#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9wga n GLY 4 N -0.75 -0.14 0.28 0.00 0.00 -0.69 -3.44 105.19 100.45 9wga n GLY 4 Ca -0.05 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 44.99 9wga n GLY 4 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 9wga h GLU 5 N 0.00 0.64 0.00 1.61 4.81 -1.94 1.22 114.58 120.92 9wga h GLU 5 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 9wga h GLU 5 Cb 0.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 9wga h GLU 5 CO 0.00 0.42 0.00 1.04 -0.73 0.00 0.00 179.01 179.74 9wga n GLN 6 N -4.83 0.78 -1.02 1.92 3.00 -1.23 -3.24 117.38 112.76 9wga n GLN 6 Ca 0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.14 9wga n GLN 6 Cb 0.28 -1.40 0.02 0.00 0.00 0.00 0.00 30.24 29.15 9wga n GLN 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 9wga n GLY 7 N 0.50 1.10 2.73 1.08 0.00 -0.35 -4.61 105.19 105.64 9wga n GLY 7 Ca 0.15 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 9wga n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 9wga n SER 8 N 0.17 -4.77 -1.97 1.61 7.64 -0.94 -2.70 113.62 112.66 9wga n SER 8 Ca 0.04 -0.27 -0.17 0.00 1.01 0.00 0.00 58.87 59.48 9wga n SER 8 Cb 0.94 -3.51 -0.04 0.00 -1.01 0.00 0.00 64.21 60.59 9wga n SER 8 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 9wga n ASN 9 N -1.29 -4.83 -4.74 6.43 5.03 0.40 -4.92 115.26 111.34 9wga n ASN 9 Ca -0.04 0.25 -0.32 0.00 0.87 0.00 0.00 54.58 55.34 9wga n ASN 9 Cb 0.56 -4.19 0.10 0.00 -1.02 0.00 0.00 39.78 35.24 9wga n ASN 9 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 9wga s MET 10 N -4.27 2.00 0.02 3.52 1.75 -1.10 -4.61 119.30 116.62 9wga s MET 10 Ca 0.00 1.37 0.07 0.00 -1.25 0.00 0.00 55.69 55.88 9wga s MET 10 Cb 0.00 -1.85 -0.02 0.00 2.84 0.00 0.00 34.83 35.79 9wga s MET 10 CO 0.00 -1.86 -0.22 -1.21 -0.65 0.00 0.00 175.02 171.07 9wga s GLU 11 N -4.60 1.65 0.39 4.11 2.02 -1.26 -1.71 118.70 119.30 9wga s GLU 11 Ca 0.65 -0.90 -0.25 0.00 0.02 0.00 0.00 54.97 54.49 9wga s GLU 11 Cb -0.20 -1.70 -0.09 0.00 0.10 0.00 0.00 34.13 32.24 9wga s GLU 11 CO 0.53 0.45 1.10 0.00 0.02 0.00 0.00 175.26 177.36 9wga s PRO 13 N -2.34 1.75 -1.80 0.00 0.02 -1.26 -4.34 135.00 127.02 9wga s PRO 13 Ca 0.57 0.76 -0.21 0.00 0.02 0.00 0.00 61.00 62.13 9wga s PRO 13 Cb -0.26 -1.87 0.20 0.00 0.02 0.00 0.00 34.50 32.59 9wga s PRO 13 CO 0.33 -1.88 0.68 0.09 -0.33 0.00 0.00 177.00 175.89 9wga n ASN 14 N -3.63 -2.50 -0.67 2.53 5.03 -1.26 -1.48 115.26 113.28 9wga n ASN 14 Ca 0.07 -1.14 -0.09 0.00 0.87 0.00 0.00 54.58 54.29 9wga n ASN 14 Cb 0.56 -2.13 -0.04 0.00 -1.02 0.00 0.00 39.78 37.15 9wga n ASN 14 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 9wga n ASN 15 N -2.55 -4.87 -4.77 6.41 3.02 -1.26 -4.99 115.26 106.25 9wga n ASN 15 Ca 0.10 0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 54.47 9wga n ASN 15 Cb 0.47 -3.14 -0.01 0.00 -0.61 0.00 0.00 39.78 36.49 9wga n ASN 15 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 9wga s LEU 16 N -2.00 4.27 0.35 3.41 1.43 -0.55 -1.14 118.68 124.45 9wga s LEU 16 Ca 0.00 2.63 -0.26 0.00 -1.03 0.00 0.00 54.13 55.47 9wga s LEU 16 Cb 0.00 -3.85 -0.09 0.00 0.03 0.00 0.00 46.19 42.28 9wga s LEU 16 CO 0.00 -0.75 1.01 0.00 0.23 0.00 0.00 176.35 176.84 9wga s SER 19 N 1.66 2.12 0.41 0.00 1.04 0.31 -1.18 113.70 118.07 9wga s SER 19 Ca 0.11 0.76 0.28 0.00 0.48 0.00 0.00 55.95 57.58 9wga s SER 19 Cb -0.16 -1.13 1.46 0.00 0.10 0.00 0.00 66.02 66.29 9wga s SER 19 CO 0.10 -3.40 1.85 0.06 0.98 0.00 0.00 173.24 172.84 9wga h GLN 20 N -2.08 0.00 0.00 4.02 3.07 -1.76 -2.23 115.11 116.13 9wga h GLN 20 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 9wga h GLN 20 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 9wga h GLN 20 CO 0.46 0.00 -0.77 0.66 0.09 0.00 0.00 178.83 179.27 9wga n TYR 21 N -2.49 0.35 0.00 0.06 0.53 -1.26 -4.96 117.16 109.38 9wga n TYR 21 Ca -0.01 0.10 0.00 0.00 -1.02 0.00 0.00 57.90 56.97 9wga n TYR 21 Cb 0.08 -0.50 0.00 0.00 -1.03 0.00 0.00 39.34 37.89 9wga n TYR 21 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 9wga n GLY 22 N 1.38 1.41 3.35 2.72 0.00 -0.84 -4.90 105.19 108.30 9wga n GLY 22 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 9wga n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 9wga s TYR 23 N -2.00 1.99 -0.07 1.61 2.02 -1.26 -1.30 117.35 118.34 9wga s TYR 23 Ca 0.00 -0.42 -0.13 0.00 -0.37 0.00 0.00 57.07 56.15 9wga s TYR 23 Cb 0.00 -1.02 -0.05 0.00 -0.40 0.00 