#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qe3 s ASP 24 N 0.00 5.33 0.00 0.00 -1.08 -1.26 -4.99 116.67 114.67 2qe3 s ASP 24 Ca 0.00 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.08 2qe3 s ASP 24 Cb 0.00 -1.81 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 2qe3 s ASP 24 CO 0.00 0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.52 2qe3 n GLY 25 N 3.19 1.61 4.59 2.66 0.00 -1.26 -4.78 105.19 111.20 2qe3 n GLY 25 Ca -0.17 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2qe3 n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qe3 n ASP 26 N 0.00 0.00 -4.77 1.61 5.68 -1.26 -5.06 116.55 112.75 2qe3 n ASP 26 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.90 2qe3 n ASP 26 Cb 0.00 -0.93 -0.04 0.00 -1.14 0.00 0.00 41.12 39.01 2qe3 n ASP 26 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2qe3 s LYS 27 N 0.00 4.42 0.31 0.11 1.02 -1.26 -4.86 119.74 119.48 2qe3 s LYS 27 Ca 0.00 1.68 -0.29 0.00 0.02 0.00 0.00 55.97 57.38 2qe3 s LYS 27 Cb 0.00 -2.91 -0.10 0.00 -0.52 0.00 0.00 37.83 34.30 2qe3 s LYS 27 CO 0.00 0.05 1.35 -2.14 -0.92 0.00 0.00 175.35 173.69 2qe3 s PRO 28 N -1.90 4.32 -0.27 -1.68 0.02 -1.26 -4.70 135.00 129.53 2qe3 s PRO 28 Ca 0.50 2.26 -0.24 0.00 0.02 0.00 0.00 61.00 63.54 2qe3 s PRO 28 Cb -0.28 -3.07 0.08 0.00 0.02 0.00 0.00 34.50 31.25 2qe3 s PRO 28 CO 0.35 -0.27 0.77 1.03 -0.33 0.00 0.00 177.00 178.56 2qe3 s ARG 29 N -1.47 0.76 -0.23 5.54 0.52 -1.18 -1.18 118.95 121.71 2qe3 s ARG 29 Ca 0.52 0.95 -0.16 0.00 -0.52 0.00 0.00 55.73 56.52 2qe3 s ARG 29 Cb -0.41 0.35 0.07 0.00 0.52 0.00 0.00 34.95 35.48 2qe3 s ARG 29 CO 0.51 -0.10 0.58 0.00 0.02 0.00 0.00 175.30 176.32 2qe3 s ALA 30 N 0.50 -1.52 -0.22 2.13 0.00 -0.34 -1.31 121.76 121.00 2qe3 s ALA 30 Ca -0.01 1.95 0.02 0.00 0.00 0.00 0.00 51.96 53.92 2qe3 s ALA 30 Cb -0.05 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 21.96 2qe3 s ALA 30 CO -0.03 -0.32 -0.14 -1.58 0.00 0.00 0.00 175.76 173.69 2qe3 s HIS 31 N 1.15 2.94 0.10 0.00 5.04 -0.59 -0.89 115.29 123.05 2qe3 s HIS 31 Ca -0.07 -1.95 0.06 0.00 -1.54 0.00 0.00 55.06 51.57 2qe3 s HIS 31 Cb -0.06 -1.88 -0.04 0.00 0.04 0.00 0.00 32.58 30.65 2qe3 s HIS 31 CO -0.11 -0.83 -0.07 -0.51 -2.34 0.00 0.00 174.74 170.88 2qe3 s LEU 32 N 1.22 3.18 0.23 8.88 1.43 0.21 -1.23 118.68 132.60 2qe3 s LEU 32 Ca -0.02 -0.32 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 2qe3 s LEU 32 Cb -0.17 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2qe3 s LEU 32 CO -0.09 0.18 -0.10 0.42 0.23 0.00 0.00 176.35 176.99 2qe3 s THR 33 N -1.25 1.63 0.60 5.49 -4.23 -0.53 -0.78 115.64 116.58 2qe3 s THR 33 Ca 0.23 -2.16 -0.15 0.00 -1.18 0.00 0.00 61.69 58.43 2qe3 s THR 33 Cb -0.11 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 2qe3 s THR 33 CO 0.15 -0.48 1.04 0.54 -0.54 0.00 0.00 174.62 175.34 2qe3 s VAL 34 N -3.03 4.03 0.25 2.29 0.11 -0.72 -1.02 120.40 122.32 2qe3 s VAL 34 Ca 0.25 0.88 -0.12 0.00 -2.93 0.00 0.00 61.98 60.07 2qe3 s VAL 34 Cb 0.01 -3.47 -0.00 0.00 -1.53 0.00 0.00 36.38 31.39 2qe3 s VAL 34 CO 0.09 -0.65 0.47 0.68 -3.33 0.00 0.00 175.10 172.35 2qe3 s VAL 35 N -2.65 0.00 -0.10 2.04 -7.23 -1.26 -4.63 120.40 106.58 2qe3 s VAL 35 Ca 0.61 -1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 59.04 2qe3 s VAL 35 Cb -0.14 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 2qe3 s VAL 35 CO 0.41 0.00 1.93 -0.60 -0.31 0.00 0.00 175.10 176.53 2qe3 s ARG 36 N -3.92 3.80 0.12 4.82 3.52 -1.26 -4.80 118.95 121.22 2qe3 s ARG 36 Ca 0.24 2.21 -0.30 0.00 -0.13 0.00 0.00 55.73 57.75 2qe3 s ARG 36 Cb -0.00 -4.18 -0.06 0.00 -1.56 0.00 0.00 34.95 29.15 2qe3 s ARG 36 CO 0.10 -1.33 1.14 -0.65 -0.81 0.00 0.00 175.30 173.75 2qe3 s GLN 37 N 4.98 4.51 0.56 5.12 -1.52 -1.26 -5.05 119.66 127.01 2qe3 s GLN 37 Ca 0.87 1.73 -0.04 0.00 -1.95 0.00 0.00 55.36 55.97 2qe3 s GLN 37 Cb -0.35 -3.32 0.01 0.00 -0.22 0.00 0.00 33.01 29.13 2qe3 s GLN 37 CO 0.36 -0.09 0.84 0.95 -0.25 0.00 0.00 175.29 177.10 2qe3 s THR 38 N 0.43 3.49 0.16 -0.19 -4.23 -1.26 -5.13 115.64 108.92 2qe3 s THR 38 Ca 0.54 -0.22 -0.34 0.00 -1.18 0.00 0.00 61.69 60.49 2qe3 s THR 38 Cb -0.29 -3.37 -0.15 0.00 1.34 0.00 0.00 72.50 70.04 2qe3 s THR 38 CO 0.32 -0.34 1.44 -0.81 -0.54 0.00 0.00 174.62 174.70 2qe3 n PRO 39 N -2.47 1.78 -1.45 3.99 -0.04 -1.26 -5.05 135.00 130.51 2qe3 n PRO 39 Ca 0.04 0.64 -0.62 0.00 -0.04 0.00 0.00 63.50 63.53 2qe3 n PRO 39 Cb 0.58 -2.33 -0.11 0.00 -0.04 0.00 0.00 33.50 31.61 2qe3 n PRO 39 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qe3 n PHE 47 N 2.69 1.41 -1.64 0.54 3.01 -1.26 -5.16 117.46 117.04 2qe3 n PHE 47 Ca 0.16 0.93 -0.42 0.00 1.01 0.00 0.00 57.45 59.13 2qe3 n PHE 47 Cb 0.27 -2.18 0.00 0.00 -0.01 0.00 0.00 39.48 37.56 2qe3 n PHE 47 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2qe3 n PRO 48 N 5.54 1.59 -3.19 -1.08 -0.04 -1.25 -4.62 135.00 131.95 2qe3 n PRO 48 Ca 0.41 0.57 -0.39 0.00 -0.04 0.00 0.00 63.50 64.05 2qe3 n PRO 48 Cb -0.05 -2.12 -0.06 0.00 -0.04 0.00 0.00 33.50 31.23 2qe3 n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qe3 s ALA 49 N -1.19 3.54 0.63 0.55 0.00 -1.26 -1.72 121.76 122.31 2qe3 s ALA 49 Ca 0.61 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 2qe3 s ALA 49 Cb -0.58 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2qe3 s ALA 49 CO 0.59 0.33 1.05 -0.51 0.00 0.00 0.00 175.76 177.21 2qe3 s LEU 50 N -0.95 3.33 0.38 0.00 1.43 -0.27 -4.98 118.68 117.63 2qe3 s LEU 50 Ca 0.31 1.67 0.08 0.00 -1.03 0.00 0.00 54.13 55.16 2qe3 s LEU 50 Cb -0.20 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.46 2qe3 s LEU 50 CO 0.20 -1.20 0.12 -1.38 0.23 0.00 0.00 176.35 174.32 2qe3 s HIS 51 N -2.78 2.60 -0.00 0.29 -3.43 -1.26 -4.72 115.29 105.98 2qe3 s HIS 51 Ca 0.60 -0.53 -0.02 0.00 -0.80 0.00 0.00 55.06 54.31 2qe3 s HIS 51 Cb -0.14 -1.78 -0.00 0.00 -1.43 0.00 0.00 32.58 29.22 2qe3 s HIS 51 CO 0.45 0.30 0.03 -1.58 -2.00 0.00 0.00 174.74 171.95 2qe3 s TRP 52 N -2.57 0.07 0.47 0.38 0.52 -1.26 -4.50 118.94 112.05 2qe3 s TRP 52 Ca 0.39 -0.14 -0.22 0.00 0.02 0.00 0.00 56.10 56.14 2qe3 s TRP 52 Cb 0.03 -0.07 -0.08 0.00 -1.15 0.00 0.00 33.47 32.20 2qe3 s TRP 52 CO 0.21 -0.12 1.10 -2.00 0.02 0.00 0.00 176.95 176.16 2qe3 s GLU 53 N -0.71 3.79 0.00 4.98 2.56 -0.19 -4.94 118.70 124.19 2qe3 s GLU 53 Ca -0.08 1.59 0.00 0.00 0.00 0.00 0.00 54.97 56.48 2qe3 s GLU 53 Cb -0.05 -2.29 0.00 0.00 2.00 0.00 0.00 34.13 33.79 2qe3 s GLU 53 CO -0.00 -0.48 0.00 -2.39 -0.56 0.00 0.00 175.26 171.83 2qe3 n HIS 54 N -0.64 0.00 0.00 5.30 1.44 -1.26 -1.45 115.22 118.60 2qe3 n HIS 54 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 2qe3 n HIS 54 Cb 0.50 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.63 2qe3 n HIS 54 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2qe3 n GLU 55 N 0.00 0.22 -2.36 -1.40 0.28 -1.25 -2.86 120.64 113.27 2qe3 n GLU 55 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 2qe3 n GLU 55 Cb 0.19 -0.40 -0.00 0.00 1.43 0.00 0.00 31.44 32.66 2qe3 n GLU 55 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2qe3 s LEU 56 N -0.95 3.50 0.00 -1.84 1.43 -1.26 -4.65 118.68 114.91 2qe3 s LEU 56 Ca 0.00 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2qe3 s LEU 56 Cb 0.00 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2qe3 s LEU 56 CO 0.00 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.52 2qe3 n GLY 57 N -2.30 3.71 0.23 -3.19 0.00 -1.26 -2.00 105.19 100.39 2qe3 n GLY 57 Ca 0.03 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2qe3 n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qe3 n LEU 58 N 0.00 1.07 -4.84 0.99 4.77 -1.26 -4.95 117.00 112.77 2qe3 n LEU 58 Ca 0.00 -0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 55.38 2qe3 n LEU 58 Cb 0.00 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2qe3 n LEU 58 CO 0.00 0.21 0.72 0.00 -1.33 0.00 0.00 177.39 176.99 2qe3 s ALA 59 N -2.59 2.83 -0.08 -1.18 0.00 -0.84 -4.91 121.76 114.98 2qe3 s ALA 59 Ca 0.21 -0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.81 2qe3 s ALA 59 Cb 0.19 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 20.31 2qe3 s ALA 59 CO 0.56 -1.05 1.01 -0.59 0.00 0.00 0.00 175.76 175.69 2qe3 s PHE 60 N -3.14 -0.28 0.07 0.00 -0.12 -0.36 -3.96 117.98 110.19 2qe3 s PHE 60 Ca 0.57 0.22 0.04 0.00 -0.05 0.00 0.00 56.93 57.71 2qe3 s PHE 60 Cb -0.13 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 2qe3 s PHE 60 CO 0.54 -0.41 -0.13 0.95 -0.05 0.00 0.00 175.22 176.13 2qe3 s THR 61 N -2.64 1.00 0.22 -4.49 -4.23 -1.20 -1.54 115.64 102.76 2qe3 s THR 61 Ca 0.06 -1.29 -0.13 0.00 -1.18 0.00 0.00 61.69 59.14 2qe3 s THR 61 Cb -0.01 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2qe3 s THR 61 CO -0.06 -0.28 0.46 -1.59 -0.54 0.00 0.00 174.62 172.61 2qe3 s LYS 62 N -1.78 1.46 -1.41 3.99 -2.85 -0.43 -4.93 119.74 113.78 2qe3 s LYS 62 Ca -0.03 -1.15 -0.00 0.00 -1.00 0.00 0.00 55.97 53.79 2qe3 s LYS 62 Cb -0.10 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2qe3 s LYS 62 CO 0.02 -0.60 0.39 0.09 0.10 0.00 0.00 175.35 175.34 2qe3 n ASN 63 N -0.35 -0.23 0.00 0.03 3.02 -1.26 -2.87 115.26 113.60 2qe3 n ASN 63 Ca -0.04 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2qe3 n ASN 63 Cb 0.62 -2.94 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 2qe3 n ASN 63 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qe3 n ARG 64 N -4.41 0.00 -2.86 3.52 1.74 -1.26 -4.00 116.66 109.38 2qe3 n ARG 64 Ca -0.31 0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.44 2qe3 n ARG 64 Cb 0.69 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 2qe3 n ARG 64 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2qe3 s MET 65 N -0.62 4.67 -0.14 5.56 -1.94 -1.14 -4.32 119.30 