h MET 379 Cb 0.79 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 3ek4 h MET 379 CO 0.06 0.37 -0.58 0.87 0.23 0.00 0.00 176.91 177.86 3ek4 h LYS 380 N 0.00 0.33 -5.55 0.39 1.57 -0.85 -3.45 116.57 109.01 3ek4 h LYS 380 Ca -0.01 -0.22 -0.65 0.00 -1.87 0.00 0.00 60.65 57.91 3ek4 h LYS 380 Cb 1.29 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 3ek4 h LYS 380 CO 0.05 0.82 -0.57 -0.51 -0.57 0.00 0.00 179.45 178.67 3ek4 s ASP 381 N -6.90 5.64 0.24 0.86 1.01 -0.98 -4.98 116.67 111.57 3ek4 s ASP 381 Ca -0.05 0.17 -0.29 0.00 0.71 0.00 0.00 52.55 53.09 3ek4 s ASP 381 Cb 0.12 -1.84 -0.09 0.00 1.01 0.00 0.00 42.92 42.12 3ek4 s ASP 381 CO 0.81 0.28 0.93 -0.89 0.21 0.00 0.00 175.17 176.51 3ek4 s THR 382 N -0.27 4.10 0.48 -1.27 2.01 -1.26 -4.88 115.64 114.54 3ek4 s THR 382 Ca 0.08 2.04 -0.07 0.00 0.31 0.00 0.00 61.69 64.05 3ek4 s THR 382 Cb -0.12 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 3ek4 s THR 382 CO 0.02 0.47 0.81 -1.81 -0.69 0.00 0.00 174.62 173.41 3ek4 s ASP 383 N -1.22 6.33 1.06 3.53 1.01 -1.26 -4.76 116.67 121.36 3ek4 s ASP 383 Ca 0.41 1.03 -0.17 0.00 0.71 0.00 0.00 52.55 54.53 3ek4 s ASP 383 Cb -0.25 -2.29 0.23 0.00 1.01 0.00 0.00 42.92 41.62 3ek4 s ASP 383 CO 0.31 -0.56 1.22 -0.94 0.21 0.00 0.00 175.17 175.41 3ek4 s SER 384 N -3.87 2.18 0.14 0.27 1.04 -1.26 -4.64 113.70 107.56 3ek4 s SER 384 Ca 0.49 0.45 -0.10 0.00 0.48 0.00 0.00 55.95 57.28 3ek4 s SER 384 Cb -0.10 -0.60 -0.05 0.00 0.10 0.00 0.00 66.02 65.36 3ek4 s SER 384 CO 0.42 -3.33 1.41 1.05 0.98 0.00 0.00 173.24 173.78 3ek4 h GLU 385 N -2.05 0.80 0.00 4.02 4.11 -1.98 -2.31 114.58 117.17 3ek4 h GLU 385 Ca -0.45 -0.52 -0.00 0.00 0.07 0.00 0.00 59.36 58.46 3ek4 h GLU 385 Cb 1.26 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 3ek4 h GLU 385 CO 0.37 1.15 -0.01 0.93 0.07 0.00 0.00 179.01 181.53 3ek4 h GLU 386 N 0.60 0.00 0.06 1.06 3.07 -1.99 0.14 114.58 117.52 3ek4 h GLU 386 Ca 0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 3ek4 h GLU 386 Cb 1.18 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 3ek4 h GLU 386 CO 0.12 0.01 -2.00 0.39 -1.40 0.00 0.00 179.01 176.14 3ek4 n GLU 387 N -3.40 0.70 0.08 2.33 1.02 -1.15 -3.68 120.64 116.52 3ek4 n GLU 387 Ca -0.03 0.23 -0.06 0.00 -0.02 0.00 0.00 57.16 57.29 3ek4 n GLU 387 Cb 0.09 -1.70 0.10 0.00 -0.02 0.00 0.00 31.44 29.92 3ek4 n GLU 387 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3ek4 h ILE 388 N 0.03 1.38 -0.18 -3.67 2.04 -1.11 -2.53 117.51 113.47 3ek4 h ILE 388 Ca -0.41 -2.00 0.05 0.00 1.00 0.00 0.00 64.86 63.50 3ek4 h ILE 388 Cb 2.03 2.01 -0.07 0.00 -0.74 0.00 0.00 36.82 40.05 3ek4 h ILE 388 CO 0.06 0.59 -0.43 0.03 0.00 0.00 0.00 178.15 178.40 3ek4 h ARG 389 N 0.20 -0.45 -0.31 2.37 2.47 -0.87 0.17 114.38 117.96 3ek4 h ARG 389 Ca -0.01 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 3ek4 h ARG 389 Cb 1.13 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 3ek4 h ARG 389 CO 0.10 -0.30 -0.06 0.93 0.56 0.00 0.00 179.97 181.20 3ek4 h GLU 390 N -0.47 0.51 0.00 0.04 5.08 -1.63 0.25 114.58 118.36 3ek4 h GLU 390 Ca 0.08 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3ek4 h GLU 390 Cb 0.62 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3ek4 h GLU 390 CO -0.43 0.58 -0.20 0.00 -1.00 0.00 0.00 179.01 