0.00 41.96 40.49 9wga s TYR 23 CO 0.00 0.35 0.33 0.00 -1.57 0.00 0.00 175.55 174.66 9wga n GLY 25 N 2.34 0.69 3.22 0.00 0.00 -0.86 -5.00 105.19 105.58 9wga n GLY 25 Ca -0.14 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 9wga n GLY 25 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 9wga s MET 26 N 0.75 0.38 0.00 1.61 1.75 -1.26 -1.75 119.30 120.77 9wga s MET 26 Ca 0.00 0.58 0.00 0.00 -1.25 0.00 0.00 55.69 55.02 9wga s MET 26 Cb 0.00 0.09 0.00 0.00 2.84 0.00 0.00 34.83 37.76 9wga s MET 26 CO 0.00 -0.10 0.00 0.41 -0.65 0.00 0.00 175.02 174.68 9wga n GLY 27 N 3.47 0.93 0.33 2.11 0.00 -1.26 -4.76 105.19 106.01 9wga n GLY 27 Ca -0.18 -2.15 0.04 0.00 0.00 0.00 0.00 46.02 43.74 9wga n GLY 27 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 9wga h GLY 28 N 0.00 0.74 1.60 -0.02 0.00 -1.99 0.15 103.07 103.55 9wga h GLY 28 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 9wga h GLY 28 CO 0.00 0.25 0.01 -0.55 0.00 0.00 0.00 176.54 176.25 9wga h ASP 29 N 0.68 0.47 0.00 0.19 3.45 -1.96 -1.92 116.42 117.33 9wga h ASP 29 Ca 0.21 -0.08 -0.35 0.00 0.43 0.00 0.00 57.03 57.24 9wga h ASP 29 Cb 0.01 -0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 38.60 9wga h ASP 29 CO -0.05 0.53 -2.25 -1.22 -1.57 0.00 0.00 179.24 174.68 9wga n TYR 30 N -4.29 0.00 0.57 4.55 4.02 -0.88 -4.65 117.16 116.48 9wga n TYR 30 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 9wga n TYR 30 Cb 0.23 -0.83 0.16 0.00 -0.02 0.00 0.00 39.34 38.88 9wga n TYR 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 9wga n GLY 32 N 1.34 -0.41 3.61 0.00 0.00 -0.72 -1.09 105.19 107.92 9wga n GLY 32 Ca 0.03 -1.39 -0.53 0.00 0.00 0.00 0.00 46.02 44.13 9wga n GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 9wga n LYS 33 N 0.00 1.19 -0.71 1.61 -0.00 -1.26 -1.50 118.16 117.49 9wga n LYS 33 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 9wga n LYS 33 Cb 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 35.03 32.94 9wga n LYS 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 9wga n GLY 34 N 2.84 0.79 3.67 2.58 0.00 -1.26 -4.67 105.19 109.13 9wga n GLY 34 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 9wga n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga n GLN 36 N 1.38 1.09 -3.81 0.00 6.02 -0.32 -4.93 117.38 116.82 9wga n GLN 36 Ca 0.09 -0.06 -0.01 0.00 -0.01 0.00 0.00 57.00 57.01 9wga n GLN 36 Cb 0.33 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.19 9wga n GLN 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 9wga s ASN 37 N -4.55 -0.05 0.00 1.08 6.03 -1.26 -4.97 114.94 111.23 9wga s ASN 37 Ca -0.07 -0.38 0.00 0.00 -1.03 0.00 0.00 52.86 51.38 9wga s ASN 37 Cb 0.07 0.33 0.00 0.00 -3.03 0.00 0.00 41.25 38.62 9wga s ASN 37 CO 0.66 -0.64 0.00 0.61 -2.03 0.00 0.00 177.10 175.70 9wga n GLY 38 N -0.64 -1.47 2.18 0.45 0.00 -1.26 -1.92 105.19 102.54 9wga n GLY 38 Ca -0.04 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 9wga n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga n ALA 39 N 1.76 4.38 -1.76 4.61 0.00 -0.29 -4.89 120.51 124.32 9wga n ALA 39 Ca 0.00 -1.15 -0.39 0.00 0.00 0.00 0.00 53.44 51.90 9wga n ALA 39 Cb 0.00 -2.29 0.03 0.00 0.00 0.00 0.00 19.45 17.19 9wga n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 9wga h TRP 41 N 1.84 0.20 -3.51 0.00 4.06 -1.42 -3.32 115.95 113.81 9wga h TRP 41 Ca -0.51 -0.01 -0.68 0.00 2.06 0.00 0.00 58.89 59.75 9wga h TRP 41 Cb 1.29 -0.06 -0.18 0.00 -1.00 0.00 0.00 29.16 29.21 9wga h TRP 41 CO 0.47 0.25 -0.06 0.99 -3.56 0.00 0.00 178.44 176.54 9wga s THR 42 N -5.66 4.97 0.69 1.49 2.01 -1.26 -5.06 115.64 112.82 9wga s THR 42 Ca -0.14 -0.24 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 9wga s THR 42 Cb 0.07 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.46 9wga s THR 42 CO 0.69 -0.54 1.14 -0.44 -0.69 0.00 0.00 174.62 174.78 9wga s SER 43 N 2.02 4.73 0.60 3.53 0.01 -1.25 -5.01 113.70 118.34 9wga s SER 43 Ca 0.16 2.11 -0.13 0.00 1.31 0.00 0.00 55.95 59.40 9wga s SER 43 Cb -0.17 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 9wga s SER 43 CO 0.15 -1.89 1.03 -0.54 0.41 0.00 0.00 173.24 172.40 9wga s LYS 44 N -4.08 3.49 0.48 12.44 1.02 -1.26 -4.77 119.74 127.06 9wga s LYS 44 Ca 0.69 0.94 -0.10 0.00 0.02 0.00 0.00 55.97 57.52 9wga s LYS 44 Cb -0.23 -2.