121.38 2qe3 s MET 65 Ca 0.00 1.30 0.02 0.00 -1.71 0.00 0.00 55.69 55.31 2qe3 s MET 65 Cb 0.00 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.54 2qe3 s MET 65 CO 0.00 0.44 -0.22 1.21 -0.01 0.00 0.00 175.02 176.44 2qe3 s ASN 66 N -0.75 3.12 -0.40 3.03 3.84 -1.02 -4.64 114.94 118.12 2qe3 s ASN 66 Ca 0.40 -0.61 -0.15 0.00 0.21 0.00 0.00 52.86 52.72 2qe3 s ASN 66 Cb -0.24 -1.45 0.01 0.00 -0.55 0.00 0.00 41.25 39.03 2qe3 s ASN 66 CO 0.28 0.08 0.29 -0.47 -2.79 0.00 0.00 177.10 174.49 2qe3 s TYR 67 N 0.84 3.24 -0.19 0.43 5.04 -1.26 0.82 117.35 126.28 2qe3 s TYR 67 Ca -0.06 -0.52 -0.15 0.00 -2.44 0.00 0.00 57.07 53.89 2qe3 s TYR 67 Cb -0.15 -2.57 0.05 0.00 0.35 0.00 0.00 41.96 39.64 2qe3 s TYR 67 CO -0.03 -0.55 0.48 -0.08 -1.34 0.00 0.00 175.55 174.04 2qe3 s THR 68 N 1.69 -0.01 -1.23 4.34 -1.32 -0.20 -4.91 115.64 114.00 2qe3 s THR 68 Ca 0.05 0.02 -0.07 0.00 -1.21 0.00 0.00 61.69 60.48 2qe3 s THR 68 Cb -0.19 -0.69 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 2qe3 s THR 68 CO 0.10 0.01 1.07 -3.20 -2.21 0.00 0.00 174.62 170.39 2qe3 n ASN 69 N 3.25 -5.62 -0.02 8.08 5.15 -1.26 -1.48 115.26 123.35 2qe3 n ASN 69 Ca -0.16 -0.50 -0.00 0.00 -0.60 0.00 0.00 54.58 53.31 2qe3 n ASN 69 Cb 0.56 -4.67 -0.00 0.00 -0.53 0.00 0.00 39.78 35.15 2qe3 n ASN 69 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qe3 n LYS 70 N -4.56 -0.76 -4.36 1.20 5.02 -1.26 -4.99 118.16 108.46 2qe3 n LYS 70 Ca -0.02 0.21 -0.26 0.00 -2.02 0.00 0.00 58.31 56.22 2qe3 n LYS 70 Cb 0.57 -3.80 -0.10 0.00 -0.02 0.00 0.00 35.03 31.68 2qe3 n LYS 70 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2qe3 s PHE 71 N -1.64 2.48 -0.25 2.13 0.08 -0.55 -4.51 117.98 115.72 2qe3 s PHE 71 Ca 0.00 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 56.65 2qe3 s PHE 71 Cb 0.00 -1.20 -0.05 0.00 -0.57 0.00 0.00 43.02 41.21 2qe3 s PHE 71 CO 0.00 0.54 0.21 -1.17 -0.10 0.00 0.00 175.22 174.69 2qe3 s LEU 72 N -2.91 4.09 -0.33 -0.37 2.96 0.31 -1.03 118.68 121.39 2qe3 s LEU 72 Ca 0.24 0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 54.19 2qe3 s LEU 72 Cb -0.08 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.45 2qe3 s LEU 72 CO 0.14 0.00 0.16 -0.22 -1.32 0.00 0.00 176.35 175.11 2qe3 s LEU 73 N 1.33 4.30 -0.10 -0.68 0.20 0.24 -0.88 118.68 123.10 2qe3 s LEU 73 Ca 0.09 -0.72 -0.29 0.00 0.69 0.00 0.00 54.13 53.90 2qe3 s LEU 73 Cb -0.14 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.58 2qe3 s LEU 73 CO 0.07 -0.26 1.51 -0.63 -0.29 0.00 0.00 176.35 176.75 2qe3 s ILE 74 N 1.58 3.84 -2.44 6.68 -1.09 -0.61 -2.43 121.20 126.73 2qe3 s ILE 74 Ca 0.03 1.01 0.23 0.00 -2.23 0.00 0.00 60.65 59.70 2qe3 s ILE 74 Cb -0.18 -3.66 0.45 0.00 -1.58 0.00 0.00 42.46 37.50 2qe3 s ILE 74 CO 0.06 -0.09 1.55 -0.81 -1.23 0.00 0.00 174.94 174.42 2qe3 n PRO 75 N 6.95 1.88 -3.64 2.79 -0.04 -1.26 0.59 135.00 142.27 2qe3 n PRO 75 Ca 0.16 -1.31 -0.08 0.00 -0.04 0.00 0.00 63.50 62.23 2qe3 n PRO 75 Cb 0.44 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 2qe3 n PRO 75 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2qe3 s GLU 76 N -1.83 0.72 0.27 0.54 2.12 -1.26 -4.85 118.70 114.41 2qe3 s GLU 76 Ca 0.34 1.17 -0.29 0.00 0.36 0.00 0.00 54.97 56.54 2qe3 s GLU 76 Cb 0.19 0.18 -0.09 0.00 0.26 0.00 0.00 34.13 34.67 2qe3 s GLU 76 CO 0.29 -0.14 1.13 -1.12 -0.54 0.00 0.00 175.26 174.89 2qe3 s SER 77 N 1.42 7.19 0.00 -1.70 0.01 -1.26 -4.04 113.70 115.32 2qe3 s SER 77 Ca -0.08 2.31 0.00 0.00 1.31 0.00 0.00 55.95 59.49 2qe3 s SER 77 Cb -0.05 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2qe3 s SER 77 CO -0.16 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2qe3 n GLY 78 N 1.29 -1.54 3.69 3.44 0.00 -0.12 -4.82 105.19 107.13 2qe3 n GLY 78 Ca -0.00 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 2qe3 n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qe3 s ASP 79 N -2.78 6.26 0.11 1.61 1.01 -1.26 -0.95 116.67 120.66 2qe3 s ASP 79 Ca 0.00 0.29 0.08 0.00 0.71 0.00 0.00 52.55 53.63 2qe3 s ASP 79 Cb 0.00 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 2qe3 s ASP 79 CO 0.00 0.07 -0.14 -0.31 0.21 0.00 0.00 175.17 175.00 2qe3 s TYR 80 N 0.84 2.63 -0.12 4.23 2.02 0.22 -0.38 117.35 126.79 2qe3 s TYR 80 Ca 0.12 -0.21 -0.04 0.00 -0.37 0.00 0.00 57.07 56.56 2qe3 s TYR 80 Cb -0.13 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2qe3 s TYR 80 CO 0.04 0.40 0.04 0.12 -1.57 0.00 0.00 175.55 174.57 2qe3 s PHE 81 N -1.17 3.25 0.05 2.71 5.36 -0.21 0.07 117.98 128.04 2qe3 s PHE 81 Ca 0.19 0.20 0.07 0.00 -0.96 0.00 0.00 56.93 56.43 2qe3 s PHE 81 Cb -0.11 -1.89 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2qe3 s PHE 81 CO 0.12 0.42 -0.19 0.42 -1.46 0.00 0.00 175.22 174.53 2qe3 s ILE 82 N -0.57 1.55 0.04 3.12 1.09 0.16 -0.82 121.20 125.75 2qe3 s ILE 82 Ca 0.10 -1.17 -0.21 0.00 -1.10 0.00 0.00 60.65 58.27 2qe3 s ILE 