#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn s LYS 2 N 0.00 4.25 -0.02 2.12 -0.14 -1.26 0.18 119.74 124.87 2wdn s LYS 2 Ca 0.00 2.18 -0.00 0.00 -1.36 0.00 0.00 55.97 56.79 2wdn s LYS 2 Cb 0.00 -3.45 0.03 0.00 -1.68 0.00 0.00 37.83 32.73 2wdn s LYS 2 CO 0.00 -0.61 0.03 0.08 -0.76 0.00 0.00 175.35 174.10 2wdn s VAL 3 N 2.01 -0.06 -0.22 3.17 1.01 1.00 -1.87 120.40 125.43 2wdn s VAL 3 Ca 0.68 0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.68 2wdn s VAL 3 Cb -0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 2wdn s VAL 3 CO 0.30 0.10 0.70 -0.63 0.00 0.00 0.00 175.10 175.57 2wdn s ILE 4 N 1.18 4.95 0.10 2.22 1.01 -0.82 -1.75 121.20 128.09 2wdn s ILE 4 Ca -0.08 1.31 -0.02 0.00 0.00 0.00 0.00 60.65 61.87 2wdn s ILE 4 Cb -0.13 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.36 2wdn s ILE 4 CO -0.03 0.04 0.10 0.18 0.00 0.00 0.00 174.94 175.23 2wdn n LEU 5 N 5.44 0.00 0.00 2.97 4.77 -0.87 -1.30 117.00 128.01 2wdn n LEU 5 Ca 0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2wdn n LEU 5 Cb 0.49 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wdn n LEU 5 CO 0.45 -0.95 0.00 0.18 -1.33 0.00 0.00 177.39 175.74 2wdn n LEU 6 N 0.00 0.00 -4.38 2.23 4.77 -1.21 -3.59 117.00 114.83 2wdn n LEU 6 Ca 0.01 0.00 -0.51 0.00 -0.03 0.00 0.00 56.01 55.49 2wdn n LEU 6 Cb 0.05 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 2wdn n LEU 6 CO 0.03 0.00 1.96 1.21 -1.33 0.00 0.00 177.39 179.27 2wdn n GLU 7 N 0.00 0.07 -1.40 3.23 4.07 -1.26 -2.37 120.64 122.97 2wdn n GLU 7 Ca 0.00 0.01 -0.39 0.00 -0.06 0.00 0.00 57.16 56.73 2wdn n GLU 7 Cb 0.00 -1.58 0.03 0.00 -0.06 0.00 0.00 31.44 29.82 2wdn n GLU 7 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2wdn n PRO 8 N 8.01 0.37 -4.48 5.31 -0.04 -1.26 -4.82 135.00 138.08 2wdn n PRO 8 Ca 0.59 0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 63.96 2wdn n PRO 8 Cb 0.02 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 31.89 2wdn n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wdn s LEU 9 N 2.01 2.11 0.09 1.53 1.43 -1.08 -4.72 118.68 120.05 2wdn s LEU 9 Ca 0.65 -1.49 -0.31 0.00 -1.03 0.00 0.00 54.13 51.96 2wdn s LEU 9 Cb -0.47 -0.30 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 2wdn s LEU 9 CO 0.58 -0.73 1.42 -0.70 0.23 0.00 0.00 176.35 177.15 2wdn s GLU 10 N -3.84 4.30 0.00 1.70 -6.30 -1.26 -2.33 118.70 110.97 2wdn s GLU 10 Ca 0.31 2.09 0.00 0.00 -2.50 0.00 0.00 54.97 54.87 2wdn s GLU 10 Cb 0.06 -3.32 0.00 0.00 0.00 0.00 0.00 34.13 30.87 2wdn s GLU 10 CO 0.15 -0.49 0.00 -1.71 0.02 0.00 0.00 175.26 173.22 2wdn n ASN 11 N 4.32 0.00 -4.03 -1.70 5.15 -1.26 -4.65 115.26 113.09 2wdn n ASN 11 Ca 0.12 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.77 2wdn n ASN 11 Cb 0.42 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.56 2wdn n ASN 11 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2wdn s LEU 12 N 0.00 4.91 0.00 1.20 2.34 -1.24 -5.06 118.68 120.84 2wdn s LEU 12 Ca 0.00 -3.08 0.00 0.00 0.06 0.00 0.00 54.13 51.11 2wdn s LEU 12 Cb 0.00 -1.77 0.00 0.00 -0.56 0.00 0.00 46.19 43.86 2wdn s LEU 12 CO 0.00 -0.28 0.00 0.61 -1.06 0.00 0.00 176.35 175.62 2wdn n GLY 13 N 3.11 6.04 2.51 -3.48 0.00 -0.98 -2.64 105.19 109.74 2wdn n GLY 13 Ca 0.09 -1.61 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 2wdn n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wdn n ASP 14 N 0.00 -0.46 -3.61 1.61 8.00 -1.26 -4.60 116.55 116.23 2wdn n ASP 14 Ca 0.00 1.26 -0.33 0.00 0.71 0.00 0.00 54.79 56.43 2wdn n ASP 14 Cb 0.00 -4.98 0.04 0.00 -0.02 0.00 0.00 41.12 36.16 2wdn n ASP 14 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2wdn n VAL 15 N 1.59 0.00 0.00 2.53 3.14 -1.00 -1.71 118.33 122.89 2wdn n VAL 15 Ca -0.40 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.55 2wdn n VAL 15 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 2wdn n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wdn n GLY 16 N 3.16 1.78 3.67 7.55 0.00 -1.24 -4.88 105.19 115.25 2wdn n GLY 16 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wdn n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wdn s GLN 17 N 0.00 4.14 -0.89 1.61 0.74 -0.69 -4.53 119.66 120.04 2wdn s GLN 17 Ca 0.00 2.59 -0.16 0.00 0.05 0.00 0.00 55.36 57.84 2wdn s GLN 17 Cb 0.00 -3.93 0.18 0.00 1.10 0.00 0.00 33.01 30.36 2wdn s GLN 17 CO 0.00 -0.91 0.96 0.08 -0.55 0.00 0.00 175.29 174.88 2wdn s VAL 18 N 3.75 5.18 0.24 1.34 1.01 -1.26 -2.06 120.40 128.60 2wdn s VAL 18 Ca 0.85 -2.05 0.05 0.00 0.00 0.00 0.00 61.98 60.83 2wdn s VAL 18 Cb -0.44 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.28 2wdn s VAL 18 CO 0.39 -1.28 0.35 0.54 0.00 0.00 0.00 175.10 175.11 2wdn s VAL 19 N 1.40 5.23 -0.18 2.92 0.11 -0.72 -4.76 120.40 124.40 2wdn s VAL 19 Ca 0.26 -1.