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.96 9wga s LYS 44 CO 0.44 -0.65 0.85 1.03 -0.92 0.00 0.00 175.35 176.09 9wga s ARG 45 N -4.64 3.71 0.27 1.68 1.81 -1.26 -0.70 118.95 119.82 9wga s ARG 45 Ca 0.58 0.51 -0.14 0.00 -1.72 0.00 0.00 55.73 54.96 9wga s ARG 45 Cb -0.12 -2.30 0.05 0.00 -0.45 0.00 0.00 34.95 32.13 9wga s ARG 45 CO 0.45 -0.20 0.74 0.00 -0.68 0.00 0.00 175.30 175.60 9wga n GLY 47 N -0.51 0.87 0.32 0.00 0.00 0.23 -1.62 105.19 104.49 9wga n GLY 47 Ca -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.34 9wga n GLY 47 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 9wga h SER 48 N 2.69 -0.88 0.89 1.61 0.02 -1.92 0.76 113.55 116.72 9wga h SER 48 Ca 0.00 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 9wga h SER 48 Cb 0.00 0.55 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 9wga h SER 48 CO 0.00 -0.28 -0.04 0.06 -1.14 0.00 0.00 176.83 175.43 9wga h GLN 49 N -0.02 0.00 -1.36 3.45 -0.00 -1.92 -3.16 115.11 112.10 9wga h GLN 49 Ca 0.38 0.00 -0.58 0.00 -0.00 0.00 0.00 58.65 58.45 9wga h GLN 49 Cb 0.60 0.00 -0.42 0.00 -0.00 0.00 0.00 27.48 27.66 9wga h GLN 49 CO -0.86 0.04 -0.75 0.00 -0.00 0.00 0.00 178.83 177.26 9wga n ALA 50 N -2.12 5.06 -4.17 0.06 0.00 0.25 -4.90 120.51 114.69 9wga n ALA 50 Ca 0.00 -4.21 -0.30 0.00 0.00 0.00 0.00 53.44 48.93 9wga n ALA 50 Cb 0.30 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 9wga n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9wga n GLY 51 N -0.53 -0.21 2.39 0.00 0.00 -0.77 -1.57 105.19 104.50 9wga n GLY 51 Ca 0.40 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.58 9wga n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9wga n GLY 52 N -2.12 0.58 3.76 -0.02 0.00 -0.32 -4.97 105.19 102.10 9wga n GLY 52 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 9wga n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga s ALA 53 N -2.43 3.54 0.10 4.61 0.00 -0.61 -4.58 121.76 122.39 9wga s ALA 53 Ca 0.00 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 9wga s ALA 53 Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 9wga s ALA 53 CO 0.00 -0.68 0.48 0.99 0.00 0.00 0.00 175.76 176.55 9wga s THR 54 N -0.70 4.96 0.20 0.00 2.01 -1.26 0.78 115.64 121.63 9wga s THR 54 Ca 0.53 0.73 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 9wga s THR 54 Cb -0.40 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.31 9wga s THR 54 CO 0.49 0.33 0.95 0.00 -0.69 0.00 0.00 174.62 175.71 9wga s PRO 56 N -0.84 2.12 -1.07 0.00 0.04 -1.26 -3.79 135.00 130.20 9wga s PRO 56 Ca 0.43 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.06 9wga s PRO 56 Cb -0.25 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.36 9wga s PRO 56 CO 0.32 -1.59 0.00 0.09 0.04 0.00 0.00 177.00 175.86 9wga n ASN 57 N -3.40 -4.78 -2.80 6.66 4.13 -1.26 -3.21 115.26 110.61 9wga n ASN 57 Ca 0.07 0.25 -0.21 0.00 1.68 0.00 0.00 54.58 56.36 9wga n ASN 57 Cb 0.57 -3.16 0.03 0.00 -1.54 0.00 0.00 39.78 35.67 9wga n ASN 57 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 9wga n ASN 58 N -0.37 -5.98 -4.81 6.41 3.02 -1.25 -4.98 115.26 107.30 9wga n ASN 58 Ca -0.10 -0.22 -0.30 0.00 -0.03 0.00 0.00 54.58 53.93 9wga n ASN 58 Cb 0.42 -4.84 0.08 0.00 -0.61 0.00 0.00 39.78 34.84 9wga n ASN 58 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 9wga s HIS 59 N -3.13 2.89 0.13 3.10 3.76 -1.20 -4.37 115.29 116.47 9wga s HIS 59 Ca 0.23 1.17 -0.09 0.00 -0.15 0.00 0.00 55.06 56.22 9wga s HIS 59 Cb -0.10 -3.10 -0.06 0.00 1.11 0.00 0.00 32.58 30.43 9wga s HIS 59 CO 0.29 -1.68 0.44 0.00 -0.85 0.00 0.00 174.74 172.93 9wga s SER 62 N 1.28 3.83 0.63 0.00 1.04 0.21 -1.61 113.70 119.08 9wga s SER 62 Ca 0.17 1.19 0.38 0.00 0.48 0.00 0.00 55.95 58.18 9wga s SER 62 Cb -0.15 -1.85 2.17 0.00 0.10 0.00 0.00 66.02 66.28 9wga s SER 62 CO 0.08 -2.37 2.32 0.06 0.98 0.00 0.00 173.24 174.31 9wga h GLN 63 N -1.37 0.00 -0.60 4.02 3.07 -1.80 -0.50 115.11 117.93 9wga h GLN 63 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 9wga h GLN 63 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 9wga h GLN 63 CO 0.60 0.00 0.00 0.66 0.09 0.00 0.00 178.83 180.18 9wga n TYR 64 N -3.40 1.05 -2.89 0.06 4.02 -1.26 -4.97 117.16 109.76 9wga n TYR 64 Ca -0.03 -0.43 -0.11 0.00 -0.01 0.00 0.00 57.90 57.32 9wga n TYR 64 Cb 0.08 -0.16 0.06 0.00 -0.02 0.00 0.00 39.34 39.30 9wga n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 9wga n GLY 65 N 1.02 -0.06 2.96 2.72 0.00 -0.20 -4.94 105.19 106.70 9wga n GLY 65 Ca 0.19 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 9wga n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 