#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqn s THR 2 N 0.00 5.34 -0.24 0.00 -4.23 -1.26 -0.28 115.64 114.97 2oqn s THR 2 Ca 0.00 0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2oqn s THR 2 Cb 0.00 -3.53 0.05 0.00 1.34 0.00 0.00 72.50 70.36 2oqn s THR 2 CO 0.00 0.54 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.15 2oqn s PHE 3 N -0.59 2.92 -0.22 3.99 0.40 -0.24 -1.53 117.98 122.71 2oqn s PHE 3 Ca 0.17 -2.03 -0.23 0.00 -0.60 0.00 0.00 56.93 54.23 2oqn s PHE 3 Cb -0.13 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 2oqn s PHE 3 CO 0.06 -0.83 0.76 -2.00 0.70 0.00 0.00 175.22 173.90 2oqn s GLU 4 N 1.22 4.19 -0.27 0.44 2.12 -0.09 -1.00 118.70 125.30 2oqn s GLU 4 Ca -0.06 0.82 -0.07 0.00 0.36 0.00 0.00 54.97 56.03 2oqn s GLU 4 Cb -0.18 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 2oqn s GLU 4 CO -0.07 -0.42 0.08 0.42 -0.54 0.00 0.00 175.26 174.74 2oqn s ILE 5 N 2.49 4.21 -0.14 -3.70 1.01 0.70 -0.62 121.20 125.15 2oqn s ILE 5 Ca 0.33 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.59 2oqn s ILE 5 Cb -0.16 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2oqn s ILE 5 CO 0.09 0.21 -0.18 -0.69 0.00 0.00 0.00 174.94 174.36 2oqn s VAL 6 N 1.57 2.41 -0.59 2.92 1.01 0.58 -0.23 120.40 128.07 2oqn s VAL 6 Ca 0.05 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 2oqn s VAL 6 Cb -0.16 -1.99 0.10 0.00 0.00 0.00 0.00 36.38 34.33 2oqn s VAL 6 CO 0.03 0.53 0.73 0.21 0.00 0.00 0.00 175.10 176.61 2oqn s ASN 7 N 0.74 6.18 0.00 3.32 2.47 -0.38 -0.76 114.94 126.51 2oqn s ASN 7 Ca -0.08 -1.34 0.26 0.00 0.42 0.00 0.00 52.86 52.12 2oqn s ASN 7 Cb -0.16 -2.32 0.75 0.00 -1.45 0.00 0.00 41.25 38.07 2oqn s ASN 7 CO 0.01 -1.14 1.57 -1.14 -3.72 0.00 0.00 177.10 172.68 2oqn n ARG 8 N 6.49 1.90 -1.85 0.43 0.63 -0.36 0.36 116.66 124.26 2oqn n ARG 8 Ca -0.09 -1.32 -0.34 0.00 -0.92 0.00 0.00 57.85 55.19 2oqn n ARG 8 Cb 0.43 -1.47 0.04 0.00 0.45 0.00 0.00 32.46 31.92 2oqn n ARG 8 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2oqn n SER 10 N -2.13 0.21 -4.58 0.00 3.41 -1.26 -4.35 113.62 104.93 2oqn n SER 10 Ca 0.11 0.55 -0.23 0.00 -0.26 0.00 0.00 58.87 59.04 2oqn n SER 10 Cb 0.51 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 2oqn n SER 10 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2oqn s TYR 11 N -3.09 2.55 0.26 7.33 -0.85 -1.26 -4.79 117.35 117.50 2oqn s TYR 11 Ca 0.07 -0.27 -0.29 0.00 -0.52 0.00 0.00 57.07 56.06 2oqn s TYR 11 Cb 0.10 -1.13 -0.09 0.00 0.38 0.00 0.00 41.96 41.22 2oqn s TYR 11 CO 0.34 0.65 1.28 0.99 -1.52 0.00 0.00 175.55 177.29 2oqn s THR 12 N -2.40 3.06 0.13 -3.49 2.01 -1.26 -4.25 115.64 109.44 2oqn s THR 12 Ca 0.31 0.96 0.09 0.00 0.31 0.00 0.00 61.69 63.37 2oqn s THR 12 Cb -0.06 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2oqn s THR 12 CO 0.18 0.19 -0.22 0.68 -0.69 0.00 0.00 174.62 174.76 2oqn s VAL 13 N -0.55 1.92 -0.44 3.82 -7.23 -0.63 -4.59 120.40 112.70 2oqn s VAL 13 Ca 0.52 -1.73 -0.09 0.00 -1.81 0.00 0.00 61.98 58.87 2oqn s VAL 13 Cb -0.37 -1.77 0.09 0.00 0.56 0.00 0.00 36.38 34.89 2oqn s VAL 13 CO 0.44 -0.09 0.29 0.26 -0.31 0.00 0.00 175.10 175.69 2oqn s TRP 14 N -1.39 3.38 0.60 2.82 0.51 0.62 -0.57 118.94 124.90 2oqn s TRP 14 Ca 0.12 -1.67 -0.18 0.00 -2.12 0.00 0.00 56.10 52.24 2oqn s TRP 14 Cb -0.09 -3.17 -0.03 0.00 -0.81 0.00 0.00 33.47 29.37 2oqn s TRP 14 CO 0.06 -0.91 1.15 0.00 -0.51 0.00 0.00 176.95 176.74 2oqn s ALA 15 N 1.40 2.56 0.01 0.98 0.00 -0.37 -0.96 121.76 125.38 2oqn s ALA 15 Ca 0.04 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2oqn s ALA 15 Cb -0.24 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2oqn s ALA 15 CO 0.01 -1.06 -0.02 0.00 0.00 0.00 0.00 175.76 174.69 2oqn s ALA 16 N -1.89 0.14 -0.13 0.00 0.00 -0.28 -1.92 121.76 117.68 2oqn s ALA 16 Ca 0.72 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 2oqn s ALA 16 Cb -0.25 0.03 0.07 0.00 0.00 0.00 0.00 23.12 22.97 2oqn s ALA 16 CO 0.33 -0.03 0.27 0.00 0.00 0.00 0.00 175.76 176.32 2oqn s ALA 17 N -0.56 -0.56 0.11 0.00 0.00 -0.28 -1.76 121.76 118.71 2oqn s ALA 17 Ca -0.05 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 2oqn s ALA 17 Cb -0.04 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.06 2oqn s ALA 17 CO -0.00 -0.66 0.30 0.45 0.00 0.00 0.00 175.76 175.85 2oqn s SER 18 N 2.42 -0.06 -0.07 0.00 0.15 -0.60 -1.36 113.70 114.18 2oqn s SER 18 Ca 0.01 -0.49 0.13 0.00 0.70 0.00 0.00 55.95 56.31 2oqn s SER 18 Cb -0.12 0.41 0.41 0.00 -1.71 0.00 0.00 66.02 65.01 2oqn s SER 18 CO -0.09 -0.80 1.33 2.29 1.20 0.00 0.00 173.24 177.18 2oqn n LYS 19 N -0.15 2.94 0.00 5.44 2.85 -0.23 -0.92 118.16 128.09 2oqn n LYS 19 Ca -0.15 -2.37 0.00 0.00 -1.05 0.00 0.00 58.31 54.74 2oqn n LYS 19 Cb 0.63 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 2oqn n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2oqn n GLY 20 N 0.20 3.11 0.14 2.58 0.00 -1.26 -4.66 105.19 105.29 2oqn n GLY 20 Ca 0.16 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.27 2oqn n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2oqn n ASP 21 N 0.86 2.11 -3.52 1.61 5.75 -1.26 -4.37 116.55 117.73 2oqn n ASP 21 Ca 0.00 -1.92 -0.13 0.00 -0.01 0.00 0.00 54.79 52.73 2oqn n ASP 21 Cb 0.00 -0.05 -0.04 0.00 -1.03 0.00 0.00 41.12 40.00 2oqn n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2oqn s ALA 22 N -0.93 -1.82 0.62 2.12 0.00 -0.80 -4.98 121.76 115.98 2oqn s ALA 22 Ca 0.05 1.25 -0.17 0.00 0.00 0.00 0.00 51.96 53.09 2oqn s ALA 22 Cb 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2oqn s ALA 22 CO 0.03 -0.46 1.14 0.00 0.00 0.00 0.00 175.76 176.47 2oqn s ALA 23 N -1.87 2.50 -0.21 0.00 0.00 -1.24 -1.07 121.76 119.87 2oqn s ALA 23 Ca -0.03 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.59 2oqn s ALA 23 Cb -0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2oqn s ALA 23 CO 0.00 -1.18 0.08 -0.51 0.00 0.00 0.00 175.76 174.15 2oqn s LEU 24 N -4.47 3.76 0.00 0.00 1.43 -0.47 -4.70 118.68 114.25 2oqn s LEU 24 Ca 0.71 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 2oqn s LEU 24 Cb -0.24 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2oqn s LEU 24 CO 0.36 0.10 0.00 -0.67 0.23 0.00 0.00 176.35 176.37 2oqn n ASP 25 N 4.02 0.00 0.06 2.29 -0.08 -1.26 -1.30 116.55 120.29 2oqn n ASP 25 Ca -0.16 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.19 2oqn n ASP 25 Cb 0.52 0.00 0.31 0.00 2.34 0.00 0.00 41.12 44.29 2oqn n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2oqn n ALA 26 N 7.52 1.35 0.00 -1.67 0.00 -1.26 -4.89 120.51 121.56 2oqn n ALA 26 