177.95 3ek4 h ALA 391 N 1.47 1.08 0.16 3.43 0.00 -0.99 -3.12 119.26 121.28 3ek4 h ALA 391 Ca 0.10 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 3ek4 h ALA 391 Cb 0.40 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ek4 h ALA 391 CO 0.02 0.26 -1.47 0.35 0.00 0.00 0.00 179.25 178.40 3ek4 h PHE 392 N 0.00 0.61 0.00 0.00 3.57 0.25 -3.35 116.94 118.02 3ek4 h PHE 392 Ca -0.00 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3ek4 h PHE 392 Cb 0.65 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3ek4 h PHE 392 CO 0.00 1.57 0.00 0.54 -2.23 0.00 0.00 178.31 178.19 3ek4 n ARG 393 N -3.81 0.81 -0.00 1.11 1.74 -0.01 -2.15 116.66 114.35 3ek4 n ARG 393 Ca -0.23 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.76 3ek4 n ARG 393 Cb 0.97 -1.02 -0.14 0.00 -1.02 0.00 0.00 32.46 31.26 3ek4 n ARG 393 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ek4 h VAL 394 N 0.00 1.02 0.05 1.55 2.07 -1.68 -3.39 116.25 115.87 3ek4 h VAL 394 Ca 0.00 -2.84 -0.24 0.00 0.82 0.00 0.00 66.70 64.44 3ek4 h VAL 394 Cb 0.02 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3ek4 h VAL 394 CO 0.00 0.61 -1.28 -0.26 0.02 0.00 0.00 177.57 176.66 3ek4 h PHE 395 N 0.01 0.20 -2.35 1.57 0.04 -1.66 -3.43 116.94 111.31 3ek4 h PHE 395 Ca -0.23 -0.15 -0.53 0.00 2.80 0.00 0.00 57.97 59.86 3ek4 h PHE 395 Cb 1.97 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 40.05 3ek4 h PHE 395 CO 0.01 1.50 1.16 0.34 -0.60 0.00 0.00 178.31 180.72 3ek4 s ASP 396 N -6.87 5.88 0.01 2.17 3.68 -1.10 -4.52 116.67 115.91 3ek4 s ASP 396 Ca -0.24 -0.03 -0.20 0.00 2.13 0.00 0.00 52.55 54.21 3ek4 s ASP 396 Cb 0.05 -2.55 -0.21 0.00 -1.45 0.00 0.00 42.92 38.76 3ek4 s ASP 396 CO 0.68 -1.97 1.15 0.11 0.13 0.00 0.00 175.17 175.27 3ek4 h LYS 397 N 11.80 0.42 0.00 4.34 1.79 -1.84 -3.31 116.57 129.77 3ek4 h LYS 397 Ca -0.27 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 3ek4 h LYS 397 Cb 1.09 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3ek4 h LYS 397 CO 1.24 1.04 -0.04 0.38 -1.08 0.00 0.00 179.45 180.98 3ek4 h ASP 398 N -0.07 0.00 -5.11 0.86 -0.00 -1.96 -3.49 116.42 106.66 3ek4 h ASP 398 Ca -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 3ek4 h ASP 398 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 3ek4 h ASP 398 CO 0.10 0.00 -0.14 0.61 -0.00 0.00 0.00 179.24 179.81 3ek4 n GLY 399 N 1.13 -1.18 0.00 7.15 0.00 -1.25 -5.00 105.19 106.05 3ek4 n GLY 399 Ca 0.04 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3ek4 n GLY 399 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ek4 n ASN 400 N -1.27 0.39 0.00 1.61 6.94 -1.26 -5.02 115.26 116.65 3ek4 n ASN 400 Ca 0.03 -0.69 0.00 0.00 -0.02 0.00 0.00 54.58 53.90 3ek4 n ASN 400 Cb 0.47 0.50 0.00 0.00 -2.36 0.00 0.00 39.78 38.40 3ek4 n ASN 400 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ek4 n GLY 401 N 0.50 3.10 3.57 4.83 0.00 -1.26 -5.03 105.19 110.90 3ek4 n GLY 401 Ca 0.00 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 3ek4 n GLY 401 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ek4 s TYR 402 N -0.66 3.21 -0.11 1.61 1.51 -1.26 -5.09 117.35 116.56 3ek4 s TYR 402 Ca 0.00 -0.03 -0.20 0.00 -1.01 0.00 0.00 57.07 55.82 3ek4 s TYR 402 Cb 0.00 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 3ek4 s TYR 402 CO 