#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnj n ILE 2 N 0.00 0.00 -3.57 -0.61 -0.00 -1.26 -5.00 119.36 108.91 1wnj n ILE 2 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 62.75 62.53 1wnj n ILE 2 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.64 39.49 1wnj n ILE 2 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1wnj s ARG 3 N 1.47 0.10 -0.20 0.38 3.52 -1.26 -5.13 118.95 117.83 1wnj s ARG 3 Ca 0.00 0.10 -0.21 0.00 -0.13 0.00 0.00 55.73 55.49 1wnj s ARG 3 Cb 0.00 -1.41 0.06 0.00 -1.56 0.00 0.00 34.95 32.04 1wnj s ARG 3 CO 0.00 -0.62 0.58 1.41 -0.81 0.00 0.00 175.30 175.86 1wnj s MET 4 N 2.23 0.71 -0.71 5.12 1.75 -1.26 -5.11 119.30 122.03 1wnj s MET 4 Ca 0.04 0.73 0.01 0.00 -1.25 0.00 0.00 55.69 55.23 1wnj s MET 4 Cb -0.15 0.35 0.18 0.00 2.84 0.00 0.00 34.83 38.04 1wnj s MET 4 CO -0.10 -0.11 0.53 0.00 -0.65 0.00 0.00 175.02 174.70 1wnj s ALA 5 N 0.12 3.82 0.29 4.11 0.00 -1.26 -5.05 121.76 123.79 1wnj s ALA 5 Ca -0.01 -3.65 0.10 0.00 0.00 0.00 0.00 51.96 48.40 1wnj s ALA 5 Cb -0.04 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 1wnj s ALA 5 CO 0.02 -2.10 -0.07 0.99 0.00 0.00 0.00 175.76 174.59 1wnj s THR 6 N -0.99 2.91 0.17 0.00 2.01 -1.26 -5.10 115.64 113.38 1wnj s THR 6 Ca 0.23 -2.10 0.02 0.00 0.31 0.00 0.00 61.69 60.14 1wnj s THR 6 Cb -0.12 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 1wnj s THR 6 CO -0.10 -0.34 0.07 1.17 -0.69 0.00 0.00 174.62 174.73 1wnj n LYS 7 N -0.81 0.68 -4.15 4.92 4.81 -0.82 -5.05 118.16 117.74 1wnj n LYS 7 Ca -0.05 -1.44 -0.16 0.00 -0.87 0.00 0.00 58.31 55.79 1wnj n LYS 7 Cb 0.60 0.85 -0.11 0.00 0.02 0.00 0.00 35.03 36.39 1wnj n LYS 7 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1wnj s ILE 8 N -2.25 0.95 -0.88 3.15 -0.00 -1.26 -3.47 121.20 117.44 1wnj s ILE 8 Ca 0.10 -1.37 -0.10 0.00 -0.00 0.00 0.00 60.65 59.29 1wnj s ILE 8 Cb 0.00 -1.07 0.23 0.00 -0.00 0.00 0.00 42.46 41.62 1wnj s ILE 8 CO 0.07 -0.36 0.81 -0.62 -0.00 0.00 0.00 174.94 174.84 1wnj s ASP 9 N -1.93 6.58 0.54 4.36 -1.08 -1.24 -4.91 116.67 118.99 1wnj s ASP 9 Ca -0.01 -3.09 0.25 0.00 -0.52 0.00 0.00 52.55 49.18 1wnj s ASP 9 Cb -0.08 -2.12 1.42 0.00 -1.46 0.00 0.00 42.92 40.68 1wnj s ASP 9 CO 0.01 -0.42 2.01 0.07 0.52 0.00 0.00 175.17 177.37 1wnj h LYS 10 N 7.15 0.00 0.01 4.34 2.10 -1.98 -1.76 116.57 126.43 1wnj h LYS 10 Ca 0.11 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1wnj h LYS 10 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1wnj h LYS 10 CO 0.83 0.00 -0.01 0.93 -2.00 0.00 0.00 179.45 179.20 1wnj h GLU 11 N 0.00 -0.02 -0.62 0.07 4.39 -1.98 0.21 114.58 116.64 1wnj h GLU 11 Ca 0.22 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 1wnj h GLU 11 Cb 0.90 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1wnj h GLU 11 CO -0.00 0.67 0.16 0.00 -1.16 0.00 0.00 179.01 178.69 1wnj h ALA 12 N 0.22 1.12 -0.36 3.43 0.00 -1.93 -1.88 119.26 119.86 1wnj h ALA 12 Ca -0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1wnj h ALA 12 Cb 0.70 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wnj h ALA 12 CO 0.00 0.59 -0.23 0.00 0.00 0.00 0.00 179.25 179.61 1wnj h ARG 14 N 0.58 0.86 -0.68 0.00 2.43 -0.27 -2.38 114.38 114.92 1wnj h ARG 14 Ca 0.07 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1wnj h ARG 14 Cb 0.79 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1wnj h ARG 14 CO 0.06 0.57 0.45 0.00 -1.51 0.00 0.00 179.97 179.55 1wnj h ALA 15 N 1.56 1.78 0.00 2.80 0.00 -1.24 0.18 119.26 124.33 1wnj h ALA 15 Ca 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1wnj h ALA 15 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wnj h ALA 15 CO -0.14 0.10 -0.00 0.00 0.00 0.00 0.00 179.25 179.21 1wnj h ALA 16 N 1.64 -0.00 -0.82 0.00 0.00 -1.55 -3.27 119.26 115.25 1wnj h ALA 16 Ca 0.30 -0.45 0.18 0.00 0.00 0.00 0.00 54.91 54.94 1wnj h ALA 16 Cb 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1wnj h ALA 16 CO -0.10 -0.04 0.33 -0.92 0.00 0.00 0.00 179.25 178.52 1wnj h TYR 17 N -0.92 0.54 -0.47 0.00 3.20 -0.99 -1.86 116.97 116.48 1wnj h TYR 17 Ca -0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1wnj h TYR 17 Cb 0.91 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1wnj h TYR 17 CO 0.25 -0.01 0.10 -0.97 -1.64 0.00 0.00 178.16 175.89 1wnj h ASN 18 N 0.40 0.72 0.22 -2.11 -1.24 -0.78 -0.96 115.58 111.84 1wnj h ASN 18 Ca 0.48 -0.24 -0.01 0.00 0.71 0.00 0.00 56.30 57.24 1wnj h ASN 18 Cb 0.84 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.70 1wnj h ASN 18 CO -0.48 0.78 -0.11 -0.07 -1.29 0.00 0.00 177.43 176.26 1wnj h LEU 19 N 0.63 -0.25 -1.55 0.34 4.07 -1.42 -0.79 115.31 116.35 1wnj h LEU 19 Ca 0.15 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 1wnj h LEU 19 Cb 0.34 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1wnj h LEU 19 CO 0.00 -0.15 0.26 0.58 -1.08 0.00 0.00 178.44 178.06 1wnj h VAL 20 N -0.34 1.12 -0.05 1.22 2.07 -1.25 -1.65 116.25 117.37 1wnj h VAL 20 Ca -0.03 -0.25 