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2oqn n ALA 26 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2oqn n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oqn n GLY 27 N -0.69 2.69 3.59 0.00 0.00 -0.42 -4.40 105.19 105.96 2oqn n GLY 27 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2oqn n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oqn s GLY 28 N -0.67 -0.24 -0.13 -0.02 0.00 -1.25 -1.12 107.32 103.88 2oqn s GLY 28 Ca 0.00 1.87 -0.30 0.00 0.00 0.00 0.00 44.72 46.29 2oqn s GLY 28 CO 0.00 0.74 0.86 -1.60 0.00 0.00 0.00 173.10 173.11 2oqn s ARG 29 N -1.91 0.78 0.21 2.90 3.52 -0.81 -4.53 118.95 119.11 2oqn s ARG 29 Ca 0.06 0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.63 2oqn s ARG 29 Cb -0.01 0.37 -0.09 0.00 -1.56 0.00 0.00 34.95 33.66 2oqn s ARG 29 CO -0.04 -0.23 1.24 -1.14 -0.81 0.00 0.00 175.30 174.32 2oqn s GLN 30 N -0.95 4.46 -0.27 5.12 0.74 -1.26 -1.24 119.66 126.27 2oqn s GLN 30 Ca -0.05 1.96 0.01 0.00 0.05 0.00 0.00 55.36 57.33 2oqn s GLN 30 Cb -0.01 -3.20 0.08 0.00 1.10 0.00 0.00 33.01 30.97 2oqn s GLN 30 CO 0.04 -0.12 0.01 -0.51 -0.55 0.00 0.00 175.29 174.16 2oqn s LEU 31 N -0.47 2.71 0.93 3.68 1.43 0.26 -4.91 118.68 122.31 2oqn s LEU 31 Ca 0.53 -1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 2oqn s LEU 31 Cb -0.34 -1.12 0.15 0.00 0.03 0.00 0.00 46.19 44.91 2oqn s LEU 31 CO 0.39 -0.31 1.09 0.20 0.23 0.00 0.00 176.35 177.95 2oqn s ASN 32 N 1.42 3.11 -0.09 2.29 0.02 -1.26 -1.60 114.94 118.82 2oqn s ASN 32 Ca 0.01 1.55 -0.34 0.00 -1.02 0.00 0.00 52.86 53.07 2oqn s ASN 32 Cb -0.18 -2.22 -0.12 0.00 0.02 0.00 0.00 41.25 38.75 2oqn s ASN 32 CO -0.11 -2.88 1.89 -0.24 0.02 0.00 0.00 177.10 175.78 2oqn n SER 33 N -4.05 3.48 0.00 -1.22 2.88 -1.26 -1.12 113.62 112.33 2oqn n SER 33 Ca 0.07 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2oqn n SER 33 Cb 0.55 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2oqn n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2oqn n GLY 34 N 4.43 2.13 3.78 0.46 0.00 0.16 -5.04 105.19 111.11 2oqn n GLY 34 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 2oqn n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oqn s GLU 35 N -0.96 3.65 -0.03 1.61 2.02 -0.28 -4.72 118.70 119.99 2oqn s GLU 35 Ca 0.00 1.52 0.06 0.00 0.02 0.00 0.00 54.97 56.57 2oqn s GLU 35 Cb 0.00 -2.13 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 2oqn s GLU 35 CO 0.00 -0.58 -0.23 -1.12 0.02 0.00 0.00 175.26 173.35 2oqn s SER 36 N -1.80 2.71 -0.11 -0.19 0.01 -1.26 -1.25 113.70 111.80 2oqn s SER 36 Ca 0.68 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 57.51 2oqn s SER 36 Cb -0.21 -0.51 0.02 0.00 0.21 0.00 0.00 66.02 65.53 2oqn s SER 36 CO 0.25 0.25 -0.08 0.86 0.41 0.00 0.00 173.24 174.92 2oqn s TRP 37 N -0.32 1.52 -0.22 2.43 -0.00 0.68 -4.97 118.94 118.05 2oqn s TRP 37 Ca 0.03 -0.76 -0.12 0.00 -0.00 0.00 0.00 56.10 55.25 2oqn s TRP 37 Cb -0.11 -1.25 -0.05 0.00 -0.00 0.00 0.00 33.47 32.07 2oqn s TRP 37 CO 0.01 -0.51 0.21 0.99 -0.00 0.00 0.00 176.95 177.65 2oqn s THR 38 N 1.66 5.33 0.25 5.86 2.01 -1.26 -0.21 115.64 129.28 2oqn s THR 38 Ca 0.04 0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.44 2oqn s THR 38 Cb -0.13 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2oqn s THR 38 CO -0.08 0.34 -0.06 0.27 -0.69 0.00 0.00 174.62 174.40 2oqn s ILE 39 N 1.00 3.23 -0.15 1.82 -4.36 -0.17 -4.97 121.20 117.59 2oqn s ILE 39 Ca 0.10 -1.94 -0.02 0.00 -0.26 0.00 0.00 60.65 58.53 2oqn s ILE 39 Cb -0.13 -2.69 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 2oqn s ILE 39 CO 0.04 -0.32 -0.07 0.20 0.24 0.00 0.00 174.94 175.03 2oqn s ASN 40 N -3.46 4.43 -0.13 4.36 -0.87 -1.26 -1.08 114.94 116.93 2oqn s ASN 40 Ca 0.30 -0.24 0.01 0.00 -1.57 0.00 0.00 52.86 51.36 2oqn s ASN 40 Cb -0.07 -1.71 -0.01 0.00 -0.02 0.00 0.00 41.25 39.45 2oqn s ASN 40 CO 0.18 0.14 -0.16 -0.69 -2.57 0.00 0.00 177.10 174.00 2oqn s VAL 41 N 0.51 2.67 0.31 1.60 1.01 0.61 -4.06 120.40 123.05 2oqn s VAL 41 Ca -0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2oqn s VAL 41 Cb -0.15 -2.10 -0.11 0.00 0.00 0.00 0.00 36.38 34.02 2oqn s VAL 41 CO 0.03 0.53 1.49 -0.70 0.00 0.00 0.00 175.10 176.45 2oqn s GLU 42 N 0.51 4.18 0.49 2.72 2.12 -1.26 -0.78 118.70 126.69 2oqn s GLU 42 Ca -0.11 2.46 -0.22 0.00 0.36 0.00 0.00 54.97 57.47 2oqn s GLU 42 Cb -0.16 -3.04 -0.09 0.00 0.26 0.00 0.00 34.13 31.10 2oqn s GLU 42 CO 0.04 -0.50 0.89 -2.30 -0.54 0.00 0.00 175.26 172.86 2oqn n PRO 43 N 1.57 1.04 -0.63 4.30 -0.02 -1.26 -2.33 135.00 137.68 2oqn n PRO 43 Ca 0.05 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2oqn n PRO 43 Cb 0.39 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2oqn n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oqn n GLY 44 N 1.35 1.45 3.65 -1.23 0.00 -1.15 -4.99 105.19 104.27 2oqn n GLY 44 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 2oqn n GLY 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2oqn n THR 45 N -2.00 0.61 -4.18 2.61 -1.04 -0.98 -4.68 114.28 104.62 2oqn n THR 45 Ca 0.00 -0.16 -0.35 0.00 -2.04 0.00 0.00 64.05 61.50 2oqn n THR 45 Cb 0.00 -2.09 -0.10 0.00 -1.82 0.00 0.00 70.33 66.33 2oqn n THR 45 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2oqn s ASN 46 N 4.83 5.44 -0.73 8.00 2.47 -1.26 0.07 114.94 133.75 2oqn s ASN 46 Ca 0.93 0.10 -0.03 0.00 0.42 0.00 0.00 52.86 54.28 2oqn s ASN 46 Cb -0.58 -1.79 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 2oqn s ASN 46 CO 0.47 0.26 0.41 0.61 -3.72 0.00 0.00 177.10 175.12 2oqn n GLY 47 N 2.95 0.14 3.82 1.21 0.00 -1.14 -4.96 105.19 107.20 2oqn n GLY 47 Ca -0.18 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2oqn n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oqn s GLY 48 N -2.97 2.40 0.00 -0.02 0.00 0.06 -4.57 107.32 102.22 2oqn s GLY 48 Ca 0.20 0.44 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 2oqn s GLY 48 CO 0.25 0.73 0.01 0.54 0.00 0.00 0.00 173.10 174.63 2oqn s LYS 49 N -3.25 0.14 -0.03 2.90 1.02 -0.09 -1.42 119.74 119.01 2oqn s LYS 49 Ca 0.63 -0.19 0.06 0.00 0.02 0.00 0.00 55.97 56.49 2oqn s LYS 49 Cb -0.11 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.24 2oqn s LYS 49 CO 0.16 -0.02 -0.20 0.42 -0.92 0.00 0.00 175.35 174.78 2oqn s ILE 50 N -0.53 1.61 0.23 2.17 1.01 -0.16 -1.55 121.20 123.99 2oqn s ILE 50 Ca -0.06 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 2oqn s ILE 50 Cb -0.04 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 2oqn s ILE 50 CO -0.00 0.46 0.35 -1.66 0.00 0.00 0.00 174.94 174.08 2oqn s TRP 