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.25 2wdn s VAL 19 Cb -0.07 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 30.91 2wdn s VAL 19 CO -0.09 -0.33 0.01 1.51 -3.33 0.00 0.00 175.10 172.87 2wdn s ASP 20 N -3.97 5.02 0.26 3.54 3.84 -1.26 -0.00 116.67 124.11 2wdn s ASP 20 Ca 0.34 -0.11 0.05 0.00 -0.00 0.00 0.00 52.55 52.83 2wdn s ASP 20 Cb -0.09 -1.85 -0.06 0.00 -1.38 0.00 0.00 42.92 39.55 2wdn s ASP 20 CO 0.29 0.12 -0.01 0.68 -0.00 0.00 0.00 175.17 176.25 2wdn s VAL 21 N 0.65 1.25 0.24 2.11 -7.23 0.13 -4.61 120.40 112.94 2wdn s VAL 21 Ca -0.00 -2.06 -0.31 0.00 -1.81 0.00 0.00 61.98 57.80 2wdn s VAL 21 Cb -0.14 -2.45 -0.13 0.00 0.56 0.00 0.00 36.38 34.23 2wdn s VAL 21 CO 0.02 -0.27 1.54 1.17 -0.31 0.00 0.00 175.10 177.25 2wdn n LYS 22 N -0.51 2.39 -0.25 4.82 3.00 -1.26 0.25 118.16 126.60 2wdn n LYS 22 Ca -0.05 0.85 -0.02 0.00 -0.00 0.00 0.00 58.31 59.09 2wdn n LYS 22 Cb 0.64 -2.59 0.04 0.00 0.00 0.00 0.00 35.03 33.12 2wdn n LYS 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2wdn h PRO 23 N 4.97 -0.08 -0.86 1.64 0.11 -2.00 0.20 132.00 135.97 2wdn h PRO 23 Ca -0.45 0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.82 2wdn h PRO 23 Cb 1.24 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 2wdn h PRO 23 CO 0.81 -0.05 0.44 0.78 -0.21 0.00 0.00 178.00 179.77 2wdn h GLY 24 N -0.08 1.43 0.90 -0.55 0.00 -1.99 -1.52 103.07 101.26 2wdn h GLY 24 Ca 0.30 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.41 2wdn h GLY 24 CO -0.76 -0.08 0.48 -1.82 0.00 0.00 0.00 176.54 174.36 2wdn h TYR 25 N 0.59 0.90 0.05 5.60 -0.00 -0.97 -2.57 116.97 120.57 2wdn h TYR 25 Ca 0.49 0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 59.24 2wdn h TYR 25 Cb 0.74 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 37.17 2wdn h TYR 25 CO -0.10 0.52 -0.03 0.00 -0.00 0.00 0.00 178.16 178.56 2wdn h ALA 26 N 1.31 -0.44 -0.56 1.82 0.00 -1.01 -1.59 119.26 118.80 2wdn h ALA 26 Ca 0.29 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.35 2wdn h ALA 26 Cb -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wdn h ALA 26 CO -0.10 -0.44 0.87 0.00 0.00 0.00 0.00 179.25 179.58 2wdn h ARG 27 N -0.14 0.00 -0.00 0.00 3.08 -1.40 -2.25 114.38 113.67 2wdn h ARG 27 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wdn h ARG 27 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2wdn h ARG 27 CO 0.01 0.00 -0.00 0.09 -1.07 0.00 0.00 179.97 179.00 2wdn n ASN 28 N -3.18 0.06 0.07 7.04 3.02 -0.97 -4.54 115.26 116.76 2wdn n ASN 28 Ca 0.12 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2wdn n ASN 28 Cb 1.06 0.95 0.00 0.00 -0.61 0.00 0.00 39.78 41.18 2wdn n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdn n TYR 29 N -0.95 -0.68 0.00 3.10 9.36 -0.61 -4.77 117.16 122.61 2wdn n TYR 29 Ca 0.00 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.34 2wdn n TYR 29 Cb 0.00 0.17 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 2wdn n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wdn n LEU 30 N -3.42 0.25 -0.28 2.98 4.77 -1.12 -1.60 117.00 118.58 2wdn n LEU 30 Ca 0.00 0.65 0.02 0.00 -0.03 0.00 0.00 56.01 56.65 2wdn n LEU 30 Cb 0.04 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 40.80 2wdn n LEU 30 CO 0.00 -0.42 0.70 -0.07 -1.33 0.00 0.00 177.39 176.27 2wdn h LEU 31 N 0.00 -0.78 0.12 2.23 4.07 -1.63 0.39 115.31 119.71 2wdn h LEU 31 Ca 0.00 0.24 0.01 0.00 0.08 0.00 0.00 57.88 58.21 2wdn h LEU 31 Cb 0.00 0.50 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 2wdn h LEU 31 CO 0.00 -0.26 -0.17 -0.65 -1.08 0.00 0.00 178.44 176.27 2wdn h PRO 32 N -0.01 -0.34 -0.58 1.13 0.11 -1.72 -1.68 132.00 128.91 2wdn h PRO 32 Ca 0.37 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2wdn h PRO 32 Cb 0.58 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2wdn h PRO 32 CO -0.81 -0.22 0.00 0.54 -0.21 0.00 0.00 178.00 177.29 2wdn n ARG 33 N -5.30 1.20 -3.85 1.05 1.74 -0.45 -4.91 116.66 106.14 2wdn n ARG 33 Ca -0.07 -0.19 -0.36 0.00 -0.77 0.00 0.00 57.85 56.46 2wdn n ARG 33 Cb 0.21 -1.33 0.02 0.00 -1.02 0.00 0.00 32.46 30.35 2wdn n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdn n GLY 34 N 0.27 -1.00 0.01 -0.13 0.00 0.12 -4.87 105.19 99.60 2wdn n GLY 34 Ca 0.02 0.43 0.01 0.00 0.00 0.00 0.00 46.02 46.48 2wdn n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdn n LEU 35 N -4.18 1.80 0.00 0.99 4.77 -0.39 -4.86 117.00 115.13 2wdn n LEU 35 Ca -0.14 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 2wdn n LEU 35 Cb 0.59 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2wdn n LEU 35 CO 0.69 0.47 0.00 0.00 -1.33 0.00 0.00 177.39 177.22 2wdn n ALA 36 N -0.54 0.00 -2.74 -1.18 0.00 -1.26 -3.31 120.51 111.48 2wdn n ALA 36 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 2wdn n ALA 36 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 2wdn n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wdn s VAL 37 N -2.00 0.10 -0.13 0.00 1.01 -0.42 -4.18 120.40 114.79 2wdn s VAL 37 Ca 0.00 -1.04 -0.36 0.00 0.00 0.00 0.00 61.98 60.58 2wdn s VAL 37 Cb 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 36.38 34.85 2wdn s VAL 37 CO 0.00 -0.47 1.83 0.18 0.00 0.00 0.00 175.10 176.64 2wdn n LEU 38 N -0.15 3.14 -2.98 3.92 4.32 -1.26 -1.95 117.00 122.04 2wdn n LEU 38 Ca -0.14 1.00 -0.23 0.00 -0.02 0.00 0.00 56.01 56.63 