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 1wnj h VAL 20 Cb 0.26 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1wnj h VAL 20 CO 0.05 0.12 -0.64 -0.09 0.02 0.00 0.00 177.57 177.03 1wnj h ARG 21 N 0.58 0.22 -7.08 1.57 2.43 -1.04 -3.43 114.38 107.62 1wnj h ARG 21 Ca 0.15 -0.16 -0.52 0.00 -0.81 0.00 0.00 59.98 58.64 1wnj h ARG 21 Cb -0.03 0.03 0.10 0.00 -0.42 0.00 0.00 29.97 29.65 1wnj h ARG 21 CO -0.03 0.79 0.48 0.34 -1.51 0.00 0.00 179.97 180.03 1wnj s ASP 22 N -6.90 5.41 0.28 -3.80 2.15 -0.31 -4.98 116.67 108.52 1wnj s ASP 22 Ca -0.04 2.37 0.18 0.00 0.43 0.00 0.00 52.55 55.50 1wnj s ASP 22 Cb 0.12 -2.60 0.10 0.00 -0.30 0.00 0.00 42.92 40.24 1wnj s ASP 22 CO 0.80 -1.44 1.36 0.44 -0.17 0.00 0.00 175.17 176.15 1wnj h ASP 23 N 1.13 0.00 0.00 -0.34 5.19 -1.90 -3.34 116.42 117.15 1wnj h ASP 23 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1wnj h ASP 23 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1wnj h ASP 23 CO 0.56 0.32 -1.28 0.61 -3.12 0.00 0.00 179.24 176.33 1wnj n GLY 24 N 1.21 -0.71 3.68 2.75 0.00 -1.26 -4.95 105.19 105.91 1wnj n GLY 24 Ca 0.01 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1wnj n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wnj s SER 25 N -3.29 6.61 0.28 1.61 0.15 -1.26 -4.89 113.70 112.92 1wnj s SER 25 Ca 0.00 2.44 0.07 0.00 0.70 0.00 0.00 55.95 59.17 1wnj s SER 25 Cb 0.12 -2.55 0.41 0.00 -1.71 0.00 0.00 66.02 62.29 1wnj s SER 25 CO 0.72 -0.90 1.66 0.00 1.20 0.00 0.00 173.24 175.92 1wnj h ALA 26 N 8.72 1.05 -2.63 5.45 0.00 -1.92 -3.43 119.26 126.49 1wnj h ALA 26 Ca -0.42 -0.46 -0.52 0.00 0.00 0.00 0.00 54.91 53.50 1wnj h ALA 26 Cb 1.20 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 18.96 1wnj h ALA 26 CO 0.93 0.64 1.01 0.08 0.00 0.00 0.00 179.25 181.92 1wnj s VAL 27 N -3.97 2.15 -0.03 0.00 1.01 -1.26 -4.55 120.40 113.75 1wnj s VAL 27 Ca -0.04 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1wnj s VAL 27 Cb 0.13 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 1wnj s VAL 27 CO 0.77 0.00 0.08 2.30 0.00 0.00 0.00 175.10 178.26 1wnj n ILE 28 N 4.08 0.16 -4.59 2.22 -6.64 -0.40 -4.44 119.36 109.75 1wnj n ILE 28 Ca 0.16 -0.18 -0.22 0.00 -1.77 0.00 0.00 62.75 60.74 1wnj n ILE 28 Cb 0.36 -0.17 -0.15 0.00 -1.44 0.00 0.00 39.64 38.23 1wnj n ILE 28 CO 0.00 0.00 0.00 -1.66 -1.77 0.00 0.00 176.55 173.12 1wnj s TRP 29 N -2.28 1.23 0.01 4.28 1.48 -0.73 -0.79 118.94 122.15 1wnj s TRP 29 Ca -0.02 -0.28 -0.01 0.00 -1.06 0.00 0.00 56.10 54.73 1wnj s TRP 29 Cb 0.03 -0.82 -0.01 0.00 -1.16 0.00 0.00 33.47 31.50 1wnj s TRP 29 CO 0.23 -0.07 -0.00 0.08 -4.06 0.00 0.00 176.95 173.13 1wnj s VAL 30 N -0.10 0.09 0.26 -0.66 1.01 -0.55 -0.95 120.40 119.50 1wnj s VAL 30 Ca 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1wnj s VAL 30 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1wnj s VAL 30 CO 0.00 -0.41 0.21 0.42 0.00 0.00 0.00 175.10 175.33 1wnj s THR 31 N -1.22 4.43 -0.10 3.92 -4.23 0.18 -0.37 115.64 118.25 1wnj s THR 31 Ca -0.13 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1wnj s THR 31 Cb -0.08 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.37 1wnj s THR 31 CO -0.01 -0.34 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.29 1wnj s PHE 32 N -2.14 1.48 0.54 3.99 0.08 0.05 -0.62 117.98 121.36 1wnj s PHE 32 Ca 0.33 -0.69 0.09 0.00 0.12 0.00 0.00 56.93 56.79 1wnj s PHE 32 Cb -0.08 -1.19 0.07 0.00 -0.57 0.00 0.00 43.02 41.25 1wnj s PHE 32 CO 0.25 -0.44 0.73 0.15 -0.10 0.00 0.00 175.22 175.80 1wnj s LYS 33 N 1.38 2.42 0.17 0.44 -0.14 0.99 -2.98 119.74 122.02 1wnj s LYS 33 Ca -0.01 -1.57 0.09 0.00 -1.36 0.00 0.00 55.97 53.12 1wnj s LYS 33 Cb -0.14 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 1wnj s LYS 33 CO -0.05 -0.72 -0.14 0.71 -0.76 0.00 0.00 175.35 174.40 1wnj s TYR 34 N -2.60 2.55 0.05 3.18 1.51 -1.26 -0.79 117.35 119.98 1wnj s TYR 34 Ca 0.59 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 56.41 1wnj s TYR 34 Cb -0.06 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 1wnj s TYR 34 CO 0.37 0.49 -0.05 0.34 -1.11 0.00 0.00 175.55 175.58 1wnj s ASP 35 N -2.68 0.66 0.00 2.29 2.15 -0.33 -4.85 116.67 113.91 1wnj s ASP 35 Ca 0.23 -0.67 0.00 0.00 0.43 0.00 0.00 52.55 52.54 1wnj s ASP 35 Cb -0.09 0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.62 1wnj s ASP 35 CO 0.13 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 1wnj n GLY 36 N 1.08 0.00 0.58 2.66 0.00 -1.26 -0.55 105.19 107.70 1wnj n GLY 36 Ca -0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 1wnj n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wnj n SER 37 N 0.00 1.26 -3.85 1.61 3.41 -1.26 -5.11 113.62 109.69 1wnj n SER 37 Ca 0.00 -2.72 -0.10 0.00 -0.26 0.00 0.00 58.87 55.79 1wnj n SER 37 Cb 0.00 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 1wnj n SER 37 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wnj s THR 38 N -1.54 0.00 0.00 6.66 -1.32 0.29 -1.95 115.64 117.78 1wnj s THR 38 Ca 