51 N -0.33 0.65 -0.05 3.97 -2.14 -0.72 -1.31 118.94 119.02 2oqn s TRP 51 Ca 0.04 -0.96 -0.03 0.00 2.66 0.00 0.00 56.10 57.81 2oqn s TRP 51 Cb -0.09 -0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.15 2oqn s TRP 51 CO 0.00 -0.86 0.14 0.00 -2.66 0.00 0.00 176.95 173.57 2oqn s ALA 52 N -4.07 3.81 0.01 2.67 0.00 -1.26 -1.12 121.76 121.80 2oqn s ALA 52 Ca 0.28 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.56 2oqn s ALA 52 Cb 0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 2oqn s ALA 52 CO 0.10 0.69 -0.22 1.03 0.00 0.00 0.00 175.76 177.36 2oqn s ARG 53 N -1.57 2.08 0.18 0.00 0.52 -0.13 -4.64 118.95 115.39 2oqn s ARG 53 Ca 0.22 -0.96 0.10 0.00 -0.52 0.00 0.00 55.73 54.57 2oqn s ARG 53 Cb -0.12 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 2oqn s ARG 53 CO 0.12 0.55 -0.22 0.95 0.02 0.00 0.00 175.30 176.73 2oqn s THR 54 N -0.79 2.14 -1.07 0.02 -4.23 -1.19 -0.28 115.64 110.25 2oqn s THR 54 Ca 0.12 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.48 2oqn s THR 54 Cb -0.10 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 2oqn s THR 54 CO 0.02 -0.20 0.78 0.47 -0.54 0.00 0.00 174.62 175.16 2oqn n ASP 55 N 0.28 -5.59 -4.92 3.99 8.00 -1.26 -1.75 116.55 115.29 2oqn n ASP 55 Ca -0.13 -0.92 -0.31 0.00 0.71 0.00 0.00 54.79 54.14 2oqn n ASP 55 Cb 0.56 -3.50 -0.04 0.00 -0.02 0.00 0.00 41.12 38.12 2oqn n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oqn s TYR 57 N -1.54 1.14 -0.01 0.00 1.51 0.54 -4.98 117.35 114.01 2oqn s TYR 57 Ca 0.36 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2oqn s TYR 57 Cb -0.13 -0.98 -0.00 0.00 -0.11 0.00 0.00 41.96 40.74 2oqn s TYR 57 CO 0.27 -0.35 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.24 2oqn s PHE 58 N 1.38 0.60 0.25 2.71 0.08 -1.26 -1.25 117.98 120.49 2oqn s PHE 58 Ca -0.03 -0.12 -0.03 0.00 0.12 0.00 0.00 56.93 56.88 2oqn s PHE 58 Cb -0.14 -0.40 0.06 0.00 -0.57 0.00 0.00 43.02 41.97 2oqn s PHE 58 CO -0.03 -0.02 0.34 -0.40 -0.10 0.00 0.00 175.22 175.01 2oqn n ASP 59 N 2.99 0.13 0.29 1.36 5.68 -0.55 -4.89 116.55 121.56 2oqn n ASP 59 Ca -0.14 -1.19 0.17 0.00 -0.50 0.00 0.00 54.79 53.13 2oqn n ASP 59 Cb 0.57 -0.25 0.84 0.00 -1.14 0.00 0.00 41.12 41.14 2oqn n ASP 59 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2oqn h ASP 60 N -0.39 0.00 -0.19 -1.12 3.32 -2.02 -1.51 116.42 114.51 2oqn h ASP 60 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2oqn h ASP 60 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2oqn h ASP 60 CO 0.09 0.05 0.00 -1.54 -1.72 0.00 0.00 179.24 176.12 2oqn n SER 61 N -3.28 2.01 0.00 6.45 3.41 -1.26 -4.94 113.62 116.01 2oqn n SER 61 Ca -0.01 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 2oqn n SER 61 Cb 0.22 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2oqn n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oqn n GLY 62 N 1.21 0.39 3.39 5.00 0.00 -0.57 -4.97 105.19 109.63 2oqn n GLY 62 Ca 0.17 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2oqn n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oqn s SER 63 N -2.99 3.76 0.00 1.61 0.01 -1.26 -1.23 113.70 113.60 2oqn s SER 63 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2oqn s SER 63 Cb 0.00 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.17 2oqn s SER 63 CO 0.00 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2oqn n GLY 64 N 2.84 -0.77 3.49 3.44 0.00 0.74 -1.48 105.19 113.45 2oqn n GLY 64 Ca -0.17 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 2oqn n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2oqn s ILE 65 N -1.97 0.01 0.00 -0.61 2.07 -0.38 -4.25 121.20 116.07 2oqn s ILE 65 Ca 0.00 -0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.26 2oqn s ILE 65 Cb 0.00 -0.95 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 2oqn s ILE 65 CO 0.00 -0.03 -0.22 0.00 -1.91 0.00 0.00 174.94 172.78 2oqn h LYS 67 N 5.13 1.06 -5.68 0.00 1.57 -0.74 -3.39 116.57 114.52 2oqn h LYS 67 Ca -0.45 -0.16 -0.51 0.00 -1.87 0.00 0.00 60.65 57.66 2oqn h LYS 67 Cb 1.14 -0.19 -0.25 0.00 0.08 0.00 0.00 32.23 33.00 2oqn h LYS 67 CO 0.47 0.83 -0.82 0.95 -0.57 0.00 0.00 179.45 180.32 2oqn s THR 68 N -5.56 1.37 -0.88 -0.16 -4.23 -1.18 -4.66 115.64 100.34 2oqn s THR 68 Ca -0.11 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 2oqn s THR 68 Cb 0.16 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.79 2oqn s THR 68 CO 0.82 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.62 2oqn n GLY 69 N 1.91 1.02 3.73 3.99 0.00 -0.84 -3.14 105.19 111.87 2oqn n GLY 69 Ca -0.17 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2oqn n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2oqn n ASP 70 N 0.53 3.88 -4.01 1.61 2.03 -1.26 -3.80 116.55 115.53 2oqn n ASP 70 Ca -0.08 1.12 -0.36 0.00 0.52 0.00 0.00 54.79 55.98 2oqn n ASP 70 Cb 0.28 -1.58 -0.05 0.00 -0.72 0.00 0.00 41.12 39.05 2oqn n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2oqn n GLY 72 N 1.96 -0.50 2.36 0.00 0.00 -1.26 -2.46 105.19 105.29 2oqn n GLY 72 Ca 0.24 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 2oqn n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqn n GLY 73 N -1.09 0.90 3.87 -0.02 0.00 -1.26 -4.94 105.19 102.64 2oqn n GLY 73 Ca -0.20 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 2oqn n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oqn s LEU 74 N -1.66 4.39 0.09 0.99 1.43 -1.03 -0.19 118.68 122.71 2oqn s LEU 74 Ca 0.00 0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 53.39 2oqn s LEU 74 Cb 0.00 -2.12 -0.11 0.00 0.03 0.00 0.00 46.19 43.99 2oqn s LEU 74 CO 0.00 0.39 1.67 0.25 0.23 0.00 0.00 176.35 178.89 2oqn h LEU 75 N 5.06 0.17 -8.01 1.79 5.85 -1.52 -3.38 115.31 115.27 2oqn h LEU 75 Ca -0.54 -0.10 -0.71 0.00 0.84 0.00 0.00 57.88 57.37 2oqn h LEU 75 Cb 1.22 -0.04 -0.19 0.00 0.37 0.00 0.00 40.66 42.02 2oqn h LEU 75 CO 0.59 0.22 0.52 -0.13 -0.34 0.00 0.00 178.44 179.31 2oqn s ARG 76 N -5.80 3.45 0.29 1.25 0.52 -1.26 -3.92 118.95 113.49 2oqn s ARG 76 Ca -0.13 -1.74 -0.30 0.00 -0.52 0.00 0.00 55.73 53.04 2oqn s ARG 76 Cb 0.07 -4.63 -0.11 0.00 0.52 0.00 0.00 34.95 30.79 2oqn s ARG 76 CO 0.69 -1.64 1.56 0.00 0.02 0.00 0.00 175.30 175.93 2oqn n LYS 78 N 2.08 3.26 -4.33 0.00 5.02 -1.26 -3.96 118.16 118.97 2oqn n LYS 78 Ca 0.07 -0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 2oqn n LYS 78 Cb 0.38 -0.87 -0.10 0.00 -0.02 0.00 0.00 35.03 34.41 2oqn n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2oqn s ARG 79 N -1.79 1.41 0.91 1.97 0.52 -1.26 -1.90 118.95 118.80 2oqn s ARG 79 Ca 0.00 -1.75 -0.11 