9wga s HIS 66 N -3.22 0.54 0.15 1.61 3.76 -1.26 -2.13 115.29 114.74 9wga s HIS 66 Ca 0.00 -0.10 -0.22 0.00 -0.15 0.00 0.00 55.06 54.59 9wga s HIS 66 Cb -0.00 -0.37 -0.08 0.00 1.11 0.00 0.00 32.58 33.24 9wga s HIS 66 CO 0.45 -0.02 0.69 0.00 -0.85 0.00 0.00 174.74 175.01 9wga n GLY 68 N 1.45 -1.29 3.19 0.00 0.00 0.33 -4.58 105.19 104.28 9wga n GLY 68 Ca -0.07 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 9wga n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 9wga s PHE 69 N -2.98 1.07 0.00 1.61 0.08 -1.26 0.16 117.98 116.66 9wga s PHE 69 Ca 0.00 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.31 9wga s PHE 69 Cb 0.00 -0.58 0.00 0.00 -0.57 0.00 0.00 43.02 41.87 9wga s PHE 69 CO 0.00 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 9wga n GLY 70 N 0.25 1.01 0.36 4.36 0.00 -1.26 -4.60 105.19 105.31 9wga n GLY 70 Ca -0.14 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 43.94 9wga n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga n ALA 71 N 1.57 -0.02 -0.10 4.61 0.00 -1.26 0.47 120.51 125.78 9wga n ALA 71 Ca 0.00 0.98 0.24 0.00 0.00 0.00 0.00 53.44 54.66 9wga n ALA 71 Cb 0.00 -0.48 0.69 0.00 0.00 0.00 0.00 19.45 19.66 9wga n ALA 71 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 9wga h GLU 72 N 0.00 0.03 0.00 0.00 3.07 -1.96 0.42 114.58 116.14 9wga h GLU 72 Ca 0.37 -0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.02 9wga h GLU 72 Cb 0.61 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 9wga h GLU 72 CO -0.96 0.02 -1.65 0.66 -1.40 0.00 0.00 179.01 175.68 9wga n TYR 73 N -4.33 0.08 0.80 4.33 4.01 0.18 -4.55 117.16 117.67 9wga n TYR 73 Ca 0.14 0.03 0.12 0.00 -0.16 0.00 0.00 57.90 58.04 9wga n TYR 73 Cb 0.78 -0.75 0.30 0.00 -0.31 0.00 0.00 39.34 39.36 9wga n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 9wga n GLY 75 N 1.42 -0.49 3.73 0.00 0.00 0.15 -0.22 105.19 109.78 9wga n GLY 75 Ca 0.05 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 9wga n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga s ALA 76 N -3.30 3.78 0.00 4.61 0.00 -1.26 -2.29 121.76 123.30 9wga s ALA 76 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 9wga s ALA 76 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 9wga s ALA 76 CO 0.00 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.33 9wga n GLY 77 N 3.21 0.78 3.68 0.00 0.00 -1.26 -4.71 105.19 106.89 9wga n GLY 77 Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.65 9wga n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga n GLN 79 N 5.54 0.79 -3.61 0.00 10.64 -0.63 -4.95 117.38 125.15 9wga n GLN 79 Ca 0.22 -0.60 -0.03 0.00 -1.83 0.00 0.00 57.00 54.76 9wga n GLN 79 Cb 0.27 -1.49 -0.01 0.00 -0.86 0.00 0.00 30.24 28.14 9wga n GLN 79 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 9wga s GLY 80 N -2.62 -0.35 0.00 2.61 0.00 -1.24 -4.92 107.32 100.80 9wga s GLY 80 Ca 0.18 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.83 9wga s GLY 80 CO 0.62 0.27 0.00 0.61 0.00 0.00 0.00 173.10 174.60 9wga n GLY 81 N -0.31 -2.40 2.71 0.20 0.00 -1.26 0.04 105.19 104.17 9wga n GLY 81 Ca -0.05 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 9wga n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 9wga n PRO 82 N -0.19 2.71 -1.81 1.61 -0.04 -1.26 -4.93 135.00 131.10 9wga n PRO 82 Ca 0.00 -2.31 -0.38 0.00 -0.04 0.00 0.00 63.50 60.77 9wga n PRO 82 Cb 0.00 -3.07 0.04 0.00 -0.04 0.00 0.00 33.50 30.43 9wga n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 9wga h ARG 84 N 1.60 0.81 -6.85 0.00 3.08 -0.85 -3.41 114.38 108.75 9wga h ARG 84 Ca -0.51 -0.15 -0.50 0.00 0.07 0.00 0.00 59.98 58.89 9wga h ARG 84 Cb 1.29 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 31.23 9wga h ARG 84 CO 0.58 0.71 0.45 0.00 -1.07 0.00 0.00 179.97 180.65 9wga s ALA 85 N -5.24 3.32 0.39 0.04 0.00 -1.26 -4.99 121.76 114.01 9wga s ALA 85 Ca -0.10 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.43 9wga s ALA 85 Cb 0.16 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 9wga s ALA 85 CO 0.79 -0.17 1.44 -0.51 0.00 0.00 0.00 175.76 177.32 9wga s ASP 86 N -1.07 6.29 -0.20 0.00 1.01 -1.26 -4.99 116.67 116.45 9wga s ASP 86 Ca 0.48 2.96 -0.08 0.00 0.71 0.00 0.00 52.55 56.62 9wga s ASP 86 Cb -0.29 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 40.94 9wga s ASP 86 CO 0.37 -0.90 0.07 -0.63 0.21 0.00 0.00 175.17 174.30 9wga s ILE 87 N -1.15 4.75 0.28 0.77 -1.09 -1.26 -5.01 121.20 