2wdn n LEU 38 Cb 0.63 -1.31 -0.04 0.00 -1.62 0.00 0.00 43.42 41.08 2wdn n LEU 38 CO 0.21 -0.17 2.36 0.00 -1.22 0.00 0.00 177.39 178.58 2wdn n ALA 39 N 6.18 5.36 -2.49 -1.18 0.00 -0.78 -4.72 120.51 122.88 2wdn n ALA 39 Ca 0.23 -2.18 -0.20 0.00 0.00 0.00 0.00 53.44 51.30 2wdn n ALA 39 Cb 0.25 -2.93 -0.00 0.00 0.00 0.00 0.00 19.45 16.76 2wdn n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wdn s THR 40 N 2.74 4.16 0.24 0.00 -4.23 -1.26 -4.88 115.64 112.41 2wdn s THR 40 Ca 0.48 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 60.01 2wdn s THR 40 Cb 0.14 -3.45 0.21 0.00 1.34 0.00 0.00 72.50 70.74 2wdn s THR 40 CO -0.03 -0.19 1.83 -0.33 -0.54 0.00 0.00 174.62 175.36 2wdn h GLU 41 N 0.85 0.85 -0.95 3.99 5.08 -1.95 0.91 114.58 123.37 2wdn h GLU 41 Ca -0.46 -0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.06 2wdn h GLU 41 Cb 1.25 -0.19 -0.18 0.00 0.50 0.00 0.00 28.75 30.13 2wdn h GLU 41 CO 0.54 0.57 -0.15 0.45 -1.00 0.00 0.00 179.01 179.41 2wdn n SER 42 N -4.68 -0.27 -0.07 1.42 2.88 -1.26 0.84 113.62 112.48 2wdn n SER 42 Ca 0.12 1.63 -0.12 0.00 -1.33 0.00 0.00 58.87 59.18 2wdn n SER 42 Cb 0.21 -0.53 -0.15 0.00 -0.75 0.00 0.00 64.21 63.00 2wdn n SER 42 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2wdn n ASN 43 N -5.51 0.83 0.03 -3.46 3.02 -0.81 -3.94 115.26 105.42 2wdn n ASN 43 Ca 0.18 0.13 -0.13 0.00 -0.03 0.00 0.00 54.58 54.73 2wdn n ASN 43 Cb 0.56 0.23 -0.08 0.00 -0.61 0.00 0.00 39.78 39.88 2wdn n ASN 43 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wdn h LEU 44 N 0.01 -0.04 -1.29 3.41 5.85 0.24 -0.13 115.31 123.36 2wdn h LEU 44 Ca -0.46 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 57.98 2wdn h LEU 44 Cb 2.10 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.13 2wdn h LEU 44 CO 0.03 0.18 -0.30 0.07 -0.34 0.00 0.00 178.44 178.09 2wdn h LYS 45 N -0.26 0.09 -0.28 1.25 2.10 0.23 -0.54 116.57 119.15 2wdn h LYS 45 Ca -0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2wdn h LYS 45 Cb 0.24 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2wdn h LYS 45 CO 0.01 0.39 0.00 0.00 -2.00 0.00 0.00 179.45 177.84 2wdn n ALA 46 N -2.48 2.46 0.05 0.07 0.00 -1.08 -3.03 120.51 116.49 2wdn n ALA 46 Ca -0.02 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 2wdn n ALA 46 Cb 0.37 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 2wdn n ALA 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdn h LEU 47 N 1.70 0.08 -1.47 0.00 5.85 0.68 -3.19 115.31 118.97 2wdn h LEU 47 Ca 0.00 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2wdn h LEU 47 Cb 0.39 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2wdn h LEU 47 CO 0.00 1.08 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.74 2wdn h GLU 48 N 0.01 0.20 0.00 1.25 4.39 -1.61 0.81 114.58 119.64 2wdn h GLU 48 Ca -0.11 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2wdn h GLU 48 Cb 1.87 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.49 2wdn h GLU 48 CO 0.13 0.33 0.00 0.00 -1.16 0.00 0.00 179.01 178.31 2wdn n ALA 49 N -2.49 1.73 0.00 3.43 0.00 -1.21 -1.54 120.51 120.43 2wdn n ALA 49 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wdn n ALA 49 Cb 0.25 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2wdn n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdn n ARG 50 N -0.60 0.00 0.00 0.00 1.74 -0.58 -4.67 116.66 112.54 2wdn n ARG 50 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2wdn n ARG 50 Cb 0.00 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 2wdn n ARG 50 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wdn n ILE 51 N -1.54 0.00 0.13 0.55 2.08 0.27 -2.80 119.36 118.06 2wdn n ILE 51 Ca 0.00 0.84 0.00 0.00 0.56 0.00 0.00 62.75 64.15 2wdn n ILE 51 Cb 0.00 -1.81 0.30 0.00 -0.75 0.00 0.00 39.64 37.38 2wdn n ILE 51 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2wdn h ARG 52 N 0.00 0.17 0.00 0.38 0.11 -1.69 -2.70 114.38 110.65 2wdn h ARG 52 Ca 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2wdn h ARG 52 Cb 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.07 2wdn h ARG 52 CO 0.00 0.49 0.00 0.00 0.10 0.00 0.00 179.97 180.56 2wdn n ALA 53 N -2.48 0.00 0.32 0.08 0.00 -0.59 -2.26 120.51 115.59 2wdn n ALA 53 Ca -0.01 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.63 2wdn n ALA 53 Cb 0.41 0.12 1.05 0.00 0.00 0.00 0.00 19.45 21.03 2wdn n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2wdn h GLN 54 N 0.00 0.00 0.00 0.00 4.15 -1.65 -2.46 115.11 115.15 2wdn h GLN 54 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2wdn h GLN 54 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2wdn h GLN 54 CO 0.00 0.01 0.00 0.00 -1.93 0.00 0.00 178.83 176.91 2wdn n ALA 55 N -2.13 -0.18 -0.15 3.38 0.00 -0.98 -1.61 120.51 118.85 2wdn n ALA 55 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 2wdn n ALA 55 Cb 0.13 0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 2wdn n ALA 55 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wdn h LYS 56 N 0.00 0.85 0.00 0.00 2.10 -1.48 -2.45 116.57 115.58 2wdn h LYS 