0.00 -0.52 0.00 0.00 55.73 53.35 2oqn s ARG 79 Cb 0.03 -0.37 0.14 0.00 0.52 0.00 0.00 34.95 35.26 2oqn s ARG 79 CO 0.18 -0.25 1.10 -0.06 0.02 0.00 0.00 175.30 176.29 2oqn s PHE 80 N -3.65 2.01 0.35 -0.53 0.08 -1.26 -4.86 117.98 110.12 2oqn s PHE 80 Ca 0.35 1.51 0.03 0.00 0.12 0.00 0.00 56.93 58.94 2oqn s PHE 80 Cb 0.08 -3.19 -0.02 0.00 -0.57 0.00 0.00 43.02 39.32 2oqn s PHE 80 CO 0.12 -2.58 0.52 0.20 -0.10 0.00 0.00 175.22 173.38 2oqn s GLY 81 N -3.03 1.44 -0.12 4.36 0.00 -1.26 -4.63 107.32 104.07 2oqn s GLY 81 Ca 0.65 -1.16 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 2oqn s GLY 81 CO 0.58 -1.08 1.37 -1.60 0.00 0.00 0.00 173.10 172.37 2oqn s ARG 82 N -4.28 4.23 0.80 2.90 6.06 0.49 -4.86 118.95 124.29 2oqn s ARG 82 Ca 0.42 1.81 -0.14 0.00 -2.50 0.00 0.00 55.73 55.33 2oqn s ARG 82 Cb -0.10 -3.80 0.08 0.00 0.06 0.00 0.00 34.95 31.19 2oqn s ARG 82 CO 0.34 -0.72 1.21 -2.14 -2.50 0.00 0.00 175.30 171.49 2oqn s PRO 83 N 3.50 1.68 0.20 5.12 0.02 -1.26 -1.98 135.00 142.27 2oqn s PRO 83 Ca 0.60 1.78 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 2oqn s PRO 83 Cb -0.25 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 2oqn s PRO 83 CO 0.19 -2.19 0.94 -1.25 -0.33 0.00 0.00 177.00 174.36 2oqn s PRO 84 N -4.09 4.80 -0.14 5.54 0.04 -1.26 -4.77 135.00 135.11 2oqn s PRO 84 Ca 0.74 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 63.19 2oqn s PRO 84 Cb -0.29 -3.31 0.07 0.00 0.04 0.00 0.00 34.50 31.01 2oqn s PRO 84 CO 0.50 0.43 0.26 0.95 0.04 0.00 0.00 177.00 179.18 2oqn s THR 85 N -0.83 -0.41 0.24 1.26 -4.23 -0.44 -4.17 115.64 107.05 2oqn s THR 85 Ca 0.42 0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.87 2oqn s THR 85 Cb -0.25 -0.47 -0.10 0.00 1.34 0.00 0.00 72.50 73.02 2oqn s THR 85 CO 0.31 0.08 1.51 -0.89 -0.54 0.00 0.00 174.62 175.09 2oqn s THR 86 N 2.41 2.51 -0.14 3.99 2.01 -1.19 -4.34 115.64 120.88 2oqn s THR 86 Ca 0.02 0.41 0.02 0.00 0.31 0.00 0.00 61.69 62.45 2oqn s THR 86 Cb -0.12 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 69.13 2oqn s THR 86 CO -0.09 0.06 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.93 2oqn s LEU 87 N -0.01 2.17 -0.32 4.42 1.43 -0.93 -4.50 118.68 120.95 2oqn s LEU 87 Ca 0.63 -0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 52.93 2oqn s LEU 87 Cb -0.44 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 2oqn s LEU 87 CO 0.41 0.08 0.71 0.00 0.23 0.00 0.00 176.35 177.79 2oqn s ALA 88 N 0.79 3.51 -0.06 4.21 0.00 -0.42 -1.17 121.76 128.62 2oqn s ALA 88 Ca -0.07 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.36 2oqn s ALA 88 Cb -0.16 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2oqn s ALA 88 CO -0.01 -1.20 -0.19 -1.21 0.00 0.00 0.00 175.76 173.15 2oqn s GLU 89 N 2.82 2.57 -0.10 0.00 2.02 0.06 -0.98 118.70 125.09 2oqn s GLU 89 Ca 0.29 -0.79 -0.15 0.00 0.02 0.00 0.00 54.97 54.33 2oqn s GLU 89 Cb -0.14 -2.30 0.03 0.00 0.10 0.00 0.00 34.13 31.83 2oqn s GLU 89 CO 0.13 0.49 0.38 -0.59 0.02 0.00 0.00 175.26 175.69 2oqn s PHE 90 N -0.40 -0.36 -0.08 1.61 -0.71 -0.50 -1.42 117.98 116.12 2oqn s PHE 90 Ca 0.04 0.79 0.01 0.00 -1.04 0.00 0.00 56.93 56.72 2oqn s PHE 90 Cb -0.12 0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.85 2oqn s PHE 90 CO 0.02 -0.29 -0.07 -1.12 -1.34 0.00 0.00 175.22 172.41 2oqn s SER 91 N -0.39 1.67 -0.01 1.98 0.01 -0.71 -0.76 113.70 115.49 2oqn s SER 91 Ca -0.05 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.00 2oqn s SER 91 Cb -0.03 -0.69 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 2oqn s SER 91 CO 0.02 -0.06 -0.05 -0.76 0.41 0.00 0.00 173.24 172.80 2oqn s LEU 92 N 1.20 3.27 -1.12 2.44 1.43 0.11 -1.19 118.68 124.83 2oqn s LEU 92 Ca -0.05 -0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 2oqn s LEU 92 Cb -0.14 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2oqn s LEU 92 CO -0.02 0.29 0.83 0.59 0.23 0.00 0.00 176.35 178.27 2oqn n ASN 93 N 1.60 -5.51 -4.22 2.29 3.02 -1.03 -2.95 115.26 108.46 2oqn n ASN 93 Ca -0.16 -0.92 -0.41 0.00 -0.03 0.00 0.00 54.58 53.07 2oqn n ASN 93 Cb 0.53 -3.95 -0.09 0.00 -0.61 0.00 0.00 39.78 35.66 2oqn n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2oqn s GLN 94 N -5.51 2.48 -1.50 3.52 -1.52 0.69 -4.47 119.66 113.35 2oqn s GLN 94 Ca 0.45 -1.72 -0.05 0.00 -1.95 0.00 0.00 55.36 52.09 2oqn s GLN 94 Cb -0.13 -3.89 0.04 0.00 -0.22 0.00 0.00 33.01 28.81 2oqn s GLN 94 CO 0.82 -1.16 0.50 0.66 -0.25 0.00 0.00 175.29 175.87 2oqn n TYR 95 N 4.90 -1.67 -0.29 0.91 4.01 -1.26 -2.32 117.16 121.45 2oqn n TYR 95 Ca -0.08 0.76 0.00 0.00 -0.16 0.00 0.00 57.90 58.42 2oqn n TYR 95 Cb 0.41 -3.49 0.00 0.00 -0.31 0.00 0.00 39.34 35.95 2oqn n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2oqn n GLY 96 N -1.87 1.07 3.31 2.72 0.00 -1.26 -5.03 105.19 104.13 2oqn n GLY 96 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 2oqn n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqn s LYS 97 N -0.50 1.23 0.15 1.61 -0.14 -0.98 -2.17 119.74 118.94 2oqn s LYS 97 Ca 0.00 -1.51 0.04 0.00 -1.36 0.00 0.00 55.97 53.15 2oqn s LYS 97 Cb 0.00 -1.01 -0.04 0.00 -1.68 0.00 0.00 37.83 35.10 2oqn s LYS 97 CO 0.00 0.17 0.14 -0.51 -0.76 0.00 0.00 175.35 174.38 2oqn s ASP 98 N -3.14 5.58 -0.08 2.83 1.01 -0.17 -0.22 116.67 122.48 2oqn s ASP 98 Ca 0.19 -0.09 -0.00 0.00 0.71 0.00 0.00 52.55 53.36 2oqn s ASP 98 Cb -0.01 -1.48 0.03 0.00 1.01 0.00 0.00 42.92 42.46 2oqn s ASP 98 CO 0.05 0.09 -0.03 -0.31 0.21 0.00 0.00 175.17 175.17 2oqn s TYR 99 N -1.68 0.94 0.11 4.23 2.02 -0.33 -0.80 117.35 121.84 2oqn s TYR 99 Ca 0.31 -0.35 0.08 0.00 -0.37 0.00 0.00 57.07 56.74 2oqn s TYR 99 Cb -0.11 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 2oqn s TYR 99 CO 0.23 -0.35 -0.21 0.96 -1.57 0.00 0.00 175.55 174.62 2oqn s ILE 100 N 1.62 1.74 0.25 2.71 -4.36 -0.52 -1.75 121.20 120.89 2oqn s ILE 100 Ca 0.01 -1.61 -0.22 0.00 -0.26 0.00 0.00 60.65 58.57 2oqn s ILE 100 Cb -0.13 -1.62 0.03 0.00 1.25 0.00 0.00 42.46 42.00 2oqn s ILE 100 CO -0.04 -0.10 0.69 1.51 0.24 0.00 0.00 174.94 177.23 2oqn s ASP 101 N -2.05 -0.34 -0.04 4.36 1.47 -0.51 -0.45 116.67 119.11 2oqn s ASP 101 Ca 0.08 -0.45 0.04 0.00 1.18 0.00 0.00 52.55 53.40 2oqn s ASP 101 Cb -0.09 0.70 -0.03 0.00 -0.34 0.00 0.00 42.92 43.16 2oqn s ASP 101 CO 0.05 -1.25 -0.16 -0.63 0.68 0.00 0.00 175.17 173.86 2oqn s ILE 102 N -3.88 2.95 -0.03 2.11 1.01 -1.26 -0.76 121.20 121.33 2oqn s ILE 102 Ca 0.08 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.98 2oqn s ILE 102 Cb -0.05 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2oqn s ILE 