82 Cb -0.12 -1.36 0.05 0.00 -1.06 0.00 0.00 42.46 39.97 2qe3 s ILE 82 CO 0.02 0.15 0.49 -0.72 -0.10 0.00 0.00 174.94 174.78 2qe3 s TYR 83 N -0.83 -0.38 -0.13 3.97 -0.85 0.24 -0.93 117.35 118.43 2qe3 s TYR 83 Ca 0.06 0.44 -0.23 0.00 -0.52 0.00 0.00 57.07 56.82 2qe3 s TYR 83 Cb -0.09 0.30 0.06 0.00 0.38 0.00 0.00 41.96 42.61 2qe3 s TYR 83 CO 0.02 -0.61 0.57 0.45 -1.52 0.00 0.00 175.55 174.46 2qe3 s SER 84 N -1.89 -0.56 -0.07 -0.18 0.15 -0.05 0.19 113.70 111.30 2qe3 s SER 84 Ca -0.06 0.86 0.03 0.00 0.70 0.00 0.00 55.95 57.48 2qe3 s SER 84 Cb -0.01 0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 65.13 2qe3 s SER 84 CO -0.01 -0.37 -0.16 -1.58 1.20 0.00 0.00 173.24 172.33 2qe3 s GLN 85 N -0.42 2.70 -0.09 5.44 0.74 -0.71 -0.00 119.66 127.32 2qe3 s GLN 85 Ca -0.06 -0.73 0.03 0.00 0.05 0.00 0.00 55.36 54.66 2qe3 s GLN 85 Cb -0.03 -2.40 -0.01 0.00 1.10 0.00 0.00 33.01 31.67 2qe3 s GLN 85 CO 0.04 0.50 -0.18 0.08 -0.55 0.00 0.00 175.29 175.18 2qe3 s VAL 86 N -0.41 2.62 -0.10 1.34 1.01 0.26 -0.03 120.40 125.09 2qe3 s VAL 86 Ca 0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 2qe3 s VAL 86 Cb -0.12 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2qe3 s VAL 86 CO 0.02 0.56 0.29 -0.89 0.00 0.00 0.00 175.10 175.07 2qe3 s THR 87 N 0.00 5.27 -0.03 3.92 2.01 -1.14 -1.27 115.64 124.40 2qe3 s THR 87 Ca -0.06 0.55 0.02 0.00 0.31 0.00 0.00 61.69 62.51 2qe3 s THR 87 Cb -0.15 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2qe3 s THR 87 CO 0.05 0.51 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.06 2qe3 s PHE 88 N -0.40 2.92 0.03 4.92 0.08 0.52 -1.15 117.98 124.90 2qe3 s PHE 88 Ca 0.18 -0.00 0.01 0.00 0.12 0.00 0.00 56.93 57.24 2qe3 s PHE 88 Cb -0.14 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2qe3 s PHE 88 CO 0.07 0.36 -0.05 -0.98 -0.10 0.00 0.00 175.22 174.52 2qe3 s ARG 89 N -1.16 0.40 1.17 0.44 1.04 0.50 0.20 118.95 121.55 2qe3 s ARG 89 Ca 0.15 -0.64 -0.19 0.00 -1.04 0.00 0.00 55.73 54.01 2qe3 s ARG 89 Cb -0.11 -0.10 0.28 0.00 -2.04 0.00 0.00 34.95 32.98 2qe3 s ARG 89 CO 0.05 0.00 1.15 0.20 -0.04 0.00 0.00 175.30 176.67 2qe3 s GLY 90 N -1.41 1.63 0.00 3.88 0.00 0.17 -4.66 107.32 106.92 2qe3 s GLY 90 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2qe3 s GLY 90 CO -0.00 -0.16 0.00 0.28 0.00 0.00 0.00 173.10 173.22 2qe3 n LYS 106 N -4.62 0.00 -3.71 2.90 5.02 -1.26 -4.65 118.16 111.84 2qe3 n LYS 106 Ca 0.14 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.22 2qe3 n LYS 106 Cb 0.60 -2.51 -0.04 0.00 -0.02 0.00 0.00 35.03 33.06 2qe3 n LYS 106 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qe3 s PRO 107 N -0.11 2.59 -0.12 1.97 0.04 -1.26 -5.08 135.00 133.03 2qe3 s PRO 107 Ca 0.00 -1.45 -0.12 0.00 0.04 0.00 0.00 61.00 59.47 2qe3 s PRO 107 Cb 0.00 -2.39 -0.26 0.00 0.04 0.00 0.00 34.50 31.89 2qe3 s PRO 107 CO 0.00 -0.06 0.43 -0.44 0.04 0.00 0.00 177.00 176.97 2qe3 h ASP 108 N 1.16 0.38 -5.03 6.66 3.32 -1.97 -3.43 116.42 117.51 2qe3 h ASP 108 Ca -0.43 -0.87 -0.06 0.00 0.02 0.00 0.00 57.03 55.70 2qe3 h ASP 108 Cb 1.26 -0.12 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 2qe3 h ASP 108 CO 0.58 1.74 0.01 -0.94 -1.72 0.00 0.00 179.24 178.92 2qe3 s SER 109 N -7.05 -0.38 0.19 6.45 1.04 -1.26 -1.72 113.70 110.97 2qe3 s SER 109 Ca -0.22 0.00 0.09 0.00 0.48 0.00 0.00 55.95 56.30 2qe3 s SER 109 Cb 0.06 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2qe3 s SER 109 CO 0.76 -0.78 -0.06 0.27 0.98 0.00 0.00 173.24 174.41 2qe3 s ILE 110 N -2.95 3.37 -0.20 -1.02 -4.36 0.36 -4.91 121.20 111.49 2qe3 s ILE 110 Ca -0.02 -1.63 -0.15 0.00 -0.26 0.00 0.00 60.65 58.59 2qe3 s ILE 110 Cb -0.00 -2.69 0.06 0.00 1.25 0.00 0.00 42.46 41.07 2qe3 s ILE 110 CO -0.06 -0.15 0.50 -0.89 0.24 0.00 0.00 174.94 174.59 2qe3 s THR 111 N -1.80 -0.01 0.02 8.37 2.01 -1.26 -0.84 115.64 122.14 2qe3 s THR 111 Ca 0.26 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.38 2qe3 s THR 111 Cb -0.09 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 2qe3 s THR 111 CO 0.17 0.01 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.17 2qe3 s VAL 112 N 0.85 2.22 -0.03 3.82 1.01 0.34 -1.60 120.40 127.01 2qe3 s VAL 112 Ca -0.05 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.69 2qe3 s VAL 112 Cb -0.05 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2qe3 s VAL 112 CO -0.07 0.43 -0.10 -0.69 0.00 0.00 0.00 175.10 174.68 2qe3 s VAL 113 N -0.76 0.84 -0.15 2.92 1.01 0.13 -0.66 120.40 123.73 2qe3 s VAL 113 Ca 0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 2qe3 s VAL 113 Cb -0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2qe3 s VAL 113 CO 0.01 0.26 0.01 -0.63 0.00 0.00 0.00 175.10 174.76 2qe3 s ILE 114 N 0.24 4.36 -0.02 2.22 1.01 -0.23 0.07 121.20 128.85 2qe3 s ILE 114 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 2qe3 s ILE 114 Cb -0.09 