118.50 9wga s ILE 87 Ca 0.54 -0.04 -0.02 0.00 -2.23 0.00 0.00 60.65 58.90 9wga s ILE 87 Cb -0.45 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 9wga s ILE 87 CO 0.60 0.43 0.50 -1.59 -1.23 0.00 0.00 174.94 173.65 9wga s LYS 88 N 0.66 3.56 -0.02 2.79 -2.85 -1.26 0.13 119.74 122.76 9wga s LYS 88 Ca 0.04 -0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 54.52 9wga s LYS 88 Cb -0.13 -2.71 0.12 0.00 -2.06 0.00 0.00 37.83 33.05 9wga s LYS 88 CO 0.02 0.25 1.29 0.00 0.10 0.00 0.00 175.35 177.00 9wga n GLY 90 N -0.49 -1.56 0.00 0.00 0.00 0.13 -3.54 105.19 99.73 9wga n GLY 90 Ca -0.09 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.57 9wga n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 9wga n SER 91 N 0.05 0.00 -0.91 1.61 7.64 -1.26 0.12 113.62 120.87 9wga n SER 91 Ca 0.00 0.08 0.12 0.00 1.01 0.00 0.00 58.87 60.08 9wga n SER 91 Cb 0.00 -0.12 0.25 0.00 -1.01 0.00 0.00 64.21 63.33 9wga n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 9wga n GLN 92 N -1.12 2.21 -2.69 1.43 3.00 -1.23 -4.58 117.38 114.40 9wga n GLN 92 Ca 0.01 -1.80 -0.06 0.00 -0.01 0.00 0.00 57.00 55.14 9wga n GLN 92 Cb 0.01 -1.47 0.09 0.00 0.00 0.00 0.00 30.24 28.87 9wga n GLN 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 9wga n SER 93 N 1.08 -1.76 -3.56 1.08 7.64 0.32 -4.70 113.62 113.73 9wga n SER 93 Ca 0.17 -2.66 -0.20 0.00 1.01 0.00 0.00 58.87 57.19 9wga n SER 93 Cb 0.52 1.44 0.06 0.00 -1.01 0.00 0.00 64.21 65.22 9wga n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 9wga n GLY 94 N 0.17 -0.47 3.38 0.23 0.00 -1.14 -2.41 105.19 104.96 9wga n GLY 94 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.19 9wga n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9wga n GLY 95 N -1.40 0.00 3.55 -0.02 0.00 -0.43 -4.92 105.19 101.98 9wga n GLY 95 Ca -0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 9wga n GLY 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 9wga n LYS 96 N -0.35 1.09 -3.91 1.61 5.02 -1.01 -4.45 118.16 116.15 9wga n LYS 96 Ca 0.00 0.38 -0.34 0.00 -2.02 0.00 0.00 58.31 56.33 9wga n LYS 96 Cb 0.25 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 9wga n LYS 96 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 9wga s LEU 97 N 0.94 4.34 0.50 -0.35 1.43 -1.26 0.22 118.68 124.49 9wga s LEU 97 Ca 0.60 0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 53.85 9wga s LEU 97 Cb -0.75 -2.48 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 9wga s LEU 97 CO 0.59 0.29 1.08 0.00 0.23 0.00 0.00 176.35 178.55 9wga s PRO 99 N -3.14 3.46 -1.32 0.00 0.04 -1.26 -4.21 135.00 128.56 9wga s PRO 99 Ca 0.68 0.67 -0.06 0.00 0.04 0.00 0.00 61.00 62.33 9wga s PRO 99 Cb -0.20 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.29 9wga s PRO 99 CO 0.24 -0.64 0.42 0.09 0.04 0.00 0.00 177.00 177.15 9wga n ASN 100 N -2.78 -4.43 -0.44 6.66 3.02 -1.26 -1.89 115.26 114.14 9wga n ASN 100 Ca 0.06 -0.25 -0.06 0.00 -0.03 0.00 0.00 54.58 54.30 9wga n ASN 100 Cb 0.55 -3.65 -0.02 0.00 -0.61 0.00 0.00 39.78 36.04 9wga n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 9wga n ASN 101 N -2.26 -5.21 -4.76 6.41 3.02 -1.26 -4.97 115.26 106.22 9wga n ASN 101 Ca -0.07 0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 9wga n ASN 101 Cb 0.58 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 9wga n ASN 101 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 9wga s LEU 102 N -1.31 4.04 0.28 3.41 1.02 -0.79 -1.83 118.68 123.49 9wga s LEU 102 Ca 0.00 2.53 -0.29 0.00 0.02 0.00 0.00 54.13 56.39 9wga s LEU 102 Cb 0.00 -4.13 -0.09 0.00 0.02 0.00 0.00 46.19 41.98 9wga s LEU 102 CO 0.00 -1.05 1.16 0.00 0.02 0.00 0.00 176.35 176.47 9wga s SER 105 N 1.71 0.74 0.37 0.00 1.04 -0.16 -0.49 113.70 116.91 9wga s SER 105 Ca 0.06 1.50 0.10 0.00 0.48 0.00 0.00 55.95 58.09 9wga s SER 105 Cb -0.18 -2.31 0.86 0.00 0.10 0.00 0.00 66.02 64.49 9wga s SER 105 CO 0.11 -4.35 1.89 -0.61 0.98 0.00 0.00 173.24 171.26 9wga h GLN 106 N -2.72 0.62 -0.00 4.02 4.15 -1.79 -2.21 115.11 117.17 9wga h GLN 106 Ca -0.63 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.75 9wga h GLN 106 Cb 1.34 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.89 9wga h GLN 106 CO 0.50 0.41 -0.02 0.91 -1.93 0.00 0.00 178.83 178.71 9wga n TRP 107 N -4.53 0.00 -1.19 3.99 7.02 -1.26 -4.93 117.44 116.53 9wga n TRP 107 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.64 9wga n TRP 107 Cb 0.46 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 