0.24 -1.44 -0.15 0.00 -1.21 0.00 0.00 61.69 59.13 1wnj s THR 38 Cb 0.24 -2.31 -0.06 0.00 -1.51 0.00 0.00 72.50 68.86 1wnj s THR 38 CO -0.04 0.00 0.42 -0.63 -2.21 0.00 0.00 174.62 172.17 1wnj s ILE 39 N -3.80 5.01 0.10 5.08 -1.09 -1.23 -1.19 121.20 124.08 1wnj s ILE 39 Ca 0.24 0.87 0.05 0.00 -2.23 0.00 0.00 60.65 59.58 1wnj s ILE 39 Cb -0.01 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1wnj s ILE 39 CO 0.11 0.57 -0.12 0.68 -1.23 0.00 0.00 174.94 174.95 1wnj s VAL 40 N -1.02 1.09 0.58 2.92 -7.23 0.03 -3.69 120.40 113.08 1wnj s VAL 40 Ca 0.24 -1.58 -0.17 0.00 -1.81 0.00 0.00 61.98 58.66 1wnj s VAL 40 Cb -0.17 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1wnj s VAL 40 CO 0.14 -0.44 1.07 -2.16 -0.31 0.00 0.00 175.10 173.39 1wnj s PRO 41 N -2.51 3.31 0.00 4.82 0.04 -1.26 -0.01 135.00 139.39 1wnj s PRO 41 Ca 0.05 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1wnj s PRO 41 Cb -0.05 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1wnj s PRO 41 CO 0.01 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1wnj n GLY 42 N -0.72 4.95 3.76 0.56 0.00 0.21 -4.54 105.19 109.41 1wnj n GLY 42 Ca 0.09 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 1wnj n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wnj s GLU 43 N 4.25 1.64 0.15 1.61 0.41 -1.26 -4.72 118.70 120.78 1wnj s GLU 43 Ca 0.00 0.68 -0.06 0.00 -0.41 0.00 0.00 54.97 55.18 1wnj s GLU 43 Cb 0.00 -1.86 -0.02 0.00 -1.78 0.00 0.00 34.13 30.47 1wnj s GLU 43 CO 0.00 -1.94 0.21 1.14 -0.49 0.00 0.00 175.26 174.17 1wnj s GLN 44 N -5.07 1.07 0.18 1.61 0.00 -1.26 -0.65 119.66 115.55 1wnj s GLN 44 Ca 0.62 -1.25 -0.23 0.00 -0.00 0.00 0.00 55.36 54.50 1wnj s GLN 44 Cb -0.16 0.33 0.07 0.00 0.00 0.00 0.00 33.01 33.25 1wnj s GLN 44 CO 0.55 -0.36 0.97 0.20 0.00 0.00 0.00 175.29 176.65 1wnj s GLY 45 N -2.99 -0.06 0.00 2.60 0.00 -0.13 -4.99 107.32 101.75 1wnj s GLY 45 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1wnj s GLY 45 CO 0.00 0.81 0.64 0.00 0.00 0.00 0.00 173.10 174.55 1wnj n ALA 46 N -0.56 1.47 -3.65 3.20 0.00 -1.26 -1.27 120.51 118.44 1wnj n ALA 46 Ca -0.05 -0.64 -0.22 0.00 0.00 0.00 0.00 53.44 52.53 1wnj n ALA 46 Cb 0.60 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.89 1wnj n ALA 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wnj s GLU 47 N -0.39 1.02 0.20 0.00 -6.30 -1.26 -4.86 118.70 107.11 1wnj s GLU 47 Ca 0.00 -0.14 0.25 0.00 -2.50 0.00 0.00 54.97 52.57 1wnj s GLU 47 Cb 0.00 -1.04 0.48 0.00 0.00 0.00 0.00 34.13 33.57 1wnj s GLU 47 CO 0.00 -0.12 1.50 -0.92 0.02 0.00 0.00 175.26 175.74 1wnj h TYR 48 N 7.44 0.00 -0.99 5.30 3.20 -2.01 -3.34 116.97 126.57 1wnj h TYR 48 Ca -0.33 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.58 1wnj h TYR 48 Cb 1.15 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.36 1wnj h TYR 48 CO 0.49 0.00 0.65 0.37 -1.64 0.00 0.00 178.16 178.03 1wnj h GLN 49 N 0.00 1.22 -0.06 1.82 4.15 -2.01 0.22 115.11 120.46 1wnj h GLN 49 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1wnj h GLN 49 Cb 0.80 -0.28 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 1wnj h GLN 49 CO 0.00 0.81 0.01 0.45 -1.93 0.00 0.00 178.83 178.17 1wnj h HIS 50 N 1.26 0.07 -0.24 3.99 3.86 -2.00 -1.74 115.15 120.34 1wnj h HIS 50 Ca 0.39 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.47 1wnj h HIS 50 Cb -0.00 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1wnj h HIS 50 CO -0.00 0.07 -0.42 0.35 0.86 0.00 0.00 177.93 178.79 1wnj h PHE 51 N 0.08 0.70 -0.25 2.45 3.57 -1.14 -0.34 116.94 122.01 1wnj h PHE 51 Ca 0.02 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 1wnj h PHE 51 Cb 0.03 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1wnj h PHE 51 CO 0.00 0.90 0.11 0.82 -2.23 0.00 0.00 178.31 177.91 1wnj h ILE 52 N 0.48 1.16 -0.47 1.41 1.08 -0.99 -2.77 117.51 117.41 1wnj h ILE 52 Ca 0.04 -0.47 -0.05 0.00 -0.39 0.00 0.00 64.86 63.99 1wnj h ILE 52 Cb 0.93 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 1wnj h ILE 52 CO 0.08 0.16 0.09 1.56 -0.69 0.00 0.00 178.15 179.36 1wnj h GLN 53 N 0.27 0.71 0.00 2.37 1.08 -1.28 -2.81 115.11 115.44 1wnj h GLN 53 Ca 0.09 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1wnj h GLN 53 Cb 0.15 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1wnj h GLN 53 CO -0.01 0.66 -0.01 1.96 -0.95 0.00 0.00 178.83 180.47 1wnj h GLN 54 N 0.69 0.00 -6.20 1.46 1.08 -0.76 -3.42 115.11 107.95 1wnj h GLN 54 Ca 0.15 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.79 1wnj h GLN 54 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1wnj h GLN 54 CO 0.00 0.01 1.29 0.00 -0.95 0.00 0.00 178.83 179.18 1wnj s THR 56 N 6.22 4.83 0.00 0.00 -4.23 -1.26 -5.08 115.64 116.12 1wnj s THR 56 Ca 0.86 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1wnj s THR 56 Cb -0.31 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1wnj s THR 56 CO 0.34 -0.10 0.76 -0.90 -0.54 0.00 0.00 174.62 174.19 1wnj n ASP 57 N -0.42 0.00 -0.08 3.99 5.75 -1.26 -4.38 116.55 120.15 1wnj n ASP 57 Ca -0.08 0.76 -0.10 0.00 -0.01 0.00 0.00 54.79 55.36 1wnj n ASP 57 Cb 0.54 -0.26 -0.09 0.00 -1.03 0.00 0.00 41.12 40.28 1wnj n ASP 57 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1wnj n ASP 58 N -1.99 2.19 -4.65 -1.12 2.03 -1.26 -4.46 116.55 107.29 1wnj n ASP 58 Ca 0.00 -0.06 -0.46 0.00 0.52 0.00 0.00 54.79 54.79 1wnj n ASP 58 Cb 0.00 0.15 -0.04 0.00 -0.72 0.00 0.00 41.12 40.51 1wnj n ASP 58 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1wnj n VAL 59 N -2.83 0.43 -3.78 5.18 0.24 -1.26 -4.27 118.33 112.04 1wnj n VAL 59 Ca -0.28 -0.11 -0.36 0.00 -2.04 0.00 0.00 64.34 61.55 1wnj n VAL 59 Cb 0.88 -1.37 -0.11 0.00 -1.47 0.00 0.00 33.84 31.77 1wnj n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wnj s ARG 60 N 0.25 3.85 0.46 7.34 3.03 -1.26 -4.35 118.95 128.27 1wnj s ARG 60 Ca 0.75 -0.39 0.03 0.00 2.03 0.00 0.00 55.73 58.15 1wnj s ARG 60 Cb -0.71 -3.39 -0.03 0.00 -1.03 0.00 0.00 34.95 29.78 1wnj s ARG 60 CO 0.45 -0.04 0.03 -1.17 -1.13 0.00 0.00 175.30 173.44 1wnj s LEU 61 N 1.27 2.34 0.05 -1.89 2.96 -0.72 -4.96 118.68 117.72 1wnj s LEU 61 Ca 0.06 -1.58 0.02 0.00 -0.22 0.00 0.00 54.13 52.40 1wnj s LEU 61 Cb -0.14 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.90 1wnj s LEU 61 CO 0.05 -0.77 -0.07 -0.36 -1.32 0.00 0.00 176.35 173.87 1wnj s PHE 62 N -2.94 0.66 -0.07 5.38 0.40 -1.16 -0.50 117.98 119.76 1wnj s PHE 62 Ca 0.17 -0.58 -0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1wnj s PHE 62 Cb 0.04 -0.40 0.04 0.00 0.51 0.00 0.00 43.02 43.21 1wnj s PHE 62 CO 0.09 -0.11 0.14 0.00 0.70 0.00 0.00 175.22 176.04 1wnj s ALA 63 N -1.79 -0.14 -0.19 5.36 0.00 0.63 -0.77 121.76 124.86 1wnj s ALA 63 Ca -0.07 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 52.22 1wnj s ALA 63 Cb -0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1wnj s ALA 63 CO -0.01 -0.42 0.66 0.12 0.00 0.00 0.00 175.76 176.12 1wnj s PHE 64 N 1.90 3.39 -0.00 0.00 5.36 0.50 -0.37 117.98 128.75 1wnj s PHE 64 Ca -0.01 0.99 0.02 0.00 -0.96 0.00 0.00 56.93 56.97 1wnj s PHE 64 Cb -0.12 -2.83 -0.01 0.00 -0.34 0.00 0.00 43.02 39.73 1wnj s PHE 64 CO -0.05 -0.17 -0.08 0.08 -1.46 0.00 0.00 175.22 173.54 1wnj s VAL 65 N 1.87 0.59 -0.29 3.12 1.01 -1.16 -1.48 120.40 124.07 1wnj s VAL 65 Ca 0.30 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 1wnj s VAL 65 Cb -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1wnj s VAL 65 CO 0.11 0.14 0.83 -0.60 0.00 0.00 0.00 175.10 175.58 1wnj s ARG 66 N -0.25 4.03 -0.19 2.72 3.00 0.03 -2.29 118.95 126.00 1wnj s ARG 66 Ca 0.02 0.74 -0.03 0.00 -1.00 0.00 0.00 55.73 55.46 1wnj s ARG 66 Cb -0.03 -3.71 -0.01 0.00 0.00 0.00 0.00 34.95 31.20 1wnj s ARG 66 CO -0.00 -0.66 -0.06 0.12 0.00 0.00 0.00 175.30 174.69 1wnj s PHE 67 N 3.00 2.93 -0.24 5.12 5.36 0.70 -4.90 117.98 129.95 1wnj s PHE 67 Ca 0.34 -0.81 -0.29 0.00 -0.96 0.00 0.00 56.93 55.22 1wnj s PHE 67 Cb -0.14 -2.02 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 1wnj s PHE 67 CO 0.11 -0.41 1.39 0.99 -1.46 0.00 0.00 175.22 175.84 1wnj s THR 68 N 1.08 4.03 0.72 0.12 2.01 -1.26 -1.02 115.64 121.32 1wnj s THR 68 Ca 0.01 1.18 -0.08 0.00 0.31 0.00 0.00 61.69 63.12 1wnj s THR 68 Cb -0.15 -3.98 0.06 0.00 0.01 0.00 0.00 72.50 68.44 1wnj s THR 68 CO -0.01 -0.35 1.04 -0.89 -0.69 0.00 0.00 174.62 173.73 1wnj s THR 69 N 4.41 2.29 0.18 -0.82 2.01 -0.89 -4.93 115.64 117.88 1wnj s THR 69 Ca 0.60 -0.20 -0.33 0.00 0.31 0.00 0.00 61.69 62.08 1wnj s THR 69 Cb -0.20 -3.02 -0.13 0.00 0.01 0.00 0.00 72.50 69.15 1wnj s THR 69 CO 0.23 -0.03 1.59 0.61 -0.69 0.00 0.00 174.62 176.34 1wnj n GLY 70 N -2.99 1.18 3.72 4.40 0.00 -1.26 -4.69 105.19 105.55 1wnj n GLY 70 Ca 0.08 0.63 -0.31 0.00 0.00 0.00 0.00 46.02 46.43 1wnj n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wnj s ASP 71 N 0.91 3.69 0.13 1.61 1.01 -1.26 -4.70 116.67 118.06 1wnj s ASP 71 Ca 0.77 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.96 1wnj s ASP 71 Cb -0.64 -2.50 -0.00 0.00 1.01 0.00 0.00 42.92 40.78 1wnj s ASP 71 CO 0.38 -2.57 0.17 0.00 0.21 0.00 0.00 175.17 173.35 1wnj n ALA 72 N -3.87 -0.03 0.25 5.23 0.00 -1.26 -5.02 120.51 115.80 1wnj n ALA 72 Ca 0.10 -0.64 0.03 0.00 0.00 0.00 0.00 53.44 52.92 1wnj n ALA 72 Cb 0.53 0.52 0.13 0.00 0.00 0.00 0.00 19.45 20.63 1wnj n ALA 72 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wnj n MET 73 N -0.22 0.07 -4.15 0.00 2.81 -1.26 -4.58 117.12 109.79 1wnj n MET 73 Ca 0.01 0.24 -0.11 0.00 -1.81 0.00 0.00 57.70 56.03 1wnj n MET 73 Cb 0.22 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.13 1wnj n MET 73 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1wnj s SER 74 N -2.59 1.11 0.63 7.83 0.01 -1.26 -5.10 113.70 114.33 1wnj s SER 74 Ca 0.05 -0.93 -0.18 0.00 1.31 0.00 0.00 55.95 56.20 1wnj s SER 74 Cb 0.04 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 1wnj s SER 74 CO 0.08 -0.42 1.09 0.29 0.41 0.00 0.00 173.24 174.69 1wnj n LYS 75 N 0.21 0.93 -4.14 