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.48 2qe3 s ILE 114 CO 0.01 0.51 0.05 -0.89 0.00 0.00 0.00 174.94 174.62 2qe3 s THR 115 N 0.01 -0.02 -0.10 2.92 2.01 -0.08 -1.55 115.64 118.84 2qe3 s THR 115 Ca 0.03 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 2qe3 s THR 115 Cb -0.13 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 2qe3 s THR 115 CO 0.02 0.03 0.00 -0.75 -0.69 0.00 0.00 174.62 173.23 2qe3 s LYS 116 N 0.38 3.10 -0.05 4.92 2.20 0.17 -1.53 119.74 128.92 2qe3 s LYS 116 Ca -0.03 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 2qe3 s LYS 116 Cb -0.04 -2.82 0.01 0.00 -1.51 0.00 0.00 37.83 33.47 2qe3 s LYS 116 CO -0.01 0.64 -0.10 0.08 -0.36 0.00 0.00 175.35 175.59 2qe3 s VAL 117 N -0.69 0.97 0.10 4.02 1.01 0.11 -0.42 120.40 125.50 2qe3 s VAL 117 Ca 0.11 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.75 2qe3 s VAL 117 Cb -0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2qe3 s VAL 117 CO 0.02 0.31 -0.15 0.28 0.00 0.00 0.00 175.10 175.56 2qe3 s THR 118 N 0.62 1.32 -0.41 3.92 -1.32 -1.26 0.10 115.64 118.60 2qe3 s THR 118 Ca -0.12 -1.55 0.25 0.00 -1.21 0.00 0.00 61.69 59.07 2qe3 s THR 118 Cb -0.14 -1.38 0.33 0.00 -1.51 0.00 0.00 72.50 69.81 2qe3 s THR 118 CO 0.02 -0.29 1.71 0.44 -2.21 0.00 0.00 174.62 174.29 2qe3 h ASP 119 N 3.87 0.00 -0.27 8.08 3.32 -1.97 -2.94 116.42 126.52 2qe3 h ASP 119 Ca -0.41 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.69 2qe3 h ASP 119 Cb 1.19 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 2qe3 h ASP 119 CO 0.45 0.00 -0.48 -1.28 -1.72 0.00 0.00 179.24 176.21 2qe3 h SER 120 N 0.00 -1.57 0.50 6.45 0.87 -1.99 -3.35 113.55 114.46 2qe3 h SER 120 Ca 0.00 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2qe3 h SER 120 Cb 0.84 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2qe3 h SER 120 CO 0.00 -0.42 -0.59 0.00 -0.53 0.00 0.00 176.83 175.28 2qe3 n TYR 121 N -5.42 0.08 0.00 2.24 9.36 -1.12 -4.94 117.16 117.36 2qe3 n TYR 121 Ca -0.03 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.21 2qe3 n TYR 121 Cb 0.36 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.78 2qe3 n TYR 121 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2qe3 n PRO 122 N -1.60 0.00 -1.92 2.98 -0.02 -1.14 -4.77 135.00 128.54 2qe3 n PRO 122 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 2qe3 n PRO 122 Cb 0.35 -0.40 -0.03 0.00 -0.02 0.00 0.00 33.50 33.41 2qe3 n PRO 122 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2qe3 s GLU 123 N 0.00 4.20 0.48 -0.52 0.41 -1.26 -4.98 118.70 117.03 2qe3 s GLU 123 Ca 0.00 2.35 -0.09 0.00 -0.41 0.00 0.00 54.97 56.83 2qe3 s GLU 123 Cb 0.00 -3.51 -0.05 0.00 -1.78 0.00 0.00 34.13 28.80 2qe3 s GLU 123 CO 0.00 -0.71 0.84 -1.25 -0.49 0.00 0.00 175.26 173.64 2qe3 s PRO 124 N 2.33 3.65 -0.04 0.39 0.04 -1.26 -4.73 135.00 135.39 2qe3 s PRO 124 Ca 0.73 0.43 0.04 0.00 0.04 0.00 0.00 61.00 62.25 2qe3 s PRO 124 Cb -0.41 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.81 2qe3 s PRO 124 CO 0.32 -0.22 -0.15 0.99 0.04 0.00 0.00 177.00 177.98 2qe3 s THR 125 N -2.69 1.29 -0.32 1.26 2.01 0.44 -4.97 115.64 112.65 2qe3 s THR 125 Ca 0.51 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 2qe3 s THR 125 Cb -0.10 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 2qe3 s THR 125 CO 0.41 0.37 0.19 -1.10 -0.69 0.00 0.00 174.62 173.81 2qe3 s GLN 126 N 0.01 3.47 -0.15 4.92 -0.21 -1.26 0.43 119.66 126.87 2qe3 s GLN 126 Ca -0.02 -0.64 -0.10 0.00 0.02 0.00 0.00 55.36 54.62 2qe3 s GLN 126 Cb -0.10 -3.67 -0.24 0.00 1.00 0.00 0.00 33.01 30.00 2qe3 s GLN 126 CO 0.01 -0.40 0.28 1.28 -2.12 0.00 0.00 175.29 174.34 2qe3 n LEU 127 N 5.04 2.48 -3.78 2.90 4.77 -0.59 -4.93 117.00 122.88 2qe3 n LEU 127 Ca -0.13 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 2qe3 n LEU 127 Cb 0.50 -1.07 -0.16 0.00 -2.33 0.00 0.00 43.42 40.36 2qe3 n LEU 127 CO 0.35 0.73 -0.33 -0.76 -1.33 0.00 0.00 177.39 176.05 2qe3 s LEU 128 N -7.21 1.10 -0.16 2.23 1.43 -0.85 -4.96 118.68 110.27 2qe3 s LEU 128 Ca -0.25 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2qe3 s LEU 128 Cb 0.07 0.02 0.04 0.00 0.03 0.00 0.00 46.19 46.34 2qe3 s LEU 128 CO 0.71 -0.12 -0.04 -0.32 0.23 0.00 0.00 176.35 176.81 2qe3 s MET 129 N 0.98 1.31 -0.38 1.70 1.75 -1.26 -1.07 119.30 122.34 2qe3 s MET 129 Ca -0.08 -0.44 -0.20 0.00 -1.25 0.00 0.00 55.69 53.72 2qe3 s MET 129 Cb -0.11 -1.90 0.01 0.00 2.84 0.00 0.00 34.83 35.66 2qe3 s MET 129 CO -0.03 -0.43 0.62 0.20 -0.65 0.00 0.00 175.02 174.74 2qe3 s GLY 130 N 1.68 1.75 -0.07 2.11 0.00 0.16 -4.92 107.32 108.03 2qe3 s GLY 130 Ca 0.01 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 43.80 2qe3 s GLY 130 CO -0.08 1.48 -0.19 -1.08 0.00 0.00 0.00 173.10 173.24 2qe3 s THR 131 N 2.71 1.60 -0.00 0.90 -1.32 -1.26 0.13 115.64 118.39 2qe3 s THR 131 Ca 0.23 -0.77 0.03 0.00 -1.21 0.00 0.00 