9wga n TRP 107 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 9wga n GLY 108 N 1.26 1.05 3.34 6.99 0.00 -0.83 -5.01 105.19 111.98 9wga n GLY 108 Ca 0.15 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 9wga n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 9wga s PHE 109 N -2.10 2.14 0.09 1.61 0.08 -1.26 -1.52 117.98 117.02 9wga s PHE 109 Ca 0.00 -0.40 -0.25 0.00 0.12 0.00 0.00 56.93 56.41 9wga s PHE 109 Cb 0.00 -1.21 -0.06 0.00 -0.57 0.00 0.00 43.02 41.17 9wga s PHE 109 CO 0.00 0.22 0.76 0.00 -0.10 0.00 0.00 175.22 176.09 9wga n GLY 111 N 2.06 0.42 2.84 0.00 0.00 -0.08 -4.63 105.19 105.79 9wga n GLY 111 Ca -0.04 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 9wga n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 9wga s LEU 112 N 0.00 1.47 0.00 0.99 1.02 -1.26 -1.25 118.68 119.65 9wga s LEU 112 Ca 0.13 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.26 9wga s LEU 112 Cb -0.00 -0.14 0.00 0.00 0.02 0.00 0.00 46.19 46.07 9wga s LEU 112 CO -0.00 -0.06 0.00 0.61 0.02 0.00 0.00 176.35 176.92 9wga n GLY 113 N 3.72 2.60 0.37 -3.19 0.00 -1.26 -4.87 105.19 102.55 9wga n GLY 113 Ca -0.22 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 43.96 9wga n GLY 113 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 9wga h SER 114 N 0.00 0.75 0.42 1.61 0.02 -1.99 0.16 113.55 114.52 9wga h SER 114 Ca 0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 9wga h SER 114 Cb 0.00 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 9wga h SER 114 CO 0.00 0.38 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.70 9wga h GLU 115 N 0.79 0.00 0.00 3.45 3.07 -1.95 -1.08 114.58 118.86 9wga h GLU 115 Ca 0.47 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 59.03 9wga h GLU 115 Cb 0.66 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.51 9wga h GLU 115 CO -0.23 0.04 -2.11 1.19 -1.40 0.00 0.00 179.01 176.50 9wga n PHE 116 N -3.29 0.00 -0.02 4.33 3.01 -0.76 -4.52 117.46 116.21 9wga n PHE 116 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.33 9wga n PHE 116 Cb 0.19 -0.74 -0.14 0.00 -0.01 0.00 0.00 39.48 38.78 9wga n PHE 116 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 9wga n GLY 118 N 1.66 -1.89 1.79 0.00 0.00 -0.41 -1.83 105.19 104.51 9wga n GLY 118 Ca -0.20 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 9wga n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9wga n GLY 119 N 3.09 -0.15 2.52 -0.02 0.00 -1.26 0.11 105.19 109.47 9wga n GLY 119 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 9wga n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9wga n GLY 120 N 0.77 2.47 3.59 -0.02 0.00 -1.26 -4.56 105.19 106.18 9wga n GLY 120 Ca 0.10 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.61 9wga n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga n GLN 122 N 2.46 0.67 -3.85 0.00 6.02 0.36 -4.94 117.38 118.09 9wga n GLN 122 Ca 0.18 0.12 -0.04 0.00 -0.01 0.00 0.00 57.00 57.26 9wga n GLN 122 Cb 0.20 -1.63 0.01 0.00 1.02 0.00 0.00 30.24 29.84 9wga n GLN 122 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 9wga s SER 123 N -5.80 -0.02 0.11 1.08 1.04 -1.26 -4.97 113.70 103.88 9wga s SER 123 Ca -0.09 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.65 9wga s SER 123 Cb 0.07 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.73 9wga s SER 123 CO 0.82 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.59 9wga n GLY 124 N -0.65 -1.10 2.17 7.32 0.00 -1.26 -2.45 105.19 109.23 9wga n GLY 124 Ca -0.04 -1.23 -0.04 0.00 0.00 0.00 0.00 46.02 44.71 9wga n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga n ALA 125 N 2.41 3.18 -1.70 4.61 0.00 -0.76 -4.88 120.51 123.37 9wga n ALA 125 Ca 0.00 -0.62 -0.39 0.00 0.00 0.00 0.00 53.44 52.43 9wga n ALA 125 Cb 0.00 -2.12 0.04 0.00 0.00 0.00 0.00 19.45 17.37 9wga n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 9wga n SER 127 N -0.67 3.81 0.09 0.00 3.41 -0.76 -4.30 113.62 115.19 9wga n SER 127 Ca 0.11 -2.00 -0.13 0.00 -0.26 0.00 0.00 58.87 56.59 9wga n SER 127 Cb 0.44 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.84 9wga n SER 127 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 9wga h THR 128 N 4.30 1.57 -5.79 6.66 1.35 -1.89 -3.48 112.91 115.62 9wga h THR 128 Ca 0.00 -3.17 -0.34 0.00 -0.55 0.00 0.00 66.41 62.35 9wga h THR 128 Cb 0.98 2.90 0.14 0.00 -1.73 0.00 0.00 68.15 70.44 9wga h THR 128 CO 0.00 0.92 -0.87 -0.67 -0.25 0.00 0.00 