56 Ca 0.00 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2wdn h LYS 56 Cb 0.00 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 2wdn h LYS 56 CO 0.00 0.96 0.00 -2.13 -2.00 0.00 0.00 179.45 176.28 2wdn n ARG 57 N -4.28 0.00 -0.01 0.07 0.63 -0.93 0.14 116.66 112.28 2wdn n ARG 57 Ca -0.01 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2wdn n ARG 57 Cb 0.38 -1.44 -0.12 0.00 0.45 0.00 0.00 32.46 31.73 2wdn n ARG 57 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2wdn n LEU 58 N -0.91 0.70 0.00 6.15 7.94 -0.63 -3.87 117.00 126.38 2wdn n LEU 58 Ca 0.00 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 2wdn n LEU 58 Cb 0.00 0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.11 2wdn n LEU 58 CO 0.00 0.26 0.09 0.00 -1.11 0.00 0.00 177.39 176.63 2wdn n ALA 59 N -2.49 1.16 0.44 1.96 0.00 0.37 -1.45 120.51 120.50 2wdn n ALA 59 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.41 2wdn n ALA 59 Cb 0.94 -0.77 0.48 0.00 0.00 0.00 0.00 19.45 20.09 2wdn n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wdn n GLU 60 N -0.62 0.20 0.00 0.00 4.07 -1.25 0.11 120.64 123.16 2wdn n GLU 60 Ca 0.00 0.38 0.02 0.00 -0.06 0.00 0.00 57.16 57.51 2wdn n GLU 60 Cb 0.00 -1.86 0.02 0.00 -0.06 0.00 0.00 31.44 29.54 2wdn n GLU 60 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2wdn n ARG 61 N -2.24 -0.06 0.00 5.31 3.00 -0.53 -3.51 116.66 118.64 2wdn n ARG 61 Ca 0.03 -0.76 0.00 0.00 -0.01 0.00 0.00 57.85 57.11 2wdn n ARG 61 Cb 0.26 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.65 2wdn n ARG 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wdn n LYS 62 N 0.22 -0.53 0.00 5.56 4.76 -0.94 -4.13 118.16 123.09 2wdn n LYS 62 Ca 0.03 -0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 2wdn n LYS 62 Cb 0.12 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 2wdn n LYS 62 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdn n ALA 63 N -0.04 1.62 0.79 7.82 0.00 0.30 -4.39 120.51 126.61 2wdn n ALA 63 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2wdn n ALA 63 Cb 0.03 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 2wdn n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdn n GLU 64 N -1.43 1.51 -0.01 0.00 -0.58 -1.23 -3.71 120.64 115.19 2wdn n GLU 64 Ca 0.00 -0.28 0.10 0.00 -0.42 0.00 0.00 57.16 56.55 2wdn n GLU 64 Cb 0.29 -1.30 -0.14 0.00 -0.57 0.00 0.00 31.44 29.72 2wdn n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdn n ALA 65 N -0.97 3.38 1.07 0.62 0.00 -1.26 -4.01 120.51 119.35 2wdn n ALA 65 Ca 0.05 -0.50 0.13 0.00 0.00 0.00 0.00 53.44 53.11 2wdn n ALA 65 Cb 0.30 -0.69 0.39 0.00 0.00 0.00 0.00 19.45 19.45 2wdn n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdn n GLU 66 N -1.93 0.16 -0.47 0.00 -0.58 -1.25 -3.17 120.64 113.40 2wdn n GLU 66 Ca -0.01 -0.07 0.08 0.00 -0.42 0.00 0.00 57.16 56.73 2wdn n GLU 66 Cb 0.44 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 30.08 2wdn n GLU 66 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wdn n ARG 67 N -1.36 3.30 -0.00 3.49 1.74 -1.24 -2.80 116.66 119.79 2wdn n ARG 67 Ca 0.08 -2.71 0.02 0.00 -0.77 0.00 0.00 57.85 54.47 2wdn n ARG 67 Cb 0.33 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 2wdn n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdn n LEU 68 N 0.18 0.02 -0.01 0.55 7.94 -1.19 -4.54 117.00 119.94 2wdn n LEU 68 Ca 0.21 -0.04 -0.22 0.00 -1.11 0.00 0.00 56.01 54.85 2wdn n LEU 68 Cb 0.82 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.63 2wdn n LEU 68 CO 0.17 0.00 -0.63 0.50 -1.11 0.00 0.00 177.39 176.32 2wdn h LYS 69 N 0.00 0.22 0.00 1.96 3.64 -1.62 -2.56 116.57 118.21 2wdn h LYS 69 Ca 0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2wdn h LYS 69 Cb 0.19 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2wdn h LYS 69 CO 0.00 1.18 0.05 0.93 -2.27 0.00 0.00 179.45 179.34 2wdn h GLU 70 N -0.23 0.00 0.00 1.90 4.39 -1.76 -2.69 114.58 116.18 2wdn h GLU 70 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2wdn h GLU 70 Cb 1.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 2wdn h GLU 70 CO 0.03 0.00 -0.03 0.44 -1.16 0.00 0.00 179.01 178.29 2wdn n ILE 71 N -2.52 0.69 0.17 3.13 -5.35 -1.26 -4.78 119.36 109.44 2wdn n ILE 71 Ca -0.02 0.23 0.02 0.00 -0.27 0.00 0.00 62.75 62.71 2wdn n ILE 71 Cb 0.10 -1.36 0.09 0.00 -1.74 0.00 0.00 39.64 36.73 2wdn n ILE 71 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wdn n LEU 72 N -3.08 0.00 -0.23 7.28 7.99 -0.96 -2.00 117.00 126.01 2wdn n LEU 72 Ca -0.00 0.25 0.07 0.00 -0.01 0.00 0.00 56.01 56.32 2wdn n LEU 72 Cb 0.02 -0.25 0.35 0.00 -0.11 0.00 0.00 43.42 43.42 2wdn n LEU 72 CO 0.01 -0.22 0.73 1.21 -1.51 0.00 0.00 177.39 177.61 2wdn n GLU 73 N -1.25 1.29 0.00 3.23 2.13 -1.01 -4.00 120.64 121.03 2wdn n GLU 73 Ca 0.02 -0.44 0.00 0.00 0.66 0.00 0.00 57.16 57.39 2wdn n GLU 73 Cb 0.03 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.48 2wdn n GLU 73 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2wdn n ASN 74 N -0.28 1.46 -4.55 4.31 4.13 -0.85 -4.78 115.26 114.72 2wdn n ASN 