61.69 59.96 2qe3 s THR 131 Cb -0.14 -1.40 -0.01 0.00 -1.51 0.00 0.00 72.50 69.44 2qe3 s THR 131 CO 0.16 0.46 -0.09 -0.75 -2.21 0.00 0.00 174.62 172.19 2qe3 s LYS 132 N 0.30 0.68 0.46 7.08 2.20 -0.02 -5.01 119.74 125.43 2qe3 s LYS 132 Ca -0.12 -0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 54.95 2qe3 s LYS 132 Cb -0.15 -0.65 -0.10 0.00 -1.51 0.00 0.00 37.83 35.42 2qe3 s LYS 132 CO 0.05 0.18 0.96 -1.54 -0.36 0.00 0.00 175.35 174.64 2qe3 s SER 133 N -0.31 6.82 -0.08 1.43 1.04 -1.26 -0.48 113.70 120.85 2qe3 s SER 133 Ca 0.02 1.67 -0.02 0.00 0.48 0.00 0.00 55.95 58.11 2qe3 s SER 133 Cb -0.04 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2qe3 s SER 133 CO -0.00 -0.45 0.02 -0.69 0.98 0.00 0.00 173.24 173.10 2qe3 s VAL 134 N -2.29 4.43 -0.42 5.02 1.01 -0.70 -4.84 120.40 122.62 2qe3 s VAL 134 Ca 0.61 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 2qe3 s VAL 134 Cb -0.10 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.46 2qe3 s VAL 134 CO 0.18 0.57 0.29 0.00 0.00 0.00 0.00 175.10 176.14 2qe3 n GLU 136 N 5.02 1.68 -3.07 0.00 0.00 -1.26 -4.80 120.64 118.21 2qe3 n GLU 136 Ca -0.11 -0.72 -0.44 0.00 0.00 0.00 0.00 57.16 55.89 2qe3 n GLU 136 Cb 0.44 -1.68 -0.05 0.00 0.00 0.00 0.00 31.44 30.15 2qe3 n GLU 136 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2qe3 s VAL 137 N 0.56 4.74 0.00 3.84 1.01 -1.26 -4.61 120.40 124.68 2qe3 s VAL 137 Ca 0.45 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2qe3 s VAL 137 Cb 0.22 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2qe3 s VAL 137 CO -0.01 -1.09 0.00 0.61 0.00 0.00 0.00 175.10 174.61 2qe3 n GLY 138 N 5.25 -0.57 3.07 4.51 0.00 -1.26 -4.50 105.19 111.69 2qe3 n GLY 138 Ca -0.07 0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2qe3 n GLY 138 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qe3 n SER 139 N 0.00 6.01 -4.28 1.61 3.41 -1.26 -5.06 113.62 114.04 2qe3 n SER 139 Ca 0.00 -3.28 -0.45 0.00 -0.26 0.00 0.00 58.87 54.89 2qe3 n SER 139 Cb 0.00 -1.34 -0.04 0.00 -0.26 0.00 0.00 64.21 62.57 2qe3 n SER 139 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2qe3 s ASN 140 N -0.58 6.35 0.39 4.04 3.04 -1.26 -4.75 114.94 122.17 2qe3 s ASN 140 Ca 0.33 -2.50 0.08 0.00 0.04 0.00 0.00 52.86 50.81 2qe3 s ASN 140 Cb 0.02 -2.14 -0.07 0.00 -1.54 0.00 0.00 41.25 37.52 2qe3 s ASN 140 CO 0.05 -0.60 -0.02 -1.66 -3.04 0.00 0.00 177.10 171.83 2qe3 s TRP 141 N 0.47 2.49 -0.16 0.43 1.48 -1.26 -4.91 118.94 117.48 2qe3 s TRP 141 Ca 0.14 -0.61 -0.26 0.00 -1.06 0.00 0.00 56.10 54.30 2qe3 s TRP 141 Cb -0.16 -1.66 0.07 0.00 -1.16 0.00 0.00 33.47 30.56 2qe3 s TRP 141 CO -0.05 0.49 0.67 -0.59 -4.06 0.00 0.00 176.95 173.40 2qe3 s PHE 142 N -2.68 -0.69 -0.02 1.66 -0.71 -1.26 0.44 117.98 114.73 2qe3 s PHE 142 Ca 0.34 1.47 0.00 0.00 -1.04 0.00 0.00 56.93 57.71 2qe3 s PHE 142 Cb 0.07 0.31 0.02 0.00 -1.21 0.00 0.00 43.02 42.22 2qe3 s PHE 142 CO 0.18 -0.46 0.02 -0.65 -1.34 0.00 0.00 175.22 172.96 2qe3 s GLN 143 N -0.35 0.03 0.46 1.99 -0.21 0.13 -4.97 119.66 116.74 2qe3 s GLN 143 Ca -0.05 0.12 -0.20 0.00 0.02 0.00 0.00 55.36 55.25 2qe3 s GLN 143 Cb -0.03 -0.23 -0.10 0.00 1.00 0.00 0.00 33.01 33.65 2qe3 s GLN 143 CO 0.05 -0.12 0.98 -1.25 -2.12 0.00 0.00 175.29 172.83 2qe3 s PRO 144 N 0.81 4.06 -0.03 2.91 0.04 -1.26 0.20 135.00 141.73 2qe3 s PRO 144 Ca -0.07 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2qe3 s PRO 144 Cb -0.10 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.32 2qe3 s PRO 144 CO -0.02 -0.18 0.00 0.42 0.04 0.00 0.00 177.00 177.26 2qe3 s ILE 145 N -2.18 0.16 -0.06 0.56 1.01 -0.40 -4.91 121.20 115.38 2qe3 s ILE 145 Ca 0.63 0.10 0.02 0.00 0.00 0.00 0.00 60.65 61.40 2qe3 s ILE 145 Cb -0.11 -0.26 0.02 0.00 0.01 0.00 0.00 42.46 42.11 2qe3 s ILE 145 CO 0.17 0.14 -0.10 -0.47 0.00 0.00 0.00 174.94 174.69 2qe3 s TYR 146 N 1.07 1.23 0.10 3.97 5.04 -1.26 -0.58 117.35 126.93 2qe3 s TYR 146 Ca -0.09 -0.43 0.08 0.00 -2.44 0.00 0.00 57.07 54.18 2qe3 s TYR 146 Cb -0.13 -0.94 -0.03 0.00 0.35 0.00 0.00 41.96 41.20 2qe3 s TYR 146 CO -0.02 -0.25 -0.19 -0.51 -1.34 0.00 0.00 175.55 173.24 2qe3 s LEU 147 N 0.73 2.30 -0.27 6.97 1.43 1.00 -4.97 118.68 125.87 2qe3 s LEU 147 Ca -0.14 -0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 52.04 2qe3 s LEU 147 Cb -0.15 -0.81 0.07 0.00 0.03 0.00 0.00 46.19 45.33 2qe3 s LEU 147 CO 0.03 0.03 0.73 -0.83 0.23 0.00 0.00 176.35 176.54 2qe3 s GLY 148 N -1.91 -0.53 0.37 -3.19 0.00 -1.25 -0.87 107.32 99.93 2qe3 s GLY 148 Ca 0.05 2.09 -0.07 0.00 0.00 0.00 0.00 44.72 46.79 2qe3 s GLY 148 CO 0.04 1.81 0.61 0.00 0.00 0.00 0.00 173.10 175.56 2qe3 s ALA 149 N 0.47 0.20 -0.05 3.20 0.00 -0.11 -4.93 121.76 120.55 2qe3 s ALA 149 Ca -0.01 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 2qe3 s ALA 149 Cb -0.05 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 2qe3 s ALA 