0.00 -0.09 0.58 0.42 -1.11 0.00 0.00 175.55 175.34 3ek4 s ILE 403 N 1.22 5.12 0.31 2.71 1.01 -1.26 -4.96 121.20 125.34 3ek4 s ILE 403 Ca 0.06 1.16 -0.13 0.00 0.00 0.00 0.00 60.65 61.74 3ek4 s ILE 403 Cb -0.14 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 3ek4 s ILE 403 CO 0.05 0.27 0.69 -0.94 0.00 0.00 0.00 174.94 175.01 3ek4 s SER 404 N 0.76 6.68 0.00 3.58 1.04 -1.26 -4.97 113.70 119.54 3ek4 s SER 404 Ca 0.30 1.15 0.14 0.00 0.48 0.00 0.00 55.95 58.02 3ek4 s SER 404 Cb -0.16 -2.32 0.64 0.00 0.10 0.00 0.00 66.02 64.28 3ek4 s SER 404 CO 0.13 -0.20 1.43 0.00 0.98 0.00 0.00 173.24 175.58 3ek4 n ALA 405 N -0.48 1.70 0.04 5.32 0.00 -1.26 -1.88 120.51 123.96 3ek4 n ALA 405 Ca 0.02 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 3ek4 n ALA 405 Cb 0.53 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 3ek4 n ALA 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek4 h ALA 406 N 2.55 0.09 -0.14 0.00 0.00 -2.00 -3.20 119.26 116.56 3ek4 h ALA 406 Ca 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 54.91 53.96 3ek4 h ALA 406 Cb 0.20 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ek4 h ALA 406 CO 0.00 0.75 0.11 0.93 0.00 0.00 0.00 179.25 181.04 3ek4 h GLU 407 N -0.21 0.00 0.55 0.00 5.08 -1.67 -2.53 114.58 115.80 3ek4 h GLU 407 Ca -0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3ek4 h GLU 407 Cb 1.83 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.08 3ek4 h GLU 407 CO 0.12 0.00 -0.26 1.25 -1.00 0.00 0.00 179.01 179.11 3ek4 h LEU 408 N 0.00 -0.62 -1.02 1.33 5.85 -1.59 -3.24 115.31 116.02 3ek4 h LEU 408 Ca 0.07 -0.04 0.20 0.00 0.84 0.00 0.00 57.88 58.94 3ek4 h LEU 408 Cb 0.29 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.37 3ek4 h LEU 408 CO -0.00 -0.24 0.61 -0.09 -0.34 0.00 0.00 178.44 178.38 3ek4 h ARG 409 N -1.08 0.72 0.11 1.25 2.43 -1.45 0.26 114.38 116.62 3ek4 h ARG 409 Ca -0.07 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3ek4 h ARG 409 Cb 0.63 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 3ek4 h ARG 409 CO 0.12 0.47 -0.40 1.25 -1.51 0.00 0.00 179.97 179.91 3ek4 h HIS 410 N 0.74 -1.12 -0.44 2.20 2.76 -1.60 0.80 115.15 118.49 3ek4 h HIS 410 Ca 0.58 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.78 3ek4 h HIS 410 Cb 0.94 0.48 -0.02 0.00 1.55 0.00 0.00 27.41 30.36 3ek4 h HIS 410 CO -0.00 -0.50 0.26 0.28 -1.30 0.00 0.00 177.93 176.67 3ek4 h VAL 411 N -0.63 1.14 -0.01 5.26 2.07 -1.19 -2.83 116.25 120.06 3ek4 h VAL 411 Ca 0.03 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.25 3ek4 h VAL 411 Cb 0.66 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3ek4 h VAL 411 CO -0.24 0.14 -0.41 0.24 0.02 0.00 0.00 177.57 177.33 3ek4 h MET 412 N 0.58 -0.54 -0.03 1.57 2.07 -0.24 -3.03 114.93 115.32 3ek4 h MET 412 Ca 0.16 0.04 0.02 0.00 -2.07 0.00 0.00 59.70 57.85 3ek4 h MET 412 Cb 0.00 0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.83 3ek4 h MET 412 CO -0.03 -0.36 -0.11 1.15 1.07 0.00 0.00 176.91 178.63 3ek4 h THR 413 N -0.56 0.72 0.00 2.22 2.02 -0.82 -3.51 112.91 112.98 3ek4 h THR 413 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3ek4 h THR 413 Cb 0.64 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ek4 h THR 413 CO -0.32 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.16