74 Ca 0.11 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.07 2wdn n ASN 74 Cb 0.15 0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.36 2wdn n ASN 74 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wdn n LEU 75 N -1.71 1.89 0.22 3.41 4.32 -1.20 -4.79 117.00 119.13 2wdn n LEU 75 Ca 0.00 -0.67 0.05 0.00 -0.02 0.00 0.00 56.01 55.37 2wdn n LEU 75 Cb 0.18 -1.51 0.48 0.00 -1.62 0.00 0.00 43.42 40.95 2wdn n LEU 75 CO 0.00 -1.74 0.86 0.71 -1.22 0.00 0.00 177.39 176.00 2wdn h THR 76 N 7.71 1.12 0.00 -5.08 1.35 -1.91 -3.40 112.91 112.71 2wdn h THR 76 Ca -0.16 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 2wdn h THR 76 Cb 1.21 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2wdn h THR 76 CO 1.16 0.23 0.00 0.18 -0.25 0.00 0.00 175.52 176.84 2wdn n LEU 77 N -4.20 0.00 -1.35 3.87 4.77 -1.26 -3.37 117.00 115.46 2wdn n LEU 77 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2wdn n LEU 77 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2wdn n LEU 77 CO 0.37 0.00 -0.33 0.41 -1.33 0.00 0.00 177.39 176.51 2wdn n THR 78 N 0.00 -5.78 -5.18 -5.08 -1.04 -1.25 -4.89 114.28 91.06 2wdn n THR 78 Ca 0.00 1.96 -0.32 0.00 -2.04 0.00 0.00 64.05 63.65 2wdn n THR 78 Cb 0.00 -3.15 -0.17 0.00 -1.82 0.00 0.00 70.33 65.19 2wdn n THR 78 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2wdn s ILE 79 N -1.33 2.15 -1.04 12.58 -1.09 0.37 -4.86 121.20 127.99 2wdn s ILE 79 Ca 0.00 -0.99 -0.23 0.00 -2.23 0.00 0.00 60.65 57.20 2wdn s ILE 79 Cb 0.00 -1.82 -0.03 0.00 -1.58 0.00 0.00 42.46 39.03 2wdn s ILE 79 CO 0.00 0.56 1.83 -2.16 -1.23 0.00 0.00 174.94 173.94 2wdn s PRO 80 N 0.31 2.86 0.00 2.79 0.04 -1.26 -1.95 135.00 137.80 2wdn s PRO 80 Ca -0.17 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.03 2wdn s PRO 80 Cb -0.18 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.15 2wdn s PRO 80 CO 0.08 -3.22 0.00 0.28 0.04 0.00 0.00 177.00 174.19 2wdn n VAL 81 N 7.54 0.00 0.00 -0.36 0.31 -1.04 -4.90 118.33 119.88 2wdn n VAL 81 Ca 0.41 0.39 0.00 0.00 -0.01 0.00 0.00 64.34 65.13 2wdn n VAL 81 Cb 0.47 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 2wdn n VAL 81 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdn n ARG 82 N 0.00 0.00 -3.50 5.55 0.63 -1.26 -4.99 116.66 113.09 2wdn n ARG 82 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 2wdn n ARG 82 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 2wdn n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdn s ALA 83 N 0.00 -1.44 -1.11 5.13 0.00 -1.26 -3.68 121.76 119.40 2wdn s ALA 83 Ca 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.19 2wdn s ALA 83 Cb 0.00 0.86 0.29 0.00 0.00 0.00 0.00 23.12 24.27 2wdn s ALA 83 CO 0.00 -0.78 1.24 0.41 0.00 0.00 0.00 175.76 176.63 2wdn n GLY 84 N -0.36 4.50 2.24 0.00 0.00 -1.25 -4.83 105.19 105.49 2wdn n GLY 84 Ca -0.15 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.26 2wdn n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wdn n GLU 85 N 2.29 0.00 0.00 1.61 4.07 -1.26 -4.66 120.64 122.68 2wdn n GLU 85 Ca 0.25 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 2wdn n GLU 85 Cb 0.37 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 2wdn n GLU 85 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2wdn n THR 86 N 0.00 0.00 -1.63 6.31 -2.24 -1.26 -4.80 114.28 110.65 2wdn n THR 86 Ca 0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 2wdn n THR 86 Cb 0.00 -0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 2wdn n THR 86 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wdn n LYS 87 N -0.46 1.69 -2.64 -0.78 4.81 -1.26 -3.15 118.16 116.37 2wdn n LYS 87 Ca 0.00 0.60 -0.23 0.00 -0.87 0.00 0.00 58.31 57.81 2wdn n LYS 87 Cb 0.00 -2.14 0.10 0.00 0.02 0.00 0.00 35.03 33.01 2wdn n LYS 87 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wdn s ILE 88 N -0.46 2.12 -0.30 3.15 1.01 -1.24 -3.84 121.20 121.65 2wdn s ILE 88 Ca 0.65 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.76 2wdn s ILE 88 Cb -0.70 -2.48 0.54 0.00 0.01 0.00 0.00 42.46 39.83 2wdn s ILE 88 CO 0.54 0.00 1.52 -1.22 0.00 0.00 0.00 174.94 175.79 2wdn n TYR 89 N -2.78 1.35 0.00 3.97 0.53 -1.24 -4.90 117.16 114.09 2wdn n TYR 89 Ca 0.15 -1.52 0.00 0.00 -1.02 0.00 0.00 57.90 55.51 2wdn n TYR 89 Cb 0.61 -0.53 0.00 0.00 -1.03 0.00 0.00 39.34 38.39 2wdn n TYR 89 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wdn n GLY 90 N -1.02 -0.73 0.00 2.72 0.00 -1.26 -5.14 105.19 99.77 2wdn n GLY 90 Ca 0.35 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2wdn n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wdn n SER 91 N 0.00 0.00 -2.04 1.61 3.41 -1.26 -4.56 113.62 110.78 2wdn n SER 91 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2wdn n SER 91 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 2wdn n SER 91 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2wdn n VAL 92 N 0.00 0.00 -0.11 -3.33 3.14 -0.73 -4.94 118.33 112.35 2wdn n VAL 92 Ca 0.00 -0.57 -0.07 0.00 -2.96 0.00 0.00 64.34 60.74 2wdn n VAL 92 Cb 0.00 0.76 0.07 0.00 -1.06 0.00 0.00 