102 CO 0.02 0.57 -0.17 -0.55 0.00 0.00 0.00 174.94 174.81 2oqn s SER 103 N -0.78 2.10 -0.07 3.58 0.15 -0.31 -1.76 113.70 116.61 2oqn s SER 103 Ca 0.12 -0.34 0.17 0.00 0.70 0.00 0.00 55.95 56.60 2oqn s SER 103 Cb -0.11 -0.48 0.57 0.00 -1.71 0.00 0.00 66.02 64.29 2oqn s SER 103 CO 0.01 0.17 1.48 0.59 1.20 0.00 0.00 173.24 176.69 2oqn n ASN 104 N 3.00 3.98 0.27 5.45 5.03 0.70 -2.20 115.26 131.49 2oqn n ASN 104 Ca -0.17 -2.31 0.10 0.00 0.87 0.00 0.00 54.58 53.06 2oqn n ASN 104 Cb 0.53 -0.46 0.70 0.00 -1.02 0.00 0.00 39.78 39.53 2oqn n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2oqn h ILE 105 N 3.24 0.89 -0.60 2.41 2.04 -1.82 -1.02 117.51 122.65 2oqn h ILE 105 Ca 0.00 -0.04 -0.33 0.00 1.00 0.00 0.00 64.86 65.49 2oqn h ILE 105 Cb 1.16 1.02 -0.19 0.00 -0.74 0.00 0.00 36.82 38.07 2oqn h ILE 105 CO 0.12 0.01 0.14 0.29 0.00 0.00 0.00 178.15 178.72 2oqn n LYS 106 N -4.36 2.09 0.00 2.37 4.76 -1.26 -4.73 118.16 117.03 2oqn n LYS 106 Ca -0.03 -3.21 0.00 0.00 -2.87 0.00 0.00 58.31 52.20 2oqn n LYS 106 Cb 0.10 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.31 2oqn n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2oqn n GLY 107 N -1.10 -2.23 2.91 0.72 0.00 -0.39 -1.33 105.19 103.77 2oqn n GLY 107 Ca 0.43 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 2oqn n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2oqn s PHE 108 N -0.35 0.36 0.00 1.61 2.19 -0.03 -3.18 117.98 118.59 2oqn s PHE 108 Ca 0.00 -0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.20 2oqn s PHE 108 Cb 0.00 -0.28 0.00 0.00 -1.31 0.00 0.00 43.02 41.43 2oqn s PHE 108 CO 0.00 -0.04 0.00 0.27 1.83 0.00 0.00 175.22 177.28 2oqn n ASN 109 N 3.26 0.14 -4.10 6.13 2.04 -1.26 -0.63 115.26 120.83 2oqn n ASN 109 Ca -0.16 0.00 -0.25 0.00 -0.44 0.00 0.00 54.58 53.73 2oqn n ASN 109 Cb 0.57 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.66 2oqn n ASN 109 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2oqn s VAL 110 N -1.99 1.26 0.59 3.53 1.01 -1.26 -4.86 120.40 118.69 2oqn s VAL 110 Ca 0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 2oqn s VAL 110 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2oqn s VAL 110 CO 0.00 0.37 1.22 -2.16 0.00 0.00 0.00 175.10 174.53 2oqn s PRO 111 N 0.11 2.96 0.00 2.72 0.04 -1.26 -4.67 135.00 134.91 2oqn s PRO 111 Ca -0.04 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.72 2oqn s PRO 111 Cb -0.11 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2oqn s PRO 111 CO 0.02 -1.22 0.27 0.00 0.04 0.00 0.00 177.00 176.11 2oqn s MET 112 N -3.31 0.67 -0.05 4.56 0.23 -0.34 -0.89 119.30 120.16 2oqn s MET 112 Ca 0.78 -0.32 0.06 0.00 -1.03 0.00 0.00 55.69 55.18 2oqn s MET 112 Cb -0.31 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.26 2oqn s MET 112 CO 0.34 -0.19 -0.23 1.21 -2.03 0.00 0.00 175.02 174.12 2oqn s ASN 113 N -1.53 3.24 -0.27 -1.18 2.47 -0.05 -0.31 114.94 117.31 2oqn s ASN 113 Ca -0.12 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 52.71 2oqn s ASN 113 Cb -0.04 -0.78 0.08 0.00 -1.45 0.00 0.00 41.25 39.05 2oqn s ASN 113 CO 0.02 0.27 0.02 0.12 -3.72 0.00 0.00 177.10 173.81 2oqn s PHE 114 N -0.30 2.23 0.07 0.43 5.36 -0.01 -0.44 117.98 125.31 2oqn s PHE 114 Ca 0.01 -1.83 0.05 0.00 -0.96 0.00 0.00 56.93 54.20 2oqn s PHE 114 Cb -0.13 -1.76 -0.03 0.00 -0.34 0.00 0.00 43.02 40.77 2oqn s PHE 114 CO 0.02 -0.81 -0.13 -1.12 -1.46 0.00 0.00 175.22 171.72 2oqn s SER 115 N 1.44 1.59 0.57 6.13 0.01 -0.57 -0.62 113.70 122.25 2oqn s SER 115 Ca 0.02 -0.61 -0.19 0.00 1.31 0.00 0.00 55.95 56.49 2oqn s SER 115 Cb -0.18 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 2oqn s SER 115 CO -0.12 -0.09 1.13 -2.16 0.41 0.00 0.00 173.24 172.41 2oqn s PRO 116 N -1.72 3.23 0.00 12.44 0.04 -1.26 -0.44 135.00 147.30 2oqn s PRO 116 Ca -0.03 1.58 0.18 0.00 0.04 0.00 0.00 61.00 62.78 2oqn s PRO 116 Cb -0.10 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.59 2oqn s PRO 116 CO 0.02 -0.94 1.08 0.25 0.04 0.00 0.00 177.00 177.46 2oqn n THR 117 N -1.52 0.00 -4.65 1.26 -2.24 0.52 -4.73 114.28 102.93 2oqn n THR 117 Ca 0.11 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.10 2oqn n THR 117 Cb 0.51 1.38 -0.10 0.00 -2.10 0.00 0.00 70.33 70.02 2oqn n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2oqn s THR 118 N -1.54 1.66 0.54 4.28 -4.23 -1.24 -4.97 115.64 110.14 2oqn s THR 118 Ca 0.22 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 2oqn s THR 118 Cb 0.15 -2.72 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 2oqn s THR 118 CO 0.23 0.00 0.99 0.00 -0.54 0.00 0.00 174.62 175.30 2oqn s ARG 119 N -3.77 3.82 0.00 3.99 1.04 -1.26 -4.65 118.95 118.11 2oqn s ARG 119 Ca 0.26 0.85 0.00 0.00 -1.04 0.00 0.00 55.73 55.80 2oqn s ARG 119 Cb 0.07 -2.13 0.00 0.00 -2.04 0.00 0.00 34.95 30.85 2oqn s ARG 119 CO 0.13 -0.36 0.00 0.41 -0.04 0.00 0.00 175.30 175.44 2oqn n GLY 120 N -1.97 1.01 3.64 3.88 0.00 -1.26 -4.68 105.19 105.81 2oqn n GLY 120 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 2oqn n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqn s ARG 122 N -3.58 2.89 0.63 0.00 1.70 -1.26 -4.79 118.95 114.54 2oqn s ARG 122 Ca 0.07 -0.74 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 2oqn s ARG 122 Cb -0.03 -2.60 0.08 0.00 -0.57 0.00 0.00 34.95 31.83 2oqn s ARG 122 CO -0.03 -0.35 0.88 0.20 -1.08 0.00 0.00 175.30 174.91 2oqn s GLY 123 N -4.29 1.79 0.17 3.88 0.00 -1.26 -4.60 107.32 103.01 2oqn s GLY 123 Ca 0.51 -1.53 0.10 0.00 0.00 0.00 0.00 44.72 43.80 2oqn s GLY 123 CO 0.36 -1.11 -0.21 -1.34 0.00 0.00 0.00 173.10 170.81 2oqn s VAL 124 N -2.94 2.03 -0.14 1.40 -7.23 0.21 -4.97 120.40 108.76 2oqn s VAL 124 Ca 0.61 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.73 2oqn s VAL 124 Cb -0.08 -1.94 0.04 0.00 0.56 0.00 0.00 36.38 34.96 2oqn s VAL 124 CO 0.41 -0.21 0.37 -0.60 -0.31 0.00 0.00 175.10 174.76 2oqn s ARG 125 N -2.67 0.40 -0.40 4.82 3.52 -1.26 -0.83 118.95 122.53 2oqn s ARG 125 Ca 0.17 0.58 0.01 0.00 -0.13 0.00 0.00 55.73 56.36 2oqn s ARG 125 Cb -0.07 0.13 0.14 0.00 -1.56 0.00 0.00 34.95 33.58 2oqn s ARG 125 CO 0.08 -0.09 0.22 0.00 -0.81 0.00 0.00 175.30 174.71 2oqn n ALA 127 N 3.78 3.57 -1.27 0.00 0.00 -1.26 -1.20 120.51 124.13 2oqn n ALA 127 Ca 0.10 -0.49 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 2oqn n ALA 127 Cb 0.36 -0.56 0.10 0.00 0.00 0.00 0.00 19.45 19.34 2oqn n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oqn s ALA 128 N -2.16 2.10 -1.36 0.00 0.00 -1.26 -4.78 121.76 114.29 2oqn s ALA 128 Ca 0.10 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 