149 CO -0.01 -0.87 0.21 1.41 0.00 0.00 0.00 175.76 176.50 2qe3 s MET 150 N -2.63 3.53 -0.01 0.00 -2.45 -1.26 0.36 119.30 116.83 2qe3 s MET 150 Ca 0.25 -0.10 -0.10 0.00 -1.25 0.00 0.00 55.69 54.49 2qe3 s MET 150 Cb -0.02 -3.14 0.01 0.00 1.25 0.00 0.00 34.83 32.92 2qe3 s MET 150 CO 0.17 0.71 0.20 -0.06 1.05 0.00 0.00 175.02 177.09 2qe3 s PHE 151 N -1.17 -0.05 -0.25 4.11 0.08 0.11 -4.96 117.98 115.84 2qe3 s PHE 151 Ca 0.22 0.06 -0.21 0.00 0.12 0.00 0.00 56.93 57.12 2qe3 s PHE 151 Cb -0.13 0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.31 2qe3 s PHE 151 CO 0.11 -0.30 0.66 0.45 -0.10 0.00 0.00 175.22 176.04 2qe3 s SER 152 N -1.22 6.61 0.02 1.36 0.15 -1.26 0.71 113.70 120.07 2qe3 s SER 152 Ca -0.13 0.74 0.06 0.00 0.70 0.00 0.00 55.95 57.33 2qe3 s SER 152 Cb -0.06 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2qe3 s SER 152 CO 0.02 -0.40 -0.19 -0.76 1.20 0.00 0.00 173.24 173.12 2qe3 s LEU 153 N 2.56 2.12 0.29 3.45 1.43 -0.13 -4.99 118.68 123.41 2qe3 s LEU 153 Ca 0.27 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2qe3 s LEU 153 Cb -0.15 -0.92 -0.10 0.00 0.03 0.00 0.00 46.19 45.05 2qe3 s LEU 153 CO 0.08 0.17 1.12 -1.10 0.23 0.00 0.00 176.35 176.85 2qe3 s GLN 154 N -0.90 4.61 0.18 1.70 -1.52 -1.26 -0.94 119.66 121.53 2qe3 s GLN 154 Ca 0.07 1.85 -0.33 0.00 -1.95 0.00 0.00 55.36 55.00 2qe3 s GLN 154 Cb -0.08 -3.18 -0.15 0.00 -0.22 0.00 0.00 33.01 29.38 2qe3 s GLN 154 CO 0.01 0.17 1.20 -1.91 -0.25 0.00 0.00 175.29 174.52 2qe3 n GLU 155 N 1.15 1.29 0.00 2.91 2.13 -1.26 -1.24 120.64 125.62 2qe3 n GLU 155 Ca -0.01 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.27 2qe3 n GLU 155 Cb 0.44 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.17 2qe3 n GLU 155 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qe3 n GLY 156 N 2.06 1.28 3.76 8.31 0.00 0.20 -4.88 105.19 115.91 2qe3 n GLY 156 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2qe3 n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qe3 s ASP 157 N -1.69 4.86 -0.03 1.61 1.01 -0.38 -4.77 116.67 117.29 2qe3 s ASP 157 Ca 0.00 2.07 0.06 0.00 0.71 0.00 0.00 52.55 55.39 2qe3 s ASP 157 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2qe3 s ASP 157 CO 0.00 -1.80 -0.21 -0.54 0.21 0.00 0.00 175.17 172.82 2qe3 s LYS 158 N -4.10 2.26 -0.02 8.23 1.02 0.11 -1.57 119.74 125.67 2qe3 s LYS 158 Ca 0.68 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.87 2qe3 s LYS 158 Cb -0.22 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 2qe3 s LYS 158 CO 0.43 0.58 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.79 2qe3 s LEU 159 N -0.67 1.95 0.12 3.17 1.43 -0.05 0.09 118.68 124.71 2qe3 s LEU 159 Ca 0.11 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2qe3 s LEU 159 Cb -0.10 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 2qe3 s LEU 159 CO -0.00 0.15 0.18 0.00 0.23 0.00 0.00 176.35 176.91 2qe3 s MET 160 N -0.13 0.95 -0.07 1.70 0.23 -0.58 0.11 119.30 121.50 2qe3 s MET 160 Ca 0.01 -1.16 0.01 0.00 -1.03 0.00 0.00 55.69 53.53 2qe3 s MET 160 Cb -0.08 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 2qe3 s MET 160 CO 0.00 -0.31 -0.09 0.08 -2.03 0.00 0.00 175.02 172.68 2qe3 s VAL 161 N -3.94 3.53 -0.01 5.16 1.01 -1.26 -0.90 120.40 123.99 2qe3 s VAL 161 Ca 0.13 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2qe3 s VAL 161 Cb 0.05 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2qe3 s VAL 161 CO -0.04 0.59 -0.15 0.20 0.00 0.00 0.00 175.10 175.69 2qe3 s ASN 162 N -0.67 1.81 0.30 3.32 0.01 0.11 -1.11 114.94 118.71 2qe3 s ASN 162 Ca 0.10 -0.29 0.09 0.00 -0.71 0.00 0.00 52.86 52.04 2qe3 s ASN 162 Cb -0.11 -0.19 -0.06 0.00 0.41 0.00 0.00 41.25 41.29 2qe3 s ASN 162 CO 0.01 0.18 -0.10 0.68 -1.51 0.00 0.00 177.10 176.36 2qe3 s VAL 163 N -0.40 2.03 0.34 1.60 -7.23 -0.70 0.18 120.40 116.21 2qe3 s VAL 163 Ca 0.06 -2.21 0.16 0.00 -1.81 0.00 0.00 61.98 58.17 2qe3 s VAL 163 Cb -0.06 -2.48 0.12 0.00 0.56 0.00 0.00 36.38 34.52 2qe3 s VAL 163 CO -0.00 -0.30 1.83 0.77 -0.31 0.00 0.00 175.10 177.09 2qe3 h SER 164 N 2.19 0.00 -0.77 4.85 4.64 -1.63 -3.33 113.55 119.50 2qe3 h SER 164 Ca -0.41 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.01 2qe3 h SER 164 Cb 1.24 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.13 2qe3 h SER 164 CO 0.67 0.35 -0.26 -0.62 -0.87 0.00 0.00 176.83 176.10 2qe3 s ASP 165 N -6.74 -1.25 0.54 4.97 -1.08 -1.26 -4.89 116.67 106.96 2qe3 s ASP 165 Ca -0.02 0.20 0.22 0.00 -0.52 0.00 0.00 52.55 52.42 2qe3 s ASP 165 Cb 0.14 1.81 1.47 0.00 -1.46 0.00 0.00 42.92 44.88 2qe3 s ASP 165 CO 0.70 -0.23 2.17 -0.29 0.52 0.00 0.00 175.17 178.05 2qe3 h ILE 166 N 5.57 0.80 0.00 4.11 2.10 -1.94 0.17 117.51 128.32 2qe3 h ILE 166 Ca -0.05 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.80 2qe3 h ILE 166 Cb 1.18 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 