33.84 33.61 2wdn n VAL 92 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2wdn n THR 93 N -0.89 0.00 -0.02 1.55 -2.24 -1.26 -4.43 114.28 106.99 2wdn n THR 93 Ca -0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2wdn n THR 93 Cb 0.73 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.65 2wdn n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdn h ALA 94 N -2.22 0.09 0.00 6.98 0.00 -1.96 -1.62 119.26 120.53 2wdn h ALA 94 Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wdn h ALA 94 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wdn h ALA 94 CO 0.06 -0.21 0.13 1.63 0.00 0.00 0.00 179.25 180.86 2wdn n LYS 95 N -4.84 0.00 -0.07 0.00 5.02 -1.26 0.10 118.16 117.12 2wdn n LYS 95 Ca -0.07 0.23 -0.07 0.00 -2.02 0.00 0.00 58.31 56.38 2wdn n LYS 95 Cb 0.21 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 2wdn n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wdn n ASP 96 N -1.17 1.50 0.00 4.39 8.00 -0.98 -3.93 116.55 124.36 2wdn n ASP 96 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 2wdn n ASP 96 Cb 0.13 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 2wdn n ASP 96 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2wdn n ILE 97 N -4.01 0.00 -0.30 0.53 5.41 0.41 -1.12 119.36 120.28 2wdn n ILE 97 Ca -0.11 1.50 0.08 0.00 1.00 0.00 0.00 62.75 65.22 2wdn n ILE 97 Cb 0.40 -2.36 0.18 0.00 -0.71 0.00 0.00 39.64 37.15 2wdn n ILE 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdn h ALA 98 N -1.72 0.84 -0.86 -1.39 0.00 0.43 0.54 119.26 117.10 2wdn h ALA 98 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2wdn h ALA 98 Cb 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2wdn h ALA 98 CO 0.00 -0.46 0.45 1.49 0.00 0.00 0.00 179.25 180.73 2wdn h GLU 99 N 0.05 1.20 0.00 0.00 4.22 -1.54 0.55 114.58 119.05 2wdn h GLU 99 Ca 0.47 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.76 2wdn h GLU 99 Cb 0.85 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2wdn h GLU 99 CO -0.82 0.89 -0.42 0.00 -2.18 0.00 0.00 179.01 176.49 2wdn n ALA 100 N -2.42 3.19 -0.00 2.92 0.00 -0.12 -3.30 120.51 120.78 2wdn n ALA 100 Ca 0.09 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 2wdn n ALA 100 Cb 0.11 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 2wdn n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdn h LEU 101 N 0.00 0.16 -0.06 0.00 5.85 0.64 -0.47 115.31 121.43 2wdn h LEU 101 Ca 0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2wdn h LEU 101 Cb 0.55 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2wdn h LEU 101 CO 0.00 1.30 0.00 -1.20 -0.34 0.00 0.00 178.44 178.20 2wdn n SER 102 N -3.22 0.26 -0.07 1.25 7.64 0.19 -2.80 113.62 116.85 2wdn n SER 102 Ca -0.21 0.53 -0.16 0.00 1.01 0.00 0.00 58.87 60.05 2wdn n SER 102 Cb 1.05 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 2wdn n SER 102 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wdn n ARG 103 N -1.75 0.33 0.15 1.43 3.00 -1.21 -2.78 116.66 115.83 2wdn n ARG 103 Ca 0.06 0.14 0.16 0.00 -0.01 0.00 0.00 57.85 58.20 2wdn n ARG 103 Cb 0.32 -1.06 0.73 0.00 0.00 0.00 0.00 32.46 32.45 2wdn n ARG 103 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2wdn h GLN 104 N -0.57 0.00 0.00 5.56 4.15 -1.21 -3.26 115.11 119.78 2wdn h GLN 104 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2wdn h GLN 104 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2wdn h GLN 104 CO -0.21 0.00 -0.43 0.72 -1.93 0.00 0.00 178.83 176.98 2wdn n HIS 105 N -4.21 0.00 -1.17 3.99 8.25 -1.20 -5.08 115.22 115.80 2wdn n HIS 105 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2wdn n HIS 105 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2wdn n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdn n GLY 106 N 1.32 0.71 3.51 -1.41 0.00 -1.12 -5.03 105.19 103.17 2wdn n GLY 106 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 2wdn n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdn s VAL 107 N -2.53 2.71 -0.32 1.61 1.01 -1.16 -4.95 120.40 116.77 2wdn s VAL 107 Ca 0.00 -2.26 -0.19 0.00 0.00 0.00 0.00 61.98 59.54 2wdn s VAL 107 Cb 0.00 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2wdn s VAL 107 CO 0.00 -0.37 0.55 -0.89 0.00 0.00 0.00 175.10 174.39 2wdn s THR 108 N -2.40 5.00 -0.08 3.92 2.01 -1.26 -3.72 115.64 119.12 2wdn s THR 108 Ca 0.30 0.61 0.04 0.00 0.31 0.00 0.00 61.69 62.95 2wdn s THR 108 Cb -0.06 -3.94 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 2wdn s THR 108 CO 0.16 -0.13 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.11 2wdn s ILE 109 N 2.44 1.87 -0.35 1.82 1.09 -1.26 -5.07 121.20 121.75 2wdn s ILE 109 Ca 0.21 -0.93 -0.20 0.00 -1.10 0.00 0.00 60.65 58.63 2wdn s ILE 109 Cb -0.15 -1.61 0.00 0.00 -1.06 0.00 0.00 42.46 39.63 2wdn s ILE 109 CO 0.12 0.52 0.63 -0.62 -0.10 0.00 0.00 174.94 175.49 2wdn s ASP 110 N 0.24 6.42 -0.28 3.58 -1.08 -1.26 -4.92 116.67 119.36 2wdn s ASP 110 Ca -0.13 0.15 -0.04 0.00 -0.52 0.00 0.00 52.55 52.00 2wdn s ASP 110 Cb -0.16 -2.32 -0.12 0.00 -1.46 0.00 0.00 42.92 38.85 2wdn s ASP 110 CO 0.06 -0.58 2.23 -0.81 0.52 0.00 0.00 175.17 176.59 2wdn n PRO 111 N 6.01 1.44 0.00 4.34 -0.04 -1.26 -3.19 135.00 142.30 2wdn n PRO 111 Ca -0.01 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 2wdn n PRO 111 Cb 0.49 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2wdn n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wdn n LYS 112 N 3.17 0.00 0.00 0.54 5.02 -1.26 -4.89 118.16 120.74 2wdn n LYS 112 Ca 0.31 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.72 2wdn n LYS 112 Cb 0.40 0.00 0.57 0.00 -0.02 0.00 0.00 35.03 35.99 2wdn n LYS 112 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wdn n ARG 113 N -1.17 0.15 0.26 1.97 5.12 -1.19 -3.64 116.66 118.16 2wdn n ARG 113 Ca 0.00 0.06 0.10 0.00 -1.93 0.00 0.00 57.85 56.09 2wdn n ARG 113 Cb 0.00 -1.50 0.71 0.00 -1.16 0.00 0.00 32.46 30.51 2wdn n ARG 113 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2wdn h LEU 114 N 0.00 0.00 -2.54 0.55 3.38 -1.76 -3.02 115.31 111.92 2wdn h LEU 114 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wdn h LEU 114 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wdn h LEU 114 CO 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 178.44 178.11 2wdn n ALA 115 N -2.49 -3.13 -3.57 1.53 0.00 -1.24 -3.59 120.51 108.02 2wdn n ALA 115 Ca -0.03 0.53 -0.01 0.00 0.00 0.00 0.00 53.44 53.93 2wdn n ALA 115 Cb 0.11 -1.55 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 2wdn n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wdn s LEU 116 N -1.53 -0.82 0.00 0.00 2.96 -1.26 -4.67 118.68 113.35 2wdn s LEU 116 Ca 0.08 1.19 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 2wdn s LEU 116 Cb -0.02 2.02 0.00 0.00 0.50 0.00 0.00 46.19 48.68 2wdn s LEU 116 CO 0.46 -0.17 0.00 -1.84 -1.32 0.00 0.00 176.35 173.48 2wdn n GLU 117 N 4.80 0.00 -1.75 1.98 0.28 -1.26 -4.83 120.64 119.86 2wdn n GLU 117 Ca -0.14 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.45 2wdn n GLU 117 Cb 0.53 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.39 2wdn n GLU 117 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2wdn n LYS 118 N 0.00 2.62 0.00 3.44 0.00 -1.26 -4.85 118.16 118.12 2wdn n LYS 118 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 58.31 59.24 2wdn n LYS 118 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.35 2wdn n LYS 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2wdn n PRO 119 N 1.59 0.44 -1.30 1.64 -0.04 -1.26 -4.96 135.00 131.11 2wdn n PRO 119 Ca 0.07 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.70 2wdn n PRO 119 Cb 0.37 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 2wdn n PRO 119 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2wdn n ILE 120 N 0.71 0.00 0.00 0.52 5.41 -1.26 -1.77 119.36 122.97 2wdn n ILE 120 Ca 0.00 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.97 2wdn n ILE 120 Cb 0.20 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.47 2wdn n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wdn n LYS 121 N -4.02 0.00 0.00 0.38 3.00 -1.26 -4.57 118.16 111.69 2wdn n LYS 121 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2wdn n LYS 121 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 2wdn n LYS 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2wdn n GLU 122 N 0.00 0.00 -0.59 1.64 0.00 -1.26 -3.61 120.64 116.82 2wdn n GLU 122 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 2wdn n GLU 122 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 31.44 31.71 2wdn n GLU 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2wdn s LEU 123 N 0.00 -0.48 0.00 4.31 1.43 -1.19 -4.92 118.68 117.83 2wdn s LEU 123 Ca 0.00 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 2wdn s LEU 123 Cb 0.00 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.86 2wdn s LEU 123 CO 0.00 -4.95 0.00 0.61 0.23 0.00 0.00 176.35 172.24 2wdn n GLY 124 N 0.67 1.36 3.41 -3.19 0.00 -1.25 -5.03 105.19 101.15 2wdn n GLY 124 Ca 0.12 -1.97 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 2wdn n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdn s GLU 125 N -1.16 3.01 -0.19 1.61 0.41 -1.26 -2.67 118.70 118.44 2wdn s GLU 125 Ca 0.00 -1.22 -0.03 0.00 -0.41 0.00 0.00 54.97 53.31 2wdn s GLU 125 Cb 0.00 -4.11 -0.01 0.00 -1.78 0.00 0.00 34.13 28.23 2wdn s GLU 125 CO 0.00 -1.05 -0.07 0.71 -0.49 0.00 0.00 175.26 174.35 2wdn s TYR 126 N 1.88 2.92 0.40 1.61 4.12 0.15 -5.00 117.35 123.42 2wdn s TYR 126 Ca 0.07 -0.87 -0.04 0.00 0.02 0.00 0.00 57.07 56.24 2wdn s TYR 126 Cb -0.23 -2.02 -0.04 0.00 -1.52 0.00 0.00 41.96 38.15 2wdn s TYR 126 CO 0.08 -0.45 0.67 0.08 0.02 0.00 0.00 175.55 175.95 2wdn s VAL 127 N 1.13 4.97 0.00 0.71 1.01 -1.26 0.65 120.40 127.61 2wdn s VAL 127 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2wdn s VAL 127 Cb -0.14 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2wdn s VAL 127 CO -0.02 -0.62 0.00 0.18 0.00 0.00 0.00 175.10 174.64 2wdn n LEU 128 N -1.73 0.00 -3.65 3.92 4.77 0.13 -4.85 117.00 115.59 2wdn n LEU 128 Ca -0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 2wdn n