#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmq s LEU 3 N 0.00 4.40 -0.20 3.22 1.43 -1.26 -0.78 118.68 125.49 1wmq s LEU 3 Ca 0.00 2.47 -0.29 0.00 -1.03 0.00 0.00 54.13 55.28 1wmq s LEU 3 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1wmq s LEU 3 CO 0.00 -0.59 1.03 -2.28 0.23 0.00 0.00 176.35 174.75 1wmq s HIS 4 N 0.17 3.38 0.32 0.29 5.65 0.17 -4.73 115.29 120.55 1wmq s HIS 4 Ca 0.58 1.50 0.10 0.00 0.25 0.00 0.00 55.06 57.49 1wmq s HIS 4 Cb -0.38 -3.25 0.94 0.00 -1.18 0.00 0.00 32.58 28.71 1wmq s HIS 4 CO 0.39 -0.43 1.69 -0.22 -0.65 0.00 0.00 174.74 175.52 1wmq h LYS 5 N 7.37 0.40 -0.11 2.88 3.64 -1.93 0.23 116.57 129.05 1wmq h LYS 5 Ca -0.22 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1wmq h LYS 5 Cb 1.08 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1wmq h LYS 5 CO 0.95 0.26 0.00 0.39 -2.27 0.00 0.00 179.45 178.78 1wmq n GLU 6 N -5.01 1.60 -1.24 1.90 1.02 -1.26 -4.02 120.64 113.63 1wmq n GLU 6 Ca 0.28 -0.90 0.02 0.00 -0.02 0.00 0.00 57.16 56.55 1wmq n GLU 6 Cb 0.84 -1.41 0.11 0.00 -0.02 0.00 0.00 31.44 30.96 1wmq n GLU 6 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wmq n ARG 7 N 0.11 1.10 -2.09 3.49 1.74 0.80 -5.00 116.66 116.81 1wmq n ARG 7 Ca 0.17 -2.85 -0.28 0.00 -0.77 0.00 0.00 57.85 54.12 1wmq n ARG 7 Cb 0.30 -1.01 -0.05 0.00 -1.02 0.00 0.00 32.46 30.68 1wmq n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wmq s ARG 8 N -1.98 2.65 0.30 5.56 0.52 -1.13 -4.19 118.95 120.67 1wmq s ARG 8 Ca 0.37 -0.35 0.06 0.00 -0.52 0.00 0.00 55.73 55.28 1wmq s ARG 8 Cb 0.38 -5.08 0.76 0.00 0.52 0.00 0.00 34.95 31.53 1wmq s ARG 8 CO -0.10 -3.27 1.75 0.97 0.02 0.00 0.00 175.30 174.67 1wmq h ILE 9 N 7.21 0.62 0.41 1.52 2.10 -1.91 -0.13 117.51 127.34 1wmq h ILE 9 Ca 0.10 -0.22 -0.02 0.00 1.08 0.00 0.00 64.86 65.81 1wmq h ILE 9 Cb 1.01 -0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.67 1wmq h ILE 9 CO 1.23 0.12 -0.20 1.23 -1.08 0.00 0.00 178.15 179.45 1wmq h GLY 10 N 0.63 -0.58 0.75 8.18 0.00 -1.98 -1.68 103.07 108.39 1wmq h GLY 10 Ca 0.58 0.22 0.04 0.00 0.00 0.00 0.00 47.33 48.18 1wmq h GLY 10 CO -0.43 -0.21 0.32 -0.09 0.00 0.00 0.00 176.54 176.12 1wmq h ARG 11 N -0.83 0.59 -0.84 4.80 2.43 -1.89 -1.90 114.38 116.74 1wmq h ARG 11 Ca -0.06 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1wmq h ARG 11 Cb 0.55 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1wmq h ARG 11 CO 0.09 0.39 0.45 -0.07 -1.51 0.00 0.00 179.97 179.33 1wmq h LEU 12 N 0.61 1.05 -0.86 3.80 3.38 -1.04 -0.54 115.31 121.72 1wmq h LEU 12 Ca 0.25 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1wmq h LEU 12 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1wmq h LEU 12 CO -0.15 0.85 -0.27 0.77 0.09 0.00 0.00 178.44 179.73 1wmq h SER 13 N 1.17 0.55 -0.23 -0.43 4.64 -0.90 -2.15 113.55 116.18 1wmq h SER 13 Ca 0.29 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 61.28 1wmq h SER 13 Cb 0.04 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1wmq h SER 13 CO -0.05 0.80 -0.40 0.58 -0.87 0.00 0.00 176.83 176.90 1wmq h VAL 14 N 0.47 1.31 -0.73 0.95 2.07 -0.95 -1.91 116.25 117.46 1wmq h VAL 14 Ca 0.06 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 1wmq h VAL 14 Cb 0.71 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1wmq h VAL 14 CO 0.05 0.51 0.35 -0.07 0.02 0.00 0.00 177.57 178.43 1wmq h LEU 15 N 0.39 0.95 -0.41 2.57 3.38 -1.01 -0.26 115.31 120.92 1wmq h LEU 15 Ca 0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1wmq h LEU 15 Cb 0.99 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1wmq h LEU 15 CO 0.09 0.81 0.03 0.25 0.09 0.00 0.00 178.44 179.71 1wmq h LEU 16 N 1.04 0.68 -1.14 1.67 5.85 -1.33 -2.00 115.31 120.08 1wmq h LEU 16 Ca 0.25 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1wmq h LEU 16 Cb 0.11 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1wmq h LEU 16 CO -0.03 0.79 -0.01 0.25 -0.34 0.00 0.00 178.44 179.10 1wmq h LEU 17 N 0.54 0.56 -0.82 2.25 5.85 -0.73 -2.69 115.31 120.26 1wmq h LEU 17 Ca 0.12 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wmq h LEU 17 Cb 0.43 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1wmq h LEU 17 CO 0.01 0.63 -0.05 0.18 -0.34 0.00 0.00 178.44 178.88 1wmq n LEU 18 N -4.26 1.33 0.00 2.25 4.77 -0.17 -5.02 117.00 115.91 1wmq n LEU 18 Ca 0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1wmq n LEU 18 Cb 0.26 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1wmq n LEU 18 CO 0.40 0.23 0.00 0.59 -1.33 0.00 0.00 177.39 177.27 1wmq n ASN 19 N -0.06 0.00 0.00 -1.43 5.03 -0.77 -5.06 115.26 112.97 1wmq n ASN 19 Ca 0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1wmq n ASN 19 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 1wmq n ASN 19 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1wmq n SER 24 N 0.00 0.00 -3.51 6.41 2.88 -1.26 -5.02 113.62 113.12 1wmq n SER 24 