2oqn s ALA 128 Cb 0.12 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 20.10 2oqn s ALA 128 CO 0.51 -1.89 2.03 -3.47 0.00 0.00 0.00 175.76 172.94 2oqn n ASP 129 N -3.59 4.51 0.03 0.00 2.03 -1.26 -4.73 116.55 113.53 2oqn n ASP 129 Ca 0.08 -2.98 -0.01 0.00 0.52 0.00 0.00 54.79 52.41 2oqn n ASP 129 Cb 0.54 -1.57 0.27 0.00 -0.72 0.00 0.00 41.12 39.64 2oqn n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2oqn h ILE 130 N 3.92 1.22 -0.19 5.18 2.04 -1.96 -2.24 117.51 125.48 2oqn h ILE 130 Ca 0.48 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2oqn h ILE 130 Cb 0.64 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2oqn h ILE 130 CO 1.74 0.32 -0.00 0.58 0.00 0.00 0.00 178.15 180.79 2oqn h VAL 131 N 0.42 1.26 -0.68 1.67 2.07 -1.89 -0.22 116.25 118.87 2oqn h VAL 131 Ca 0.08 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.75 2oqn h VAL 131 Cb 0.48 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2oqn h VAL 131 CO 0.03 0.27 0.45 1.23 0.02 0.00 0.00 177.57 179.57 2oqn h GLY 132 N 0.10 0.93 -0.66 2.17 0.00 -1.90 -2.78 103.07 100.93 2oqn h GLY 132 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2oqn h GLY 132 CO 0.01 0.28 -0.24 -1.06 0.00 0.00 0.00 176.54 175.53 2oqn n GLN 133 N -4.46 1.36 -1.61 4.80 1.13 -0.87 -5.00 117.38 112.73 2oqn n GLN 133 Ca 0.09 -0.99 -0.50 0.00 -1.94 0.00 0.00 57.00 53.66 2oqn n GLN 133 Cb 0.13 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.95 2oqn n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oqn n PRO 135 N 2.62 2.48 -0.33 0.00 -0.02 -1.26 -4.83 135.00 133.67 2oqn n PRO 135 Ca 0.17 0.87 0.07 0.00 -2.02 0.00 0.00 63.50 62.59 2oqn n PRO 135 Cb 0.23 -2.56 0.16 0.00 -0.02 0.00 0.00 33.50 31.31 2oqn n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oqn h ALA 136 N 3.13 0.73 0.00 3.55 0.00 -1.98 -0.41 119.26 124.28 2oqn h ALA 136 Ca -0.49 0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2oqn h ALA 136 Cb 1.25 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2oqn h ALA 136 CO 0.66 -0.43 0.00 0.87 0.00 0.00 0.00 179.25 180.35 2oqn h LYS 137 N 0.01 0.00 -0.00 0.00 1.57 -2.02 -2.78 116.57 113.35 2oqn h LYS 137 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2oqn h LYS 137 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2oqn h LYS 137 CO -0.92 0.00 -0.91 1.28 -0.57 0.00 0.00 179.45 178.33 2oqn n LEU 138 N -2.60 1.03 -4.71 2.94 4.77 -0.19 -4.98 117.00 113.26 2oqn n LEU 138 Ca 0.01 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 2oqn n LEU 138 Cb 0.23 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2oqn n LEU 138 CO 0.22 0.25 1.34 -0.54 -1.33 0.00 0.00 177.39 177.32 2oqn s LYS 139 N -2.96 4.16 -0.11 3.23 1.02 -1.02 -0.37 119.74 123.69 2oqn s LYS 139 Ca 0.09 2.51 -0.18 0.00 0.02 0.00 0.00 55.97 58.42 2oqn s LYS 139 Cb 0.16 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2oqn s LYS 139 CO 0.83 -0.72 0.47 0.00 -0.92 0.00 0.00 175.35 175.02 2oqn s ALA 140 N 1.41 3.49 0.16 5.17 0.00 -0.26 -4.85 121.76 126.88 2oqn s ALA 140 Ca 0.74 -0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.40 2oqn s ALA 140 Cb -0.47 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2oqn s ALA 140 CO 0.32 0.03 1.54 -1.35 0.00 0.00 0.00 175.76 176.31 2oqn h PRO 141 N 6.60 0.99 -0.03 0.00 0.11 -1.94 -1.20 132.00 136.53 2oqn h PRO 141 Ca -0.42 -0.42 0.01 0.00 0.11 0.00 0.00 66.00 65.28 2oqn h PRO 141 Cb 1.18 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2oqn h PRO 141 CO 0.75 1.10 0.40 0.78 -0.21 0.00 0.00 178.00 180.82 2oqn h GLY 142 N 0.84 0.00 0.00 -0.55 0.00 -1.93 -3.47 103.07 97.97 2oqn h GLY 142 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2oqn h GLY 142 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.22 2oqn n GLY 143 N -1.27 3.13 0.21 4.60 0.00 -0.45 -4.54 105.19 106.87 2oqn n GLY 143 Ca -0.01 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2oqn n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqn n GLY 144 N 0.10 -3.63 3.00 -0.02 0.00 -1.25 -4.54 105.19 98.84 2oqn n GLY 144 Ca 0.00 -1.97 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 2oqn n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oqn s ASN 146 N 1.24 6.09 0.63 0.00 0.01 0.50 -0.85 114.94 122.57 2oqn s ASN 146 Ca -0.06 2.37 -0.15 0.00 -0.71 0.00 0.00 52.86 54.31 2oqn s ASN 146 Cb -0.19 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.84 2oqn s ASN 146 CO -0.06 -0.98 1.08 1.51 -1.51 0.00 0.00 177.10 177.14 2oqn s ASP 147 N -1.28 5.46 0.29 -1.22 -4.77 -1.26 -4.83 116.67 109.06 2oqn s ASP 147 Ca 0.64 1.88 0.01 0.00 -3.30 0.00 0.00 52.55 51.78 2oqn s ASP 147 Cb -0.30 -2.54 0.45 0.00 -1.09 0.00 0.00 42.92 39.44 2oqn s ASP 147 CO 0.37 -1.38 1.80 0.00 0.70 0.00 0.00 175.17 176.65 2oqn h ALA 148 N 0.18 1.21 -0.24 2.11 0.00 -1.92 -2.87 119.26 117.73 2oqn h ALA 148 Ca -0.47 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.24 2oqn h ALA 148 Cb 1.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2oqn h ALA 148 CO 0.56 0.52 -0.05 0.00 0.00 0.00 0.00 179.25 180.27 2oqn h THR 150 N 0.01 0.98 -0.08 0.00 2.02 -1.87 0.08 112.91 114.05 2oqn h THR 150 Ca 0.11 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 2oqn h THR 150 Cb 0.17 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2oqn h THR 150 CO -0.24 0.11 -0.16 0.58 0.37 0.00 0.00 175.52 176.18 2oqn h VAL 151 N 0.60 1.41 0.00 3.16 2.07 -1.27 -3.40 116.25 118.82 2oqn h VAL 151 Ca 0.26 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2oqn h VAL 151 Cb 0.14 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2oqn h VAL 151 CO -0.16 0.41 -1.52 0.49 0.02 0.00 0.00 177.57 176.82 2oqn n PHE 152 N -4.58 0.00 -3.65 1.57 3.72 0.19 -5.04 117.46 109.67 2oqn n PHE 152 Ca -0.08 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.11 2oqn n PHE 152 Cb 0.39 -0.26 0.04 0.00 -0.94 0.00 0.00 39.48 38.71 2oqn n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2oqn n GLN 153 N -1.90 -4.25 -4.23 -1.08 1.13 0.01 -5.01 117.38 102.05 2oqn n GLN 153 Ca -0.02 0.63 -0.25 0.00 -1.94 0.00 0.00 57.00 55.42 2oqn n GLN 153 Cb 0.30 -5.12 -0.07 0.00 0.11 0.00 0.00 30.24 25.46 2oqn n GLN 153 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2oqn s THR 154 N -3.61 3.71 0.38 5.09 -4.23 -1.26 -5.03 115.64 110.68 2oqn s THR 154 Ca 0.10 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 2oqn s THR 154 Cb -0.03 -2.92 0.28 0.00 1.34 0.00 0.00 72.50 71.18 2oqn s THR 154 CO 0.81 -0.23 2.00 0.28 -0.54 0.00 0.00 174.62 176.95 2oqn h SER 155 N 2.29 0.59 -0.23 3.99 0.02 -1.96 -1.25 