12.44 5.02 -1.26 -4.92 118.16 126.44 1wnj n LYS 75 Ca -0.14 0.37 -0.18 0.00 -2.02 0.00 0.00 58.31 56.34 1wnj n LYS 75 Cb 0.60 -2.31 -0.16 0.00 -0.02 0.00 0.00 35.03 33.14 1wnj n LYS 75 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wnj s ARG 76 N -3.06 0.60 -0.09 1.97 1.81 -1.26 -4.91 118.95 114.00 1wnj s ARG 76 Ca 0.79 -0.12 -0.08 0.00 -1.72 0.00 0.00 55.73 54.60 1wnj s ARG 76 Cb -0.39 -0.62 0.03 0.00 -0.45 0.00 0.00 34.95 33.51 1wnj s ARG 76 CO 0.44 -0.00 0.24 0.45 -0.68 0.00 0.00 175.30 175.75 1wnj s SER 77 N 0.49 -0.25 0.30 0.23 0.15 -1.26 -2.09 113.70 111.27 1wnj s SER 77 Ca -0.06 0.48 0.02 0.00 0.70 0.00 0.00 55.95 57.10 1wnj s SER 77 Cb -0.09 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1wnj s SER 77 CO -0.00 -0.09 0.30 -0.54 1.20 0.00 0.00 173.24 174.11 1wnj s LYS 78 N 0.22 1.66 -0.08 5.44 -0.14 -0.19 -4.86 119.74 121.80 1wnj s LYS 78 Ca -0.01 -1.84 0.00 0.00 -1.36 0.00 0.00 55.97 52.77 1wnj s LYS 78 Cb -0.02 0.35 0.02 0.00 -1.68 0.00 0.00 37.83 36.50 1wnj s LYS 78 CO -0.00 -0.63 -0.07 -0.06 -0.76 0.00 0.00 175.35 173.83 1wnj s PHE 79 N -3.54 1.16 -0.28 3.18 0.40 -1.26 -0.22 117.98 117.43 1wnj s PHE 79 Ca 0.37 -0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1wnj s PHE 79 Cb 0.03 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.59 1wnj s PHE 79 CO 0.22 -0.36 0.02 0.00 0.70 0.00 0.00 175.22 175.80 1wnj s ALA 80 N 1.35 2.91 -0.40 5.36 0.00 -0.97 -1.23 121.76 128.78 1wnj s ALA 80 Ca -0.03 -1.51 -0.27 0.00 0.00 0.00 0.00 51.96 50.15 1wnj s ALA 80 Cb -0.14 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 21.03 1wnj s ALA 80 CO -0.03 -0.95 0.99 -1.17 0.00 0.00 0.00 175.76 174.60 1wnj s LEU 81 N 1.40 3.92 -0.14 0.00 0.20 -0.62 -2.96 118.68 120.48 1wnj s LEU 81 Ca 0.01 0.55 -0.29 0.00 0.69 0.00 0.00 54.13 55.08 1wnj s LEU 81 Cb -0.17 -3.34 -0.01 0.00 -0.43 0.00 0.00 46.19 42.23 1wnj s LEU 81 CO -0.00 -0.97 1.04 -0.63 -0.29 0.00 0.00 176.35 175.50 1wnj s ILE 82 N 3.73 4.69 -0.22 6.68 1.09 0.50 -0.56 121.20 137.11 1wnj s ILE 82 Ca 0.41 1.98 -0.07 0.00 -1.10 0.00 0.00 60.65 61.87 1wnj s ILE 82 Cb -0.11 -4.27 -0.03 0.00 -1.06 0.00 0.00 42.46 36.99 1wnj s ILE 82 CO 0.22 -0.05 0.05 -0.89 -0.10 0.00 0.00 174.94 174.17 1wnj s THR 83 N 2.39 4.29 -0.22 2.92 2.01 0.64 -0.27 115.64 127.40 1wnj s THR 83 Ca 0.48 -0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 1wnj s THR 83 Cb -0.18 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1wnj s THR 83 CO 0.15 0.38 0.36 0.86 -0.69 0.00 0.00 174.62 175.68 1wnj s TRP 84 N 1.22 3.34 -0.48 4.92 -0.11 0.35 -0.90 118.94 127.27 1wnj s TRP 84 Ca 0.04 0.51 0.04 0.00 1.22 0.00 0.00 56.10 57.91 1wnj s TRP 84 Cb -0.14 -2.50 0.16 0.00 -1.50 0.00 0.00 33.47 29.49 1wnj s TRP 84 CO 0.03 -0.05 0.36 0.42 -4.62 0.00 0.00 176.95 173.09 1wnj s ILE 85 N 1.44 1.07 0.05 5.86 -1.09 0.34 -1.76 121.20 127.12 1wnj s ILE 85 Ca 0.16 -2.97 -0.38 0.00 -2.23 0.00 0.00 60.65 55.24 1wnj s ILE 85 Cb -0.15 -1.73 -0.18 0.00 -1.58 0.00 0.00 42.46 38.82 1wnj s ILE 85 CO 0.08 -1.12 1.19 0.61 -1.23 0.00 0.00 174.94 174.46 1wnj n GLY 86 N 2.80 0.05 0.02 6.18 0.00 -1.26 -4.04 105.19 108.94 1wnj n GLY 86 Ca 0.24 0.71 0.01 0.00 0.00 0.00 0.00 46.02 46.98 1wnj n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wnj n GLU 87 N 1.98 0.02 0.06 1.61 2.13 -1.13 -0.85 120.64 124.45 1wnj n GLU 87 Ca 0.19 0.43 -0.04 0.00 0.66 0.00 0.00 57.16 58.40 1wnj n GLU 87 Cb 0.14 -1.66 -0.08 0.00 0.27 0.00 0.00 31.44 30.12 1wnj n GLU 87 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1wnj h ASN 88 N 0.00 0.00 -3.34 4.31 4.21 -1.86 -3.45 115.58 115.44 1wnj h ASN 88 Ca 0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 1wnj h ASN 88 Cb 0.21 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.44 1wnj h ASN 88 CO 0.00 0.82 0.62 0.54 -1.29 0.00 0.00 177.43 178.12 1wnj s VAL 89 N -2.78 3.43 0.31 2.81 0.11 -0.03 -4.99 120.40 119.25 1wnj s VAL 89 Ca 0.00 1.14 -0.02 0.00 -2.93 0.00 0.00 61.98 60.17 1wnj s VAL 89 Cb 0.09 -3.73 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1wnj s VAL 89 CO 0.80 0.15 0.40 -0.55 -3.33 0.00 0.00 175.10 172.57 1wnj s SER 90 N 0.45 0.78 0.47 3.54 0.15 -1.26 -4.81 113.70 113.02 1wnj s SER 90 Ca 0.57 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1wnj s SER 90 Cb -0.35 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1wnj s SER 90 CO 0.36 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 174.23 1wnj n GLY 91 N -0.51 -0.18 0.27 9.45 0.00 -1.26 -3.69 105.19 109.27 1wnj n GLY 91 Ca 0.02 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 45.08 1wnj n GLY 91 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wnj h LEU 92 N 0.00 0.11 -0.54 0.99 6.46 -2.00 -2.45 115.31 117.88 1wnj h LEU 92 Ca 0.00 -0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1wnj h LEU 92 Cb 0.00 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 1wnj h LEU 92 CO 0.00 0.09 0.31 1.56 -0.62 0.00 0.00 178.44 179.78 1wnj h GLN 93 N 0.13 