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1wmq n SER 24 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1wmq n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1wmq n THR 25 N -1.71 -2.83 0.47 2.46 -1.04 -1.26 -4.68 114.28 105.69 1wmq n THR 25 Ca 0.00 0.01 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 1wmq n THR 25 Cb 0.00 -2.53 0.29 0.00 -1.82 0.00 0.00 70.33 66.27 1wmq n THR 25 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1wmq h GLN 26 N 0.30 0.00 -0.58 -2.82 4.15 -2.00 -1.92 115.11 112.23 1wmq h GLN 26 Ca -0.54 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 58.78 1wmq h GLN 26 Cb 1.19 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 1wmq h GLN 26 CO 0.29 0.00 -0.04 0.28 -1.93 0.00 0.00 178.83 177.43 1wmq h VAL 27 N 0.00 1.27 -0.16 2.39 2.07 -1.99 -1.25 116.25 118.58 1wmq h VAL 27 Ca 0.00 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1wmq h VAL 27 Cb 0.84 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1wmq h VAL 27 CO 0.00 0.43 0.10 -0.33 0.02 0.00 0.00 177.57 177.79 1wmq h GLU 28 N 0.95 0.22 0.16 1.57 3.07 -1.66 0.53 114.58 119.41 1wmq h GLU 28 Ca 0.16 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1wmq h GLU 28 Cb 0.60 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1wmq h GLU 28 CO 0.04 0.19 -0.14 1.49 -1.40 0.00 0.00 179.01 179.19 1wmq h GLU 29 N 0.18 -0.31 -0.40 2.33 4.81 -1.45 0.48 114.58 120.22 1wmq h GLU 29 Ca 0.06 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1wmq h GLU 29 Cb 0.03 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1wmq h GLU 29 CO -0.01 -0.20 0.08 -0.07 -0.73 0.00 0.00 179.01 178.07 1wmq h LEU 30 N -0.32 0.00 -1.01 1.64 3.38 -0.88 -0.80 115.31 117.33 1wmq h LEU 30 Ca 0.00 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1wmq h LEU 30 Cb 0.30 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1wmq h LEU 30 CO -0.03 0.04 0.11 -0.33 0.09 0.00 0.00 178.44 178.31 1wmq h GLU 31 N 0.20 0.82 -0.21 1.13 5.08 0.37 -1.26 114.58 120.71 1wmq h GLU 31 Ca 0.19 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1wmq h GLU 31 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1wmq h GLU 31 CO -0.25 0.75 -0.01 0.00 -1.00 0.00 0.00 179.01 178.50 1wmq h ARG 32 N 0.79 0.31 -0.07 2.33 3.08 1.00 -0.54 114.38 121.27 1wmq h ARG 32 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1wmq h ARG 32 Cb 0.32 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1wmq h ARG 32 CO 0.00 0.34 0.00 -0.25 -1.07 0.00 0.00 179.97 178.99 1wmq n ASP 33 N -4.36 0.58 0.00 7.04 9.92 -0.41 -4.88 116.55 124.44 1wmq n ASP 33 Ca 0.00 -1.61 0.00 0.00 -0.53 0.00 0.00 54.79 52.65 1wmq n ASP 33 Cb 0.19 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 1wmq n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wmq n GLY 34 N 0.87 0.43 3.79 0.44 0.00 -0.21 -5.08 105.19 105.43 1wmq n GLY 34 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1wmq n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wmq s TRP 35 N -2.11 3.37 -0.26 1.61 0.52 -0.57 -4.91 118.94 116.60 1wmq s TRP 35 Ca 0.00 1.67 -0.10 0.00 0.02 0.00 0.00 56.10 57.69 1wmq s TRP 35 Cb 0.00 -2.98 -0.04 0.00 -1.15 0.00 0.00 33.47 29.30 1wmq s TRP 35 CO 0.00 -0.26 0.15 0.15 0.02 0.00 0.00 176.95 177.01 1wmq s LYS 36 N -2.65 3.89 0.10 4.98 3.01 -0.59 -3.91 119.74 124.57 1wmq s LYS 36 Ca 0.58 -0.36 0.10 0.00 -1.01 0.00 0.00 55.97 55.28 1wmq s LYS 36 Cb -0.17 -3.54 -0.04 0.00 -1.01 0.00 0.00 37.83 33.08 1wmq s LYS 36 CO 0.21 -0.13 -0.25 0.08 0.51 0.00 0.00 175.35 175.77 1wmq s VAL 37 N 1.58 2.05 -0.08 3.17 1.01 -1.26 -0.79 120.40 126.08 1wmq s VAL 37 Ca 0.07 -1.60 -0.05 0.00 0.00 0.00 0.00 61.98 60.40 1wmq s VAL 37 Cb -0.15 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1wmq s VAL 37 CO 0.08 0.10 0.19 0.00 0.00 0.00 0.00 175.10 175.47 1wmq s LEU 39 N 0.86 2.06 0.00 0.00 1.43 -1.26 -0.73 118.68 121.04 1wmq s LEU 39 Ca -0.06 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 1wmq s LEU 39 Cb -0.08 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 45.49 1wmq s LEU 39 CO -0.05 0.13 0.44 0.61 0.23 0.00 0.00 176.35 177.71 1wmq n GLY 40 N 2.52 1.52 3.32 -3.19 0.00 -0.28 -5.00 105.19 104.08 1wmq n GLY 40 Ca -0.15 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 1wmq n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wmq s LYS 41 N -2.09 0.47 -0.06 1.61 -2.85 -1.26 -0.63 119.74 114.93 1wmq s LYS 41 Ca 0.10 0.68 -0.15 0.00 -1.00 0.00 0.00 55.97 55.60 1wmq s LYS 41 Cb -0.03 0.15 0.03 0.00 -2.06 0.00 0.00 37.83 35.93 1wmq s LYS 41 CO 0.07 -0.10 0.35 0.54 0.10 0.00 0.00 175.35 176.32 1wmq s VAL 42 N 0.65 0.04 -0.00 1.79 0.11 -0.03 -4.99 120.40 117.96 1wmq s VAL 42 Ca -0.03 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 1wmq s VAL 42 Cb -0.05 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1wmq s VAL 42 CO -0.04 -0.16 -0.01 -0.83 -3.33 0.00 0.00 175.10 170.72 1wmq s GLY 43 N -0.83 0.08 -0.03 6.54 0.00 -1.26 0.25 107.32 112.06 1wmq s GLY 43 Ca -0.09 -0.03 -0.31 0.00 0.00 0.00 0.00 44.72 44.29 1wmq s GLY 43 CO 0.03 0.02 1.31 -0.45 0.00 0.00 0.00 173.10 174.01 1wmq s SER 44 N 0.07 -0.05 0.00 1.64 0.15 -0.25 -4.98 113.70 110.28 1wmq s SER 44 Ca -0.00 -0.12 0.09 0.00 0.70 0.00 0.00 55.95 56.62 1wmq s SER 44 Cb -0.02 0.14 0.25 0.00 -1.71 0.00 0.00 66.02 64.69 1wmq s SER 44 CO -0.00 -0.26 1.20 0.23 1.20 0.00 0.00 173.24 175.61 1wmq n MET 45 N -0.49 2.79 -4.02 5.44 2.81 -1.26 -1.81 117.12 120.57 1wmq n MET 45 Ca -0.09 -1.93 -0.31 0.00 -1.81 0.00 0.00 57.70 53.56 1wmq n MET 45 Cb 0.63 -1.23 -0.16 0.00 -0.71 0.00 0.00 33.22 31.76 1wmq n MET 45 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wmq s ASP 46 N -0.99 3.62 0.39 7.83 1.01 -1.26 -0.06 116.67 127.21 1wmq s ASP 46 Ca 0.19 -0.99 0.07 0.00 0.71 0.00 0.00 52.55 52.54 1wmq s ASP 46 Cb 0.10 -1.33 0.82 0.00 1.01 0.00 0.00 42.92 43.53 1wmq s ASP 46 CO 0.13 -0.14 2.01 0.00 0.21 0.00 0.00 175.17 177.38 1wmq h ALA 47 N 7.93 1.74 0.00 5.23 0.00 -1.92 -1.67 119.26 130.55 1wmq h ALA 47 Ca -0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wmq h ALA 47 Cb 1.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1wmq h ALA 47 CO 0.49 0.20 -0.01 1.12 0.00 0.00 0.00 179.25 181.05 1wmq h HIS 48 N 0.63 0.00 -0.15 0.00 2.07 -1.98 -0.54 115.15 115.18 1wmq h HIS 48 Ca 0.23 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.59 1wmq h HIS 48 Cb 0.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.10 1wmq h HIS 48 CO -0.00 0.01 -0.58 0.87 -3.07 0.00 0.00 177.93 175.16 1wmq h LYS 49 N 0.00 0.49 -0.21 5.12 1.57 -1.73 0.26 116.57 122.06 1wmq h LYS 49 Ca -0.00 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1wmq h LYS 49 Cb 0.01 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1wmq h LYS 49 CO 0.00 0.93 -0.04 0.28 -0.57 0.00 0.00 179.45 180.05 1wmq h VAL 50 N 0.37 1.28 -0.49 0.50 2.07 -1.13 -1.44 116.25 117.41 1wmq h VAL 50 Ca 0.00 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1wmq h VAL 50 Cb 1.12 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1wmq h VAL 50 CO 0.10 0.30 0.32 0.40 0.02 0.00 0.00 177.57 178.72 1wmq h ILE 51 N 0.12 1.11 -0.64 4.57 2.04 -1.08 -2.53 117.51 121.10 1wmq h ILE 51 Ca 0.05 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 1wmq h ILE 51 Cb 0.47 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1wmq h ILE 51 CO 0.02 0.12 0.25 0.00 0.00 0.00 0.00 178.15 178.54 1wmq h ALA 52 N 1.19 0.83 -0.52 1.87 0.00 -0.85 -2.06 119.26 119.72 1wmq h ALA 52 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wmq h ALA 52 Cb -0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1wmq h ALA 52 CO -0.05 0.45 0.31 0.00 0.00 0.00 0.00 179.25 179.97 1wmq h ALA 53 N 1.10 0.67 -0.64 0.00 0.00 -1.09 0.50 119.26 119.79 1wmq h ALA 53 Ca 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1wmq h ALA 53 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1wmq h ALA 53 CO -0.02 0.15 0.15 0.82 0.00 0.00 0.00 179.25 180.35 1wmq h ILE 54 N 0.70 1.26 -0.02 0.00 2.04 -1.31 -0.93 117.51 119.25 1wmq h ILE 54 Ca 0.19 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1wmq h ILE 54 Cb -0.01 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1wmq h ILE 54 CO -0.04 0.36 -0.01 -0.08 0.00 0.00 0.00 178.15 178.39 1wmq h GLU 55 N 0.95 0.04 -0.34 2.37 4.81 -1.08 -1.71 114.58 119.62 1wmq h GLU 55 Ca 0.20 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1wmq h GLU 55 Cb 0.37 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1wmq h GLU 55 CO 0.00 0.41 0.18 1.15 -0.73 0.00 0.00 179.01 180.02 1wmq h THR 56 N -0.34 1.00 -0.68 0.32 2.02 -0.86 -0.29 112.91 114.09 1wmq h THR 56 Ca 0.00 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1wmq h THR 56 Cb 0.40 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1wmq h THR 56 CO 0.00 0.07 0.26 0.00 0.37 0.00 0.00 175.52 176.22 1wmq h ALA 57 N 1.17 1.18 -0.60 6.16 0.00 -1.19 -0.94 119.26 125.04 1wmq h ALA 57 Ca 0.14 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1wmq h ALA 57 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1wmq h ALA 57 CO -0.08 0.59 0.00 0.77 0.00 0.00 0.00 179.25 180.53 1wmq h SER 58 N 0.98 1.03 0.66 0.00 0.02 -0.69 -1.36 113.55 114.20 1wmq h SER 58 Ca 0.23 -0.29 -0.25 0.00 -0.84 0.00 0.00 61.79 60.64 1wmq h SER 58 Cb 0.21 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1wmq h SER 58 CO -0.02 1.08 -1.13 0.11 -1.14 0.00 0.00 176.83 175.74 1wmq h LYS 59 N 0.96 0.23 -0.44 3.45 1.57 -0.82 0.20 116.57 121.72 1wmq h LYS 59 Ca 0.17 -0.35 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 1wmq h LYS 59 Cb 0.55 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1wmq h LYS 59 CO 0.03 1.14 -0.23 0.87 -0.57 0.00 0.00 179.45 180.68 1wmq h LYS 60 N 0.08 0.94 0.00 3.15 1.57 -1.12 -2.75 116.57 118.44 1wmq h LYS 60 Ca -0.10 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1wmq h LYS 60 Cb 1.84 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1wmq h LYS 60 CO 0.18 1.08 0.00 -1.13 -0.57 0.00 0.00 179.45 179.01 1wmq n SER 61 N -4.14 0.00 -0.12 0.86 3.41 -0.52 -4.90 113.62 108.20 1wmq n SER 61 Ca -0.01 -0.12 -0.02 0.00 -0.26 0.00 0.00 58.87 58.46 1wmq n SER 61 Cb 0.46 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1wmq n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wmq n GLY 62 N 0.98 0.52 0.21 5.00 0.00 -1.01 -4.92 105.19 105.97 1wmq n GLY 62 Ca 0.13 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.54 1wmq n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wmq h VAL 63 N 0.00 1.25 -4.08 1.61 2.07 -0.88 -3.44 116.25 112.78 1wmq h VAL 63 Ca -0.03 -1.21 -0.16 0.00 0.82 0.00 0.00 66.70 66.12 1wmq h VAL 63 Cb 0.14 1.54 -0.16 0.00 -1.52 0.00 0.00 31.29 31.29 1wmq h VAL 63 CO 0.05 0.36 -0.69 0.27 0.02 0.00 0.00 177.57 177.57 1wmq s ILE 64 N -4.34 0.33 0.34 4.57 -4.36 -1.15 -4.89 121.20 111.69 1wmq s ILE 64 Ca -0.04 -1.63 -0.29 0.00 -0.26 0.00 0.00 60.65 58.43 1wmq s ILE 64 Cb 0.14 -1.27 -0.11 0.00 1.25 0.00 0.00 42.46 42.48 1wmq s ILE 64 CO 0.74 -0.84 1.46 -1.10 0.24 0.00 0.00 174.94 175.44 1wmq s GLN 65 N -3.30 4.18 0.25 0.37 -0.21 -1.26 -4.52 119.66 115.17 1wmq s GLN 65 Ca 0.03 2.47 0.14 0.00 0.02 0.00 0.00 55.36 58.01 1wmq s GLN 65 Cb 0.03 -3.02 0.01 0.00 1.00 0.00 0.00 33.01 31.04 1wmq s GLN 65 CO -0.07 -0.46 1.40 0.77 -2.12 0.00 0.00 175.29 174.81 1wmq h SER 66 N 3.61 0.00 -3.03 5.90 0.02 -1.96 -3.44 113.55 114.66 1wmq h SER 66 Ca -0.49 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.94 1wmq h SER 66 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1wmq h SER 66 CO 0.68 0.59 -0.22 -1.61 -1.14 0.00 0.00 176.83 175.13 1wmq s GLU 67 N -2.92 3.58 0.02 3.45 0.41 -1.26 -4.99 118.70 116.99 1wmq s GLU 67 Ca 0.03 -0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.43 1wmq s GLU 67 Cb 0.08 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 1wmq s GLU 67 CO 0.76 0.29 0.00 0.41 -0.49 0.00 0.00 175.26 176.23 1wmq n GLY 68 N -0.88 -1.68 0.10 -1.39 0.00 -1.26 -4.85 105.19 95.23 1wmq n GLY 68 Ca -0.03 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 1wmq n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wmq n TYR 69 N -1.95 0.00 -0.10 1.61 9.36 -1.26 -4.62 117.16 120.19 1wmq n TYR 69 Ca -0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 1wmq n TYR 69 Cb 0.02 -0.69 -0.02 0.00 -0.63 0.00 0.00 39.34 38.02 1wmq n TYR 69 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wmq n ARG 70 N -3.05 -0.11 0.14 2.98 0.63 -1.26 -0.00 116.66 115.99 1wmq n ARG 70 Ca -0.32 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1wmq n ARG 70 Cb 0.84 -0.97 0.29 0.00 0.45 0.00 0.00 32.46 33.07 1wmq n ARG 70 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wmq h GLU 71 N 0.00 0.10 -0.22 -0.14 5.08 -1.88 -2.01 114.58 115.51 1wmq h GLU 71 Ca 0.04 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1wmq h GLU 71 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wmq h GLU 71 CO -0.23 0.48 -0.39 0.77 -1.00 0.00 0.00 179.01 178.64 1wmq h SER 72 N 0.09 0.54 -0.44 1.42 0.02 -1.01 -1.71 113.55 112.47 1wmq h SER 72 Ca 0.01 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1wmq h SER 72 Cb 0.74 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1wmq h SER 72 CO 0.06 0.88 0.12 -0.74 -1.14 0.00 0.00 176.83 176.01 1wmq h HIS 73 N 0.43 0.72 -0.51 3.45 -0.00 0.04 -0.09 115.15 119.19 1wmq h HIS 73 Ca 0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 1wmq h HIS 73 Cb 0.88 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.06 1wmq h HIS 73 CO 0.03 0.66 0.25 0.00 -0.00 0.00 0.00 177.93 178.88 1wmq h ALA 74 N 0.97 0.66 -0.62 5.26 0.00 -1.18 -2.57 119.26 121.78 1wmq h ALA 74 Ca 0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wmq h ALA 74 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1wmq h ALA 74 CO -0.00 0.21 0.07 1.25 0.00 0.00 0.00 179.25 180.78 1wmq h LEU 75 N 0.68 1.02 -0.22 0.00 5.85 -1.12 -1.90 115.31 119.62 1wmq h LEU 75 Ca 0.18 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1wmq h LEU 75 Cb 0.11 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1wmq h LEU 75 CO -0.02 1.04 0.07 0.22 -0.34 0.00 0.00 178.44 179.41 1wmq h TYR 76 N 0.96 0.13 -0.06 1.25 3.20 -0.82 0.83 116.97 122.46 1wmq h TYR 76 Ca 0.18 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 1wmq h TYR 76 Cb 0.48 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1wmq h TYR 76 CO 0.04 0.06 -0.43 0.45 -1.64 0.00 0.00 178.16 176.64 1wmq h HIS 77 N 0.17 0.15 -0.35 -3.82 3.86 -1.38 0.09 115.15 113.88 1wmq h HIS 77 Ca 0.10 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 1wmq h HIS 77 Cb 0.07 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1wmq