113.55 117.00 2oqn h SER 155 Ca -0.46 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.41 2oqn h SER 155 Cb 1.22 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2oqn h SER 155 CO 0.59 0.41 -0.14 -0.08 -1.14 0.00 0.00 176.83 176.46 2oqn h GLU 156 N 0.69 0.51 -0.02 3.45 4.57 -1.97 0.37 114.58 122.18 2oqn h GLU 156 Ca 0.24 -0.23 -0.19 0.00 -1.18 0.00 0.00 59.36 58.00 2oqn h GLU 156 Cb 0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2oqn h GLU 156 CO -0.07 0.79 -0.81 1.88 -1.18 0.00 0.00 179.01 179.63 2oqn h TYR 157 N 0.22 0.36 0.00 0.92 0.05 -1.90 -3.29 116.97 113.34 2oqn h TYR 157 Ca 0.05 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.65 2oqn h TYR 157 Cb 0.66 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2oqn h TYR 157 CO 0.07 0.96 -0.73 0.00 -1.05 0.00 0.00 178.16 177.40 2oqn h THR 160 N -1.95 0.40 0.00 0.00 2.02 -1.77 -3.07 112.91 108.55 2oqn h THR 160 Ca -0.41 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.19 2oqn h THR 160 Cb 1.27 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2oqn h THR 160 CO 0.40 0.07 0.00 0.35 0.37 0.00 0.00 175.52 176.72 2oqn n THR 161 N -5.19 1.46 -0.17 3.16 -2.24 -1.26 -4.83 114.28 105.21 2oqn n THR 161 Ca -0.10 0.48 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 2oqn n THR 161 Cb 0.29 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 2oqn n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oqn n GLY 162 N -1.02 1.14 1.12 3.38 0.00 -1.16 -4.92 105.19 103.73 2oqn n GLY 162 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 2oqn n GLY 162 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2oqn n LYS 163 N -2.00 2.32 -1.93 1.61 2.85 -1.26 -5.09 118.16 114.66 2oqn n LYS 163 Ca 0.00 -3.62 -0.35 0.00 -1.05 0.00 0.00 58.31 53.30 2oqn n LYS 163 Cb 0.00 -1.86 0.04 0.00 -0.65 0.00 0.00 35.03 32.56 2oqn n LYS 163 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2oqn s GLY 165 N -1.98 2.74 0.81 0.00 0.00 -1.26 -4.83 107.32 102.80 2oqn s GLY 165 Ca 0.73 -0.72 -0.10 0.00 0.00 0.00 0.00 44.72 44.62 2oqn s GLY 165 CO 0.35 -2.09 1.10 2.56 0.00 0.00 0.00 173.10 175.03 2oqn s PRO 166 N -4.07 1.98 0.20 2.90 0.04 -1.26 -4.97 135.00 129.81 2oqn s PRO 166 Ca 0.18 1.22 -0.00 0.00 0.04 0.00 0.00 61.00 62.44 2oqn s PRO 166 Cb -0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2oqn s PRO 166 CO 0.11 -1.86 0.09 0.95 0.04 0.00 0.00 177.00 176.34 2oqn s THR 167 N -2.86 0.22 0.24 1.26 -4.23 -1.26 -5.02 115.64 103.99 2oqn s THR 167 Ca 0.62 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 59.09 2oqn s THR 167 Cb -0.18 -2.40 0.21 0.00 1.34 0.00 0.00 72.50 71.47 2oqn s THR 167 CO 0.56 -0.14 1.71 -0.33 -0.54 0.00 0.00 174.62 175.88 2oqn h GLU 168 N 2.62 0.32 -0.10 3.99 5.08 -1.99 -0.60 114.58 123.90 2oqn h GLU 168 Ca -0.36 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 2oqn h GLU 168 Cb 1.23 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2oqn h GLU 168 CO 0.57 0.21 -0.05 1.88 -1.00 0.00 0.00 179.01 180.62 2oqn h TYR 169 N 0.33 0.25 -0.89 4.33 0.05 -2.00 -2.74 116.97 116.29 2oqn h TYR 169 Ca 0.39 -0.06 0.02 0.00 0.05 0.00 0.00 58.73 59.13 2oqn h TYR 169 Cb 0.62 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.26 2oqn h TYR 169 CO -0.22 0.57 0.58 0.66 -1.05 0.00 0.00 178.16 178.70 2oqn h SER 170 N -0.15 0.99 0.09 3.88 4.64 -1.76 -2.39 113.55 118.86 2oqn h SER 170 Ca 0.02 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 2oqn h SER 170 Cb 0.50 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2oqn h SER 170 CO 0.01 0.69 -0.10 0.03 -0.87 0.00 0.00 176.83 176.60 2oqn h ARG 171 N 1.16 0.02 0.24 4.77 3.08 -1.10 -0.86 114.38 121.68 2oqn h ARG 171 Ca 0.34 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 2oqn h ARG 171 Cb -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2oqn h ARG 171 CO -0.10 0.11 -0.11 0.35 -1.07 0.00 0.00 179.97 179.15 2oqn h PHE 172 N 0.02 -0.30 -0.92 3.04 3.57 -1.11 0.34 116.94 121.58 2oqn h PHE 172 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2oqn h PHE 172 Cb 0.18 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 2oqn h PHE 172 CO 0.00 -0.13 0.58 0.74 -2.23 0.00 0.00 178.31 177.27 2oqn h PHE 173 N -0.39 1.09 -0.20 0.41 0.04 -1.35 -1.72 116.94 114.82 2oqn h PHE 173 Ca -0.03 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 2oqn h PHE 173 Cb 0.30 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 2oqn h PHE 173 CO -0.04 0.57 -0.35 -0.22 -0.60 0.00 0.00 178.31 177.67 2oqn h LYS 174 N 1.08 0.42 -0.12 1.51 1.63 -1.00 0.22 116.57 120.31 2oqn h LYS 174 Ca 0.39 -0.19 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 2oqn h LYS 174 Cb 0.14 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2oqn h LYS 174 CO -0.16 0.72 -0.19 -0.09 -3.45 0.00 0.00 179.45 176.27 2oqn h ARG 175 N 0.36 0.34 -0.43 1.90 2.43 -0.50 -2.20 114.38 116.28 2oqn h ARG 175 Ca 0.04 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 2oqn h ARG 175 Cb 0.78 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2oqn h ARG 175 CO 0.06 0.79 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.05 2oqn h LEU 176 N -0.07 0.86 -6.59 3.80 -0.00 -1.20 -3.38 115.31 108.72 2oqn h LEU 176 Ca 0.01 -0.30 -0.59 0.00 -0.00 0.00 0.00 57.88 56.99 2oqn h LEU 176 Cb 0.76 -0.23 -0.39 0.00 -0.00 0.00 0.00 40.66 40.80 2oqn h LEU 176 CO 0.04 1.03 -0.87 0.00 -0.00 0.00 0.00 178.44 178.65 2oqn h PRO 178 N 6.03 0.00 -0.63 0.00 0.11 -1.59 -2.84 132.00 133.06 2oqn h PRO 178 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2oqn h PRO 178 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2oqn h PRO 178 CO 0.41 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.95 2oqn n ASP 179 N -4.02 4.92 -4.23 -2.05 8.00 -1.26 -4.88 116.55 113.02 2oqn n ASP 179 Ca 0.00 -2.67 -0.22 0.00 0.71 0.00 0.00 54.79 52.61 2oqn n ASP 179 Cb 0.23 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 40.58 2oqn n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oqn s ALA 180 N -2.30 1.55 0.17 2.24 0.00 -1.07 -4.54 121.76 117.82 2oqn s ALA 180 Ca 0.48 -1.10 -0.32 0.00 0.00 0.00 0.00 51.96 51.03 2oqn s ALA 180 Cb 0.34 -0.21 -0.11 0.00 0.00 0.00 0.00 23.12 23.14 2oqn s ALA 180 CO 0.17 0.30 1.69 -0.06 0.00 0.00 0.00 175.76 177.86 2oqn s PHE 181 N -1.09 2.81 -0.02 0.00 0.40 -0.73 -4.78 117.98 114.56 2oqn s PHE 181 Ca 0.04 0.37 0.15 0.00 -0.60 0.00 0.00 56.93 56.89 2oqn s PHE 181 Cb -0.10 -4.07 -0.23 0.00 0.51 0.00 0.00 43.02 39.13 2oqn s PHE 181 CO 0.03 -4.10 0.33 -1.13 0.70 0.00 0.00 175.22 171.05 2oqn n SER 182 N 4.35 1.57 -3.89 1.36 3.41 -1.26 -0.22 113.62 118.94 2oqn n SER 182 Ca 0.16 -0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.68 2oqn n SER 182 Cb 0.37 1.68 -0.04 0.00 -0.26 0.00 0.00 64.21 65.96 2oqn n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2oqn s TYR 183 N -3.04 0.07 0.17 7.33 1.13 -1.26 -4.62 117.35 117.13 2oqn s TYR 183 Ca -0.05 -0.46 -0.15 0.00 -1.41 0.00 0.00 57.07 55.00 2oqn s TYR 183 Cb 0.10 0.41 0.13 0.00 -1.10 0.00 0.00 41.96 41.49 2oqn s TYR 183 CO 0.62 -1.05 1.69 0.28 -2.51 0.00 0.00 175.55 174.58 2oqn h VAL 184 N 2.16 0.68 -0.51 -3.49 2.07 -1.93 -2.12 116.25 113.10 2oqn h VAL 184 Ca -0.24 -0.04 -0.18 0.00 0.82 0.00 0.00 66.70 67.06 2oqn h VAL 184 Cb 1.25 0.56 -0.11 0.00 -1.52 0.00 0.00 31.29 31.47 2oqn h VAL 184 CO 0.32 0.02 0.23 0.18 0.02 0.00 0.00 177.57 178.34 2oqn n LEU 185 N -5.20 4.77 -4.75 2.57 4.77 -1.26 -4.97 117.00 112.92 2oqn n LEU 185 Ca 0.03 -2.48 -0.35 0.00 -0.03 0.00 0.00 56.01 53.18 2oqn n LEU 185 Cb 0.22 -0.