0.59 -0.26 1.25 7.50 -1.99 0.13 115.11 122.45 1wnj h GLN 93 Ca 0.04 -0.04 -0.13 0.00 0.50 0.00 0.00 58.65 59.02 1wnj h GLN 93 Cb 0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 1wnj h GLN 93 CO -0.01 0.39 -0.38 -0.09 -1.50 0.00 0.00 178.83 177.24 1wnj h ARG 94 N 0.60 0.61 0.00 1.46 1.12 -1.56 -2.82 114.38 113.79 1wnj h ARG 94 Ca 0.22 -0.30 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 1wnj h ARG 94 Cb 0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.02 1wnj h ARG 94 CO -0.12 0.89 -0.04 0.00 -3.11 0.00 0.00 179.97 177.59 1wnj h ALA 95 N 1.08 1.29 0.17 2.80 0.00 -0.68 -2.86 119.26 121.06 1wnj h ALA 95 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1wnj h ALA 95 Cb 0.88 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1wnj h ALA 95 CO 0.08 0.05 -0.25 0.87 0.00 0.00 0.00 179.25 180.00 1wnj h LYS 96 N 0.00 -0.46 -0.98 0.00 1.57 -0.55 -0.90 116.57 115.24 1wnj h LYS 96 Ca -0.00 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1wnj h LYS 96 Cb 0.15 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.46 1wnj h LYS 96 CO 0.01 -0.31 0.59 1.15 -0.57 0.00 0.00 179.45 180.32 1wnj h THR 97 N -0.48 0.77 -0.22 -0.16 2.02 -1.65 0.31 112.91 113.49 1wnj h THR 97 Ca 0.02 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 66.98 1wnj h THR 97 Cb 0.48 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1wnj h THR 97 CO -0.11 0.15 0.28 1.23 0.37 0.00 0.00 175.52 177.44 1wnj h GLY 98 N 0.81 0.00 -0.14 2.16 0.00 -1.16 0.60 103.07 105.33 1wnj h GLY 98 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1wnj h GLY 98 CO -0.35 0.00 -0.14 2.41 0.00 0.00 0.00 176.54 178.46 1wnj n THR 99 N -3.64 0.00 -0.03 4.70 -1.04 0.24 -0.15 114.28 114.35 1wnj n THR 99 Ca 0.03 -0.43 0.03 0.00 -2.04 0.00 0.00 64.05 61.64 1wnj n THR 99 Cb 0.41 1.04 -0.13 0.00 -1.82 0.00 0.00 70.33 69.82 1wnj n THR 99 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1wnj n ASP 100 N -0.64 0.98 -0.06 8.00 8.00 0.85 -4.31 116.55 129.37 1wnj n ASP 100 Ca 0.02 0.00 0.23 0.00 0.71 0.00 0.00 54.79 55.75 1wnj n ASP 100 Cb 0.09 1.49 0.70 0.00 -0.02 0.00 0.00 41.12 43.39 1wnj n ASP 100 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1wnj h LYS 101 N 0.00 0.00 -0.53 -1.24 1.57 -1.14 0.14 116.57 115.37 1wnj h LYS 101 Ca -0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1wnj h LYS 101 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1wnj h LYS 101 CO 0.01 0.00 0.13 0.00 -0.57 0.00 0.00 179.45 179.02 1wnj h THR 102 N 0.00 1.22 0.60 -0.16 1.03 -1.84 -0.31 112.91 113.44 1wnj h THR 102 Ca 0.31 -0.80 -0.03 0.00 -0.01 0.00 0.00 66.41 65.88 1wnj h THR 102 Cb 1.27 0.68 0.01 0.00 -1.07 0.00 0.00 68.15 69.04 1wnj h THR 102 CO -0.00 0.30 -0.29 -0.07 -0.01 0.00 0.00 175.52 175.45 1wnj h LEU 103 N 0.78 -0.68 -2.06 0.00 3.38 -0.97 -1.32 115.31 114.43 1wnj h LEU 103 Ca 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1wnj h LEU 103 Cb 0.29 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wnj h LEU 103 CO -0.00 -0.39 -0.05 1.62 0.09 0.00 0.00 178.44 179.71 1wnj h VAL 104 N -0.99 0.84 -0.83 1.22 3.04 -1.60 -1.65 116.25 116.29 1wnj h VAL 104 Ca -0.08 -0.17 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 1wnj h VAL 104 Cb 0.62 1.10 -0.04 0.00 -2.01 0.00 0.00 31.29 30.95 1wnj h VAL 104 CO 0.14 0.05 0.41 0.50 -1.01 0.00 0.00 177.57 177.65 1wnj h LYS 105 N 0.00 1.18 -0.11 4.17 3.64 -0.70 0.29 116.57 125.03 1wnj h LYS 105 Ca -0.00 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1wnj h LYS 105 Cb 0.09 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1wnj h LYS 105 CO 0.01 0.89 0.15 0.93 -2.27 0.00 0.00 179.45 179.16 1wnj h GLU 106 N 1.16 0.00 0.00 1.90 4.39 -0.24 -2.16 114.58 119.64 1wnj h GLU 106 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1wnj h GLU 106 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1wnj h GLU 106 CO -0.04 0.00 -0.16 0.28 -1.16 0.00 0.00 179.01 177.93 1wnj h VAL 107 N 0.00 0.00 0.00 3.13 2.07 -1.29 -3.40 116.25 116.76 1wnj h VAL 107 Ca 0.05 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1wnj h VAL 107 Cb 0.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1wnj h VAL 107 CO -0.00 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.11 1wnj n VAL 108 N -3.87 0.17 0.08 2.57 0.31 -0.01 -4.57 118.33 113.01 1wnj n VAL 108 Ca -0.02 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.51 1wnj n VAL 108 Cb 0.08 -0.45 0.75 0.00 -0.91 0.00 0.00 33.84 33.30 1wnj n VAL 108 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1wnj h GLN 109 N 1.22 0.00 -4.60 5.55 1.08 -1.62 -3.14 115.11 113.60 1wnj h GLN 109 Ca 0.00 0.00 -0.74 0.00 -1.45 0.00 0.00 58.65 56.46 1wnj h GLN 109 Cb 0.21 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 27.46 1wnj h GLN 109 CO 0.00 0.00 1.28 -1.71 -0.95 0.00 0.00 178.83 177.45 1wnj n ASN 110 N -3.93 5.26 -3.44 1.46 5.15 -1.26 -4.94 115.26 113.55 1wnj n ASN 110 Ca 0.07 -2.99 -0.13 0.00 -0.60 0.00 0.00 54.58 50.93 1wnj n ASN 