LEU 128 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 2wdn n LEU 128 CO 0.50 0.00 0.76 0.28 -1.33 0.00 0.00 177.39 177.60 2wdn s THR 129 N 0.32 0.00 0.47 -5.08 -1.32 -1.24 -3.94 115.64 104.86 2wdn s THR 129 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2wdn s THR 129 Cb 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 2wdn s THR 129 CO 0.00 0.00 0.66 0.00 -2.21 0.00 0.00 174.62 173.07 2wdn n TYR 130 N 3.53 -2.58 -4.47 9.09 4.19 0.80 -3.74 117.16 123.99 2wdn n TYR 130 Ca -0.18 -1.59 -0.22 0.00 3.31 0.00 0.00 57.90 59.22 2wdn n TYR 130 Cb 0.57 -0.46 -0.11 0.00 0.49 0.00 0.00 39.34 39.84 2wdn n TYR 130 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2wdn s LYS 131 N -4.14 1.68 0.17 2.98 -0.14 -1.14 -4.44 119.74 114.71 2wdn s LYS 131 Ca 0.48 -1.93 0.01 0.00 -1.36 0.00 0.00 55.97 53.17 2wdn s LYS 131 Cb -0.04 -0.97 0.01 0.00 -1.68 0.00 0.00 37.83 35.16 2wdn s LYS 131 CO 0.31 -0.16 0.11 -0.35 -0.76 0.00 0.00 175.35 174.50 2wdn n PRO 132 N -0.72 1.29 0.00 -1.68 -0.04 -1.26 -4.89 135.00 127.70 2wdn n PRO 132 Ca -0.03 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 2wdn n PRO 132 Cb 0.67 0.14 0.00 0.00 -0.04 0.00 0.00 33.50 34.26 2wdn n PRO 132 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2wdn n HIS 133 N -0.84 0.00 -1.67 0.54 1.44 -1.26 -3.96 115.22 109.48 2wdn n HIS 133 Ca -0.01 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.24 2wdn n HIS 133 Cb 0.19 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.27 2wdn n HIS 133 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2wdn n PRO 134 N 8.03 2.05 -3.09 -1.40 -0.02 -1.26 -4.95 135.00 134.37 2wdn n PRO 134 Ca 0.00 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 62.12 2wdn n PRO 134 Cb 0.00 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 30.99 2wdn n PRO 134 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wdn n GLU 135 N 2.82 0.22 -4.57 -0.52 -0.00 -1.25 -4.92 120.64 112.41 2wdn n GLU 135 Ca 0.15 -1.64 -0.22 0.00 -0.00 0.00 0.00 57.16 55.45 2wdn n GLU 135 Cb 0.29 1.37 -0.15 0.00 -0.00 0.00 0.00 31.44 32.95 2wdn n GLU 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wdn s VAL 136 N -2.67 1.01 -0.41 3.84 0.11 -1.26 -4.95 120.40 116.07 2wdn s VAL 136 Ca 0.19 -0.52 -0.16 0.00 -2.93 0.00 0.00 61.98 58.56 2wdn s VAL 136 Cb 0.01 -0.86 0.02 0.00 -1.53 0.00 0.00 36.38 34.02 2wdn s VAL 136 CO 0.14 0.29 0.37 -2.16 -3.33 0.00 0.00 175.10 170.42 2wdn s PRO 137 N -0.12 3.05 -0.01 1.54 0.04 -1.26 -0.14 135.00 138.09 2wdn s PRO 137 Ca 0.02 -0.87 -0.15 0.00 0.04 0.00 0.00 61.00 60.04 2wdn s PRO 137 Cb -0.07 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 30.45 2wdn s PRO 137 CO 0.00 -0.80 0.41 0.42 0.04 0.00 0.00 177.00 177.07 2wdn s ILE 138 N 1.93 5.05 0.02 0.56 1.01 -1.25 -4.67 121.20 123.85 2wdn s ILE 138 Ca 0.09 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.42 2wdn s ILE 138 Cb -0.18 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 2wdn s ILE 138 CO 0.12 0.55 0.44 -1.58 0.00 0.00 0.00 174.94 174.48 2wdn s GLN 139 N -0.89 3.97 -0.05 2.79 0.74 -1.26 0.22 119.66 125.19 2wdn s GLN 139 Ca 0.24 0.48 0.01 0.00 0.05 0.00 0.00 55.36 56.13 2wdn s GLN 139 Cb -0.16 -3.21 0.02 0.00 1.10 0.00 0.00 33.01 30.76 2wdn s GLN 139 CO 0.13 0.67 -0.03 -1.17 -0.55 0.00 0.00 175.29 174.34 2wdn s LEU 140 N -1.13 1.20 0.19 3.68 2.96 0.21 -3.93 118.68 121.86 2wdn s LEU 140 Ca 0.25 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2wdn s LEU 140 Cb -0.17 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 2wdn s LEU 140 CO 0.15 -0.08 0.20 -0.54 -1.32 0.00 0.00 176.35 174.76 2wdn s LYS 141 N 1.08 3.06 -0.30 1.98 1.02 -1.22 -0.68 119.74 124.69 2wdn s LYS 141 Ca -0.09 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.01 2wdn s LYS 141 Cb -0.14 -2.71 0.10 0.00 -0.52 0.00 0.00 37.83 34.57 2wdn s LYS 141 CO -0.01 0.46 0.13 0.14 -0.92 0.00 0.00 175.35 175.15 2wdn s VAL 142 N -1.88 0.06 0.00 3.17 -7.23 -1.09 0.14 120.40 113.58 2wdn s VAL 142 Ca 0.32 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2wdn s VAL 142 Cb -0.10 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 35.77 2wdn s VAL 142 CO 0.25 -0.74 0.00 -0.24 -0.31 0.00 0.00 175.10 174.06 2wdn n SER 143 N 5.12 0.00 0.00 4.85 2.88 -0.82 -3.90 113.62 121.74 2wdn n SER 143 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2wdn n SER 143 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2wdn n SER 143 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2wdn n VAL 144 N 0.00 0.00 -0.93 2.46 0.24 -1.26 -2.49 118.33 116.34 2wdn n VAL 144 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 2wdn n VAL 144 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2wdn n VAL 144 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2wdn n VAL 145 N 0.00 0.00 0.00 3.34 0.31 -1.26 -4.81 118.33 115.91 2wdn n VAL 145 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2wdn n VAL 145 Cb 0.00 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 2wdn n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51