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.69 2oqn n LEU 185 CO 0.18 0.69 0.82 -0.62 -1.33 0.00 0.00 177.39 177.13 2oqn s ASP 186 N -0.47 4.89 0.02 -1.43 -1.08 -0.80 -4.90 116.67 112.89 2oqn s ASP 186 Ca 0.35 2.34 -0.30 0.00 -0.52 0.00 0.00 52.55 54.42 2oqn s ASP 186 Cb 0.29 -2.59 -0.09 0.00 -1.46 0.00 0.00 42.92 39.06 2oqn s ASP 186 CO 0.08 -1.80 1.98 1.17 0.52 0.00 0.00 175.17 177.13 2oqn n LYS 187 N -2.01 2.78 -1.74 4.34 4.81 -1.26 -4.87 118.16 120.21 2oqn n LYS 187 Ca 0.13 1.01 -0.40 0.00 -0.87 0.00 0.00 58.31 58.18 2oqn n LYS 187 Cb 0.50 -2.99 0.02 0.00 0.02 0.00 0.00 35.03 32.59 2oqn n LYS 187 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2oqn n PRO 188 N 7.51 2.03 -0.42 1.64 -0.02 -1.26 -4.93 135.00 139.55 2oqn n PRO 188 Ca 0.21 0.73 0.07 0.00 -2.02 0.00 0.00 63.50 62.49 2oqn n PRO 188 Cb 0.40 -2.54 0.16 0.00 -0.02 0.00 0.00 33.50 31.50 2oqn n PRO 188 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2oqn n THR 189 N -0.38 1.81 -2.54 3.45 -2.24 -1.26 -5.05 114.28 108.06 2oqn n THR 189 Ca 0.07 -2.50 -0.41 0.00 -2.27 0.00 0.00 64.05 58.94 2oqn n THR 189 Cb 0.41 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 2oqn n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2oqn s THR 190 N -2.70 3.84 -0.14 4.28 2.01 -1.26 -4.77 115.64 116.90 2oqn s THR 190 Ca 0.33 1.67 -0.04 0.00 0.31 0.00 0.00 61.69 63.96 2oqn s THR 190 Cb 0.31 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2oqn s THR 190 CO -0.03 0.32 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.53 2oqn s VAL 191 N -0.54 4.20 -0.21 3.82 1.01 0.40 -4.93 120.40 124.14 2oqn s VAL 191 Ca 0.47 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 2oqn s VAL 191 Cb -0.29 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2oqn s VAL 191 CO 0.36 0.52 0.70 -0.89 0.00 0.00 0.00 175.10 175.79 2oqn s THR 192 N -0.03 4.96 0.25 3.92 2.01 -1.26 -1.44 115.64 124.05 2oqn s THR 192 Ca 0.03 1.31 0.10 0.00 0.31 0.00 0.00 61.69 63.44 2oqn s THR 192 Cb -0.13 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2oqn s THR 192 CO 0.02 0.04 -0.09 0.00 -0.69 0.00 0.00 174.62 173.90 2oqn n PRO 194 N -0.58 1.62 -1.66 0.00 -0.02 -1.26 -1.00 135.00 132.10 2oqn n PRO 194 Ca -0.07 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 2oqn n PRO 194 Cb 0.59 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.83 2oqn n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oqn n GLY 195 N 0.99 0.23 2.34 -1.23 0.00 -0.92 -2.31 105.19 104.27 2oqn n GLY 195 Ca 0.08 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 2oqn n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oqn n SER 196 N 0.51 -4.85 -4.69 1.61 7.64 -1.26 -4.90 113.62 107.68 2oqn n SER 196 Ca 0.07 -0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.62 2oqn n SER 196 Cb 0.38 -3.94 0.15 0.00 -1.01 0.00 0.00 64.21 59.78 2oqn n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2oqn s SER 197 N -2.30 3.33 0.23 6.43 0.01 -0.98 -4.98 113.70 115.45 2oqn s SER 197 Ca 0.01 1.90 0.10 0.00 1.31 0.00 0.00 55.95 59.27 2oqn s SER 197 Cb -0.01 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 2oqn s SER 197 CO 0.02 -2.80 -0.08 0.20 0.41 0.00 0.00 173.24 170.99 2oqn s ASN 198 N -3.01 4.23 0.07 2.44 0.01 -1.26 -4.62 114.94 112.80 2oqn s ASN 198 Ca 0.65 -0.70 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 2oqn s ASN 198 Cb -0.20 -0.68 -0.04 0.00 0.41 0.00 0.00 41.25 40.73 2oqn s ASN 198 CO 0.58 0.05 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.86 2oqn s TYR 199 N -2.11 0.67 -0.08 2.20 2.02 -0.58 -0.35 117.35 119.12 2oqn s TYR 199 Ca 0.28 -1.00 0.02 0.00 -0.37 0.00 0.00 57.07 56.00 2oqn s TYR 199 Cb -0.07 -0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.06 2oqn s TYR 199 CO 0.17 -0.29 -0.13 0.50 -1.57 0.00 0.00 175.55 174.23 2oqn s ARG 200 N -3.87 1.85 -0.27 -0.62 3.52 0.42 -0.92 118.95 119.07 2oqn s ARG 200 Ca 0.09 -0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 55.15 2oqn s ARG 200 Cb 0.07 -1.55 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 2oqn s ARG 200 CO -0.08 -0.00 0.11 0.08 -0.81 0.00 0.00 175.30 174.60 2oqn s VAL 201 N 0.78 4.58 -0.18 7.11 1.01 0.21 -1.51 120.40 132.39 2oqn s VAL 201 Ca -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2oqn s VAL 201 Cb -0.16 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2oqn s VAL 201 CO 0.02 0.28 -0.10 -0.89 0.00 0.00 0.00 175.10 174.41 2oqn s THR 202 N 1.65 3.09 0.13 3.92 2.01 0.41 -0.30 115.64 126.55 2oqn s THR 202 Ca 0.06 -0.61 -0.23 0.00 0.31 0.00 0.00 61.69 61.22 2oqn s THR 202 Cb -0.16 -2.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.92 2oqn s THR 202 CO 0.06 0.48 0.70 -0.36 -0.69 0.00 0.00 174.62 174.80 2oqn s PHE 203 N 1.01 3.87 -1.17 4.92 0.08 0.06 -0.87 117.98 125.88 2oqn s PHE 203 Ca -0.01 1.50 -0.13 0.00 0.12 0.00 0.00 56.93 58.41 2oqn s PHE 203 Cb -0.15 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.62 2oqn s PHE 203 CO -0.01 0.54 0.78 0.00 -0.10 0.00 0.00 175.22 176.43 2oqn h PRO 205 N -1.72 0.00 0.00 0.00 0.13 -1.79 -3.18 132.00 125.43 2oqn h PRO 205 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2oqn h PRO 205 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2oqn h PRO 205 CO 0.50 0.01 -0.58 0.25 -0.23 0.00 0.00 178.00 177.94 2oqn n THR 206 N -3.11 1.29 -0.40 1.56 -2.24 -1.26 -5.07 114.28 105.04 2oqn n THR 206 Ca -0.01 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2oqn n THR 206 Cb 0.21 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.15 2oqn n THR 206 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50