110 Cb 0.57 -1.55 -0.04 0.00 -0.53 0.00 0.00 39.78 38.22 1wnj n ASN 110 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1wnj s PHE 111 N 1.23 0.91 -0.01 1.20 -0.71 -1.19 -4.79 117.98 114.62 1wnj s PHE 111 Ca 0.42 -1.18 -0.07 0.00 -1.04 0.00 0.00 56.93 55.06 1wnj s PHE 111 Cb -0.03 -0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.72 1wnj s PHE 111 CO -0.01 -1.09 -0.13 0.00 -1.34 0.00 0.00 175.22 172.65 1wnj n ALA 112 N -0.51 2.20 -2.83 1.99 0.00 -0.36 -4.85 120.51 116.15 1wnj n ALA 112 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 1wnj n ALA 112 Cb 0.62 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 20.19 1wnj n ALA 112 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wnj s LYS 113 N -2.33 1.53 -0.06 0.00 3.01 -1.20 -5.05 119.74 115.64 1wnj s LYS 113 Ca -0.11 -1.48 0.05 0.00 -1.01 0.00 0.00 55.97 53.42 1wnj s LYS 113 Cb 0.02 0.41 -0.00 0.00 -1.01 0.00 0.00 37.83 37.24 1wnj s LYS 113 CO 0.16 -0.61 -0.20 -1.83 0.51 0.00 0.00 175.35 173.39 1wnj s GLU 114 N -3.84 2.20 -0.01 1.68 -1.05 -1.26 -1.59 118.70 114.82 1wnj s GLU 114 Ca 0.29 -0.72 0.01 0.00 -0.15 0.00 0.00 54.97 54.40 1wnj s GLU 114 Cb 0.02 -1.84 -0.04 0.00 -0.44 0.00 0.00 34.13 31.83 1wnj s GLU 114 CO 0.13 0.26 0.02 0.12 0.95 0.00 0.00 175.26 176.73 1wnj s PHE 115 N 0.08 3.12 -0.23 4.83 2.19 0.28 -4.91 117.98 123.34 1wnj s PHE 115 Ca -0.07 0.12 -0.08 0.00 0.33 0.00 0.00 56.93 57.23 1wnj s PHE 115 Cb -0.14 -1.69 -0.04 0.00 -1.31 0.00 0.00 43.02 39.84 1wnj s PHE 115 CO 0.04 0.48 0.09 0.08 1.83 0.00 0.00 175.22 177.74 1wnj s VAL 116 N -1.09 4.69 -0.03 3.12 1.01 -1.26 -0.26 120.40 126.59 1wnj s VAL 116 Ca 0.19 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1wnj s VAL 116 Cb -0.12 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1wnj s VAL 116 CO 0.10 0.36 -0.14 -0.63 0.00 0.00 0.00 175.10 174.80 1wnj s ILE 117 N 1.20 1.11 0.00 2.22 1.01 -0.08 -4.96 121.20 121.71 1wnj s ILE 117 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1wnj s ILE 117 Cb -0.14 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1wnj s ILE 117 CO 0.04 0.32 0.00 -1.54 0.00 0.00 0.00 174.94 173.77 1wnj n SER 118 N 3.03 0.00 -3.83 3.58 3.41 -1.26 -0.50 113.62 118.05 1wnj n SER 118 Ca -0.17 -0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 57.73 1wnj n SER 118 Cb 0.54 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.40 1wnj n SER 118 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wnj s ASP 119 N 0.00 -0.03 0.35 4.04 2.15 -1.26 -2.84 116.67 119.08 1wnj s ASP 119 Ca 0.00 -0.21 0.02 0.00 0.43 0.00 0.00 52.55 52.80 1wnj s ASP 119 Cb 0.00 0.27 0.64 0.00 -0.30 0.00 0.00 42.92 43.53 1wnj s ASP 119 CO 0.00 -0.47 2.01 -0.09 -0.17 0.00 0.00 175.17 176.45 1wnj h ARG 120 N 3.80 0.82 -0.61 4.34 2.43 -1.98 -1.03 114.38 122.15 1wnj h ARG 120 Ca -0.31 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 1wnj h ARG 120 Cb 1.19 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1wnj h ARG 120 CO 0.44 0.55 0.21 0.87 -1.51 0.00 0.00 179.97 180.53 1wnj h LYS 121 N 0.84 0.90 0.00 0.20 1.57 -1.98 -1.62 116.57 116.49 1wnj h LYS 121 Ca 0.23 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1wnj h LYS 121 Cb -0.09 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1wnj h LYS 121 CO -0.05 0.76 -0.13 1.49 -0.57 0.00 0.00 179.45 180.95 1wnj h GLU 122 N 0.88 0.00 0.00 3.15 4.57 -1.69 -3.14 114.58 118.36 1wnj h GLU 122 Ca 0.20 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 1wnj h GLU 122 Cb 0.22 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1wnj h GLU 122 CO -0.01 0.13 -0.77 1.25 -1.18 0.00 0.00 179.01 178.43 1wnj h LEU 123 N 0.00 0.00 -9.52 1.64 7.12 -0.26 -3.46 115.31 110.83 1wnj h LEU 123 Ca -0.00 0.00 -0.53 0.00 0.13 0.00 0.00 57.88 57.47 1wnj h LEU 123 Cb 0.51 0.00 0.04 0.00 -0.53 0.00 0.00 40.66 40.68 1wnj h LEU 123 CO 0.02 0.34 1.09 -0.62 -0.13 0.00 0.00 178.44 179.13 1wnj n GLU 124 N -3.00 2.75 0.16 1.25 -0.58 -1.00 -4.88 120.64 115.33 1wnj n GLU 124 Ca -0.01 1.00 0.16 0.00 -0.42 0.00 0.00 57.16 57.88 1wnj n GLU 124 Cb 0.69 -2.88 0.75 0.00 -0.57 0.00 0.00 31.44 29.43 1wnj n GLU 124 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wnj h GLU 125 N 8.28 0.00 0.44 3.49 4.39 -1.92 -2.82 114.58 126.45 1wnj h GLU 125 Ca -0.46 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 1wnj h GLU 125 Cb 1.22 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1wnj h GLU 125 CO 0.95 0.00 -0.48 0.22 -1.16 0.00 0.00 179.01 178.53 1wnj h ASP 126 N 0.00 -1.34 1.53 1.42 3.58 -1.96 -0.54 116.42 119.11 1wnj h ASP 126 Ca 0.12 0.11 -0.09 0.00 0.42 0.00 0.00 57.03 57.59 1wnj h ASP 126 Cb 0.53 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1wnj h ASP 126 CO -0.00 -0.62 -0.47 2.19 -2.88 0.00 0.00 179.24 177.46 1wnj h PHE 127 N -0.93 0.00 -0.47 0.28 -0.00 -1.89 -3.11 116.94 110.82 1wnj h PHE 127 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 57.97 57.99 1wnj h PHE 127 Cb 0.82 