h HIS 77 CO -0.13 0.54 -0.33 0.00 0.86 0.00 0.00 177.93 178.88 1wmq h ALA 78 N 1.46 0.78 -0.60 2.45 0.00 -0.84 -1.48 119.26 121.02 1wmq h ALA 78 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1wmq h ALA 78 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1wmq h ALA 78 CO 0.06 0.65 0.04 1.15 0.00 0.00 0.00 179.25 181.15 1wmq h THR 79 N 0.64 1.26 -0.41 0.00 2.02 -0.27 -1.45 112.91 114.71 1wmq h THR 79 Ca 0.07 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.17 1wmq h THR 79 Cb 0.86 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1wmq h THR 79 CO 0.08 0.40 0.26 0.24 0.37 0.00 0.00 175.52 176.86 1wmq h MET 80 N 0.93 0.51 -0.77 6.66 2.86 -0.73 -0.22 114.93 124.16 1wmq h MET 80 Ca 0.17 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1wmq h MET 80 Cb 0.51 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1wmq h MET 80 CO 0.02 0.34 0.31 0.93 1.06 0.00 0.00 176.91 179.57 1wmq h GLU 81 N 0.52 1.16 -0.46 1.72 5.08 -1.01 -2.09 114.58 119.50 1wmq h GLU 81 Ca 0.15 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1wmq h GLU 81 Cb -0.04 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1wmq h GLU 81 CO -0.05 0.94 0.00 0.00 -1.00 0.00 0.00 179.01 178.90 1wmq h ALA 82 N 1.16 1.15 0.00 3.43 0.00 -0.89 -2.29 119.26 121.82 1wmq h ALA 82 Ca 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wmq h ALA 82 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wmq h ALA 82 CO -0.02 0.55 -0.07 -0.07 0.00 0.00 0.00 179.25 179.64 1wmq h LEU 83 N 0.70 0.00 -0.91 0.00 3.38 -0.37 -2.27 115.31 115.84 1wmq h LEU 83 Ca 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1wmq h LEU 83 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1wmq h LEU 83 CO 0.02 0.07 0.07 0.45 0.09 0.00 0.00 178.44 179.14 1wmq h HIS 84 N 0.00 0.92 -0.12 1.13 3.86 -0.98 0.65 115.15 120.60 1wmq h HIS 84 Ca -0.00 -0.11 -0.12 0.00 -1.16 0.00 0.00 60.37 58.98 1wmq h HIS 84 Cb 0.25 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1wmq h HIS 84 CO 0.00 0.80 -0.45 0.78 0.86 0.00 0.00 177.93 179.92 1wmq h GLY 85 N 0.99 0.32 0.87 2.45 0.00 -1.49 0.21 103.07 106.42 1wmq h GLY 85 Ca 0.17 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 1wmq h GLY 85 CO 0.01 0.30 -0.69 -2.08 0.00 0.00 0.00 176.54 174.07 1wmq h VAL 86 N 0.24 1.40 0.00 4.60 2.07 -1.00 -3.37 116.25 120.19 1wmq h VAL 86 Ca 0.02 -2.12 -0.13 0.00 0.82 0.00 0.00 66.70 65.29 1wmq h VAL 86 Cb 0.89 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 1wmq h VAL 86 CO 0.07 0.63 -1.35 0.35 0.02 0.00 0.00 177.57 177.29 1wmq n THR 87 N -4.15 1.02 -3.77 2.57 -2.24 0.18 -4.83 114.28 103.07 1wmq n THR 87 Ca -0.11 -0.65 -0.31 0.00 -2.27 0.00 0.00 64.05 60.71 1wmq n THR 87 Cb 0.72 -0.62 0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1wmq n THR 87 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wmq n ARG 88 N -2.82 -1.81 0.00 -0.78 1.74 0.75 -3.94 116.66 109.81 1wmq n ARG 88 Ca -0.08 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1wmq n ARG 88 Cb 0.77 -4.17 0.00 0.00 -1.02 0.00 0.00 32.46 28.04 1wmq n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wmq n GLY 89 N -1.77 3.71 2.93 -0.13 0.00 -1.26 -5.04 105.19 103.62 1wmq n GLY 89 Ca -0.15 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 1wmq n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wmq s GLU 90 N 0.00 1.68 -1.59 1.61 0.41 -1.25 -5.02 118.70 114.53 1wmq s GLU 90 Ca 0.00 -0.51 -0.10 0.00 -0.41 0.00 0.00 54.97 53.95 1wmq s GLU 90 Cb 0.00 -1.98 -0.08 0.00 -1.78 0.00 0.00 34.13 30.29 1wmq s GLU 90 CO 0.00 -0.36 2.88 -0.12 -0.49 0.00 0.00 175.26 177.17 1wmq n MET 91 N 4.85 3.58 -4.23 1.61 1.56 -1.26 -4.78 117.12 118.45 1wmq n MET 91 Ca -0.13 -2.21 -0.17 0.00 -0.27 0.00 0.00 57.70 54.92 1wmq n MET 91 Cb 0.48 -2.83 -0.14 0.00 2.15 0.00 0.00 33.22 32.88 1wmq n MET 91 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wmq s LEU 92 N 0.35 2.08 0.00 -0.89 1.43 -1.26 -4.96 118.68 115.43 1wmq s LEU 92 Ca 0.67 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1wmq s LEU 92 Cb 0.17 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.04 1wmq s LEU 92 CO -0.06 0.02 0.00 0.18 0.23 0.00 0.00 176.35 176.72 1wmq n LEU 93 N 2.49 0.00 -0.35 1.79 4.77 -1.26 -4.72 117.00 119.72 1wmq n LEU 93 Ca -0.16 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.91 1wmq n LEU 93 Cb 0.57 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.93 1wmq n LEU 93 CO 0.24 0.00 1.23 1.23 -1.33 0.00 0.00 177.39 178.76 1wmq h GLY 94 N 0.00 1.62 2.00 -0.72 0.00 -0.05 -0.69 103.07 105.23 1wmq h GLY 94 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1wmq h GLY 94 CO 0.00 0.12 0.00 1.48 0.00 0.00 0.00 176.54 178.14 1wmq h SER 95 N 0.92 0.00 -0.38 0.19 4.64 -1.87 0.50 113.55 117.55 1wmq h SER 95 Ca 0.51 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.70 1wmq h SER 95 Cb 0.59 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.60 1wmq h SER 95 CO -0.28 0.00 0.03 0.18 -0.87 0.00 0.00 176.83 175.89 1wmq n LEU 96 N -2.76 4.34 -3.81 5.97 4.77 -0.35 -4.97 117.00 120.18 1wmq n LEU 96 Ca -0.01 -3.38 -0.25 0.00 -0.03 0.00 0.00 56.01 52.34 1wmq n LEU 96 Cb 0.15 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 40.64 1wmq n LEU 96 CO 0.19 0.95 -0.02 -0.11 -1.33 0.00 0.00 177.39 177.07 1wmq n LEU 97 N -0.78 -2.78 -4.03 2.23 7.94 0.17 -5.00 117.00 114.75 1wmq n LEU 97 Ca 0.30 -0.83 -0.08 0.00 -1.11 0.00 0.00 56.01 54.29 1wmq n LEU 97 Cb 1.04 -2.