175.52 174.65 9wga n ASP 129 N -3.48 -4.96 -4.82 5.36 4.64 -1.26 -4.97 116.55 107.07 9wga n ASP 129 Ca -0.05 -0.81 -0.33 0.00 -1.38 0.00 0.00 54.79 52.22 9wga n ASP 129 Cb 0.99 -4.50 -0.07 0.00 -1.04 0.00 0.00 41.12 36.50 9wga n ASP 129 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 9wga s LYS 130 N -5.19 4.20 0.50 -0.67 1.02 -1.26 -4.99 119.74 113.34 9wga s LYS 130 Ca 0.35 1.05 -0.20 0.00 0.02 0.00 0.00 55.97 57.18 9wga s LYS 130 Cb -0.08 -2.23 -0.08 0.00 -0.52 0.00 0.00 37.83 34.92 9wga s LYS 130 CO 0.78 0.01 1.07 -2.14 -0.92 0.00 0.00 175.35 174.15 9wga s PRO 131 N -3.12 3.70 0.20 -1.68 0.02 -1.26 -4.52 135.00 128.33 9wga s PRO 131 Ca 0.60 1.45 0.05 0.00 0.02 0.00 0.00 61.00 63.13 9wga s PRO 131 Cb -0.09 -2.11 -0.05 0.00 0.02 0.00 0.00 34.50 32.27 9wga s PRO 131 CO 0.14 -0.53 -0.07 0.00 -0.33 0.00 0.00 177.00 176.21 9wga n GLY 133 N -0.33 -1.91 0.23 0.00 0.00 0.16 -4.32 105.19 99.02 9wga n GLY 133 Ca -0.08 -1.49 0.17 0.00 0.00 0.00 0.00 46.02 44.62 9wga n GLY 133 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 9wga n LYS 134 N 0.00 -0.05 0.00 1.61 0.00 -1.26 0.28 118.16 118.75 9wga n LYS 134 Ca 0.00 1.01 0.13 0.00 -0.00 0.00 0.00 58.31 59.45 9wga n LYS 134 Cb 0.00 -1.72 0.41 0.00 -0.00 0.00 0.00 35.03 33.72 9wga n LYS 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 9wga n ASP 135 N -4.76 0.29 -2.29 -5.58 10.43 -1.26 -4.29 116.55 109.09 9wga n ASP 135 Ca 0.22 0.06 -0.26 0.00 2.57 0.00 0.00 54.79 57.38 9wga n ASP 135 Cb 0.74 -0.06 0.01 0.00 1.84 0.00 0.00 41.12 43.65 9wga n ASP 135 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 9wga n ALA 136 N -1.50 5.13 -0.84 2.24 0.00 0.82 -4.90 120.51 121.46 9wga n ALA 136 Ca 0.06 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.44 9wga n ALA 136 Cb 0.34 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.26 9wga n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9wga n GLY 137 N -0.60 0.15 1.57 0.00 0.00 -1.20 -1.43 105.19 103.68 9wga n GLY 137 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 9wga n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9wga n GLY 138 N -0.72 0.75 3.78 -0.02 0.00 -0.73 -4.99 105.19 103.27 9wga n GLY 138 Ca 0.00 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 9wga n GLY 138 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 9wga s ARG 139 N -4.14 4.26 0.19 1.61 1.70 -0.52 -4.69 118.95 117.36 9wga s ARG 139 Ca 0.00 1.50 0.07 0.00 -0.47 0.00 0.00 55.73 56.83 9wga s ARG 139 Cb 0.00 -2.62 -0.04 0.00 -0.57 0.00 0.00 34.95 31.72 9wga s ARG 139 CO 0.00 -0.05 0.04 0.14 -1.08 0.00 0.00 175.30 174.35 9wga s VAL 140 N -1.63 3.92 0.78 4.99 -7.23 -1.26 0.35 120.40 120.32 9wga s VAL 140 Ca 0.56 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 9wga s VAL 140 Cb -0.22 -3.00 0.06 0.00 0.56 0.00 0.00 36.38 33.78 9wga s VAL 140 CO 0.28 -0.15 1.08 0.00 -0.31 0.00 0.00 175.10 176.00 9wga s THR 142 N -2.99 3.64 -1.97 0.00 -4.23 -1.26 -4.33 115.64 104.50 9wga s THR 142 Ca 0.61 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 9wga s THR 142 Cb -0.16 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.19 9wga s THR 142 CO 0.56 -0.58 0.00 0.59 -0.54 0.00 0.00 174.62 174.65 9wga n ASN 143 N -2.79 -5.29 -1.54 3.99 4.13 -1.26 -1.76 115.26 110.74 9wga n ASN 143 Ca 0.06 0.36 -0.16 0.00 1.68 0.00 0.00 54.58 56.51 9wga n ASN 143 Cb 0.57 -4.62 -0.04 0.00 -1.54 0.00 0.00 39.78 34.16 9wga n ASN 143 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 9wga n ASN 144 N -1.43 -4.90 -4.77 6.41 5.15 -1.26 -4.97 115.26 109.48 9wga n ASN 144 Ca -0.21 0.20 -0.37 0.00 -0.60 0.00 0.00 54.58 53.61 9wga n ASN 144 Cb 0.65 -3.92 -0.01 0.00 -0.53 0.00 0.00 39.78 35.97 9wga n ASN 144 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 9wga s TYR 145 N -2.71 2.84 0.13 1.20 2.02 -0.72 -1.50 117.35 118.62 9wga s TYR 145 Ca 0.00 1.53 -0.30 0.00 -0.37 0.00 0.00 57.07 57.93 9wga s TYR 145 Cb 0.00 -3.38 -0.07 0.00 -0.40 0.00 0.00 41.96 38.11 9wga s TYR 145 CO 0.00 -1.55 1.06 0.00 -1.57 0.00 0.00 175.55 173.49 9wga s SER 148 N 2.16 1.86 0.54 0.00 1.04 0.77 -0.37 113.70 119.69 9wga s SER 148 Ca 0.22 1.35 0.35 0.00 0.48 0.00 0.00 55.95 58.34 9wga s SER 148 Cb -0.15 -2.06 1.60 0.00 0.10 0.00 0.00 66.02 65.50 9wga s SER 148 CO 0.18 -3.63 2.04 0.07 0.98 0.00 0.00 173.24 172.88 9wga h LYS 149 N -2.23 0.00 -0.01 4.02 2.10 -1.66 -1.85 116.57 116.93 9wga h LYS 149 Ca -0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 