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.71 1wnj h PHE 127 CO -0.27 0.42 0.12 0.82 -0.00 0.00 0.00 178.31 179.40 1wnj h ILE 128 N 0.00 0.77 -0.30 0.88 2.04 -1.29 0.34 117.51 119.94 1wnj h ILE 128 Ca -0.01 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1wnj h ILE 128 Cb 1.33 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 1wnj h ILE 128 CO 0.05 0.05 -0.07 0.11 0.00 0.00 0.00 178.15 178.30 1wnj h LYS 129 N 0.26 0.01 0.00 2.37 1.57 -1.03 0.22 116.57 119.97 1wnj h LYS 129 Ca 0.23 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1wnj h LYS 129 Cb 0.28 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1wnj h LYS 129 CO -0.28 0.01 -0.55 1.03 -0.57 0.00 0.00 179.45 179.09 1wnj h SER 130 N 0.01 0.00 -0.07 0.86 0.87 -1.27 -0.06 113.55 113.90 1wnj h SER 130 Ca 0.15 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1wnj h SER 130 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1wnj h SER 130 CO -0.30 0.55 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.28 1wnj h GLU 131 N 0.00 0.25 -0.69 2.24 4.57 0.03 0.20 114.58 121.17 1wnj h GLU 131 Ca -0.01 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1wnj h GLU 131 Cb 1.02 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 1wnj h GLU 131 CO 0.07 0.78 0.45 -0.07 -1.18 0.00 0.00 179.01 179.06 1wnj h LEU 132 N -0.25 0.80 0.30 1.64 3.38 -0.52 0.18 115.31 120.85 1wnj h LEU 132 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wnj h LEU 132 Cb 0.79 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wnj h LEU 132 CO 0.04 0.59 -0.14 0.11 0.09 0.00 0.00 178.44 179.13 1wnj h LYS 133 N 0.94 -0.39 -0.51 1.13 1.57 -0.85 -1.11 116.57 117.35 1wnj h LYS 133 Ca 0.25 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.11 1wnj h LYS 133 Cb -0.09 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1wnj h LYS 133 CO -0.05 -0.20 0.25 0.87 -0.57 0.00 0.00 179.45 179.75 1wnj h LYS 134 N -0.49 0.48 0.00 3.15 1.79 -0.20 -1.37 116.57 119.94 1wnj h LYS 134 Ca -0.04 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1wnj h LYS 134 Cb 0.37 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1wnj h LYS 134 CO 0.07 0.32 0.00 0.00 -1.08 0.00 0.00 179.45 178.75 1wnj n ALA 135 N -2.34 2.04 -2.79 3.86 0.00 0.58 -4.72 120.51 117.14 1wnj n ALA 135 Ca 0.05 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 1wnj n ALA 135 Cb 0.14 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 1wnj n ALA 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wnj s GLY 136 N -2.37 1.66 0.00 0.00 0.00 -0.43 -5.03 107.32 101.16 1wnj s GLY 136 Ca 0.21 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1wnj s GLY 136 CO 0.25 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.68 1wnj n GLY 137 N -0.48 -0.06 3.42 0.20 0.00 -1.26 -4.91 105.19 102.10 1wnj n GLY 137 Ca -0.08 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 1wnj n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wnj s ALA 138 N 0.00 -1.32 -0.14 4.61 0.00 -1.26 -5.13 121.76 118.53 1wnj s ALA 138 Ca 0.00 1.57 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 1wnj s ALA 138 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1wnj s ALA 138 CO 0.00 -0.26 1.57 1.21 0.00 0.00 0.00 175.76 178.28 1wnj s ASN 139 N 0.55 6.60 -0.39 0.00 3.84 -1.26 -4.95 114.94 119.33 1wnj s ASN 139 Ca -0.02 1.89 -0.02 0.00 0.21 0.00 0.00 52.86 54.92 1wnj s ASN 139 Cb -0.04 -2.53 0.11 0.00 -0.55 0.00 0.00 41.25 38.23 1wnj s ASN 139 CO -0.03 -1.03 0.17 -0.31 -2.79 0.00 0.00 177.10 173.11 1wnj s TYR 140 N 4.42 3.61 0.79 0.43 2.02 -1.26 -5.09 117.35 122.27 1wnj s TYR 140 Ca 0.69 -2.49 -0.13 0.00 -0.37 0.00 0.00 57.07 54.78 1wnj s TYR 140 Cb -0.28 -3.13 0.07 0.00 -0.40 0.00 0.00 41.96 38.23 1wnj s TYR 140 CO 0.27 -0.96 1.17 0.34 -1.57 0.00 0.00 175.55 174.79 1wnj s ASP 141 N 1.65 3.92 -0.36 2.29 2.15 -1.26 -5.02 116.67 120.03 1wnj s ASP 141 Ca 0.08 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.27 1wnj s ASP 141 Cb -0.22 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 39.95 1wnj s ASP 141 CO -0.05 -2.44 0.17 0.00 -0.17 0.00 0.00 175.17 172.68 1wnj s ALA 142 N -2.33 1.68 -0.07 3.66 0.00 -1.26 -5.00 121.76 118.44 1wnj s ALA 142 Ca 0.70 -2.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 1wnj s ALA 142 Cb -0.25 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.19 1wnj s ALA 142 CO 0.50 -1.88 0.15 -0.65 0.00 0.00 0.00 175.76 173.89 1wnj s GLN 143 N 1.07 0.10 -1.39 0.00 -1.52 -1.26 -4.78 119.66 111.88 1wnj s GLN 143 Ca 0.14 0.40 -0.01 0.00 -1.95 0.00 0.00 55.36 53.93 1wnj s GLN 143 Cb -0.21 -0.18 0.00 0.00 -0.22 0.00 0.00 33.01 32.40 1wnj s GLN 143 CO -0.12 -0.18 0.18 2.41 -0.25 0.00 0.00 175.29 177.33 1wnj n THR 144 N 4.30 -1.11 -1.38 -0.19 -1.04 -1.26 -5.27 114.28 108.34 1wnj n THR 144 Ca -0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1wnj n THR 144 Cb 0.52 -2.71 0.00 0.00 -1.82 0.00 0.00 70.33 66.32 1wnj n THR 144 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81