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.32 1wmq n LEU 97 CO 0.22 0.43 -0.35 0.00 -1.11 0.00 0.00 177.39 176.58 1wmq s ARG 98 N -6.29 0.48 0.12 1.96 1.70 -0.68 -4.33 118.95 111.91 1wmq s ARG 98 Ca 0.25 -0.92 0.05 0.00 -0.47 0.00 0.00 55.73 54.64 1wmq s ARG 98 Cb -0.13 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 1wmq s ARG 98 CO 0.83 -0.09 -0.13 -0.08 -1.08 0.00 0.00 175.30 174.76 1wmq s THR 99 N -2.76 1.22 0.02 4.99 -1.32 -0.00 -2.31 115.64 115.47 1wmq s THR 99 Ca -0.04 -1.75 0.05 0.00 -1.21 0.00 0.00 61.69 58.74 1wmq s THR 99 Cb -0.00 -1.53 -0.02 0.00 -1.51 0.00 0.00 72.50 69.44 1wmq s THR 99 CO -0.06 -0.49 -0.14 0.54 -2.21 0.00 0.00 174.62 172.26 1wmq s VAL 100 N -2.36 1.10 -0.25 5.08 0.11 -0.75 -1.52 120.40 121.82 1wmq s VAL 100 Ca 0.09 -0.80 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 1wmq s VAL 100 Cb -0.03 -0.96 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1wmq s VAL 100 CO 0.02 0.15 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.04 1wmq s GLY 101 N -0.75 1.44 0.20 6.54 0.00 -0.16 -1.09 107.32 113.51 1wmq s GLY 101 Ca 0.03 -1.54 0.09 0.00 0.00 0.00 0.00 44.72 43.31 1wmq s GLY 101 CO 0.00 0.81 -0.19 1.08 0.00 0.00 0.00 173.10 174.80 1wmq s LEU 102 N 1.27 2.49 0.02 0.66 1.43 0.14 -1.33 118.68 123.36 1wmq s LEU 102 Ca -0.07 -0.93 0.08 0.00 -1.03 0.00 0.00 54.13 52.19 1wmq s LEU 102 Cb -0.19 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 1wmq s LEU 102 CO -0.06 -0.02 -0.25 -0.60 0.23 0.00 0.00 176.35 175.64 1wmq s ARG 103 N -3.08 1.87 0.05 1.70 3.52 0.10 -0.86 118.95 122.26 1wmq s ARG 103 Ca 0.21 -1.01 -0.03 0.00 -0.13 0.00 0.00 55.73 54.76 1wmq s ARG 103 Cb -0.05 -1.94 -0.02 0.00 -1.56 0.00 0.00 34.95 31.38 1wmq s ARG 103 CO 0.09 0.52 0.04 -0.59 -0.81 0.00 0.00 175.30 174.55 1wmq s PHE 104 N -0.71 0.32 0.00 5.12 -0.12 0.19 -1.66 117.98 121.12 1wmq s PHE 104 Ca 0.11 -0.72 0.01 0.00 -0.05 0.00 0.00 56.93 56.27 1wmq s PHE 104 Cb -0.10 -0.23 -0.00 0.00 -0.63 0.00 0.00 43.02 42.06 1wmq s PHE 104 CO 0.01 -0.37 -0.03 0.00 -0.05 0.00 0.00 175.22 174.78 1wmq s ALA 105 N -3.08 0.23 -0.11 1.99 0.00 -0.59 -1.12 121.76 119.07 1wmq s ALA 105 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1wmq s ALA 105 Cb 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1wmq s ALA 105 CO -0.07 0.04 -0.12 0.08 0.00 0.00 0.00 175.76 175.69 1wmq s VAL 106 N -0.18 1.33 -0.05 0.00 1.01 0.09 -1.05 120.40 121.55 1wmq s VAL 106 Ca -0.00 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1wmq s VAL 106 Cb -0.02 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1wmq s VAL 106 CO -0.00 0.41 -0.22 -0.22 0.00 0.00 0.00 175.10 175.07 1wmq s LEU 107 N 1.29 2.01 -0.06 3.92 2.96 -0.53 -1.07 118.68 127.20 1wmq s LEU 107 Ca -0.01 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1wmq s LEU 107 Cb -0.14 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.33 1wmq s LEU 107 CO -0.05 0.21 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.46 1wmq s ARG 108 N -0.08 1.69 0.00 1.98 3.52 0.03 -1.10 118.95 124.99 1wmq s ARG 108 Ca -0.04 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1wmq s ARG 108 Cb -0.13 -1.41 0.00 0.00 -1.56 0.00 0.00 34.95 31.85 1wmq s ARG 108 CO 0.03 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.99 1wmq n GLY 109 N 3.71 -2.20 3.53 8.12 0.00 -0.68 -1.55 105.19 116.11 1wmq n GLY 109 Ca -0.22 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1wmq n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wmq s ASN 110 N -0.63 6.18 0.00 1.61 3.84 -1.26 -0.54 114.94 124.14 1wmq s ASN 110 Ca 0.00 -0.36 0.28 0.00 0.21 0.00 0.00 52.86 52.99 1wmq s ASN 110 Cb 0.00 -2.20 1.00 0.00 -0.55 0.00 0.00 41.25 39.50 1wmq s ASN 110 CO 0.00 -0.40 1.72 -0.81 -2.79 0.00 0.00 177.10 174.82 1wmq n PRO 111 N 5.42 1.48 -3.41 0.43 -0.04 -1.26 -4.94 135.00 132.67 1wmq n PRO 111 Ca -0.09 -0.85 -0.20 0.00 -0.04 0.00 0.00 63.50 62.32 1wmq n PRO 111 Cb 0.49 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1wmq n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wmq s TYR 112 N -2.11 3.19 0.22 0.54 1.51 -1.26 0.44 117.35 119.88 1wmq s TYR 112 Ca 0.35 -0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.37 1wmq s TYR 112 Cb 0.21 -2.02 0.19 0.00 -0.11 0.00 0.00 41.96 40.24 1wmq s