2qe3 h ILE 166 CO 0.08 0.02 0.00 -1.54 -1.08 0.00 0.00 178.15 175.63 2qe3 n SER 167 N -4.20 0.17 -0.10 2.19 3.41 -1.26 -2.69 113.62 111.14 2qe3 n SER 167 Ca -0.03 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 2qe3 n SER 167 Cb 0.11 -0.57 0.44 0.00 -0.26 0.00 0.00 64.21 63.93 2qe3 n SER 167 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qe3 n LEU 168 N -1.67 0.56 -4.79 1.04 4.77 0.59 -4.91 117.00 112.59 2qe3 n LEU 168 Ca 0.06 -0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.64 2qe3 n LEU 168 Cb 0.30 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2qe3 n LEU 168 CO 0.24 0.12 0.40 -0.69 -1.33 0.00 0.00 177.39 176.13 2qe3 s VAL 169 N -2.71 4.51 -0.42 4.08 1.01 -1.10 -0.37 120.40 125.41 2qe3 s VAL 169 Ca 0.20 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.42 2qe3 s VAL 169 Cb 0.19 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2qe3 s VAL 169 CO 0.56 0.53 1.13 -0.62 0.00 0.00 0.00 175.10 176.70 2qe3 s ASP 170 N -1.10 6.73 0.00 3.32 -1.08 -0.30 -4.84 116.67 119.39 2qe3 s ASP 170 Ca 0.33 0.70 0.24 0.00 -0.52 0.00 0.00 52.55 53.30 2qe3 s ASP 170 Cb -0.22 -2.55 0.40 0.00 -1.46 0.00 0.00 42.92 39.09 2qe3 s ASP 170 CO 0.24 -1.13 1.38 0.00 0.52 0.00 0.00 175.17 176.18 2qe3 n TYR 171 N 7.53 0.29 0.01 -5.34 0.18 -1.26 -4.50 117.16 114.07 2qe3 n TYR 171 Ca 0.12 -0.14 -0.18 0.00 1.88 0.00 0.00 57.90 59.58 2qe3 n TYR 171 Cb 0.48 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.34 2qe3 n TYR 171 CO 0.00 0.00 0.00 1.79 -2.08 0.00 0.00 176.86 176.57 2qe3 h THR 172 N 4.30 1.36 -3.67 -3.48 1.35 -1.92 -3.37 112.91 107.47 2qe3 h THR 172 Ca 0.00 -2.10 -0.67 0.00 -0.55 0.00 0.00 66.41 63.08 2qe3 h THR 172 Cb 0.93 2.44 -0.19 0.00 -1.73 0.00 0.00 68.15 69.60 2qe3 h THR 172 CO 0.00 0.63 -0.81 -0.54 -0.25 0.00 0.00 175.52 174.55 2qe3 s LYS 173 N -3.33 1.72 0.00 4.72 -0.14 -1.26 -5.02 119.74 116.43 2qe3 s LYS 173 Ca -0.12 -1.23 0.27 0.00 -1.36 0.00 0.00 55.97 53.52 2qe3 s LYS 173 Cb 0.05 -2.07 1.34 0.00 -1.68 0.00 0.00 37.83 35.48 2qe3 s LYS 173 CO 0.86 0.47 1.90 -0.85 -0.76 0.00 0.00 175.35 176.97 2qe3 n GLU 174 N 0.73 0.39 -0.24 1.68 0.28 -1.26 -3.31 120.64 118.91 2qe3 n GLU 174 Ca -0.15 0.04 0.06 0.00 -0.16 0.00 0.00 57.16 56.94 2qe3 n GLU 174 Cb 0.53 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 32.08 2qe3 n GLU 174 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2qe3 n ASP 175 N -1.28 3.17 -0.06 -1.84 5.75 -1.26 -4.44 116.55 116.59 2qe3 n ASP 175 Ca 0.13 -2.22 -0.08 0.00 -0.01 0.00 0.00 54.79 52.61 2qe3 n ASP 175 Cb 0.21 -0.31 -0.07 0.00 -1.03 0.00 0.00 41.12 39.93 2qe3 n ASP 175 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qe3 n LYS 176 N 0.33 0.92 -4.52 0.11 5.02 -1.21 -4.96 118.16 113.85 2qe3 n LYS 176 Ca 0.14 0.05 -0.28 0.00 -2.02 0.00 0.00 58.31 56.20 2qe3 n LYS 176 Cb 0.53 -1.26 -0.17 0.00 -0.02 0.00 0.00 35.03 34.11 2qe3 n LYS 176 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qe3 s THR 177 N -2.26 1.48 0.31 -0.18 2.01 -1.26 -2.90 115.64 112.84 2qe3 s THR 177 Ca -0.14 -0.64 -0.14 0.00 0.31 0.00 0.00 61.69 61.08 2qe3 s THR 177 Cb 0.04 -1.34 0.05 0.00 0.01 0.00 0.00 72.50 71.26 2qe3 s THR 177 CO 0.34 0.44 0.73 2.22 -0.69 0.00 0.00 174.62 177.65 2qe3 n PHE 178 N 4.11 -2.04 -3.64 4.92 1.16 0.95 -1.75 117.46 121.17 2qe3 n PHE 178 Ca -0.19 -1.54 -0.06 0.00 -1.87 0.00 0.00 57.45 53.79 2qe3 n PHE 178 Cb 0.51 0.77 -0.07 0.00 -1.61 0.00 0.00 39.48 39.08 2qe3 n PHE 178 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 2qe3 s PHE 179 N -2.96 -0.55 0.01 2.97 5.36 0.04 -1.73 117.98 121.12 2qe3 s PHE 179 Ca 0.15 1.19 -0.25 0.00 -0.96 0.00 0.00 56.93 57.06 2qe3 s PHE 179 Cb -0.04 0.37 0.06 0.00 -0.34 0.00 0.00 43.02 43.07 2qe3 s PHE 179 CO 0.09 -0.27 0.58 0.20 -1.46 0.00 0.00 175.22 174.36 2qe3 s GLY 180 N 0.87 -0.49 -0.08 13.12 0.00 0.50 0.66 107.32 121.90 2qe3 s GLY 180 Ca -0.04 0.85 -0.22 0.00 0.00 0.00 0.00 44.72 45.32 2qe3 s GLY 180 CO -0.12 0.53 0.51 0.00 0.00 0.00 0.00 173.10 174.03 2qe3 s ALA 181 N -1.99 -1.30 0.04 3.20 0.00 -0.06 0.80 121.76 122.45 2qe3 s ALA 181 Ca -0.08 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 2qe3 s ALA 181 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2qe3 s ALA 181 CO 0.02 -0.30 0.02 -0.59 0.00 0.00 0.00 175.76 174.91 2qe3 s PHE 182 N -0.78 0.33 0.11 0.00 -0.12 -0.00 -1.20 117.98 116.32 2qe3 s PHE 182 Ca -0.08 -0.70 -0.30 0.00 -0.05 0.00 0.00 56.93 55.79 2qe3 s PHE 182 Cb -0.03 -0.24 -0.06 0.00 -0.63 0.00 0.00 43.02 42.06 2qe3 s PHE 182 CO 0.05 -0.32 1.18 -1.17 -0.05 0.00 0.00 175.22 174.91 2qe3 s LEU 183 N -2.20 4.41 0.00 -1.99 2.96 -0.33 -1.05 118.68 120.48 2qe3 s LEU 183 Ca -0.04 2.07 0.20 0.00 -0.22 0.00 0.00 54.13 56.14 2qe3 s LEU 183 Cb -0.01 -3.59 1.18 0.00 0.50 0.00 0.00 46.19 44.28 2qe3 s LEU 183 CO -0.05 -0.41 1.57 0.18 -1.32 0.00 0.00 176.35 176.32