9wga h LYS 149 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 9wga h LYS 149 CO 0.54 0.00 -0.03 0.91 -2.00 0.00 0.00 179.45 178.87 9wga n TRP 150 N -2.95 0.00 -2.47 0.07 5.03 -1.26 -4.93 117.44 110.93 9wga n TRP 150 Ca -0.00 0.00 -0.00 0.00 3.03 0.00 0.00 57.50 60.53 9wga n TRP 150 Cb 0.22 -0.03 0.00 0.00 -1.03 0.00 0.00 31.31 30.48 9wga n TRP 150 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 9wga n GLY 151 N 1.16 0.92 3.17 6.99 0.00 -0.70 -4.98 105.19 111.75 9wga n GLY 151 Ca 0.19 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 9wga n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 9wga s SER 152 N -3.00 1.91 -0.02 1.61 0.01 -1.26 -2.40 113.70 110.55 9wga s SER 152 Ca 0.00 -0.44 -0.17 0.00 1.31 0.00 0.00 55.95 56.64 9wga s SER 152 Cb -0.00 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 9wga s SER 152 CO 0.00 0.10 0.49 0.00 0.41 0.00 0.00 173.24 174.23 9wga s GLY 154 N -0.45 -0.23 -0.07 0.00 0.00 -0.84 -4.96 107.32 100.77 9wga s GLY 154 Ca 0.26 0.21 0.01 0.00 0.00 0.00 0.00 44.72 45.21 9wga s GLY 154 CO 0.14 5.96 -0.09 -0.42 0.00 0.00 0.00 173.10 178.69 9wga s ILE 155 N -2.02 0.96 0.00 0.90 1.01 -1.26 -0.66 121.20 120.13 9wga s ILE 155 Ca 0.30 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.62 9wga s ILE 155 Cb 0.01 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.55 9wga s ILE 155 CO -0.03 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.85 9wga n GLY 156 N 4.20 2.20 0.28 6.18 0.00 -1.26 -4.85 105.19 111.94 9wga n GLY 156 Ca -0.20 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 9wga n GLY 156 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 9wga h PRO 157 N 0.00 -0.36 0.00 1.61 0.11 -1.99 0.63 132.00 132.00 9wga h PRO 157 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 9wga h PRO 157 Cb 0.00 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.19 9wga h PRO 157 CO 0.00 -0.24 0.05 0.78 -0.21 0.00 0.00 178.00 178.38 9wga h GLY 158 N -0.37 0.00 0.00 -0.55 0.00 -1.96 0.36 103.07 100.55 9wga h GLY 158 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.09 9wga h GLY 158 CO -0.25 0.00 -2.01 -1.72 0.00 0.00 0.00 176.54 172.56 9wga n TYR 159 N -2.53 0.00 1.13 5.60 4.02 -0.47 -4.70 117.16 120.20 9wga n TYR 159 Ca -0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.00 9wga n TYR 159 Cb 0.09 -0.66 0.33 0.00 -0.02 0.00 0.00 39.34 39.08 9wga n TYR 159 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 9wga n GLY 161 N 1.42 0.18 3.59 0.00 0.00 0.13 -0.42 105.19 110.08 9wga n GLY 161 Ca 0.09 -1.66 -0.61 0.00 0.00 0.00 0.00 46.02 43.84 9wga n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga n ALA 162 N -3.00 -2.57 -1.88 4.61 0.00 -1.26 -1.69 120.51 114.72 9wga n ALA 162 Ca 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 53.44 53.95 9wga n ALA 162 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 19.45 17.59 9wga n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9wga n GLY 163 N 2.47 0.30 3.69 0.00 0.00 -1.26 -4.71 105.19 105.68 9wga n GLY 163 Ca 0.23 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 9wga n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga h GLN 165 N 7.02 0.31 0.00 0.00 4.20 -0.92 -3.49 115.11 122.22 9wga h GLN 165 Ca -0.35 -0.52 0.05 0.00 0.06 0.00 0.00 58.65 57.89 9wga h GLN 165 Cb 1.17 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 9wga h GLN 165 CO 0.81 1.21 0.36 -1.13 -0.67 0.00 0.00 178.83 179.41 9wga n SER 166 N -3.53 -1.68 0.00 1.46 3.41 -1.26 -5.00 113.62 107.03 9wga n SER 166 Ca -0.14 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 9wga n SER 166 Cb 1.05 2.77 0.00 0.00 -0.26 0.00 0.00 64.21 67.76 9wga n SER 166 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 9wga n GLY 167 N -0.52 -1.77 2.72 5.00 0.00 -1.26 -1.18 105.19 108.18 9wga n GLY 167 Ca -0.05 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 9wga n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9wga n GLY 168 N 0.00 4.70 3.76 -0.02 0.00 -0.56 -4.91 105.19 108.16 9wga n GLY 168 Ca 0.00 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 9wga n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9wga n ASP 170 N -1.51 3.81 0.00 0.00 10.43 0.43 -5.07 116.55 124.64 9wga n ASP 170 Ca 0.12 0.94 0.00 0.00 2.57 0.00 0.00 54.79 58.43 9wga n ASP 170 Cb 0.50 -1.45 0.00 0.00 1.84 0.00 0.00 41.12 42.01 9wga n ASP 170 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13