TYR 112 CO 0.37 -0.03 1.52 0.93 -1.11 0.00 0.00 175.55 177.23 1wmq h GLU 113 N 0.81 0.23 -5.98 -0.62 5.08 -1.24 -3.42 114.58 109.44 1wmq h GLU 113 Ca -0.47 -0.17 -0.57 0.00 -1.00 0.00 0.00 59.36 57.15 1wmq h GLU 113 Cb 1.25 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 1wmq h GLU 113 CO 0.55 0.81 0.28 0.45 -1.00 0.00 0.00 179.01 180.10 1wmq s SER 114 N -6.90 6.98 0.32 1.42 0.15 -1.26 -4.92 113.70 109.48 1wmq s SER 114 Ca -0.04 1.19 0.25 0.00 0.70 0.00 0.00 55.95 58.05 1wmq s SER 114 Cb 0.12 -2.44 1.10 0.00 -1.71 0.00 0.00 66.02 63.08 1wmq s SER 114 CO 0.80 -0.30 1.76 -0.08 1.20 0.00 0.00 173.24 176.63 1wmq h GLU 115 N 7.14 0.00 0.00 5.44 4.22 -1.97 -2.54 114.58 126.86 1wmq h GLU 115 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.10 1wmq h GLU 115 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1wmq h GLU 115 CO 0.80 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 177.63 1wmq n ALA 116 N -1.83 1.87 0.62 2.92 0.00 -1.26 -2.70 120.51 120.13 1wmq n ALA 116 Ca 0.01 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1wmq n ALA 116 Cb 0.21 -1.36 0.45 0.00 0.00 0.00 0.00 19.45 18.76 1wmq n ALA 116 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wmq n GLU 117 N -1.84 0.11 0.00 0.00 -0.58 -0.96 -5.00 120.64 112.38 1wmq n GLU 117 Ca 0.04 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1wmq n GLU 117 Cb 0.25 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1wmq n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wmq n GLY 118 N 0.65 -0.23 3.82 0.62 0.00 -1.10 -4.81 105.19 104.16 1wmq n GLY 118 Ca 0.04 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 1wmq n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wmq s ASP 119 N -4.00 6.97 0.20 1.61 1.01 -1.26 -4.11 116.67 117.09 1wmq s ASP 119 Ca 0.00 1.46 0.05 0.00 0.71 0.00 0.00 52.55 54.77 1wmq s ASP 119 Cb 0.00 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1wmq s ASP 119 CO 0.00 -0.13 -0.07 0.26 0.21 0.00 0.00 175.17 175.45 1wmq s TRP 120 N -1.80 1.51 0.01 4.23 0.52 0.30 -1.16 118.94 122.54 1wmq s TRP 120 Ca 0.51 -0.79 0.03 0.00 0.02 0.00 0.00 56.10 55.87 1wmq s TRP 120 Cb -0.13 -0.81 -0.01 0.00 -1.15 0.00 0.00 33.47 31.36 1wmq s TRP 120 CO 0.19 0.09 -0.11 -1.50 0.02 0.00 0.00 176.95 175.64 1wmq s ILE 121 N -3.28 0.85 -0.06 2.03 2.07 0.20 -1.69 121.20 121.31 1wmq s ILE 121 Ca 0.23 -0.62 0.03 0.00 -1.41 0.00 0.00 60.65 58.88 1wmq s ILE 121 Cb 0.03 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.89 1wmq s ILE 121 CO 0.06 0.12 -0.16 0.00 -1.91 0.00 0.00 174.94 173.05 1wmq s ALA 122 N -0.48 1.47 -0.19 1.50 0.00 -0.26 -0.97 121.76 122.82 1wmq s ALA 122 Ca 0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1wmq s ALA 122 Cb -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1wmq s ALA 122 CO 0.00 0.20 -0.14 0.08 0.00 0.00 0.00 175.76 175.90 1wmq s VAL 123 N 0.38 2.61 -0.01 0.00 1.01 -0.11 -1.46 120.40 122.82 1wmq s VAL 123 Ca -0.11 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1wmq s VAL 123 Cb -0.14 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1wmq s VAL 123 CO 0.04 0.49 -0.25 -0.44 0.00 0.00 0.00 175.10 174.94 1wmq s SER 124 N 1.30 2.92 -0.02 3.32 0.01 -0.22 -0.96 113.70 120.04 1wmq s SER 124 Ca 0.04 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 56.87 1wmq s SER 124 Cb -0.14 -0.32 -0.00 0.00 0.21 0.00 0.00 66.02 65.77 1wmq s SER 124 CO -0.08 0.30 -0.12 -0.76 0.41 0.00 0.00 173.24 173.00 1wmq s LEU 125 N -0.63 1.88 -0.11 2.44 1.43 0.12 -1.54 118.68 122.27 1wmq s LEU 125 Ca 0.10 -0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1wmq s LEU 125 Cb -0.10 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 45.51 1wmq s LEU 125 CO -0.01 0.11 0.28 -0.47 0.23 0.00 0.00 176.35 176.49 1wmq s TYR 126 N 0.02 -0.35 -0.60 0.29 5.04 -0.66 -1.47 117.35 119.62 1wmq s TYR 126 Ca -0.01 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.44 1wmq s TYR 126 Cb -0.08 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.33 1wmq s TYR 126 CO 0.00 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 1wmq n GLY 127 N 3.56 -0.83 3.23 8.97 0.00 -0.86 -0.72 105.19 118.54 1wmq n GLY 127 Ca -0.19 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 1wmq n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wmq s THR 128 N -4.00 1.31 0.00 2.61 -4.23 -0.44 -0.59 115.64 110.31 1wmq s THR 128 Ca 0.00 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1wmq s THR 128 Cb 0.00 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 1wmq s THR 128 CO 0.00 -0.34 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.18 1wmq s ILE 129 N -1.85 0.37 0.00 2.99 2.07 -0.16 -0.98 121.20 123.64 1wmq s ILE 129 Ca 0.06 -0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.01 1wmq s ILE 129 Cb -0.07 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.19 1wmq s ILE 129 CO 0.03 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 1wmq n GLY 130 N 2.81 0.63 3.80 1.50 0.00 -0.58 -1.75 105.19 111.60 1wmq n GLY 130 Ca -0.14 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 1wmq n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmq s ALA 131 N -1.00 2.53 -0.99 4.61 0.00 -0.36 -0.82 121.76 125.72 1wmq s ALA 131 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 1wmq s ALA 131 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 1wmq s ALA 131 CO 0.00 -1.40 2.18 -2.30 0.00 0.00 0.00 175.76 174.24 1wmq n PRO 132 N -3.19 2.21 -3.68 0.00 -0.02 -1.26 -4.65 135.00 124.42 1wmq n PRO 132 Ca 0.08 -1.64 -0.09 0.00 -2.02 0.00 0.00 63.50 59.83 1wmq n PRO 132 Cb 0.53 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 1wmq n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wmq s ILE 133 N 3.51 -0.17 0.14 4.25 1.01 -1.26 -5.11 121.20 123.57 1wmq s ILE 133 Ca 0.46 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.88 1wmq s ILE 133 Cb 0.12 -0.72 -0.11 0.00 0.01 0.00 0.00 42.46 41.76 1wmq s ILE 133 CO -0.02 0.03 1.81 1.17 0.00 0.00 0.00 174.94 177.94 1wmq n LYS 134 N 4.52 2.78 0.00 2.79 3.00 -1.26 -2.05 118.16 127.94 1wmq n LYS 134 Ca -0.20 1.01 0.00 0.00 -0.00 0.00 0.00 58.31 59.12 1wmq n LYS 134 Cb 0.55 -2.89 0.00 0.00 0.00 0.00 0.00 35.03 32.68 1wmq n LYS 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wmq n GLY 135 N 4.17 2.96 2.98 3.14 0.00 -1.26 -4.95 105.19 112.23 1wmq n GLY 135 Ca 0.18 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1wmq n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wmq n LEU 136 N 0.00 6.31 -3.70 0.99 4.77 -0.87 -4.83 117.00 119.67 1wmq n LEU 136 Ca 0.00 -4.18 -0.09 0.00 -0.03 0.00 0.00 56.01 51.71 1wmq n LEU 136 Cb 0.00 -1.65 -0.02 0.00 -2.33 0.00 0.00 43.42 39.42 1wmq n LEU 136 CO 0.00 0.91 0.42 -1.83 -1.33 0.00 0.00 177.39 175.56 1wmq s GLU 137 N 2.92 1.57 0.20 3.23 -1.05 -1.26 -1.22 118.70 123.08 1wmq s GLU 137 Ca 0.47 -0.80 -0.04 0.00 -0.15 0.00 0.00 54.97 54.44 1wmq s GLU 137 Cb 0.10 0.59 -0.03 0.00 -0.44 0.00 0.00 34.13 34.35 1wmq s GLU 137 CO -0.03 -0.70 0.21 -3.38 0.95 0.00 0.00 175.26 172.31 1wmq s HIS 138 N -3.86 0.88 0.72 4.83 -3.43 -0.72 -4.96 115.29 108.75 1wmq s HIS 138 Ca 0.08 -1.16 -0.14 0.00 -0.80 0.00 0.00 55.06 53.04 1wmq s HIS 138 Cb -0.04 -0.34 0.03 0.00 -1.43 0.00 0.00 32.58 30.81 1wmq s HIS 138 CO -0.01 -0.71 1.14 -1.21 -2.00 0.00 0.00 174.74 171.95 1wmq s GLU 139 N -4.10 2.37 0.01 -0.38 2.02 -1.26 -0.99 118.70 116.37 1wmq s GLU 139 Ca 0.32 1.49 -0.06 0.00 0.02 0.00 0.00 54.97 56.74 1wmq s GLU 139 Cb 0.05 -1.89 -0.00 0.00 0.10 0.00 0.00 34.13 32.39 1wmq s GLU 139 CO 0.09 -1.60 0.11 -0.08 0.02 0.00 0.00 175.26 173.80 1wmq s THR 140 N -2.32 0.10 0.01 3.63 -1.32 0.25 -4.69 115.64 111.29 1wmq s THR 140 Ca 0.69 -0.80 -0.07 0.00 -1.21 0.00 0.00 61.69 60.29 1wmq s THR 140 Cb -0.23 -0.50 -0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1wmq s THR 140 CO 0.46 -0.44 0.14 0.12 -2.21 0.00 0.00 174.62 172.69 1wmq s PHE 141 N -1.65 0.07 -0.28 9.09 5.36 -1.26 -2.03 117.98 127.28 1wmq s PHE 141 Ca -0.13 -0.20 -0.21 0.00 -0.96 0.00 0.00 56.93 55.43 1wmq s PHE 141 Cb -0.07 -0.06 0.10 0.00 -0.34 0.00 0.00 43.02 42.66 1wmq s PHE 141 CO 0.00 -0.31 0.86 0.20 -1.46 0.00 0.00 175.22 174.51 1wmq s GLY 142 N -1.57 -0.33 -0.04 13.12 0.00 -0.54 -2.28 107.32 115.68 1wmq s GLY 142 Ca -0.12 2.56 0.01 0.00 0.00 0.00 0.00 44.72 47.16 1wmq s GLY 142 CO 0.00 2.11 -0.03 0.14 0.00 0.00 0.00 173.10 175.32 1wmq s VAL 143 N 0.83 0.40 -0.03 1.40 1.01 -1.26 0.14 120.40 122.89 1wmq s VAL 143 Ca -0.03 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1wmq s VAL 143 Cb -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1wmq s VAL 143 CO -0.09 0.20 -0.19 -0.83 0.00 0.00 0.00 175.10 174.18 1wmq s GLY 144 N 1.00 0.97 -0.02 4.51 0.00 -0.14 -4.07 107.32 109.57 1wmq s GLY 144 Ca -0.10 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.87 1wmq s GLY 144 CO -0.01 -0.54 -0.15 -0.42 0.00 0.00 0.00 173.10 171.99 1wmq s ILE 145 N -0.21 1.19 0.12 0.90 1.01 -1.26 -0.93 121.20 122.01 1wmq s ILE 145 Ca 0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 1wmq s ILE 145 Cb -0.10 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1wmq s ILE 145 CO 0.01 0.34 0.31 0.21 0.00 0.00 0.00 174.94 175.81 1wmq s ASN 146 N -0.14 -0.07 0.33 3.58 2.47 -0.14 -4.87 114.94 116.11 1wmq s ASN 146 Ca 0.01 -0.51 -0.14 0.00 0.42 0.00 0.00 52.86 52.64 1wmq s ASN 146 Cb -0.08 0.42 -0.08 0.00 -1.45 0.00 0.00 41.25 40.06 1wmq s ASN 146 CO 0.00 -0.82 0.73 -1.38 -3.72 0.00 0.00 177.10 171.92 1wmq s HIS 147 N -3.85 3.39 0.00 0.43 -3.43 -1.26 0.58 115.29 111.16 1wmq s HIS 147 Ca 0.05 1.17 0.00 0.00 -0.80 0.00 0.00 55.06 55.48 1wmq s HIS 147 Cb 0.03 -2.51 0.00 0.00 -1.43 0.00 0.00 32.58 28.68 1wmq s HIS 147 CO -0.10 0.07 0.00 1.51 -2.00 0.00 0.00 174.74 174.21